INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16667, 'Elisabethol', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]13[CH2:5][CH2:6][C@H:7]([CH3:19])[C:8]2=[C:13]1[C:12](O)([C:11]([CH3:20])=[C:10](O)[C:9]2=O)[C@@H:1]([CH:14]=[C:15]([CH3:17])[CH3:16])[CH2:2][C@@H:3]3[CH3:18]', '[H][C@]13CC[C@H](C)C2=C1C(O)(C(C)=C(O)C2=O)[C@@H](C=C(C)C)C[C@@H]3C', '[H][C@:41]13[CH2:26][CH2:24][C@H:43]([CH3:17])[C:134]2=[C:9999]1[C:72](O)([C:130]([CH3:11])=[C:156](O)[C:191]2=O)[C@@H:31]([CH:124]=[C:139]([CH3:18])[CH3:26])[CH2:38][C@@H:34]3[CH3:15]', '24 26 H 19.10 -12.48 C:17 16.66 -7.21 C:16 14.19 -7.21 C:20 14.19 -11.46 C:19 19.10 -15.68 C:18 20.34 -9.34 O 16.66 -15.68 O 14.19 -14.26 O 15.42 -10.76 C:14 15.42 -9.34 C:6 20.34 -13.58 C:5 20.34 -12.16 C:2 17.88 -9.34 C:15 15.42 -7.92 C:11 15.42 -12.16 C:9 16.66 -14.26 C:10 15.42 -13.58 C:8 17.88 -13.58 C:13 17.88 -12.16 C:7 19.10 -14.26 C:3 19.10 -10.05 C:1 16.66 -10.05 C:4 19.10 -11.46 C:12 16.66 -11.46 23 1 -2 2 14 1 3 14 1 4 15 1 20 5 -2 21 6 -2 7 16 2 8 17 1 9 24 1 10 14 2 22 10 -1 11 12 1 11 20 1 12 23 1 13 21 1 13 22 1 15 17 2 15 24 1 16 17 1 16 18 1 18 19 2 18 20 1 19 23 1 19 24 1 21 23 1 22 24 1', '24 26 H 19.10 -12.48 C 16.66 -7.21 C 14.19 -7.21 C 14.19 -11.46 C 19.10 -15.68 C 20.34 -9.34 O 16.66 -15.68 O 14.19 -14.26 O 15.42 -10.76 C 15.42 -9.34 C 20.34 -13.58 C 20.34 -12.16 C 17.88 -9.34 C 15.42 -7.92 C 15.42 -12.16 C 16.66 -14.26 C 15.42 -13.58 C 17.88 -13.58 C 17.88 -12.16 C 19.10 -14.26 C 19.10 -10.05 C 16.66 -10.05 C 19.10 -11.46 C 16.66 -11.46 23 1 -2 2 14 1 3 14 1 4 15 1 20 5 -2 21 6 -2 7 16 2 8 17 1 9 24 1 10 14 2 22 10 -1 11 12 1 11 20 1 12 23 1 13 21 1 13 22 1 15 17 2 15 24 1 16 17 1 16 18 1 18 19 2 18 20 1 19 23 1 19 24 1 21 23 1 22 24 1', '24 26 H 19.10 -12.48 C:18 16.66 -7.21 C:26 14.19 -7.21 C:11 14.19 -11.46 C:17 19.10 -15.68 C:15 20.34 -9.34 O 16.66 -15.68 O 14.19 -14.26 O 15.42 -10.76 C:124 15.42 -9.34 C:24 20.34 -13.58 C:26 20.34 -12.16 C:38 17.88 -9.34 C:139 15.42 -7.92 C:130 15.42 -12.16 C:191 16.66 -14.26 C:156 15.42 -13.58 C:134 17.88 -13.58 C 17.88 -12.16 C:43 19.10 -14.26 C:34 19.10 -10.05 C:31 16.66 -10.05 C:41 19.10 -11.46 C:72 16.66 -11.46 23 1 -2 2 14 1 3 14 1 4 15 1 20 5 -2 21 6 -2 7 16 2 8 17 1 9 24 1 10 14 2 22 10 -1 11 12 1 11 20 1 12 23 1 13 21 1 13 22 1 15 17 2 15 24 1 16 17 1 16 18 1 18 19 2 18 20 1 19 23 1 19 24 1 21 23 1 22 24 1', 'C20H28O3', 316.22, 'C', 'tt03_4215_2', 3391, '', 'Pseudopterogorgia elisabethae', '1', 47, NULL, NULL),
(16668, 'Pseudopterosin M', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@@H:103](O)[C@@H:102]1O[C:102001]([CH3:102002])=O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:17])[CH3:16])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:43]34[CH2:28][CH2:30][C@H:27]([CH3:22])[c:127]2[c:145](O)[c:146](O[C@@H:105]1O[CH2:63][C@@H:70](O)[C@@H:68](O)[C@@H:72]1O[C:172]([CH3:21])=O)[c:126]([CH3:11])[c:128]([c:134]23)[C@H:35]([CH:130]=[C:129]([CH3:17])[CH3:25])[CH2:39][C@@H:35]4[CH3:20]', '35 38 H 21.53 -11.41 C:17 19.08 -6.12 C:16 16.62 -6.12 C:102002 12.97 -16.68 C:20 16.62 -10.36 C:19 21.53 -14.58 C:18 22.76 -8.27 O 11.75 -14.58 O 19.08 -14.58 O 11.75 -10.36 O 11.75 -13.16 C:14 17.83 -8.27 C:6 22.76 -12.46 C:5 22.76 -11.07 C:105 14.18 -10.36 C:2 20.30 -8.27 O 15.41 -11.07 O 14.18 -14.58 O 16.62 -13.16 C:15 17.83 -6.83 C:102001 12.97 -15.28 C:11 17.83 -11.07 C:9 19.08 -13.16 C:10 17.83 -12.46 C:8 20.30 -12.46 C:12 19.08 -10.36 C:13 20.30 -11.07 C:7 21.53 -13.16 C:3 21.53 -8.98 C:104 12.97 -11.07 C:1 19.08 -8.98 C:103 12.97 -12.46 C:101 15.41 -12.46 C:102 14.18 -13.16 C:4 21.53 -10.36 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -2 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -1 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 32 1 32 34 1 33 34 1', '35 38 H 21.53 -11.41 C 19.08 -6.12 C 16.62 -6.12 C 12.97 -16.68 C 16.62 -10.36 C 21.53 -14.58 C 22.76 -8.27 O 11.75 -14.58 O 19.08 -14.58 O 11.75 -10.36 O 11.75 -13.16 C 17.83 -8.27 C 22.76 -12.46 C 22.76 -11.07 C 14.18 -10.36 C 20.30 -8.27 O 15.41 -11.07 O 14.18 -14.58 O 16.62 -13.16 C 17.83 -6.83 C 12.97 -15.28 C 17.83 -11.07 C 19.08 -13.16 C 17.83 -12.46 C 20.30 -12.46 C 19.08 -10.36 C 20.30 -11.07 C 21.53 -13.16 C 21.53 -8.98 C 12.97 -11.07 C 19.08 -8.98 C 12.97 -12.46 C 15.41 -12.46 C 14.18 -13.16 C 21.53 -10.36 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -2 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -1 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 32 1 32 34 1 33 34 1', '35 38 H 21.53 -11.41 C:17 19.08 -6.12 C:25 16.62 -6.12 C:21 12.97 -16.68 C:11 16.62 -10.36 C:22 21.53 -14.58 C:20 22.76 -8.27 O 11.75 -14.58 O 19.08 -14.58 O 11.75 -10.36 O 11.75 -13.16 C:130 17.83 -8.27 C:30 22.76 -12.46 C:28 22.76 -11.07 C:63 14.18 -10.36 C:39 20.30 -8.27 O 15.41 -11.07 O 14.18 -14.58 O 16.62 -13.16 C:129 17.83 -6.83 C:172 12.97 -15.28 C:126 17.83 -11.07 C:145 19.08 -13.16 C:146 17.83 -12.46 C:127 20.30 -12.46 C:128 19.08 -10.36 C:134 20.30 -11.07 C:27 21.53 -13.16 C:35 21.53 -8.98 C:70 12.97 -11.07 C:35 19.08 -8.98 C:68 12.97 -12.46 C:105 15.41 -12.46 C:72 14.18 -13.16 C:43 21.53 -10.36 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -2 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -1 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 32 1 32 34 1 33 34 1', 'C27H38O7', 474.293, 'C', 'tt03_4215_3', 3391, '', 'Pseudopterogorgia elisabethae', '1', 47, NULL, NULL),
(16669, 'Pseudopterosin N', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@@H:103](O[C:103001]([CH3:103002])=O)[C@@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1OC[C@@H](O)[C@@H](OC(C)=O)[C@@H]1O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:43]34[CH2:28][CH2:30][C@H:27]([CH3:23])[c:128]2[c:145](O)[c:146](O[C@@H:105]1O[CH2:63][C@@H:70](O)[C@@H:71](O[C:172]([CH3:21])=O)[C@@H:69]1O)[c:127]([CH3:11])[c:128]([c:134]23)[C@H:35]([CH:130]=[C:129]([CH3:25])[CH3:17])[CH2:39][C@@H:35]4[CH3:20]', '35 38 H 22.73 -12.48 C:16 17.81 -7.19 C:17 20.27 -7.19 C:103002 10.50 -14.21 C:20 17.81 -11.43 C:19 22.73 -15.65 C:18 23.96 -9.34 O 11.72 -12.12 O 20.27 -15.65 O 12.93 -11.43 O 15.36 -15.65 C:14 19.02 -9.34 C:6 23.96 -13.52 C:5 23.96 -12.12 C:105 15.36 -11.43 C:2 21.50 -9.34 O 16.59 -12.14 O 12.93 -14.21 O 17.81 -14.21 C:15 19.02 -7.90 C:103001 11.72 -13.52 C:11 19.02 -12.14 C:9 20.27 -14.21 C:10 19.02 -13.52 C:8 21.50 -13.52 C:12 20.27 -11.43 C:13 21.50 -12.12 C:7 22.73 -14.21 C:3 22.73 -10.05 C:104 14.14 -12.14 C:1 20.27 -10.05 C:102 15.36 -14.21 C:101 16.59 -13.52 C:103 14.14 -13.52 C:4 22.73 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -1 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -2 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 34 1 32 33 1 32 34 1', '35 38 H 22.73 -12.48 C 17.81 -7.19 C 20.27 -7.19 C 10.50 -14.21 C 17.81 -11.43 C 22.73 -15.65 C 23.96 -9.34 O 11.72 -12.12 O 20.27 -15.65 O 12.93 -11.43 O 15.36 -15.65 C 19.02 -9.34 C 23.96 -13.52 C 23.96 -12.12 C 15.36 -11.43 C 21.50 -9.34 O 16.59 -12.14 O 12.93 -14.21 O 17.81 -14.21 C 19.02 -7.90 C 11.72 -13.52 C 19.02 -12.14 C 20.27 -14.21 C 19.02 -13.52 C 21.50 -13.52 C 20.27 -11.43 C 21.50 -12.12 C 22.73 -14.21 C 22.73 -10.05 C 14.14 -12.14 C 20.27 -10.05 C 15.36 -14.21 C 16.59 -13.52 C 14.14 -13.52 C 22.73 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -1 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -2 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 34 1 32 33 1 32 34 1', '35 38 H 22.73 -12.48 C:25 17.81 -7.19 C:17 20.27 -7.19 C:21 10.50 -14.21 C:11 17.81 -11.43 C:23 22.73 -15.65 C:20 23.96 -9.34 O 11.72 -12.12 O 20.27 -15.65 O 12.93 -11.43 O 15.36 -15.65 C:130 19.02 -9.34 C:30 23.96 -13.52 C:28 23.96 -12.12 C:63 15.36 -11.43 C:39 21.50 -9.34 O 16.59 -12.14 O 12.93 -14.21 O 17.81 -14.21 C:129 19.02 -7.90 C:172 11.72 -13.52 C:127 19.02 -12.14 C:145 20.27 -14.21 C:146 19.02 -13.52 C:128 21.50 -13.52 C:128 20.27 -11.43 C:134 21.50 -12.12 C:27 22.73 -14.21 C:35 22.73 -10.05 C:70 14.14 -12.14 C:35 20.27 -10.05 C:69 15.36 -14.21 C:105 16.59 -13.52 C:71 14.14 -13.52 C:43 22.73 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -1 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -2 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 34 1 32 33 1 32 34 1', 'C27H38O7', 474.293, 'C', 'tt03_4215_4', 3391, '', 'Pseudopterogorgia elisabethae', '1', 47, NULL, NULL),
(16670, 'Pseudopterosin O', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[CH2:105][C@@H:104](O[C:104001]([CH3:104002])=O)[C@@H:103](O)[C@@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1OC[C@@H](OC(C)=O)[C@@H](O)[C@@H]1O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:43]34[CH2:28][CH2:30][C@H:27]([CH3:22])[c:127]2[c:145](O)[c:145](O[C@@H:105]1O[CH2:64][C@@H:71](O[C:172]([CH3:21])=O)[C@@H:70](O)[C@@H:70]1O)[c:127]([CH3:11])[c:128]([c:134]23)[C@H:35]([CH:130]=[C:129]([CH3:25])[CH3:17])[CH2:40][C@@H:35]4[CH3:20]', '35 38 H 22.11 -12.48 C:16 17.19 -7.19 C:17 19.65 -7.19 C:104002 11.11 -9.32 C:20 17.19 -11.43 C:19 22.11 -15.64 C:18 23.34 -9.32 O 13.52 -9.32 O 19.65 -15.64 O 12.31 -14.21 O 14.74 -15.64 C:14 18.40 -9.32 C:6 23.34 -13.52 C:5 23.34 -12.14 C:105 14.74 -11.43 C:2 20.88 -9.32 O 15.97 -12.14 O 12.31 -11.43 O 17.19 -14.21 C:15 18.40 -7.90 C:104001 12.31 -10.03 C:11 18.40 -12.14 C:9 19.65 -14.21 C:10 18.40 -13.52 C:8 20.88 -13.52 C:12 19.65 -11.43 C:13 20.88 -12.14 C:7 22.11 -14.21 C:3 22.11 -10.03 C:1 19.65 -10.03 C:103 13.52 -13.52 C:102 14.74 -14.21 C:104 13.52 -12.14 C:101 15.97 -13.52 C:4 22.11 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 31 10 -2 32 11 -1 12 20 2 30 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 33 1 16 29 1 16 30 1 17 34 1 18 21 1 33 18 -2 19 24 1 34 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 30 1 27 35 1 29 35 1 31 32 1 31 33 1 32 34 1', '35 38 H 22.11 -12.48 C 17.19 -7.19 C 19.65 -7.19 C 11.11 -9.32 C 17.19 -11.43 C 22.11 -15.64 C 23.34 -9.32 O 13.52 -9.32 O 19.65 -15.64 O 12.31 -14.21 O 14.74 -15.64 C 18.40 -9.32 C 23.34 -13.52 C 23.34 -12.14 C 14.74 -11.43 C 20.88 -9.32 O 15.97 -12.14 O 12.31 -11.43 O 17.19 -14.21 C 18.40 -7.90 C 12.31 -10.03 C 18.40 -12.14 C 19.65 -14.21 C 18.40 -13.52 C 20.88 -13.52 C 19.65 -11.43 C 20.88 -12.14 C 22.11 -14.21 C 22.11 -10.03 C 19.65 -10.03 C 13.52 -13.52 C 14.74 -14.21 C 13.52 -12.14 C 15.97 -13.52 C 22.11 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 31 10 -2 32 11 -1 12 20 2 30 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 33 1 16 29 1 16 30 1 17 34 1 18 21 1 33 18 -2 19 24 1 34 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 30 1 27 35 1 29 35 1 31 32 1 31 33 1 32 34 1', '35 38 H 22.11 -12.48 C:25 17.19 -7.19 C:17 19.65 -7.19 C:21 11.11 -9.32 C:11 17.19 -11.43 C:22 22.11 -15.64 C:20 23.34 -9.32 O 13.52 -9.32 O 19.65 -15.64 O 12.31 -14.21 O 14.74 -15.64 C:130 18.40 -9.32 C:30 23.34 -13.52 C:28 23.34 -12.14 C:64 14.74 -11.43 C:40 20.88 -9.32 O 15.97 -12.14 O 12.31 -11.43 O 17.19 -14.21 C:129 18.40 -7.90 C:172 12.31 -10.03 C:127 18.40 -12.14 C:145 19.65 -14.21 C:145 18.40 -13.52 C:127 20.88 -13.52 C:128 19.65 -11.43 C:134 20.88 -12.14 C:27 22.11 -14.21 C:35 22.11 -10.03 C:35 19.65 -10.03 C:70 13.52 -13.52 C:70 14.74 -14.21 C:71 13.52 -12.14 C:105 15.97 -13.52 C:43 22.11 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 31 10 -2 32 11 -1 12 20 2 30 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 33 1 16 29 1 16 30 1 17 34 1 18 21 1 33 18 -2 19 24 1 34 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 30 1 27 35 1 29 35 1 31 32 1 31 33 1 32 34 1', 'C27H38O7', 474.293, 'C', 'tt03_4215_5', 3391, '', 'Pseudopterogorgia elisabethae', '1', 47, NULL, NULL),
(16671, 'Pseudopterosin S', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[C@@H:105]([CH3:106])[C@@H:104](O)[C@@H:103](O)[C@@H:102]1O[C:102001]([CH3:102002])=O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:45]34[CH2:28][CH2:32][C@H:29]([CH3:23])[c:127]2[c:145](O)[c:143](O[C@@H:101]1O[C@@H:67]([CH3:16])[C@@H:71](O)[C@@H:69](O)[C@@H:72]1O[C:21]([CH3:171])=O)[c:127]([CH3:14])[c:137]([c:130]23)[C@H:37]([CH:131]=[C:128]([CH3:25])[CH3:18])[CH2:40][C@@H:34]4[CH3:20]', '36 39 H 21.44 -11.52 C:16 16.58 -6.14 C:17 19.02 -6.14 C:102002 12.91 -16.76 C:20 16.58 -10.47 C:19 21.44 -14.66 C:18 22.75 -8.33 C:106 14.11 -9.05 O 11.72 -14.66 O 19.02 -14.66 O 11.72 -10.45 O 11.72 -13.23 C:14 17.79 -8.33 C:6 22.75 -12.55 C:5 22.75 -11.18 C:2 20.22 -8.33 O 14.11 -14.66 O 16.58 -13.23 O 15.36 -11.20 C:15 17.79 -6.87 C:102001 12.91 -15.36 C:11 17.79 -11.18 C:9 19.02 -13.23 C:10 17.79 -12.55 C:8 20.22 -12.55 C:12 19.02 -10.47 C:13 20.22 -11.18 C:7 21.44 -13.23 C:3 21.44 -9.05 C:105 14.11 -10.47 C:1 19.02 -9.05 C:104 12.91 -11.18 C:103 12.91 -12.55 C:101 15.36 -12.55 C:102 14.11 -13.23 C:4 21.44 -10.45 36 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 30 8 -2 9 21 2 10 23 1 32 11 -2 33 12 -2 13 20 2 31 13 -2 14 15 1 14 28 1 15 36 1 16 29 1 16 31 1 17 21 1 35 17 -1 18 24 1 34 18 -1 19 30 1 19 34 1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 36 1 29 36 1 30 32 1 32 33 1 33 35 1 34 35 1', '36 39 H 21.44 -11.52 C 16.58 -6.14 C 19.02 -6.14 C 12.91 -16.76 C 16.58 -10.47 C 21.44 -14.66 C 22.75 -8.33 C 14.11 -9.05 O 11.72 -14.66 O 19.02 -14.66 O 11.72 -10.45 O 11.72 -13.23 C 17.79 -8.33 C 22.75 -12.55 C 22.75 -11.18 C 20.22 -8.33 O 14.11 -14.66 O 16.58 -13.23 O 15.36 -11.20 C 17.79 -6.87 C 12.91 -15.36 C 17.79 -11.18 C 19.02 -13.23 C 17.79 -12.55 C 20.22 -12.55 C 19.02 -10.47 C 20.22 -11.18 C 21.44 -13.23 C 21.44 -9.05 C 14.11 -10.47 C 19.02 -9.05 C 12.91 -11.18 C 12.91 -12.55 C 15.36 -12.55 C 14.11 -13.23 C 21.44 -10.45 36 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 30 8 -2 9 21 2 10 23 1 32 11 -2 33 12 -2 13 20 2 31 13 -2 14 15 1 14 28 1 15 36 1 16 29 1 16 31 1 17 21 1 35 17 -1 18 24 1 34 18 -1 19 30 1 19 34 1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 36 1 29 36 1 30 32 1 32 33 1 33 35 1 34 35 1', '36 39 H 21.44 -11.52 C:25 16.58 -6.14 C:18 19.02 -6.14 C:171 12.91 -16.76 C:14 16.58 -10.47 C:23 21.44 -14.66 C:20 22.75 -8.33 C:16 14.11 -9.05 O 11.72 -14.66 O 19.02 -14.66 O 11.72 -10.45 O 11.72 -13.23 C:131 17.79 -8.33 C:32 22.75 -12.55 C:28 22.75 -11.18 C:40 20.22 -8.33 O 14.11 -14.66 O 16.58 -13.23 O 15.36 -11.20 C:128 17.79 -6.87 C:21 12.91 -15.36 C:127 17.79 -11.18 C:145 19.02 -13.23 C:143 17.79 -12.55 C:127 20.22 -12.55 C:137 19.02 -10.47 C:130 20.22 -11.18 C:29 21.44 -13.23 C:34 21.44 -9.05 C:67 14.11 -10.47 C:37 19.02 -9.05 C:71 12.91 -11.18 C:69 12.91 -12.55 C:101 15.36 -12.55 C:72 14.11 -13.23 C:45 21.44 -10.45 36 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 30 8 -2 9 21 2 10 23 1 32 11 -2 33 12 -2 13 20 2 31 13 -2 14 15 1 14 28 1 15 36 1 16 29 1 16 31 1 17 21 1 35 17 -1 18 24 1 34 18 -1 19 30 1 19 34 1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 36 1 29 36 1 30 32 1 32 33 1 33 35 1 34 35 1', 'C28H40O7', 488.303, 'C', 'tt04_10627_4', 4291, '', '', '1', 47, NULL, NULL),
(16672, 'Pseudopterosin T', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@@H:103](O)[C@@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:45]34[CH2:28][CH2:32][C@H:28]([CH3:23])[c:127]2[c:145](O)[c:143](O[C@@H:104]1O[CH2:64][C@@H:69](O)[C@@H:70](O)[C@@H:70]1O)[c:128]([CH3:14])[c:137]([c:129]23)[C@H:37]([CH:131]=[C:128]([CH3:25])[CH3:18])[CH2:40][C@@H:34]4[CH3:20]', '32 35 H 21.47 -12.49 C:16 16.61 -7.21 C:17 19.04 -7.21 C:20 16.61 -11.46 C:19 21.47 -15.66 C:18 22.75 -9.35 O 19.04 -15.66 O 11.74 -11.44 O 11.74 -14.25 O 14.18 -15.66 C:14 17.81 -9.35 C:6 22.75 -13.59 C:105 14.18 -11.46 C:5 22.75 -12.17 C:2 20.25 -9.35 O 15.41 -12.19 O 16.61 -14.25 C:15 17.81 -7.92 C:11 17.81 -12.17 C:9 19.04 -14.25 C:10 17.81 -13.61 C:8 20.25 -13.57 C:12 19.04 -11.46 C:13 20.25 -12.17 C:7 21.47 -14.25 C:3 21.47 -10.06 C:104 12.95 -12.17 C:1 19.04 -10.06 C:103 12.95 -13.57 C:102 14.18 -14.25 C:101 15.41 -13.59 C:4 21.47 -11.44 32 1 -2 2 18 1 3 18 1 4 19 1 25 5 -2 26 6 -2 7 20 1 27 8 -2 29 9 -2 30 10 -1 11 18 2 28 11 -2 12 14 1 12 25 1 13 16 1 13 27 1 14 32 1 15 26 1 15 28 1 16 31 1 17 21 1 31 17 -1 19 21 1 19 23 2 20 21 2 20 22 1 22 24 2 22 25 1 23 24 1 23 28 1 24 32 1 26 32 1 27 29 1 29 30 1 30 31 1', '32 35 H 21.47 -12.49 C 16.61 -7.21 C 19.04 -7.21 C 16.61 -11.46 C 21.47 -15.66 C 22.75 -9.35 O 19.04 -15.66 O 11.74 -11.44 O 11.74 -14.25 O 14.18 -15.66 C 17.81 -9.35 C 22.75 -13.59 C 14.18 -11.46 C 22.75 -12.17 C 20.25 -9.35 O 15.41 -12.19 O 16.61 -14.25 C 17.81 -7.92 C 17.81 -12.17 C 19.04 -14.25 C 17.81 -13.61 C 20.25 -13.57 C 19.04 -11.46 C 20.25 -12.17 C 21.47 -14.25 C 21.47 -10.06 C 12.95 -12.17 C 19.04 -10.06 C 12.95 -13.57 C 14.18 -14.25 C 15.41 -13.59 C 21.47 -11.44 32 1 -2 2 18 1 3 18 1 4 19 1 25 5 -2 26 6 -2 7 20 1 27 8 -2 29 9 -2 30 10 -1 11 18 2 28 11 -2 12 14 1 12 25 1 13 16 1 13 27 1 14 32 1 15 26 1 15 28 1 16 31 1 17 21 1 31 17 -1 19 21 1 19 23 2 20 21 2 20 22 1 22 24 2 22 25 1 23 24 1 23 28 1 24 32 1 26 32 1 27 29 1 29 30 1 30 31 1', '32 35 H 21.47 -12.49 C:25 16.61 -7.21 C:18 19.04 -7.21 C:14 16.61 -11.46 C:23 21.47 -15.66 C:20 22.75 -9.35 O 19.04 -15.66 O 11.74 -11.44 O 11.74 -14.25 O 14.18 -15.66 C:131 17.81 -9.35 C:32 22.75 -13.59 C:64 14.18 -11.46 C:28 22.75 -12.17 C:40 20.25 -9.35 O 15.41 -12.19 O 16.61 -14.25 C:128 17.81 -7.92 C:128 17.81 -12.17 C:145 19.04 -14.25 C:143 17.81 -13.61 C:127 20.25 -13.57 C:137 19.04 -11.46 C:129 20.25 -12.17 C:28 21.47 -14.25 C:34 21.47 -10.06 C:69 12.95 -12.17 C:37 19.04 -10.06 C:70 12.95 -13.57 C:70 14.18 -14.25 C:104 15.41 -13.59 C:45 21.47 -11.44 32 1 -2 2 18 1 3 18 1 4 19 1 25 5 -2 26 6 -2 7 20 1 27 8 -2 29 9 -2 30 10 -1 11 18 2 28 11 -2 12 14 1 12 25 1 13 16 1 13 27 1 14 32 1 15 26 1 15 28 1 16 31 1 17 21 1 31 17 -1 19 21 1 19 23 2 20 21 2 20 22 1 22 24 2 22 25 1 23 24 1 23 28 1 24 32 1 26 32 1 27 29 1 29 30 1 30 31 1', 'C25H36O6', 432.272, 'C', 'tt04_10627_5', 4291, '', '', '1', 47, NULL, NULL),
(16673, 'Pseudopterosin U', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[CH2:105][C@@H:104](O[C:104001]([CH3:104002])=O)[C@@H:103](O)[C@@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1OC[C@@H](OC(C)=O)[C@@H](O)[C@@H]1O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:45]34[CH2:28][CH2:32][C@H:29]([CH3:23])[c:127]2[c:145](O)[c:143](O[C@@H:103]1O[CH2:62][C@@H:72](O[C:171]([CH3:21])=O)[C@@H:68](O)[C@@H:70]1O)[c:128]([CH3:14])[c:137]([c:129]23)[C@H:37]([CH:131]=[C:128]([CH3:25])[CH3:18])[CH2:40][C@@H:34]4[CH3:20]', '35 38 H 22.07 -12.48 C:16 17.21 -7.20 C:17 19.64 -7.20 C:104002 11.17 -9.30 C:20 17.21 -11.43 C:19 22.07 -15.65 C:18 23.34 -9.30 O 13.56 -9.30 O 19.64 -15.65 O 12.35 -14.24 O 14.79 -15.65 C:14 18.41 -9.30 C:6 23.34 -13.58 C:5 23.34 -12.16 C:105 14.79 -11.43 C:2 20.85 -9.30 O 16.01 -12.18 O 12.35 -11.43 O 17.21 -14.24 C:15 18.41 -7.90 C:104001 12.35 -10.03 C:11 18.41 -12.18 C:9 19.64 -14.24 C:10 18.41 -13.60 C:8 20.85 -13.56 C:12 19.64 -11.43 C:13 20.85 -12.16 C:7 22.07 -14.24 C:3 22.07 -10.03 C:1 19.64 -10.03 C:103 13.56 -13.56 C:102 14.79 -14.24 C:104 13.56 -12.16 C:101 16.01 -13.58 C:4 22.07 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 31 10 -2 32 11 -1 12 20 2 30 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 33 1 16 29 1 16 30 1 17 34 1 18 21 1 33 18 -2 19 24 1 34 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 30 1 27 35 1 29 35 1 31 32 1 31 33 1 32 34 1', '35 38 H 22.07 -12.48 C 17.21 -7.20 C 19.64 -7.20 C 11.17 -9.30 C 17.21 -11.43 C 22.07 -15.65 C 23.34 -9.30 O 13.56 -9.30 O 19.64 -15.65 O 12.35 -14.24 O 14.79 -15.65 C 18.41 -9.30 C 23.34 -13.58 C 23.34 -12.16 C 14.79 -11.43 C 20.85 -9.30 O 16.01 -12.18 O 12.35 -11.43 O 17.21 -14.24 C 18.41 -7.90 C 12.35 -10.03 C 18.41 -12.18 C 19.64 -14.24 C 18.41 -13.60 C 20.85 -13.56 C 19.64 -11.43 C 20.85 -12.16 C 22.07 -14.24 C 22.07 -10.03 C 19.64 -10.03 C 13.56 -13.56 C 14.79 -14.24 C 13.56 -12.16 C 16.01 -13.58 C 22.07 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 31 10 -2 32 11 -1 12 20 2 30 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 33 1 16 29 1 16 30 1 17 34 1 18 21 1 33 18 -2 19 24 1 34 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 30 1 27 35 1 29 35 1 31 32 1 31 33 1 32 34 1', '35 38 H 22.07 -12.48 C:25 17.21 -7.20 C:18 19.64 -7.20 C:21 11.17 -9.30 C:14 17.21 -11.43 C:23 22.07 -15.65 C:20 23.34 -9.30 O 13.56 -9.30 O 19.64 -15.65 O 12.35 -14.24 O 14.79 -15.65 C:131 18.41 -9.30 C:32 23.34 -13.58 C:28 23.34 -12.16 C:62 14.79 -11.43 C:40 20.85 -9.30 O 16.01 -12.18 O 12.35 -11.43 O 17.21 -14.24 C:128 18.41 -7.90 C:171 12.35 -10.03 C:128 18.41 -12.18 C:145 19.64 -14.24 C:143 18.41 -13.60 C:127 20.85 -13.56 C:137 19.64 -11.43 C:129 20.85 -12.16 C:29 22.07 -14.24 C:34 22.07 -10.03 C:37 19.64 -10.03 C:68 13.56 -13.56 C:70 14.79 -14.24 C:72 13.56 -12.16 C:103 16.01 -13.58 C:45 22.07 -11.43 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 31 10 -2 32 11 -1 12 20 2 30 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 33 1 16 29 1 16 30 1 17 34 1 18 21 1 33 18 -2 19 24 1 34 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 30 1 27 35 1 29 35 1 31 32 1 31 33 1 32 34 1', 'C27H38O7', 474.293, 'C', 'tt04_10627_6', 4291, '', '', '1', 47, NULL, NULL),
(16674, 'Pseudopterosin V', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@@H:103](O[C:103001]([CH3:103002])=O)[C@@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:17])[CH3:16])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@@H]1OC[C@@H](O)[C@@H](OC(C)=O)[C@@H]1O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:45]34[CH2:28][CH2:32][C@H:29]([CH3:23])[c:127]2[c:145](O)[c:143](O[C@@H:103]1O[CH2:64][C@@H:68](O)[C@@H:73](O[C:172]([CH3:21])=O)[C@@H:68]1O)[c:128]([CH3:14])[c:137]([c:129]23)[C@H:37]([CH:131]=[C:128]([CH3:18])[CH3:26])[CH2:40][C@@H:34]4[CH3:20]', '35 38 H 22.67 -12.51 C:17 20.23 -7.21 C:16 17.80 -7.21 C:103002 10.52 -14.24 C:20 17.80 -11.46 C:19 22.67 -15.68 C:18 23.95 -9.32 O 11.74 -12.16 O 20.23 -15.68 O 12.94 -11.46 O 15.38 -15.68 C:14 19.00 -9.32 C:6 23.95 -13.56 C:5 23.95 -12.16 C:105 15.38 -11.46 C:2 21.44 -9.32 O 16.61 -12.21 O 12.94 -14.24 O 17.80 -14.24 C:15 19.00 -7.92 C:103001 11.74 -13.56 C:11 19.00 -12.21 C:9 20.23 -14.24 C:10 19.00 -13.56 C:8 21.44 -13.56 C:12 20.23 -11.46 C:13 21.44 -12.19 C:7 22.67 -14.24 C:3 22.67 -10.05 C:104 14.15 -12.19 C:1 20.23 -10.05 C:102 15.38 -14.24 C:101 16.61 -13.56 C:103 14.15 -13.56 C:4 22.67 -11.46 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -1 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -2 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 34 1 32 33 1 32 34 1', '35 38 H 22.67 -12.51 C 20.23 -7.21 C 17.80 -7.21 C 10.52 -14.24 C 17.80 -11.46 C 22.67 -15.68 C 23.95 -9.32 O 11.74 -12.16 O 20.23 -15.68 O 12.94 -11.46 O 15.38 -15.68 C 19.00 -9.32 C 23.95 -13.56 C 23.95 -12.16 C 15.38 -11.46 C 21.44 -9.32 O 16.61 -12.21 O 12.94 -14.24 O 17.80 -14.24 C 19.00 -7.92 C 11.74 -13.56 C 19.00 -12.21 C 20.23 -14.24 C 19.00 -13.56 C 21.44 -13.56 C 20.23 -11.46 C 21.44 -12.19 C 22.67 -14.24 C 22.67 -10.05 C 14.15 -12.19 C 20.23 -10.05 C 15.38 -14.24 C 16.61 -13.56 C 14.15 -13.56 C 22.67 -11.46 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -1 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -2 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 34 1 32 33 1 32 34 1', '35 38 H 22.67 -12.51 C:18 20.23 -7.21 C:26 17.80 -7.21 C:21 10.52 -14.24 C:14 17.80 -11.46 C:23 22.67 -15.68 C:20 23.95 -9.32 O 11.74 -12.16 O 20.23 -15.68 O 12.94 -11.46 O 15.38 -15.68 C:131 19.00 -9.32 C:32 23.95 -13.56 C:28 23.95 -12.16 C:64 15.38 -11.46 C:40 21.44 -9.32 O 16.61 -12.21 O 12.94 -14.24 O 17.80 -14.24 C:128 19.00 -7.92 C:172 11.74 -13.56 C:128 19.00 -12.21 C:145 20.23 -14.24 C:143 19.00 -13.56 C:127 21.44 -13.56 C:137 20.23 -11.46 C:129 21.44 -12.19 C:29 22.67 -14.24 C:34 22.67 -10.05 C:68 14.15 -12.19 C:37 20.23 -10.05 C:68 15.38 -14.24 C:103 16.61 -13.56 C:73 14.15 -13.56 C:45 22.67 -11.46 35 1 -2 2 20 1 3 20 1 4 21 1 5 22 1 28 6 -2 29 7 -2 8 21 2 9 23 1 30 10 -2 32 11 -1 12 20 2 31 12 -2 13 14 1 13 28 1 14 35 1 15 17 1 15 30 1 16 29 1 16 31 1 17 33 1 18 21 1 34 18 -2 19 24 1 33 19 -1 22 24 1 22 26 2 23 24 2 23 25 1 25 27 2 25 28 1 26 27 1 26 31 1 27 35 1 29 35 1 30 34 1 32 33 1 32 34 1', 'C27H38O7', 474.293, 'C', 'tt04_10627_7', 4291, '', '', '1', 47, NULL, NULL),
(16675, 'Elisabetholide', '', 'Terpenoids', 'Diterpenoids', 'Elisabethanes', '[H][C@:6]13[CH2:5][CH2:4][C@H:3]([CH3:18])[C@:2]2([C:17](=O)O[CH2:17001][CH3:17002])O[C:16](=O)[C@@:15]([CH3:20])(O)[C:14](=O)[C@:1]12[C@H:9]([CH:10]=[C:11]([CH3:13])[CH3:12])[CH2:8][C@@H:7]3[CH3:19]', '[H][C@]13CC[C@H](C)[C@]2(C(=O)OCC)OC(=O)[C@@](C)(O)C(=O)[C@]12[C@H](C=C(C)C)C[C@@H]3C', '[H][C@:50]13[CH2:26][CH2:26][C@H:38]([CH3:16])[C@:93]2([C:174](=O)O[CH2:64][CH3:14])O[C:172](=O)[C@@:84]([CH3:24])(O)[C:210](=O)[C@:62]12[C@H:46]([CH:123]=[C:134]([CH3:18])[CH3:26])[CH2:42][C@@H:42]3[CH3:18]', '29 31 H 19.48 -10.69 C:17002 15.81 -16.07 C:13 16.03 -6.76 C:12 13.79 -7.80 C:18 19.48 -13.96 C:19 20.13 -7.23 C:20 15.11 -9.22 O 14.56 -12.54 O 19.10 -14.36 O 17.03 -11.09 O 14.41 -10.42 C:10 15.81 -9.22 C:17001 17.03 -15.36 C:4 20.69 -11.85 C:5 20.69 -10.42 C:8 17.78 -8.16 O 17.03 -13.96 O 17.03 -12.54 C:11 15.19 -7.93 C:16 15.81 -11.85 C:17 18.24 -13.24 C:14 17.03 -9.69 C:3 19.48 -12.54 C:7 19.19 -8.30 C:9 17.21 -9.37 C:15 15.81 -10.42 C:6 19.48 -9.69 C:2 18.24 -11.85 C:1 18.24 -10.42 27 1 -2 2 13 1 3 19 1 4 19 1 23 5 -2 24 6 -2 26 7 -2 8 20 2 9 21 2 10 22 2 26 11 -1 12 19 2 25 12 -2 13 17 1 14 15 1 14 23 1 15 27 1 16 24 1 16 25 1 17 21 1 18 20 1 18 28 1 20 26 1 28 21 -1 22 26 1 29 22 -2 23 28 1 24 27 1 25 29 1 27 29 1 28 29 1', '29 31 H 19.48 -10.69 C 15.81 -16.07 C 16.03 -6.76 C 13.79 -7.80 C 19.48 -13.96 C 20.13 -7.23 C 15.11 -9.22 O 14.56 -12.54 O 19.10 -14.36 O 17.03 -11.09 O 14.41 -10.42 C 15.81 -9.22 C 17.03 -15.36 C 20.69 -11.85 C 20.69 -10.42 C 17.78 -8.16 O 17.03 -13.96 O 17.03 -12.54 C 15.19 -7.93 C 15.81 -11.85 C 18.24 -13.24 C 17.03 -9.69 C 19.48 -12.54 C 19.19 -8.30 C 17.21 -9.37 C 15.81 -10.42 C 19.48 -9.69 C 18.24 -11.85 C 18.24 -10.42 27 1 -2 2 13 1 3 19 1 4 19 1 23 5 -2 24 6 -2 26 7 -2 8 20 2 9 21 2 10 22 2 26 11 -1 12 19 2 25 12 -2 13 17 1 14 15 1 14 23 1 15 27 1 16 24 1 16 25 1 17 21 1 18 20 1 18 28 1 20 26 1 28 21 -1 22 26 1 29 22 -2 23 28 1 24 27 1 25 29 1 27 29 1 28 29 1', '29 31 H 19.48 -10.69 C:14 15.81 -16.07 C:18 16.03 -6.76 C:26 13.79 -7.80 C:16 19.48 -13.96 C:18 20.13 -7.23 C:24 15.11 -9.22 O 14.56 -12.54 O 19.10 -14.36 O 17.03 -11.09 O 14.41 -10.42 C:123 15.81 -9.22 C:64 17.03 -15.36 C:26 20.69 -11.85 C:26 20.69 -10.42 C:42 17.78 -8.16 O 17.03 -13.96 O 17.03 -12.54 C:134 15.19 -7.93 C:172 15.81 -11.85 C:174 18.24 -13.24 C:210 17.03 -9.69 C:38 19.48 -12.54 C:42 19.19 -8.30 C:46 17.21 -9.37 C:84 15.81 -10.42 C:50 19.48 -9.69 C:93 18.24 -11.85 C:62 18.24 -10.42 27 1 -2 2 13 1 3 19 1 4 19 1 23 5 -2 24 6 -2 26 7 -2 8 20 2 9 21 2 10 22 2 26 11 -1 12 19 2 25 12 -2 13 17 1 14 15 1 14 23 1 15 27 1 16 24 1 16 25 1 17 21 1 18 20 1 18 28 1 20 26 1 28 21 -1 22 26 1 29 22 -2 23 28 1 24 27 1 25 29 1 27 29 1 28 29 1', 'C22H32O6', 392.24, 'C', 'ttl00_5177_3', 4181, '', '', '1', 47, NULL, NULL),
(16676, 'Amphilectolide', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]13[CH2:5][CH2:6][C@H:7]([CH3:19])[C:8]2=[C:13]1[C@@:12]([H])(O[C:9]2=O)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]3[CH3:18]', '[H][C@]13CC[C@H](C)C2=C1[C@@]([H])(OC2=O)[C@H](C=C(C)C)C[C@@H]3C', '[H][C@:41]13[CH2:27][CH2:31][C@H:27]([CH3:18])[C:128]2=[C:165]1[C@@:84]([H])(O[C:173]2=O)[C@H:44]([CH:125]=[C:135]([CH3:26])[CH3:18])[CH2:38][C@@H:40]3[CH3:19]', '21 23 H 19.12 -12.45 H 15.99 -11.13 C:16 14.14 -7.08 C:17 16.63 -7.08 C:19 19.12 -15.73 C:18 20.38 -9.25 O 16.09 -15.33 C:14 15.37 -9.25 C:6 20.38 -13.56 C:5 20.38 -12.13 C:2 17.88 -9.25 O 15.69 -12.85 C:15 15.37 -7.79 C:9 16.53 -14.00 C:8 17.88 -13.56 C:13 17.88 -12.13 C:7 19.12 -14.29 C:3 19.12 -9.98 C:1 16.63 -9.98 C:4 19.12 -11.42 C:12 16.63 -11.42 20 1 -2 21 2 -2 3 13 1 4 13 1 17 5 -2 18 6 -2 7 14 2 8 13 2 19 8 -2 9 10 1 9 17 1 10 20 1 11 18 1 11 19 1 12 14 1 12 21 1 14 15 1 15 16 2 15 17 1 16 20 1 16 21 1 18 20 1 19 21 1', '21 23 H 19.12 -12.45 H 15.99 -11.13 C 14.14 -7.08 C 16.63 -7.08 C 19.12 -15.73 C 20.38 -9.25 O 16.09 -15.33 C 15.37 -9.25 C 20.38 -13.56 C 20.38 -12.13 C 17.88 -9.25 O 15.69 -12.85 C 15.37 -7.79 C 16.53 -14.00 C 17.88 -13.56 C 17.88 -12.13 C 19.12 -14.29 C 19.12 -9.98 C 16.63 -9.98 C 19.12 -11.42 C 16.63 -11.42 20 1 -2 21 2 -2 3 13 1 4 13 1 17 5 -2 18 6 -2 7 14 2 8 13 2 19 8 -2 9 10 1 9 17 1 10 20 1 11 18 1 11 19 1 12 14 1 12 21 1 14 15 1 15 16 2 15 17 1 16 20 1 16 21 1 18 20 1 19 21 1', '21 23 H 19.12 -12.45 H 15.99 -11.13 C:26 14.14 -7.08 C:18 16.63 -7.08 C:18 19.12 -15.73 C:19 20.38 -9.25 O 16.09 -15.33 C:125 15.37 -9.25 C:31 20.38 -13.56 C:27 20.38 -12.13 C:38 17.88 -9.25 O 15.69 -12.85 C:135 15.37 -7.79 C:173 16.53 -14.00 C:128 17.88 -13.56 C:165 17.88 -12.13 C:27 19.12 -14.29 C:40 19.12 -9.98 C:44 16.63 -9.98 C:41 19.12 -11.42 C:84 16.63 -11.42 20 1 -2 21 2 -2 3 13 1 4 13 1 17 5 -2 18 6 -2 7 14 2 8 13 2 19 8 -2 9 10 1 9 17 1 10 20 1 11 18 1 11 19 1 12 14 1 12 21 1 14 15 1 15 16 2 15 17 1 16 20 1 16 21 1 18 20 1 19 21 1', 'C17H24O2', 260.197, 'C', 'ttl00_5177_4', 4181, '', '3', '1', 47, NULL, NULL),
(16677, 'Ileabethin', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]24[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]1[c:9](O)[c:10](O[CH3:10001])[c:11]([CH3:20])[c:12]([c:13]12)[C@:2]3([CH:1]=[CH:14][C@@:15]([CH3:16])([CH3:17])O3)[C@@H:3]4[CH3:18]', '[H][C@]24CC[C@H](C)c1c(O)c(OC)c(C)c(c12)[C@]3(C=C[C@@](C)(C)O3)[C@@H]4C', '[H][C@:46]24[CH2:28][CH2:34][C@H:29]([CH3:21])[c:123]1[c:147](O)[c:144](O[CH3:61])[c:133]([CH3:12])[c:125]([c:142]12)[C@:100]3([CH:130]=[CH:136][C@@:87]([CH3:29])([CH3:29])O3)[C@@H:52]4[CH3:12]', '25 28 H 19.65 -12.70 C:10001 13.58 -13.73 C:20 14.76 -11.71 C:19 19.65 -15.87 C:18 20.16 -9.23 C:16 17.35 -6.94 C:17 15.95 -7.05 O 17.21 -15.92 C:14 15.69 -9.11 C:1 16.23 -10.41 C:6 20.88 -13.79 C:5 20.88 -12.40 O 14.76 -14.46 O 17.95 -8.93 C:11 15.99 -12.40 C:9 17.21 -14.52 C:10 15.99 -13.79 C:8 18.43 -13.79 C:12 17.21 -11.71 C:13 18.43 -12.40 C:7 19.65 -14.52 C:3 19.24 -10.29 C:15 16.75 -8.20 C:4 19.65 -11.71 C:2 17.62 -10.29 24 1 -2 2 13 1 3 15 1 21 4 -2 22 5 -2 23 6 -2 23 7 -1 8 16 1 9 10 2 9 23 1 25 10 -2 11 12 1 11 21 1 12 24 1 13 17 1 14 23 1 25 14 -1 15 17 2 15 19 1 16 17 1 16 18 2 18 20 1 18 21 1 19 20 2 19 25 1 20 24 1 22 24 1 22 25 1', '25 28 H 19.65 -12.70 C 13.58 -13.73 C 14.76 -11.71 C 19.65 -15.87 C 20.16 -9.23 C 17.35 -6.94 C 15.95 -7.05 O 17.21 -15.92 C 15.69 -9.11 C 16.23 -10.41 C 20.88 -13.79 C 20.88 -12.40 O 14.76 -14.46 O 17.95 -8.93 C 15.99 -12.40 C 17.21 -14.52 C 15.99 -13.79 C 18.43 -13.79 C 17.21 -11.71 C 18.43 -12.40 C 19.65 -14.52 C 19.24 -10.29 C 16.75 -8.20 C 19.65 -11.71 C 17.62 -10.29 24 1 -2 2 13 1 3 15 1 21 4 -2 22 5 -2 23 6 -2 23 7 -1 8 16 1 9 10 2 9 23 1 25 10 -2 11 12 1 11 21 1 12 24 1 13 17 1 14 23 1 25 14 -1 15 17 2 15 19 1 16 17 1 16 18 2 18 20 1 18 21 1 19 20 2 19 25 1 20 24 1 22 24 1 22 25 1', '25 28 H 19.65 -12.70 C:61 13.58 -13.73 C:12 14.76 -11.71 C:21 19.65 -15.87 C:12 20.16 -9.23 C:29 17.35 -6.94 C:29 15.95 -7.05 O 17.21 -15.92 C:136 15.69 -9.11 C:130 16.23 -10.41 C:34 20.88 -13.79 C:28 20.88 -12.40 O 14.76 -14.46 O 17.95 -8.93 C:133 15.99 -12.40 C:147 17.21 -14.52 C:144 15.99 -13.79 C:123 18.43 -13.79 C:125 17.21 -11.71 C:142 18.43 -12.40 C:29 19.65 -14.52 C:52 19.24 -10.29 C:87 16.75 -8.20 C:46 19.65 -11.71 C:100 17.62 -10.29 24 1 -2 2 13 1 3 15 1 21 4 -2 22 5 -2 23 6 -2 23 7 -1 8 16 1 9 10 2 9 23 1 25 10 -2 11 12 1 11 21 1 12 24 1 13 17 1 14 23 1 25 14 -1 15 17 2 15 19 1 16 17 1 16 18 2 18 20 1 18 21 1 19 20 2 19 25 1 20 24 1 22 24 1 22 25 1', 'C21H28O3', 328.231, 'C', 'ttl02_5601_1', 4182, '', 'Pseudopterogorgia elisabethae', '1', 47, NULL, NULL),
(16678, 'Ileabethoxazole', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]14[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:13]1[c:12]([c:11]([CH3:20])[c:10]3n[cH:9001]o[c:9]23)[C@@H:2]([CH:1]=[CH:14][C:15]([CH3:17])([CH3:16])O)[C@@H:3]4[CH3:18]', '[H][C@]14CC[C@H](C)c2c1c(c(C)c3ncoc23)[C@@H](C=CC(C)(C)O)[C@@H]4C', '[H][C@:48]14[CH2:28][CH2:34][C@H:30]([CH3:21])[c:120]2[c:142]1[c:138]([c:124]([CH3:14])[c:139]3n[cH:151]o[c:147]23)[C@@H:56]([CH:130]=[CH:139][C:71]([CH3:30])([CH3:30])O)[C@@H:51]4[CH3:15]', '25 28 H 19.43 -13.14 C:20 14.53 -12.15 C:19 19.43 -16.32 C:18 19.93 -9.68 C:17 13.88 -8.44 C:16 15.11 -6.36 O 13.91 -7.03 C:1 16.27 -9.90 C:14 16.27 -8.50 C:9001 15.26 -16.45 C:6 20.65 -14.23 C:5 20.65 -12.84 N 14.71 -15.16 O 16.65 -16.32 C:11 15.76 -12.84 C:12 16.98 -12.15 C:13 18.21 -12.84 C:8 18.21 -14.23 C:10 15.76 -14.23 C:9 16.98 -14.96 C:7 19.43 -14.96 C:3 19.02 -10.74 C:2 17.40 -10.74 C:15 15.11 -7.77 C:4 19.43 -12.15 25 1 -2 2 15 1 21 3 -2 22 4 -2 5 24 1 6 24 1 7 24 1 8 9 2 23 8 -1 9 24 1 10 13 2 10 14 1 11 12 1 11 21 1 12 25 1 13 19 1 14 20 1 15 16 1 15 19 2 16 17 2 16 23 1 17 18 1 17 25 1 18 20 2 18 21 1 19 20 1 22 23 1 22 25 1', '25 28 H 19.43 -13.14 C 14.53 -12.15 C 19.43 -16.32 C 19.93 -9.68 C 13.88 -8.44 C 15.11 -6.36 O 13.91 -7.03 C 16.27 -9.90 C 16.27 -8.50 C 15.26 -16.45 C 20.65 -14.23 C 20.65 -12.84 N 14.71 -15.16 O 16.65 -16.32 C 15.76 -12.84 C 16.98 -12.15 C 18.21 -12.84 C 18.21 -14.23 C 15.76 -14.23 C 16.98 -14.96 C 19.43 -14.96 C 19.02 -10.74 C 17.40 -10.74 C 15.11 -7.77 C 19.43 -12.15 25 1 -2 2 15 1 21 3 -2 22 4 -2 5 24 1 6 24 1 7 24 1 8 9 2 23 8 -1 9 24 1 10 13 2 10 14 1 11 12 1 11 21 1 12 25 1 13 19 1 14 20 1 15 16 1 15 19 2 16 17 2 16 23 1 17 18 1 17 25 1 18 20 2 18 21 1 19 20 1 22 23 1 22 25 1', '25 28 H 19.43 -13.14 C:14 14.53 -12.15 C:21 19.43 -16.32 C:15 19.93 -9.68 C:30 13.88 -8.44 C:30 15.11 -6.36 O 13.91 -7.03 C:130 16.27 -9.90 C:139 16.27 -8.50 C:151 15.26 -16.45 C:34 20.65 -14.23 C:28 20.65 -12.84 N 14.71 -15.16 O 16.65 -16.32 C:124 15.76 -12.84 C:138 16.98 -12.15 C:142 18.21 -12.84 C:120 18.21 -14.23 C:139 15.76 -14.23 C:147 16.98 -14.96 C:30 19.43 -14.96 C:51 19.02 -10.74 C:56 17.40 -10.74 C:71 15.11 -7.77 C:48 19.43 -12.15 25 1 -2 2 15 1 21 3 -2 22 4 -2 5 24 1 6 24 1 7 24 1 8 9 2 23 8 -1 9 24 1 10 13 2 10 14 1 11 12 1 11 21 1 12 25 1 13 19 1 14 20 1 15 16 1 15 19 2 16 17 2 16 23 1 17 18 1 17 25 1 18 20 2 18 21 1 19 20 1 22 23 1 22 25 1', 'C21H27NO2', 325.238, 'C', 'ttl06_3229_1', 4183, '', 'Pseudopterogorgia elisabethae', '1', 47, NULL, NULL),
(16679, 'Nui-inoalide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001]([CH3:13002])=O)[CH2:12][C@:11]34[CH2:20]O4', '[H][C@@]23[C@@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]34CO4', '[H][C@@:40]23[C@@H:73](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:51]([CH3:7])[C:175](=O)O[C@H:81]1[C@@H:55](Cl)[C:146](=[CH2:121])[CH2:33][CH2:28][C@@H:73](O[C:171]([CH3:22])=O)[C@@:48]2([CH3:14])[C@@H:73](O[C:170]([CH3:21])=O)[C@@H:67](O[C:170]([CH3:21])=O)[CH2:35][C@:55]34[CH2:51]O4', '42 45 H 18.05 -11.66 C:16 23.11 -10.10 C:13002 11.40 -10.10 C:2002 19.19 -5.90 C:14002 14.97 -6.68 C:9002 17.32 -16.98 C:18 18.45 -16.05 C:15 17.32 -9.24 O 12.60 -12.21 O 20.48 -7.82 O 13.74 -8.77 O 15.26 -15.73 O 21.42 -16.98 O 19.61 -12.46 Cl 23.11 -12.63 C:4 20.97 -9.53 C:3 19.61 -9.12 C:20 16.19 -14.24 C:12 15.04 -12.16 O 14.97 -13.53 O 13.83 -10.10 O 18.05 -8.15 O 16.19 -8.77 O 17.43 -14.54 O 21.80 -14.54 C:13001 12.60 -10.81 C:2001 19.19 -7.30 C:14001 14.97 -8.06 C:9001 16.67 -15.73 C:5 21.80 -10.69 C:19 20.97 -15.65 C:17 19.61 -15.25 C:6 21.80 -12.16 C:13 15.04 -10.81 C:2 18.27 -9.53 C:14 16.19 -10.10 C:7 20.97 -13.34 C:9 18.14 -13.34 C:10 17.32 -12.16 C:1 17.32 -10.81 C:11 16.19 -12.83 C:8 19.61 -13.85 39 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 32 7 -2 40 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 31 2 42 14 -2 33 15 -2 16 17 1 16 30 1 17 35 1 18 20 1 41 18 -1 19 34 1 19 41 1 41 20 -2 21 26 1 34 21 -2 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -2 25 31 1 37 25 -2 30 33 1 31 32 1 32 42 1 33 37 1 34 36 1 35 40 1 36 40 1 37 42 1 38 39 1 38 42 1 39 40 1 39 41 1', '42 45 H 18.05 -11.66 C 23.11 -10.10 C 11.40 -10.10 C 19.19 -5.90 C 14.97 -6.68 C 17.32 -16.98 C 18.45 -16.05 C 17.32 -9.24 O 12.60 -12.21 O 20.48 -7.82 O 13.74 -8.77 O 15.26 -15.73 O 21.42 -16.98 O 19.61 -12.46 Cl 23.11 -12.63 C 20.97 -9.53 C 19.61 -9.12 C 16.19 -14.24 C 15.04 -12.16 O 14.97 -13.53 O 13.83 -10.10 O 18.05 -8.15 O 16.19 -8.77 O 17.43 -14.54 O 21.80 -14.54 C 12.60 -10.81 C 19.19 -7.30 C 14.97 -8.06 C 16.67 -15.73 C 21.80 -10.69 C 20.97 -15.65 C 19.61 -15.25 C 21.80 -12.16 C 15.04 -10.81 C 18.27 -9.53 C 16.19 -10.10 C 20.97 -13.34 C 18.14 -13.34 C 17.32 -12.16 C 17.32 -10.81 C 16.19 -12.83 C 19.61 -13.85 39 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 32 7 -2 40 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 31 2 42 14 -2 33 15 -2 16 17 1 16 30 1 17 35 1 18 20 1 41 18 -1 19 34 1 19 41 1 41 20 -2 21 26 1 34 21 -2 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -2 25 31 1 37 25 -2 30 33 1 31 32 1 32 42 1 33 37 1 34 36 1 35 40 1 36 40 1 37 42 1 38 39 1 38 42 1 39 40 1 39 41 1', '42 45 H 18.05 -11.66 C:121 23.11 -10.10 C:21 11.40 -10.10 C:22 19.19 -5.90 C:21 14.97 -6.68 C:21 17.32 -16.98 C:7 18.45 -16.05 C:14 17.32 -9.24 O 12.60 -12.21 O 20.48 -7.82 O 13.74 -8.77 O 15.26 -15.73 O 21.42 -16.98 O 19.61 -12.46 Cl 23.11 -12.63 C:33 20.97 -9.53 C:28 19.61 -9.12 C:51 16.19 -14.24 C:35 15.04 -12.16 O 14.97 -13.53 O 13.83 -10.10 O 18.05 -8.15 O 16.19 -8.77 O 17.43 -14.54 O 21.80 -14.54 C:170 12.60 -10.81 C:171 19.19 -7.30 C:170 14.97 -8.06 C:170 16.67 -15.73 C:146 21.80 -10.69 C:175 20.97 -15.65 C:51 19.61 -15.25 C:55 21.80 -12.16 C:67 15.04 -10.81 C:73 18.27 -9.53 C:73 16.19 -10.10 C:81 20.97 -13.34 C:73 18.14 -13.34 C:40 17.32 -12.16 C:48 17.32 -10.81 C:55 16.19 -12.83 C:81 19.61 -13.85 39 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 32 7 -2 40 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 31 2 42 14 -2 33 15 -2 16 17 1 16 30 1 17 35 1 18 20 1 41 18 -1 19 34 1 19 41 1 41 20 -2 21 26 1 34 21 -2 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -2 25 31 1 37 25 -2 30 33 1 31 32 1 32 42 1 33 37 1 34 36 1 35 40 1 36 40 1 37 42 1 38 39 1 38 42 1 39 40 1 39 41 1', 'C28H37ClO12', 600.753, 'C', 'hr42_325_6', 4184, '', '', '1', 1, NULL, NULL),
(16680, 'Nui-inoalide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]Cl)[CH:4]=[CH:3][C@@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(CCl)C=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O)[C@]34CO4', '[H][C@@:32]23[C@@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:175](=O)O[C@H:79]1[CH:127]=[C:140]([CH2:45]Cl)[CH:128]=[CH:132][C@@H:74](O[C:170]([CH3:22])=O)[C@@:47]2([CH3:14])[C@@H:76](O[C:170]([CH3:21])=O)[C@@H:67](O[C:170]([CH3:21])=O)[C@@H:75](O)[C@:60]34[CH2:48]O4', '43 46 H 17.49 -11.66 C:2002 18.63 -5.90 C:13002 10.84 -10.10 C:14002 14.41 -6.68 C:9002 16.76 -16.98 C:18 17.89 -16.05 C:15 16.76 -9.24 O 19.92 -7.82 O 12.04 -12.21 O 13.18 -8.77 O 14.70 -15.73 O 20.86 -16.98 O 13.27 -12.87 O 19.05 -12.46 Cl 23.69 -10.92 C:4 20.41 -9.53 C:3 19.05 -9.12 C:6 21.24 -12.16 C:16 22.55 -10.10 C:20 15.63 -14.24 O 14.41 -13.53 O 17.49 -8.15 O 13.27 -10.10 O 21.24 -14.54 O 15.63 -8.77 O 16.87 -14.54 C:2001 18.63 -7.30 C:13001 12.04 -10.81 C:14001 14.41 -8.06 C:9001 16.11 -15.73 C:19 20.41 -15.65 C:5 21.24 -10.69 C:17 19.05 -15.25 C:12 14.48 -12.16 C:2 17.71 -9.53 C:7 20.41 -13.34 C:13 14.48 -10.81 C:14 15.63 -10.10 C:9 17.58 -13.34 C:10 16.76 -12.16 C:1 16.76 -10.81 C:8 19.05 -13.85 C:11 15.63 -12.87 40 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 33 6 -2 41 7 -1 8 27 2 9 28 2 10 29 2 11 30 2 12 31 2 34 13 -2 42 14 -2 15 19 1 16 17 2 16 32 1 17 35 1 18 32 2 18 36 1 19 32 1 20 21 1 43 20 -1 43 21 -2 22 27 1 35 22 -2 23 28 1 37 23 -2 24 31 1 36 24 -2 25 29 1 38 25 -2 26 30 1 39 26 -2 31 33 1 33 42 1 34 37 1 34 43 1 35 41 1 36 42 1 37 38 1 38 41 1 39 40 1 39 42 1 40 41 1 40 43 1', '43 46 H 17.49 -11.66 C 18.63 -5.90 C 10.84 -10.10 C 14.41 -6.68 C 16.76 -16.98 C 17.89 -16.05 C 16.76 -9.24 O 19.92 -7.82 O 12.04 -12.21 O 13.18 -8.77 O 14.70 -15.73 O 20.86 -16.98 O 13.27 -12.87 O 19.05 -12.46 Cl 23.69 -10.92 C 20.41 -9.53 C 19.05 -9.12 C 21.24 -12.16 C 22.55 -10.10 C 15.63 -14.24 O 14.41 -13.53 O 17.49 -8.15 O 13.27 -10.10 O 21.24 -14.54 O 15.63 -8.77 O 16.87 -14.54 C 18.63 -7.30 C 12.04 -10.81 C 14.41 -8.06 C 16.11 -15.73 C 20.41 -15.65 C 21.24 -10.69 C 19.05 -15.25 C 14.48 -12.16 C 17.71 -9.53 C 20.41 -13.34 C 14.48 -10.81 C 15.63 -10.10 C 17.58 -13.34 C 16.76 -12.16 C 16.76 -10.81 C 19.05 -13.85 C 15.63 -12.87 40 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 33 6 -2 41 7 -1 8 27 2 9 28 2 10 29 2 11 30 2 12 31 2 34 13 -2 42 14 -2 15 19 1 16 17 2 16 32 1 17 35 1 18 32 2 18 36 1 19 32 1 20 21 1 43 20 -1 43 21 -2 22 27 1 35 22 -2 23 28 1 37 23 -2 24 31 1 36 24 -2 25 29 1 38 25 -2 26 30 1 39 26 -2 31 33 1 33 42 1 34 37 1 34 43 1 35 41 1 36 42 1 37 38 1 38 41 1 39 40 1 39 42 1 40 41 1 40 43 1', '43 46 H 17.49 -11.66 C:22 18.63 -5.90 C:21 10.84 -10.10 C:21 14.41 -6.68 C:21 16.76 -16.98 C:6 17.89 -16.05 C:14 16.76 -9.24 O 19.92 -7.82 O 12.04 -12.21 O 13.18 -8.77 O 14.70 -15.73 O 20.86 -16.98 O 13.27 -12.87 O 19.05 -12.46 Cl 23.69 -10.92 C:128 20.41 -9.53 C:132 19.05 -9.12 C:127 21.24 -12.16 C:45 22.55 -10.10 C:48 15.63 -14.24 O 14.41 -13.53 O 17.49 -8.15 O 13.27 -10.10 O 21.24 -14.54 O 15.63 -8.77 O 16.87 -14.54 C:170 18.63 -7.30 C:170 12.04 -10.81 C:170 14.41 -8.06 C:170 16.11 -15.73 C:175 20.41 -15.65 C:140 21.24 -10.69 C:44 19.05 -15.25 C:75 14.48 -12.16 C:74 17.71 -9.53 C:79 20.41 -13.34 C:67 14.48 -10.81 C:76 15.63 -10.10 C:64 17.58 -13.34 C:32 16.76 -12.16 C:47 16.76 -10.81 C:81 19.05 -13.85 C:60 15.63 -12.87 40 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 33 6 -2 41 7 -1 8 27 2 9 28 2 10 29 2 11 30 2 12 31 2 34 13 -2 42 14 -2 15 19 1 16 17 2 16 32 1 17 35 1 18 32 2 18 36 1 19 32 1 20 21 1 43 20 -1 43 21 -2 22 27 1 35 22 -2 23 28 1 37 23 -2 24 31 1 36 24 -2 25 29 1 38 25 -2 26 30 1 39 26 -2 31 33 1 33 42 1 34 37 1 34 43 1 35 41 1 36 42 1 37 38 1 38 41 1 39 40 1 39 42 1 40 41 1 40 43 1', 'C28H35ClO13', 614.752, 'C', 'hr42_325_7', 4184, '', '', '1', 1, NULL, NULL),
(16681, 'Nui-inoalide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][C@H:13](O[C:13001]([CH3:13002])=O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H]3OC(C)=O', '[H][C@:43]13[C:146](=[CH2:113])[CH2:38][C@H:69](O[C:170]([CH3:21])=O)[C@H:73](O[C:170]([CH3:21])=O)[C@:48]1([CH3:14])[C@H:73](O[C:171]([CH3:22])=O)[CH2:29][CH2:33][C:170](=[CH2:121])[C@H:69](Cl)[C@@H:81]2O[C:174](=O)[C@H:51]([CH3:77])[C@@:81]2(O)[C@@H:80]3O[C:170]([CH3:21])=O', '41 43 H 18.05 -11.66 C:16 23.12 -10.10 C:20 16.19 -14.24 C:13002 11.40 -10.10 C:2002 19.19 -5.90 C:14002 14.97 -6.68 C:9002 17.32 -16.98 C:18 18.45 -16.05 C:15 17.32 -9.24 O 12.60 -12.21 O 20.49 -7.82 O 13.74 -8.77 O 15.26 -15.73 O 21.43 -16.98 O 19.61 -12.46 Cl 23.12 -12.63 C:4 20.98 -9.53 C:3 19.61 -9.12 C:12 15.04 -12.16 O 13.83 -10.10 O 18.05 -8.15 O 16.19 -8.77 O 17.43 -14.54 O 21.81 -14.54 C:13001 12.60 -10.81 C:2001 19.19 -7.30 C:14001 14.97 -8.06 C:9001 16.67 -15.73 C:5 21.81 -10.69 C:11 16.19 -12.83 C:19 20.98 -15.65 C:17 19.61 -15.25 C:6 21.81 -12.16 C:13 15.04 -10.81 C:2 18.27 -9.53 C:7 20.98 -13.34 C:14 16.19 -10.10 C:9 18.14 -13.34 C:10 17.32 -12.16 C:1 17.32 -10.81 C:8 19.61 -13.85 39 1 -2 2 29 2 3 30 2 4 25 1 5 26 1 6 27 1 7 28 1 32 8 -2 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 41 15 -2 33 16 -2 17 18 1 17 29 1 18 35 1 19 30 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -2 22 27 1 37 22 -2 23 28 1 38 23 -2 24 31 1 36 24 -2 29 33 1 30 39 1 31 32 1 32 41 1 33 36 1 34 37 1 35 40 1 36 41 1 37 40 1 38 39 1 38 41 1 39 40 1', '41 43 H 18.05 -11.66 C 23.12 -10.10 C 16.19 -14.24 C 11.40 -10.10 C 19.19 -5.90 C 14.97 -6.68 C 17.32 -16.98 C 18.45 -16.05 C 17.32 -9.24 O 12.60 -12.21 O 20.49 -7.82 O 13.74 -8.77 O 15.26 -15.73 O 21.43 -16.98 O 19.61 -12.46 Cl 23.12 -12.63 C 20.98 -9.53 C 19.61 -9.12 C 15.04 -12.16 O 13.83 -10.10 O 18.05 -8.15 O 16.19 -8.77 O 17.43 -14.54 O 21.81 -14.54 C 12.60 -10.81 C 19.19 -7.30 C 14.97 -8.06 C 16.67 -15.73 C 21.81 -10.69 C 16.19 -12.83 C 20.98 -15.65 C 19.61 -15.25 C 21.81 -12.16 C 15.04 -10.81 C 18.27 -9.53 C 20.98 -13.34 C 16.19 -10.10 C 18.14 -13.34 C 17.32 -12.16 C 17.32 -10.81 C 19.61 -13.85 39 1 -2 2 29 2 3 30 2 4 25 1 5 26 1 6 27 1 7 28 1 32 8 -2 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 41 15 -2 33 16 -2 17 18 1 17 29 1 18 35 1 19 30 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -2 22 27 1 37 22 -2 23 28 1 38 23 -2 24 31 1 36 24 -2 29 33 1 30 39 1 31 32 1 32 41 1 33 36 1 34 37 1 35 40 1 36 41 1 37 40 1 38 39 1 38 41 1 39 40 1', '41 43 H 18.05 -11.66 C:121 23.12 -10.10 C:113 16.19 -14.24 C:21 11.40 -10.10 C:22 19.19 -5.90 C:21 14.97 -6.68 C:21 17.32 -16.98 C:7 18.45 -16.05 C:14 17.32 -9.24 O 12.60 -12.21 O 20.49 -7.82 O 13.74 -8.77 O 15.26 -15.73 O 21.43 -16.98 O 19.61 -12.46 Cl 23.12 -12.63 C:33 20.98 -9.53 C:29 19.61 -9.12 C:38 15.04 -12.16 O 13.83 -10.10 O 18.05 -8.15 O 16.19 -8.77 O 17.43 -14.54 O 21.81 -14.54 C:170 12.60 -10.81 C:171 19.19 -7.30 C:170 14.97 -8.06 C:170 16.67 -15.73 C:170 21.81 -10.69 C:146 16.19 -12.83 C:174 20.98 -15.65 C:51 19.61 -15.25 C:69 21.81 -12.16 C:69 15.04 -10.81 C:73 18.27 -9.53 C:81 20.98 -13.34 C:73 16.19 -10.10 C:80 18.14 -13.34 C:43 17.32 -12.16 C:48 17.32 -10.81 C:81 19.61 -13.85 39 1 -2 2 29 2 3 30 2 4 25 1 5 26 1 6 27 1 7 28 1 32 8 -2 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 41 15 -2 33 16 -2 17 18 1 17 29 1 18 35 1 19 30 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -2 22 27 1 37 22 -2 23 28 1 38 23 -2 24 31 1 36 24 -2 29 33 1 30 39 1 31 32 1 32 41 1 33 36 1 34 37 1 35 40 1 36 41 1 37 40 1 38 39 1 38 41 1 39 40 1', 'C28H37ClO11', 584.754, 'C', 'hr42_325_8', 4184, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16682, 'Nui-inoalide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]3([CH3:20])O', '[H][C@@]23[C@@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@@H](OC(C)=O)[C@@]2(C)C=C[C@@H](OC(C)=O)[C@@]3(C)O', '[H][C@@:39]23[C@@H:69](O[C:170]([CH3:21])=O)[C@:83]1(O)[C@@H:46]([CH3:77])[C:175](=O)O[C@H:79]1[C@@H:62](Cl)[C:137](=[CH2:117])[CH:129]=[CH:129][C@@H:78](O[C:172]([CH3:22])=O)[C@@:46]2([CH3:15])[CH:142]=[CH:121][C@@H:73](O[C:170]([CH3:21])=O)[C@@:76]3([CH3:24])O', '38 40 H 17.99 -11.69 C:16 23.08 -10.13 C:12002 11.37 -12.92 C:2002 19.13 -5.89 C:9002 17.25 -16.97 C:18 18.39 -16.04 C:20 16.14 -14.25 C:15 17.25 -9.26 O 12.58 -10.81 O 20.43 -7.83 O 15.21 -15.73 O 21.38 -16.97 O 14.94 -13.56 O 19.55 -12.49 Cl 23.08 -12.66 C:4 20.93 -9.56 C:3 19.55 -9.14 C:13 14.94 -10.81 C:14 16.14 -10.13 O 13.79 -12.92 O 17.99 -8.17 O 17.36 -14.55 O 21.76 -14.55 C:12001 12.58 -12.21 C:2001 19.13 -7.30 C:9001 16.60 -15.73 C:5 21.76 -10.72 C:19 20.93 -15.65 C:17 19.55 -15.26 C:6 21.76 -12.21 C:12 14.94 -12.21 C:2 18.21 -9.56 C:7 20.93 -13.36 C:9 18.08 -13.36 C:11 16.14 -12.86 C:10 17.25 -12.21 C:1 17.25 -10.81 C:8 19.55 -13.86 36 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 35 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 35 13 -2 38 14 -2 30 15 -2 16 17 2 16 27 1 17 32 1 18 19 2 18 31 1 19 37 1 20 24 1 31 20 -2 21 25 1 32 21 -2 22 26 1 34 22 -2 23 28 1 33 23 -2 27 30 1 28 29 1 29 38 1 30 33 1 31 35 1 32 37 1 33 38 1 34 36 1 34 38 1 35 36 1 36 37 1', '38 40 H 17.99 -11.69 C 23.08 -10.13 C 11.37 -12.92 C 19.13 -5.89 C 17.25 -16.97 C 18.39 -16.04 C 16.14 -14.25 C 17.25 -9.26 O 12.58 -10.81 O 20.43 -7.83 O 15.21 -15.73 O 21.38 -16.97 O 14.94 -13.56 O 19.55 -12.49 Cl 23.08 -12.66 C 20.93 -9.56 C 19.55 -9.14 C 14.94 -10.81 C 16.14 -10.13 O 13.79 -12.92 O 17.99 -8.17 O 17.36 -14.55 O 21.76 -14.55 C 12.58 -12.21 C 19.13 -7.30 C 16.60 -15.73 C 21.76 -10.72 C 20.93 -15.65 C 19.55 -15.26 C 21.76 -12.21 C 14.94 -12.21 C 18.21 -9.56 C 20.93 -13.36 C 18.08 -13.36 C 16.14 -12.86 C 17.25 -12.21 C 17.25 -10.81 C 19.55 -13.86 36 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 35 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 35 13 -2 38 14 -2 30 15 -2 16 17 2 16 27 1 17 32 1 18 19 2 18 31 1 19 37 1 20 24 1 31 20 -2 21 25 1 32 21 -2 22 26 1 34 22 -2 23 28 1 33 23 -2 27 30 1 28 29 1 29 38 1 30 33 1 31 35 1 32 37 1 33 38 1 34 36 1 34 38 1 35 36 1 36 37 1', '38 40 H 17.99 -11.69 C:117 23.08 -10.13 C:21 11.37 -12.92 C:22 19.13 -5.89 C:21 17.25 -16.97 C:7 18.39 -16.04 C:24 16.14 -14.25 C:15 17.25 -9.26 O 12.58 -10.81 O 20.43 -7.83 O 15.21 -15.73 O 21.38 -16.97 O 14.94 -13.56 O 19.55 -12.49 Cl 23.08 -12.66 C:129 20.93 -9.56 C:129 19.55 -9.14 C:121 14.94 -10.81 C:142 16.14 -10.13 O 13.79 -12.92 O 17.99 -8.17 O 17.36 -14.55 O 21.76 -14.55 C:170 12.58 -12.21 C:172 19.13 -7.30 C:170 16.60 -15.73 C:137 21.76 -10.72 C:175 20.93 -15.65 C:46 19.55 -15.26 C:62 21.76 -12.21 C:73 14.94 -12.21 C:78 18.21 -9.56 C:79 20.93 -13.36 C:69 18.08 -13.36 C:76 16.14 -12.86 C:39 17.25 -12.21 C:46 17.25 -10.81 C:83 19.55 -13.86 36 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 35 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 35 13 -2 38 14 -2 30 15 -2 16 17 2 16 27 1 17 32 1 18 19 2 18 31 1 19 37 1 20 24 1 31 20 -2 21 25 1 32 21 -2 22 26 1 34 22 -2 23 28 1 33 23 -2 27 30 1 28 29 1 29 38 1 30 33 1 31 35 1 32 37 1 33 38 1 34 36 1 34 38 1 35 36 1 36 37 1', 'C26H33ClO10', 540.733, 'C', 'hr42_325_9', 4184, '', '', '1', 1, NULL, NULL),
(16683, 'Violide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCCCC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:170]([CH3:21])=O)[C@:72]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:73]2[CH:125]=[C:141]([CH3:25])[C@H:76](O[C:173](=O)[CH2:34][CH2:25][CH2:32][CH2:29][CH2:29][CH2:23][CH3:14])[C@H:71](O[C:170]([CH3:21])=O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]3([CH3:16])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '48 51 H 13.00 -12.38 C:4008 25.68 -5.11 C:3002 15.79 -6.27 C:2002 11.47 -6.96 C:9002 12.26 -17.71 C:16 18.15 -10.97 C:20 11.15 -14.97 C:15 12.26 -9.95 C:18 13.41 -16.79 O 16.97 -8.34 O 10.60 -9.23 O 10.22 -16.48 O 18.68 -10.34 O 16.41 -17.71 O 8.78 -13.60 O 9.92 -14.26 C:13 10.00 -11.55 C:14 11.15 -10.87 C:6 16.78 -12.88 C:4007 24.85 -6.27 C:4006 23.45 -6.10 C:4005 22.62 -7.24 C:4004 21.22 -7.10 C:4003 20.40 -8.23 C:4002 19.00 -8.09 O 14.57 -8.42 O 13.00 -8.86 O 16.78 -9.10 O 16.78 -15.27 O 12.37 -15.27 O 15.79 -15.27 C:3001 15.79 -7.68 C:2001 11.69 -8.34 C:9001 11.63 -16.48 C:5 16.78 -11.42 C:4001 18.15 -9.23 C:19 15.94 -16.40 C:12 10.00 -12.88 C:7 15.94 -14.07 C:4 15.94 -10.24 C:3 14.57 -9.82 C:2 13.23 -10.24 C:9 13.09 -14.07 C:11 11.15 -13.60 C:1 12.26 -11.55 C:17 14.57 -15.98 C:10 12.26 -12.88 C:8 14.57 -14.58 47 1 -2 2 20 1 3 32 1 4 33 1 5 34 1 6 35 1 44 7 -1 45 8 -1 46 9 -1 10 32 2 11 33 2 12 34 2 13 36 2 14 37 2 38 15 -2 44 16 -2 17 18 2 17 38 1 18 45 1 19 35 2 19 39 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 36 1 26 32 1 41 26 -1 27 33 1 42 27 -1 28 36 1 40 28 -1 29 37 1 39 29 -2 30 34 1 43 30 -1 31 46 1 48 31 -2 35 40 1 37 46 1 38 44 1 39 48 1 40 41 1 41 42 1 42 45 1 43 47 1 43 48 1 44 47 1 45 47 1 46 48 1', '48 51 H 13.00 -12.38 C 25.68 -5.11 C 15.79 -6.27 C 11.47 -6.96 C 12.26 -17.71 C 18.15 -10.97 C 11.15 -14.97 C 12.26 -9.95 C 13.41 -16.79 O 16.97 -8.34 O 10.60 -9.23 O 10.22 -16.48 O 18.68 -10.34 O 16.41 -17.71 O 8.78 -13.60 O 9.92 -14.26 C 10.00 -11.55 C 11.15 -10.87 C 16.78 -12.88 C 24.85 -6.27 C 23.45 -6.10 C 22.62 -7.24 C 21.22 -7.10 C 20.40 -8.23 C 19.00 -8.09 O 14.57 -8.42 O 13.00 -8.86 O 16.78 -9.10 O 16.78 -15.27 O 12.37 -15.27 O 15.79 -15.27 C 15.79 -7.68 C 11.69 -8.34 C 11.63 -16.48 C 16.78 -11.42 C 18.15 -9.23 C 15.94 -16.40 C 10.00 -12.88 C 15.94 -14.07 C 15.94 -10.24 C 14.57 -9.82 C 13.23 -10.24 C 13.09 -14.07 C 11.15 -13.60 C 12.26 -11.55 C 14.57 -15.98 C 12.26 -12.88 C 14.57 -14.58 47 1 -2 2 20 1 3 32 1 4 33 1 5 34 1 6 35 1 44 7 -1 45 8 -1 46 9 -1 10 32 2 11 33 2 12 34 2 13 36 2 14 37 2 38 15 -2 44 16 -2 17 18 2 17 38 1 18 45 1 19 35 2 19 39 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 36 1 26 32 1 41 26 -1 27 33 1 42 27 -1 28 36 1 40 28 -1 29 37 1 39 29 -2 30 34 1 43 30 -1 31 46 1 48 31 -2 35 40 1 37 46 1 38 44 1 39 48 1 40 41 1 41 42 1 42 45 1 43 47 1 43 48 1 44 47 1 45 47 1 46 48 1', '48 51 H 13.00 -12.38 C:14 25.68 -5.11 C:21 15.79 -6.27 C:21 11.47 -6.96 C:21 12.26 -17.71 C:25 18.15 -10.97 C:21 11.15 -14.97 C:16 12.26 -9.95 C:10 13.41 -16.79 O 16.97 -8.34 O 10.60 -9.23 O 10.22 -16.48 O 18.68 -10.34 O 16.41 -17.71 O 8.78 -13.60 O 9.92 -14.26 C:125 10.00 -11.55 C:139 11.15 -10.87 C:125 16.78 -12.88 C:23 24.85 -6.27 C:29 23.45 -6.10 C:29 22.62 -7.24 C:32 21.22 -7.10 C:25 20.40 -8.23 C:34 19.00 -8.09 O 14.57 -8.42 O 13.00 -8.86 O 16.78 -9.10 O 16.78 -15.27 O 12.37 -15.27 O 15.79 -15.27 C:170 15.79 -7.68 C:169 11.69 -8.34 C:170 11.63 -16.48 C:141 16.78 -11.42 C:173 18.15 -9.23 C:171 15.94 -16.40 C:70 10.00 -12.88 C:73 15.94 -14.07 C:76 15.94 -10.24 C:71 14.57 -9.82 C:77 13.23 -10.24 C:66 13.09 -14.07 C:74 11.15 -13.60 C:47 12.26 -11.55 C:65 14.57 -15.98 C:43 12.26 -12.88 C:72 14.57 -14.58 47 1 -2 2 20 1 3 32 1 4 33 1 5 34 1 6 35 1 44 7 -1 45 8 -1 46 9 -1 10 32 2 11 33 2 12 34 2 13 36 2 14 37 2 38 15 -2 44 16 -2 17 18 2 17 38 1 18 45 1 19 35 2 19 39 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 36 1 26 32 1 41 26 -1 27 33 1 42 27 -1 28 36 1 40 28 -1 29 37 1 39 29 -2 30 34 1 43 30 -1 31 46 1 48 31 -2 35 40 1 37 46 1 38 44 1 39 48 1 40 41 1 41 42 1 42 45 1 43 47 1 43 48 1 44 47 1 45 47 1 46 48 1', 'C34H48O13', 664.364, 'C', 'hr51_1653_1', 4185, '', '', '1', 1, NULL, NULL),
(16684, 'Violide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH3:4006])[C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:170]([CH3:21])=O)[C@:72]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:73]2[CH:125]=[C:141]([CH3:25])[C@H:76](O[C:173](=O)[CH2:34][CH2:31][CH2:24][CH2:22][CH3:14])[C@H:71](O[C:170]([CH3:21])=O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]3([CH3:16])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '46 49 H 14.14 -11.88 C:4006 24.58 -5.60 C:3002 16.93 -5.77 C:2002 12.61 -6.46 C:9002 13.40 -17.21 C:16 19.28 -10.47 C:20 12.28 -14.47 C:15 13.40 -9.45 C:18 14.54 -16.29 O 18.09 -7.84 O 11.73 -8.73 O 11.35 -15.98 O 19.81 -9.84 O 17.53 -17.21 O 9.92 -13.10 O 11.06 -13.76 C:13 11.13 -11.05 C:14 12.28 -10.37 C:6 17.90 -12.39 C:4005 23.75 -6.74 C:4004 22.35 -6.60 C:4003 21.53 -7.73 C:4002 20.13 -7.59 O 15.71 -7.92 O 14.14 -8.36 O 17.90 -8.60 O 17.90 -14.78 O 13.51 -14.78 O 16.93 -14.78 C:3001 16.93 -7.18 C:2001 12.83 -7.84 C:9001 12.77 -15.98 C:5 17.90 -10.92 C:4001 19.28 -8.73 C:19 17.08 -15.90 C:12 11.13 -12.39 C:7 17.08 -13.57 C:4 17.08 -9.74 C:3 15.71 -9.32 C:2 14.36 -9.74 C:9 14.23 -13.57 C:11 12.28 -13.10 C:1 13.40 -11.05 C:17 15.71 -15.50 C:10 13.40 -12.39 C:8 15.71 -14.08 45 1 -2 2 20 1 3 30 1 4 31 1 5 32 1 6 33 1 42 7 -1 43 8 -1 44 9 -1 10 30 2 11 31 2 12 32 2 13 34 2 14 35 2 36 15 -2 42 16 -2 17 18 2 17 36 1 18 43 1 19 33 2 19 37 1 20 21 1 21 22 1 22 23 1 23 34 1 24 30 1 39 24 -1 25 31 1 40 25 -1 26 34 1 38 26 -1 27 35 1 37 27 -2 28 32 1 41 28 -1 29 44 1 46 29 -2 33 38 1 35 44 1 36 42 1 37 46 1 38 39 1 39 40 1 40 43 1 41 45 1 41 46 1 42 45 1 43 45 1 44 46 1', '46 49 H 14.14 -11.88 C 24.58 -5.60 C 16.93 -5.77 C 12.61 -6.46 C 13.40 -17.21 C 19.28 -10.47 C 12.28 -14.47 C 13.40 -9.45 C 14.54 -16.29 O 18.09 -7.84 O 11.73 -8.73 O 11.35 -15.98 O 19.81 -9.84 O 17.53 -17.21 O 9.92 -13.10 O 11.06 -13.76 C 11.13 -11.05 C 12.28 -10.37 C 17.90 -12.39 C 23.75 -6.74 C 22.35 -6.60 C 21.53 -7.73 C 20.13 -7.59 O 15.71 -7.92 O 14.14 -8.36 O 17.90 -8.60 O 17.90 -14.78 O 13.51 -14.78 O 16.93 -14.78 C 16.93 -7.18 C 12.83 -7.84 C 12.77 -15.98 C 17.90 -10.92 C 19.28 -8.73 C 17.08 -15.90 C 11.13 -12.39 C 17.08 -13.57 C 17.08 -9.74 C 15.71 -9.32 C 14.36 -9.74 C 14.23 -13.57 C 12.28 -13.10 C 13.40 -11.05 C 15.71 -15.50 C 13.40 -12.39 C 15.71 -14.08 45 1 -2 2 20 1 3 30 1 4 31 1 5 32 1 6 33 1 42 7 -1 43 8 -1 44 9 -1 10 30 2 11 31 2 12 32 2 13 34 2 14 35 2 36 15 -2 42 16 -2 17 18 2 17 36 1 18 43 1 19 33 2 19 37 1 20 21 1 21 22 1 22 23 1 23 34 1 24 30 1 39 24 -1 25 31 1 40 25 -1 26 34 1 38 26 -1 27 35 1 37 27 -2 28 32 1 41 28 -1 29 44 1 46 29 -2 33 38 1 35 44 1 36 42 1 37 46 1 38 39 1 39 40 1 40 43 1 41 45 1 41 46 1 42 45 1 43 45 1 44 46 1', '46 49 H 14.14 -11.88 C:14 24.58 -5.60 C:21 16.93 -5.77 C:21 12.61 -6.46 C:21 13.40 -17.21 C:25 19.28 -10.47 C:21 12.28 -14.47 C:16 13.40 -9.45 C:10 14.54 -16.29 O 18.09 -7.84 O 11.73 -8.73 O 11.35 -15.98 O 19.81 -9.84 O 17.53 -17.21 O 9.92 -13.10 O 11.06 -13.76 C:125 11.13 -11.05 C:139 12.28 -10.37 C:125 17.90 -12.39 C:22 23.75 -6.74 C:24 22.35 -6.60 C:31 21.53 -7.73 C:34 20.13 -7.59 O 15.71 -7.92 O 14.14 -8.36 O 17.90 -8.60 O 17.90 -14.78 O 13.51 -14.78 O 16.93 -14.78 C:170 16.93 -7.18 C:169 12.83 -7.84 C:170 12.77 -15.98 C:141 17.90 -10.92 C:173 19.28 -8.73 C:171 17.08 -15.90 C:70 11.13 -12.39 C:73 17.08 -13.57 C:76 17.08 -9.74 C:71 15.71 -9.32 C:77 14.36 -9.74 C:66 14.23 -13.57 C:74 12.28 -13.10 C:47 13.40 -11.05 C:65 15.71 -15.50 C:43 13.40 -12.39 C:72 15.71 -14.08 45 1 -2 2 20 1 3 30 1 4 31 1 5 32 1 6 33 1 42 7 -1 43 8 -1 44 9 -1 10 30 2 11 31 2 12 32 2 13 34 2 14 35 2 36 15 -2 42 16 -2 17 18 2 17 36 1 18 43 1 19 33 2 19 37 1 20 21 1 21 22 1 22 23 1 23 34 1 24 30 1 39 24 -1 25 31 1 40 25 -1 26 34 1 38 26 -1 27 35 1 37 27 -2 28 32 1 41 28 -1 29 44 1 46 29 -2 33 38 1 35 44 1 36 42 1 37 46 1 38 39 1 39 40 1 40 43 1 41 45 1 41 46 1 42 45 1 43 45 1 44 46 1', 'C32H44O13', 636.343, 'C', 'hr51_1653_2', 4185, '', '', '1', 1, NULL, NULL),
(16685, 'Violide E', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH3:4004])[C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:170]([CH3:21])=O)[C@:72]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:73]2[CH:125]=[C:141]([CH3:25])[C@H:76](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[C@H:71](O[C:170]([CH3:21])=O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]3([CH3:16])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '44 47 H 15.24 -11.79 C:4004 23.45 -6.49 C:3002 18.03 -5.67 C:2002 13.69 -6.35 C:9002 14.69 -17.21 C:16 20.38 -10.37 C:20 13.37 -14.28 C:15 14.48 -9.35 C:18 15.64 -16.19 O 19.20 -7.73 O 12.82 -8.64 O 12.59 -16.01 O 20.91 -9.74 O 18.64 -17.11 O 11.00 -13.01 O 12.15 -13.67 C:13 12.22 -10.95 C:14 13.37 -10.27 C:6 19.01 -12.29 C:4003 22.63 -7.62 C:4002 21.23 -7.48 O 16.80 -7.81 O 15.24 -8.27 O 14.69 -14.79 O 19.01 -8.51 O 19.01 -14.69 O 18.03 -14.69 C:3001 18.03 -7.07 C:2001 13.91 -7.73 C:9001 13.99 -16.01 C:5 19.01 -10.82 C:4001 20.38 -8.64 C:19 18.19 -15.80 C:12 12.22 -12.29 C:7 18.19 -13.48 C:4 18.19 -9.64 C:3 16.80 -9.23 C:2 15.46 -9.64 C:9 15.33 -13.48 C:11 13.37 -13.01 C:1 14.48 -10.95 C:17 16.80 -15.40 C:10 14.48 -12.29 C:8 16.80 -13.99 43 1 -2 2 20 1 3 28 1 4 29 1 5 30 1 6 31 1 40 7 -1 41 8 -1 42 9 -1 10 28 2 11 29 2 12 30 2 13 32 2 14 33 2 34 15 -2 40 16 -2 17 18 2 17 34 1 18 41 1 19 31 2 19 35 1 20 21 1 21 32 1 22 28 1 37 22 -1 23 29 1 38 23 -1 24 30 1 39 24 -1 25 32 1 36 25 -1 26 33 1 35 26 -2 27 42 1 44 27 -2 31 36 1 33 42 1 34 40 1 35 44 1 36 37 1 37 38 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', '44 47 H 15.24 -11.79 C 23.45 -6.49 C 18.03 -5.67 C 13.69 -6.35 C 14.69 -17.21 C 20.38 -10.37 C 13.37 -14.28 C 14.48 -9.35 C 15.64 -16.19 O 19.20 -7.73 O 12.82 -8.64 O 12.59 -16.01 O 20.91 -9.74 O 18.64 -17.11 O 11.00 -13.01 O 12.15 -13.67 C 12.22 -10.95 C 13.37 -10.27 C 19.01 -12.29 C 22.63 -7.62 C 21.23 -7.48 O 16.80 -7.81 O 15.24 -8.27 O 14.69 -14.79 O 19.01 -8.51 O 19.01 -14.69 O 18.03 -14.69 C 18.03 -7.07 C 13.91 -7.73 C 13.99 -16.01 C 19.01 -10.82 C 20.38 -8.64 C 18.19 -15.80 C 12.22 -12.29 C 18.19 -13.48 C 18.19 -9.64 C 16.80 -9.23 C 15.46 -9.64 C 15.33 -13.48 C 13.37 -13.01 C 14.48 -10.95 C 16.80 -15.40 C 14.48 -12.29 C 16.80 -13.99 43 1 -2 2 20 1 3 28 1 4 29 1 5 30 1 6 31 1 40 7 -1 41 8 -1 42 9 -1 10 28 2 11 29 2 12 30 2 13 32 2 14 33 2 34 15 -2 40 16 -2 17 18 2 17 34 1 18 41 1 19 31 2 19 35 1 20 21 1 21 32 1 22 28 1 37 22 -1 23 29 1 38 23 -1 24 30 1 39 24 -1 25 32 1 36 25 -1 26 33 1 35 26 -2 27 42 1 44 27 -2 31 36 1 33 42 1 34 40 1 35 44 1 36 37 1 37 38 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', '44 47 H 15.24 -11.79 C:14 23.45 -6.49 C:21 18.03 -5.67 C:21 13.69 -6.35 C:21 14.69 -17.21 C:25 20.38 -10.37 C:21 13.37 -14.28 C:16 14.48 -9.35 C:10 15.64 -16.19 O 19.20 -7.73 O 12.82 -8.64 O 12.59 -16.01 O 20.91 -9.74 O 18.64 -17.11 O 11.00 -13.01 O 12.15 -13.67 C:125 12.22 -10.95 C:139 13.37 -10.27 C:125 19.01 -12.29 C:18 22.63 -7.62 C:36 21.23 -7.48 O 16.80 -7.81 O 15.24 -8.27 O 14.69 -14.79 O 19.01 -8.51 O 19.01 -14.69 O 18.03 -14.69 C:170 18.03 -7.07 C:169 13.91 -7.73 C:170 13.99 -16.01 C:141 19.01 -10.82 C:173 20.38 -8.64 C:171 18.19 -15.80 C:70 12.22 -12.29 C:73 18.19 -13.48 C:76 18.19 -9.64 C:71 16.80 -9.23 C:77 15.46 -9.64 C:66 15.33 -13.48 C:74 13.37 -13.01 C:47 14.48 -10.95 C:65 16.80 -15.40 C:43 14.48 -12.29 C:72 16.80 -13.99 43 1 -2 2 20 1 3 28 1 4 29 1 5 30 1 6 31 1 40 7 -1 41 8 -1 42 9 -1 10 28 2 11 29 2 12 30 2 13 32 2 14 33 2 34 15 -2 40 16 -2 17 18 2 17 34 1 18 41 1 19 31 2 19 35 1 20 21 1 21 32 1 22 28 1 37 22 -1 23 29 1 38 23 -1 24 30 1 39 24 -1 25 32 1 36 25 -1 26 33 1 35 26 -2 27 42 1 44 27 -2 31 36 1 33 42 1 34 40 1 35 44 1 36 37 1 37 38 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', 'C30H40O13', 608.321, 'C', 'hr51_1653_3', 4185, 'Ac at C-9', '', '1', 1, NULL, NULL),
(16686, 'Violide F', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@H:3](O)[C@H:2](O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCCCC)[C@H](O)[C@H](O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:44]34[C@H:66](O[C:168]([CH3:22])=O)[C@:71]12O[C@:65]1([CH3:10])[C:170](=O)O[C@H:74]2[CH:124]=[C:141]([CH3:26])[C@H:78](O[C:174](=O)[CH2:34][CH2:25][CH2:32][CH2:29][CH2:29][CH2:23][CH3:14])[C@H:71](O)[C@H:76](O)[C@@:49]3([CH3:14])[CH:141]=[CH:123][C@@H:71](O)[C@@:74]4([CH3:22])O', '42 45 H 13.02 -12.40 C:4008 25.64 -5.15 C:9002 12.28 -17.69 C:16 18.13 -10.89 C:20 11.17 -14.98 C:15 12.28 -9.97 C:18 13.42 -16.77 O 10.24 -16.46 O 18.66 -10.56 O 16.39 -17.69 O 8.81 -13.61 O 14.58 -8.45 O 13.02 -8.89 O 9.95 -14.27 C:13 10.02 -11.57 C:14 11.17 -10.89 C:6 16.76 -12.90 C:4007 24.81 -6.31 C:4006 23.41 -6.14 C:4005 22.59 -7.27 C:4004 21.19 -7.13 C:4003 20.37 -8.26 C:4002 18.98 -8.12 O 12.39 -15.28 O 16.76 -9.13 O 16.76 -15.28 O 15.79 -15.28 C:9001 11.65 -16.46 C:5 16.76 -11.44 C:4001 18.13 -9.26 C:19 15.94 -16.38 C:12 10.02 -12.90 C:3 14.58 -9.85 C:2 13.24 -10.26 C:7 15.94 -14.08 C:4 15.94 -10.26 C:9 13.11 -14.08 C:11 11.17 -13.61 C:1 12.28 -11.57 C:17 14.58 -15.98 C:10 12.28 -12.90 C:8 14.58 -14.59 41 1 -2 2 18 1 3 28 1 4 29 1 38 5 -1 39 6 -1 40 7 -1 8 28 2 9 30 2 10 31 2 32 11 -2 33 12 -1 34 13 -1 38 14 -2 15 16 2 15 32 1 16 39 1 17 29 2 17 35 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 30 1 24 28 1 37 24 -1 25 30 1 36 25 -1 26 31 1 35 26 -2 27 40 1 42 27 -2 29 36 1 31 40 1 32 38 1 33 34 1 33 36 1 34 39 1 35 42 1 37 41 1 37 42 1 38 41 1 39 41 1 40 42 1', '42 45 H 13.02 -12.40 C 25.64 -5.15 C 12.28 -17.69 C 18.13 -10.89 C 11.17 -14.98 C 12.28 -9.97 C 13.42 -16.77 O 10.24 -16.46 O 18.66 -10.56 O 16.39 -17.69 O 8.81 -13.61 O 14.58 -8.45 O 13.02 -8.89 O 9.95 -14.27 C 10.02 -11.57 C 11.17 -10.89 C 16.76 -12.90 C 24.81 -6.31 C 23.41 -6.14 C 22.59 -7.27 C 21.19 -7.13 C 20.37 -8.26 C 18.98 -8.12 O 12.39 -15.28 O 16.76 -9.13 O 16.76 -15.28 O 15.79 -15.28 C 11.65 -16.46 C 16.76 -11.44 C 18.13 -9.26 C 15.94 -16.38 C 10.02 -12.90 C 14.58 -9.85 C 13.24 -10.26 C 15.94 -14.08 C 15.94 -10.26 C 13.11 -14.08 C 11.17 -13.61 C 12.28 -11.57 C 14.58 -15.98 C 12.28 -12.90 C 14.58 -14.59 41 1 -2 2 18 1 3 28 1 4 29 1 38 5 -1 39 6 -1 40 7 -1 8 28 2 9 30 2 10 31 2 32 11 -2 33 12 -1 34 13 -1 38 14 -2 15 16 2 15 32 1 16 39 1 17 29 2 17 35 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 30 1 24 28 1 37 24 -1 25 30 1 36 25 -1 26 31 1 35 26 -2 27 40 1 42 27 -2 29 36 1 31 40 1 32 38 1 33 34 1 33 36 1 34 39 1 35 42 1 37 41 1 37 42 1 38 41 1 39 41 1 40 42 1', '42 45 H 13.02 -12.40 C:14 25.64 -5.15 C:22 12.28 -17.69 C:26 18.13 -10.89 C:22 11.17 -14.98 C:14 12.28 -9.97 C:10 13.42 -16.77 O 10.24 -16.46 O 18.66 -10.56 O 16.39 -17.69 O 8.81 -13.61 O 14.58 -8.45 O 13.02 -8.89 O 9.95 -14.27 C:123 10.02 -11.57 C:141 11.17 -10.89 C:124 16.76 -12.90 C:23 24.81 -6.31 C:29 23.41 -6.14 C:29 22.59 -7.27 C:32 21.19 -7.13 C:25 20.37 -8.26 C:34 18.98 -8.12 O 12.39 -15.28 O 16.76 -9.13 O 16.76 -15.28 O 15.79 -15.28 C:168 11.65 -16.46 C:141 16.76 -11.44 C:174 18.13 -9.26 C:170 15.94 -16.38 C:71 10.02 -12.90 C:71 14.58 -9.85 C:76 13.24 -10.26 C:74 15.94 -14.08 C:78 15.94 -10.26 C:66 13.11 -14.08 C:74 11.17 -13.61 C:49 12.28 -11.57 C:65 14.58 -15.98 C:44 12.28 -12.90 C:71 14.58 -14.59 41 1 -2 2 18 1 3 28 1 4 29 1 38 5 -1 39 6 -1 40 7 -1 8 28 2 9 30 2 10 31 2 32 11 -2 33 12 -1 34 13 -1 38 14 -2 15 16 2 15 32 1 16 39 1 17 29 2 17 35 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 30 1 24 28 1 37 24 -1 25 30 1 36 25 -1 26 31 1 35 26 -2 27 40 1 42 27 -2 29 36 1 31 40 1 32 38 1 33 34 1 33 36 1 34 39 1 35 42 1 37 41 1 37 42 1 38 41 1 39 41 1 40 42 1', 'C30H44O11', 580.322, 'C', 'hr51_1653_4', 4185, '', '', '1', 1, NULL, NULL),
(16687, 'Violide G', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[CH2:4][C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:44]34[C@H:66](O[C:170]([CH3:21])=O)[C@:72]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:75]2[CH:121]=[C:140]([CH3:27])[CH2:35][C@H:72](O[C:170]([CH3:21])=O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]3([CH3:15])[CH:138]=[CH:125][C@@H:71](O)[C@@:74]4([CH3:21])O', '38 41 H 16.78 -11.79 C:3002 19.56 -5.70 C:2002 15.25 -6.38 C:9002 16.04 -17.10 C:16 21.90 -10.28 C:20 14.93 -14.37 C:15 16.04 -9.36 C:18 17.18 -16.18 O 20.72 -7.76 O 14.38 -8.65 O 14.00 -15.87 O 20.16 -17.10 O 12.57 -13.00 O 13.71 -13.66 C:13 13.78 -10.96 C:14 14.93 -10.28 C:6 20.53 -12.29 C:4 19.71 -9.65 O 18.34 -7.84 O 16.78 -8.28 O 20.53 -14.68 O 16.15 -14.68 O 19.56 -14.68 C:3001 19.56 -7.10 C:2001 15.47 -7.76 C:9001 15.41 -15.87 C:5 20.53 -10.83 C:19 19.71 -15.79 C:12 13.78 -12.29 C:3 18.34 -9.24 C:7 19.71 -13.47 C:2 17.00 -9.65 C:9 16.87 -13.47 C:11 14.93 -13.00 C:1 16.04 -10.96 C:17 18.34 -15.39 C:10 16.04 -12.29 C:8 18.34 -13.98 37 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 34 6 -1 35 7 -1 36 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 29 13 -2 34 14 -2 15 16 2 15 29 1 16 35 1 17 27 2 17 31 1 18 27 1 18 30 1 19 24 1 30 19 -1 20 25 1 32 20 -1 21 28 1 31 21 -2 22 26 1 33 22 -1 23 36 1 38 23 -2 28 36 1 29 34 1 30 32 1 31 38 1 32 35 1 33 37 1 33 38 1 34 37 1 35 37 1 36 38 1', '38 41 H 16.78 -11.79 C 19.56 -5.70 C 15.25 -6.38 C 16.04 -17.10 C 21.90 -10.28 C 14.93 -14.37 C 16.04 -9.36 C 17.18 -16.18 O 20.72 -7.76 O 14.38 -8.65 O 14.00 -15.87 O 20.16 -17.10 O 12.57 -13.00 O 13.71 -13.66 C 13.78 -10.96 C 14.93 -10.28 C 20.53 -12.29 C 19.71 -9.65 O 18.34 -7.84 O 16.78 -8.28 O 20.53 -14.68 O 16.15 -14.68 O 19.56 -14.68 C 19.56 -7.10 C 15.47 -7.76 C 15.41 -15.87 C 20.53 -10.83 C 19.71 -15.79 C 13.78 -12.29 C 18.34 -9.24 C 19.71 -13.47 C 17.00 -9.65 C 16.87 -13.47 C 14.93 -13.00 C 16.04 -10.96 C 18.34 -15.39 C 16.04 -12.29 C 18.34 -13.98 37 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 34 6 -1 35 7 -1 36 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 29 13 -2 34 14 -2 15 16 2 15 29 1 16 35 1 17 27 2 17 31 1 18 27 1 18 30 1 19 24 1 30 19 -1 20 25 1 32 20 -1 21 28 1 31 21 -2 22 26 1 33 22 -1 23 36 1 38 23 -2 28 36 1 29 34 1 30 32 1 31 38 1 32 35 1 33 37 1 33 38 1 34 37 1 35 37 1 36 38 1', '38 41 H 16.78 -11.79 C:21 19.56 -5.70 C:21 15.25 -6.38 C:21 16.04 -17.10 C:27 21.90 -10.28 C:21 14.93 -14.37 C:15 16.04 -9.36 C:10 17.18 -16.18 O 20.72 -7.76 O 14.38 -8.65 O 14.00 -15.87 O 20.16 -17.10 O 12.57 -13.00 O 13.71 -13.66 C:125 13.78 -10.96 C:138 14.93 -10.28 C:121 20.53 -12.29 C:35 19.71 -9.65 O 18.34 -7.84 O 16.78 -8.28 O 20.53 -14.68 O 16.15 -14.68 O 19.56 -14.68 C:170 19.56 -7.10 C:169 15.47 -7.76 C:170 15.41 -15.87 C:140 20.53 -10.83 C:171 19.71 -15.79 C:71 13.78 -12.29 C:72 18.34 -9.24 C:75 19.71 -13.47 C:77 17.00 -9.65 C:66 16.87 -13.47 C:74 14.93 -13.00 C:47 16.04 -10.96 C:65 18.34 -15.39 C:44 16.04 -12.29 C:72 18.34 -13.98 37 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 34 6 -1 35 7 -1 36 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 29 13 -2 34 14 -2 15 16 2 15 29 1 16 35 1 17 27 2 17 31 1 18 27 1 18 30 1 19 24 1 30 19 -1 20 25 1 32 20 -1 21 28 1 31 21 -2 22 26 1 33 22 -1 23 36 1 38 23 -2 28 36 1 29 34 1 30 32 1 31 38 1 32 35 1 33 37 1 33 38 1 34 37 1 35 37 1 36 38 1', 'C26H34O11', 522.28, 'C', 'hr51_1653_5', 4185, '', '', '1', 1, NULL, NULL),
(16688, 'Violide H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCCCC)C[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:168]([CH3:22])=O)[C@:71]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:123]=[C:144]([CH3:26])[C@H:72](O[C:173](=O)[CH2:34][CH2:25][CH2:32][CH2:29][CH2:29][CH2:23][CH3:14])[CH2:38][C@H:78](O[C:170]([CH3:21])=O)[C@@:47]3([CH3:15])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '44 47 H 13.01 -12.39 C:4008 25.64 -5.15 C:2002 11.48 -6.99 C:9002 12.27 -17.69 C:16 18.13 -10.88 C:20 11.16 -14.97 C:15 12.27 -9.96 C:18 13.41 -16.77 O 10.61 -9.26 O 10.23 -16.46 O 18.66 -10.55 O 16.39 -17.69 O 8.81 -13.60 O 9.94 -14.26 C:13 10.01 -11.56 C:14 11.16 -10.88 C:6 16.76 -12.89 C:4007 24.81 -6.31 C:4006 23.41 -6.14 C:4005 22.59 -7.27 C:4004 21.19 -7.13 C:4003 20.37 -8.26 C:4002 18.98 -8.12 C:3 14.57 -9.84 O 13.01 -8.89 O 16.76 -9.13 O 12.38 -15.27 O 16.76 -15.27 O 15.79 -15.27 C:2001 11.70 -8.37 C:9001 11.64 -16.46 C:5 16.76 -11.43 C:4001 18.13 -9.26 C:19 15.94 -16.38 C:12 10.01 -12.89 C:4 15.94 -10.25 C:7 15.94 -14.07 C:2 13.23 -10.25 C:9 13.10 -14.07 C:11 11.16 -13.60 C:1 12.27 -11.56 C:17 14.57 -15.98 C:10 12.27 -12.89 C:8 14.57 -14.58 43 1 -2 2 18 1 3 30 1 4 31 1 5 32 1 40 6 -1 41 7 -1 42 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 40 14 -2 15 16 2 15 35 1 16 41 1 17 32 2 17 37 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 33 1 24 36 1 24 38 1 25 30 1 38 25 -1 26 33 1 36 26 -1 27 31 1 39 27 -1 28 34 1 37 28 -2 29 42 1 44 29 -2 32 36 1 34 42 1 35 40 1 37 44 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', '44 47 H 13.01 -12.39 C 25.64 -5.15 C 11.48 -6.99 C 12.27 -17.69 C 18.13 -10.88 C 11.16 -14.97 C 12.27 -9.96 C 13.41 -16.77 O 10.61 -9.26 O 10.23 -16.46 O 18.66 -10.55 O 16.39 -17.69 O 8.81 -13.60 O 9.94 -14.26 C 10.01 -11.56 C 11.16 -10.88 C 16.76 -12.89 C 24.81 -6.31 C 23.41 -6.14 C 22.59 -7.27 C 21.19 -7.13 C 20.37 -8.26 C 18.98 -8.12 C 14.57 -9.84 O 13.01 -8.89 O 16.76 -9.13 O 12.38 -15.27 O 16.76 -15.27 O 15.79 -15.27 C 11.70 -8.37 C 11.64 -16.46 C 16.76 -11.43 C 18.13 -9.26 C 15.94 -16.38 C 10.01 -12.89 C 15.94 -10.25 C 15.94 -14.07 C 13.23 -10.25 C 13.10 -14.07 C 11.16 -13.60 C 12.27 -11.56 C 14.57 -15.98 C 12.27 -12.89 C 14.57 -14.58 43 1 -2 2 18 1 3 30 1 4 31 1 5 32 1 40 6 -1 41 7 -1 42 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 40 14 -2 15 16 2 15 35 1 16 41 1 17 32 2 17 37 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 33 1 24 36 1 24 38 1 25 30 1 38 25 -1 26 33 1 36 26 -1 27 31 1 39 27 -1 28 34 1 37 28 -2 29 42 1 44 29 -2 32 36 1 34 42 1 35 40 1 37 44 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', '44 47 H 13.01 -12.39 C:14 25.64 -5.15 C:21 11.48 -6.99 C:22 12.27 -17.69 C:26 18.13 -10.88 C:21 11.16 -14.97 C:15 12.27 -9.96 C:10 13.41 -16.77 O 10.61 -9.26 O 10.23 -16.46 O 18.66 -10.55 O 16.39 -17.69 O 8.81 -13.60 O 9.94 -14.26 C:125 10.01 -11.56 C:139 11.16 -10.88 C:123 16.76 -12.89 C:23 24.81 -6.31 C:29 23.41 -6.14 C:29 22.59 -7.27 C:32 21.19 -7.13 C:25 20.37 -8.26 C:34 18.98 -8.12 C:38 14.57 -9.84 O 13.01 -8.89 O 16.76 -9.13 O 12.38 -15.27 O 16.76 -15.27 O 15.79 -15.27 C:170 11.70 -8.37 C:168 11.64 -16.46 C:144 16.76 -11.43 C:173 18.13 -9.26 C:171 15.94 -16.38 C:70 10.01 -12.89 C:72 15.94 -10.25 C:74 15.94 -14.07 C:78 13.23 -10.25 C:66 13.10 -14.07 C:74 11.16 -13.60 C:47 12.27 -11.56 C:65 14.57 -15.98 C:43 12.27 -12.89 C:71 14.57 -14.58 43 1 -2 2 18 1 3 30 1 4 31 1 5 32 1 40 6 -1 41 7 -1 42 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 40 14 -2 15 16 2 15 35 1 16 41 1 17 32 2 17 37 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 33 1 24 36 1 24 38 1 25 30 1 38 25 -1 26 33 1 36 26 -1 27 31 1 39 27 -1 28 34 1 37 28 -2 29 42 1 44 29 -2 32 36 1 34 42 1 35 40 1 37 44 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', 'C32H46O11', 606.344, 'C', 'hr51_1653_6', 4185, '', '', '1', 1, NULL, NULL),
(16689, 'Violide I', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH3:4006])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCC)C[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:170]([CH3:22])=O)[C@:71]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:123]=[C:144]([CH3:26])[C@H:72](O[C:173](=O)[CH2:34][CH2:31][CH2:25][CH2:22][CH3:14])[CH2:38][C@H:78](O[C:168]([CH3:21])=O)[C@@:47]3([CH3:15])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '42 45 H 14.14 -11.89 C:4006 24.54 -5.64 C:2002 12.61 -6.49 C:9002 13.40 -17.20 C:16 19.26 -10.38 C:20 12.29 -14.48 C:15 13.40 -9.46 C:18 14.54 -16.28 O 11.74 -8.76 O 11.36 -15.97 O 19.79 -10.05 O 17.52 -17.20 O 9.94 -13.10 O 11.07 -13.76 C:13 11.14 -11.06 C:14 12.29 -10.38 C:6 17.89 -12.39 C:4005 23.72 -6.77 C:4004 22.32 -6.63 C:4003 21.50 -7.76 C:4002 20.11 -7.62 C:3 15.70 -9.34 O 14.14 -8.39 O 17.89 -8.63 O 13.51 -14.78 O 17.89 -14.78 O 16.92 -14.78 C:2001 12.83 -7.87 C:9001 12.77 -15.97 C:5 17.89 -10.93 C:4001 19.26 -8.76 C:19 17.07 -15.89 C:12 11.14 -12.39 C:4 17.07 -9.75 C:7 17.07 -13.57 C:2 14.36 -9.75 C:9 14.23 -13.57 C:11 12.29 -13.10 C:1 13.40 -11.06 C:17 15.70 -15.49 C:10 13.40 -12.39 C:8 15.70 -14.08 41 1 -2 2 18 1 3 28 1 4 29 1 5 30 1 38 6 -1 39 7 -1 40 8 -1 9 28 2 10 29 2 11 31 2 12 32 2 33 13 -2 38 14 -2 15 16 2 15 33 1 16 39 1 17 30 2 17 35 1 18 19 1 19 20 1 20 21 1 21 31 1 22 34 1 22 36 1 23 28 1 36 23 -1 24 31 1 34 24 -1 25 29 1 37 25 -1 26 32 1 35 26 -2 27 40 1 42 27 -2 30 34 1 32 40 1 33 38 1 35 42 1 36 39 1 37 41 1 37 42 1 38 41 1 39 41 1 40 42 1', '42 45 H 14.14 -11.89 C 24.54 -5.64 C 12.61 -6.49 C 13.40 -17.20 C 19.26 -10.38 C 12.29 -14.48 C 13.40 -9.46 C 14.54 -16.28 O 11.74 -8.76 O 11.36 -15.97 O 19.79 -10.05 O 17.52 -17.20 O 9.94 -13.10 O 11.07 -13.76 C 11.14 -11.06 C 12.29 -10.38 C 17.89 -12.39 C 23.72 -6.77 C 22.32 -6.63 C 21.50 -7.76 C 20.11 -7.62 C 15.70 -9.34 O 14.14 -8.39 O 17.89 -8.63 O 13.51 -14.78 O 17.89 -14.78 O 16.92 -14.78 C 12.83 -7.87 C 12.77 -15.97 C 17.89 -10.93 C 19.26 -8.76 C 17.07 -15.89 C 11.14 -12.39 C 17.07 -9.75 C 17.07 -13.57 C 14.36 -9.75 C 14.23 -13.57 C 12.29 -13.10 C 13.40 -11.06 C 15.70 -15.49 C 13.40 -12.39 C 15.70 -14.08 41 1 -2 2 18 1 3 28 1 4 29 1 5 30 1 38 6 -1 39 7 -1 40 8 -1 9 28 2 10 29 2 11 31 2 12 32 2 33 13 -2 38 14 -2 15 16 2 15 33 1 16 39 1 17 30 2 17 35 1 18 19 1 19 20 1 20 21 1 21 31 1 22 34 1 22 36 1 23 28 1 36 23 -1 24 31 1 34 24 -1 25 29 1 37 25 -1 26 32 1 35 26 -2 27 40 1 42 27 -2 30 34 1 32 40 1 33 38 1 35 42 1 36 39 1 37 41 1 37 42 1 38 41 1 39 41 1 40 42 1', '42 45 H 14.14 -11.89 C:14 24.54 -5.64 C:21 12.61 -6.49 C:22 13.40 -17.20 C:26 19.26 -10.38 C:21 12.29 -14.48 C:15 13.40 -9.46 C:10 14.54 -16.28 O 11.74 -8.76 O 11.36 -15.97 O 19.79 -10.05 O 17.52 -17.20 O 9.94 -13.10 O 11.07 -13.76 C:125 11.14 -11.06 C:139 12.29 -10.38 C:123 17.89 -12.39 C:22 23.72 -6.77 C:25 22.32 -6.63 C:31 21.50 -7.76 C:34 20.11 -7.62 C:38 15.70 -9.34 O 14.14 -8.39 O 17.89 -8.63 O 13.51 -14.78 O 17.89 -14.78 O 16.92 -14.78 C:168 12.83 -7.87 C:170 12.77 -15.97 C:144 17.89 -10.93 C:173 19.26 -8.76 C:171 17.07 -15.89 C:70 11.14 -12.39 C:72 17.07 -9.75 C:74 17.07 -13.57 C:78 14.36 -9.75 C:66 14.23 -13.57 C:74 12.29 -13.10 C:47 13.40 -11.06 C:65 15.70 -15.49 C:43 13.40 -12.39 C:71 15.70 -14.08 41 1 -2 2 18 1 3 28 1 4 29 1 5 30 1 38 6 -1 39 7 -1 40 8 -1 9 28 2 10 29 2 11 31 2 12 32 2 33 13 -2 38 14 -2 15 16 2 15 33 1 16 39 1 17 30 2 17 35 1 18 19 1 19 20 1 20 21 1 21 31 1 22 34 1 22 36 1 23 28 1 36 23 -1 24 31 1 34 24 -1 25 29 1 37 25 -1 26 32 1 35 26 -2 27 40 1 42 27 -2 30 34 1 32 40 1 33 38 1 35 42 1 36 39 1 37 41 1 37 42 1 38 41 1 39 41 1 40 42 1', 'C30H42O11', 578.322, 'C', 'hr51_1653_7', 4185, '', '', '1', 1, NULL, NULL),
(16690, 'Deacetylumbraculolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3O', '[H][C@:43]13[C:151](=[CH2:111])[CH2:31][CH2:27][C@H:76](O[C:170]([CH3:21])=O)[C@:47]1([CH3:14])[C@@H:75](O[C:171]([CH3:21])=O)[CH2:30][CH2:32][C:146]([CH3:25])=[CH:120][C@@H:78]2O[C:177](=O)[C@H:44]([CH3:7])[C@@:84]2(O)[C@H:72]3O', '33 35 H 16.83 -11.67 C:20 14.96 -14.26 C:2002 17.97 -5.90 C:14002 13.75 -6.68 C:16 21.95 -10.15 C:18 17.23 -16.06 C:15 16.10 -9.25 O 19.26 -7.84 O 12.52 -8.79 O 20.20 -16.98 O 16.21 -14.56 O 18.39 -12.47 C:6 20.58 -12.17 C:4 19.75 -9.54 C:12 13.82 -12.17 C:3 18.39 -9.13 C:13 13.82 -10.83 O 16.83 -8.17 O 14.96 -8.79 O 20.58 -14.56 C:2001 17.97 -7.30 C:14001 13.75 -8.08 C:5 20.58 -10.70 C:11 14.96 -12.84 C:19 19.75 -15.66 C:17 18.39 -15.26 C:7 19.75 -13.36 C:2 17.05 -9.54 C:14 14.96 -10.15 C:9 16.92 -13.36 C:10 16.10 -12.17 C:1 16.10 -10.83 C:8 18.39 -13.87 31 1 -2 2 24 2 3 21 1 4 22 1 5 23 1 26 6 -2 32 7 -1 8 21 2 9 22 2 10 25 2 30 11 -1 33 12 -2 13 23 2 13 27 1 14 16 1 14 23 1 15 17 1 15 24 1 16 28 1 17 29 1 18 21 1 28 18 -1 19 22 1 29 19 -2 20 25 1 27 20 -2 24 31 1 25 26 1 26 33 1 27 33 1 28 32 1 29 32 1 30 31 1 30 33 1 31 32 1', '33 35 H 16.83 -11.67 C 14.96 -14.26 C 17.97 -5.90 C 13.75 -6.68 C 21.95 -10.15 C 17.23 -16.06 C 16.10 -9.25 O 19.26 -7.84 O 12.52 -8.79 O 20.20 -16.98 O 16.21 -14.56 O 18.39 -12.47 C 20.58 -12.17 C 19.75 -9.54 C 13.82 -12.17 C 18.39 -9.13 C 13.82 -10.83 O 16.83 -8.17 O 14.96 -8.79 O 20.58 -14.56 C 17.97 -7.30 C 13.75 -8.08 C 20.58 -10.70 C 14.96 -12.84 C 19.75 -15.66 C 18.39 -15.26 C 19.75 -13.36 C 17.05 -9.54 C 14.96 -10.15 C 16.92 -13.36 C 16.10 -12.17 C 16.10 -10.83 C 18.39 -13.87 31 1 -2 2 24 2 3 21 1 4 22 1 5 23 1 26 6 -2 32 7 -1 8 21 2 9 22 2 10 25 2 30 11 -1 33 12 -2 13 23 2 13 27 1 14 16 1 14 23 1 15 17 1 15 24 1 16 28 1 17 29 1 18 21 1 28 18 -1 19 22 1 29 19 -2 20 25 1 27 20 -2 24 31 1 25 26 1 26 33 1 27 33 1 28 32 1 29 32 1 30 31 1 30 33 1 31 32 1', '33 35 H 16.83 -11.67 C:111 14.96 -14.26 C:21 17.97 -5.90 C:21 13.75 -6.68 C:25 21.95 -10.15 C:7 17.23 -16.06 C:14 16.10 -9.25 O 19.26 -7.84 O 12.52 -8.79 O 20.20 -16.98 O 16.21 -14.56 O 18.39 -12.47 C:120 20.58 -12.17 C:32 19.75 -9.54 C:31 13.82 -12.17 C:30 18.39 -9.13 C:27 13.82 -10.83 O 16.83 -8.17 O 14.96 -8.79 O 20.58 -14.56 C:171 17.97 -7.30 C:170 13.75 -8.08 C:146 20.58 -10.70 C:151 14.96 -12.84 C:177 19.75 -15.66 C:44 18.39 -15.26 C:78 19.75 -13.36 C:75 17.05 -9.54 C:76 14.96 -10.15 C:72 16.92 -13.36 C:43 16.10 -12.17 C:47 16.10 -10.83 C:84 18.39 -13.87 31 1 -2 2 24 2 3 21 1 4 22 1 5 23 1 26 6 -2 32 7 -1 8 21 2 9 22 2 10 25 2 30 11 -1 33 12 -2 13 23 2 13 27 1 14 16 1 14 23 1 15 17 1 15 24 1 16 28 1 17 29 1 18 21 1 28 18 -1 19 22 1 29 19 -2 20 25 1 27 20 -2 24 31 1 25 26 1 26 33 1 27 33 1 28 32 1 29 32 1 30 31 1 30 33 1 31 32 1', 'C24H34O8', 450.26, 'C', 'hr60_1199_1', 4186, '', '', '1', 1, NULL, NULL),
(16691, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH3:4006])[C@@H:3](O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCC)[C@@H](O)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:44]34[C@H:65](O[C:170]([CH3:21])=O)[C@:71]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:124]=[C:141]([CH3:26])[C@H:77](O[C:174](=O)[CH2:34][CH2:31][CH2:25][CH2:22][CH3:14])[C@@H:72](O)[C@H:77](O[C:168]([CH3:21])=O)[C@@:47]3([CH3:16])[CH:138]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '43 46 H 14.14 -11.89 C:4006 24.55 -5.64 C:2002 12.61 -6.49 C:9002 13.40 -17.20 C:16 19.27 -10.39 C:20 12.29 -14.47 C:15 13.40 -9.47 C:18 14.54 -16.28 O 11.74 -8.76 O 11.36 -15.97 O 19.80 -10.06 O 17.52 -17.20 O 9.94 -13.10 O 15.70 -7.95 O 11.07 -13.76 C:13 11.14 -11.06 C:14 12.29 -10.39 C:6 17.89 -12.39 C:4005 23.73 -6.77 C:4004 22.33 -6.63 C:4003 21.51 -7.76 C:4002 20.12 -7.62 O 14.14 -8.39 O 17.89 -8.63 O 13.51 -14.78 O 17.89 -14.78 O 16.92 -14.78 C:2001 12.83 -7.87 C:9001 12.77 -15.97 C:5 17.89 -10.94 C:4001 19.27 -8.76 C:19 17.07 -15.89 C:12 11.14 -12.39 C:3 15.70 -9.35 C:7 17.07 -13.57 C:4 17.07 -9.76 C:2 14.36 -9.76 C:9 14.23 -13.57 C:11 12.29 -13.10 C:1 13.40 -11.06 C:17 15.70 -15.49 C:10 13.40 -12.39 C:8 15.70 -14.08 42 1 -2 2 19 1 3 28 1 4 29 1 5 30 1 39 6 -1 40 7 -1 41 8 -1 9 28 2 10 29 2 11 31 2 12 32 2 33 13 -2 34 14 -2 39 15 -2 16 17 2 16 33 1 17 40 1 18 30 2 18 35 1 19 20 1 20 21 1 21 22 1 22 31 1 23 28 1 37 23 -1 24 31 1 36 24 -1 25 29 1 38 25 -1 26 32 1 35 26 -2 27 41 1 43 27 -2 30 36 1 32 41 1 33 39 1 34 36 1 34 37 1 35 43 1 37 40 1 38 42 1 38 43 1 39 42 1 40 42 1 41 43 1', '43 46 H 14.14 -11.89 C 24.55 -5.64 C 12.61 -6.49 C 13.40 -17.20 C 19.27 -10.39 C 12.29 -14.47 C 13.40 -9.47 C 14.54 -16.28 O 11.74 -8.76 O 11.36 -15.97 O 19.80 -10.06 O 17.52 -17.20 O 9.94 -13.10 O 15.70 -7.95 O 11.07 -13.76 C 11.14 -11.06 C 12.29 -10.39 C 17.89 -12.39 C 23.73 -6.77 C 22.33 -6.63 C 21.51 -7.76 C 20.12 -7.62 O 14.14 -8.39 O 17.89 -8.63 O 13.51 -14.78 O 17.89 -14.78 O 16.92 -14.78 C 12.83 -7.87 C 12.77 -15.97 C 17.89 -10.94 C 19.27 -8.76 C 17.07 -15.89 C 11.14 -12.39 C 15.70 -9.35 C 17.07 -13.57 C 17.07 -9.76 C 14.36 -9.76 C 14.23 -13.57 C 12.29 -13.10 C 13.40 -11.06 C 15.70 -15.49 C 13.40 -12.39 C 15.70 -14.08 42 1 -2 2 19 1 3 28 1 4 29 1 5 30 1 39 6 -1 40 7 -1 41 8 -1 9 28 2 10 29 2 11 31 2 12 32 2 33 13 -2 34 14 -2 39 15 -2 16 17 2 16 33 1 17 40 1 18 30 2 18 35 1 19 20 1 20 21 1 21 22 1 22 31 1 23 28 1 37 23 -1 24 31 1 36 24 -1 25 29 1 38 25 -1 26 32 1 35 26 -2 27 41 1 43 27 -2 30 36 1 32 41 1 33 39 1 34 36 1 34 37 1 35 43 1 37 40 1 38 42 1 38 43 1 39 42 1 40 42 1 41 43 1', '43 46 H 14.14 -11.89 C:14 24.55 -5.64 C:21 12.61 -6.49 C:21 13.40 -17.20 C:26 19.27 -10.39 C:21 12.29 -14.47 C:16 13.40 -9.47 C:10 14.54 -16.28 O 11.74 -8.76 O 11.36 -15.97 O 19.80 -10.06 O 17.52 -17.20 O 9.94 -13.10 O 15.70 -7.95 O 11.07 -13.76 C:125 11.14 -11.06 C:138 12.29 -10.39 C:124 17.89 -12.39 C:22 23.73 -6.77 C:25 22.33 -6.63 C:31 21.51 -7.76 C:34 20.12 -7.62 O 14.14 -8.39 O 17.89 -8.63 O 13.51 -14.78 O 17.89 -14.78 O 16.92 -14.78 C:168 12.83 -7.87 C:170 12.77 -15.97 C:141 17.89 -10.94 C:174 19.27 -8.76 C:171 17.07 -15.89 C:70 11.14 -12.39 C:72 15.70 -9.35 C:74 17.07 -13.57 C:77 17.07 -9.76 C:77 14.36 -9.76 C:65 14.23 -13.57 C:74 12.29 -13.10 C:47 13.40 -11.06 C:65 15.70 -15.49 C:44 13.40 -12.39 C:71 15.70 -14.08 42 1 -2 2 19 1 3 28 1 4 29 1 5 30 1 39 6 -1 40 7 -1 41 8 -1 9 28 2 10 29 2 11 31 2 12 32 2 33 13 -2 34 14 -2 39 15 -2 16 17 2 16 33 1 17 40 1 18 30 2 18 35 1 19 20 1 20 21 1 21 22 1 22 31 1 23 28 1 37 23 -1 24 31 1 36 24 -1 25 29 1 38 25 -1 26 32 1 35 26 -2 27 41 1 43 27 -2 30 36 1 32 41 1 33 39 1 34 36 1 34 37 1 35 43 1 37 40 1 38 42 1 38 43 1 39 42 1 40 42 1 41 43 1', 'C30H42O12', 594.322, 'C', 'hr65_607_1', 4187, '', '', '1', 1, NULL, NULL),
(16692, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O)[C@@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH2:3004][CH2:3005][CH2:3006][CH2:3007][CH3:3008])[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](O)[C@@H](OC(=O)CCCCCCC)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:170]([CH3:21])=O)[C@:72]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:73]2[CH:124]=[C:143]([CH3:26])[C@H:76](O)[C@@H:74](O[C:173](=O)[CH2:35][CH2:32][CH2:25][CH2:29][CH2:29][CH2:23][CH3:14])[C@H:78](O[C:170]([CH3:21])=O)[C@@:47]3([CH3:16])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '45 48 H 16.16 -14.92 C:3008 22.57 -2.57 C:2002 14.63 -9.51 C:9002 15.42 -20.23 C:16 21.29 -13.42 C:20 14.31 -17.50 C:15 15.42 -12.49 C:18 16.56 -19.31 O 13.76 -11.78 O 13.38 -19.00 O 20.14 -10.97 O 19.54 -20.23 O 11.96 -16.13 O 19.91 -11.65 O 13.09 -16.79 C:13 13.16 -14.09 C:14 14.31 -13.42 C:6 19.91 -15.42 C:3007 22.57 -3.97 C:3006 21.36 -4.67 C:3005 21.36 -6.07 C:3004 20.14 -6.77 C:3003 20.14 -8.17 C:3002 18.94 -8.87 O 16.16 -11.41 O 17.72 -10.97 O 15.53 -17.81 O 19.91 -17.81 O 18.94 -17.81 C:2001 14.85 -10.89 C:9001 14.79 -19.00 C:5 19.91 -13.97 C:3001 18.94 -10.27 C:19 19.09 -18.92 C:12 13.16 -15.42 C:4 19.09 -12.78 C:7 19.09 -16.60 C:3 17.72 -12.37 C:2 16.38 -12.78 C:9 16.25 -16.60 C:11 14.31 -16.13 C:1 15.42 -14.09 C:17 17.72 -18.52 C:10 15.42 -15.42 C:8 17.72 -17.11 44 1 -2 2 19 1 3 30 1 4 31 1 5 32 1 41 6 -1 42 7 -1 43 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 36 14 -1 41 15 -2 16 17 2 16 35 1 17 42 1 18 32 2 18 37 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 30 1 39 25 -1 26 33 1 38 26 -2 27 31 1 40 27 -1 28 34 1 37 28 -2 29 43 1 45 29 -2 32 36 1 34 43 1 35 41 1 36 38 1 37 45 1 38 39 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', '45 48 H 16.16 -14.92 C 22.57 -2.57 C 14.63 -9.51 C 15.42 -20.23 C 21.29 -13.42 C 14.31 -17.50 C 15.42 -12.49 C 16.56 -19.31 O 13.76 -11.78 O 13.38 -19.00 O 20.14 -10.97 O 19.54 -20.23 O 11.96 -16.13 O 19.91 -11.65 O 13.09 -16.79 C 13.16 -14.09 C 14.31 -13.42 C 19.91 -15.42 C 22.57 -3.97 C 21.36 -4.67 C 21.36 -6.07 C 20.14 -6.77 C 20.14 -8.17 C 18.94 -8.87 O 16.16 -11.41 O 17.72 -10.97 O 15.53 -17.81 O 19.91 -17.81 O 18.94 -17.81 C 14.85 -10.89 C 14.79 -19.00 C 19.91 -13.97 C 18.94 -10.27 C 19.09 -18.92 C 13.16 -15.42 C 19.09 -12.78 C 19.09 -16.60 C 17.72 -12.37 C 16.38 -12.78 C 16.25 -16.60 C 14.31 -16.13 C 15.42 -14.09 C 17.72 -18.52 C 15.42 -15.42 C 17.72 -17.11 44 1 -2 2 19 1 3 30 1 4 31 1 5 32 1 41 6 -1 42 7 -1 43 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 36 14 -1 41 15 -2 16 17 2 16 35 1 17 42 1 18 32 2 18 37 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 30 1 39 25 -1 26 33 1 38 26 -2 27 31 1 40 27 -1 28 34 1 37 28 -2 29 43 1 45 29 -2 32 36 1 34 43 1 35 41 1 36 38 1 37 45 1 38 39 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', '45 48 H 16.16 -14.92 C:14 22.57 -2.57 C:21 14.63 -9.51 C:21 15.42 -20.23 C:26 21.29 -13.42 C:21 14.31 -17.50 C:16 15.42 -12.49 C:10 16.56 -19.31 O 13.76 -11.78 O 13.38 -19.00 O 20.14 -10.97 O 19.54 -20.23 O 11.96 -16.13 O 19.91 -11.65 O 13.09 -16.79 C:125 13.16 -14.09 C:139 14.31 -13.42 C:124 19.91 -15.42 C:23 22.57 -3.97 C:29 21.36 -4.67 C:29 21.36 -6.07 C:25 20.14 -6.77 C:32 20.14 -8.17 C:35 18.94 -8.87 O 16.16 -11.41 O 17.72 -10.97 O 15.53 -17.81 O 19.91 -17.81 O 18.94 -17.81 C:170 14.85 -10.89 C:170 14.79 -19.00 C:143 19.91 -13.97 C:173 18.94 -10.27 C:171 19.09 -18.92 C:70 13.16 -15.42 C:76 19.09 -12.78 C:73 19.09 -16.60 C:74 17.72 -12.37 C:78 16.38 -12.78 C:66 16.25 -16.60 C:74 14.31 -16.13 C:47 15.42 -14.09 C:65 17.72 -18.52 C:43 15.42 -15.42 C:72 17.72 -17.11 44 1 -2 2 19 1 3 30 1 4 31 1 5 32 1 41 6 -1 42 7 -1 43 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 36 14 -1 41 15 -2 16 17 2 16 35 1 17 42 1 18 32 2 18 37 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 30 1 39 25 -1 26 33 1 38 26 -2 27 31 1 40 27 -1 28 34 1 37 28 -2 29 43 1 45 29 -2 32 36 1 34 43 1 35 41 1 36 38 1 37 45 1 38 39 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', 'C32H46O12', 622.343, 'C', 'hr65_607_2', 4187, '', '', '1', 1, NULL, NULL),
(16693, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@H:12](O)[C@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCCCC)C[C@H](OC(C)=O)[C@@]3(C)C=C[C@H](O)[C@]4(C)O', '[H][C@@:44]34[C@H:67](O[C:170]([CH3:22])=O)[C@:70]12O[C@:63]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:123]=[C:145]([CH3:26])[C@H:72](O[C:173](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[CH2:39][C@H:77](O[C:169]([CH3:21])=O)[C@@:45]3([CH3:18])[CH:139]=[CH:124][C@H:72](O)[C@:75]4([CH3:28])O', '44 47 H 13.02 -12.39 C:4008 25.64 -5.15 C:2002 11.49 -6.99 C:9002 12.28 -17.70 C:16 18.15 -10.89 C:20 11.17 -14.97 C:15 12.28 -9.97 C:18 13.42 -16.78 O 10.62 -9.26 O 10.24 -16.47 O 18.68 -10.56 O 16.40 -17.70 O 8.82 -13.60 O 9.95 -14.26 C:13 10.02 -11.56 C:14 11.17 -10.89 C:6 16.77 -12.89 C:4007 24.82 -6.29 C:4006 23.43 -6.14 C:4005 22.61 -7.27 C:4004 21.21 -7.13 C:4003 20.39 -8.26 C:4002 19.00 -8.12 C:3 14.58 -9.85 O 13.02 -8.89 O 16.77 -9.13 O 12.39 -15.28 O 16.77 -15.28 O 15.80 -15.28 C:2001 11.71 -8.37 C:9001 11.65 -16.47 C:5 16.77 -11.44 C:4001 18.15 -9.26 C:19 15.95 -16.39 C:12 10.02 -12.89 C:4 15.95 -10.26 C:7 15.95 -14.07 C:2 13.24 -10.26 C:9 13.11 -14.07 C:11 11.17 -13.60 C:1 12.28 -11.56 C:17 14.58 -15.99 C:10 12.28 -12.89 C:8 14.58 -14.58 43 1 -2 2 18 1 3 30 1 4 31 1 5 32 1 40 6 -2 41 7 -1 42 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -1 40 14 -1 15 16 2 15 35 1 16 41 1 17 32 2 17 37 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 33 1 24 36 1 24 38 1 25 30 1 38 25 -1 26 33 1 36 26 -1 27 31 1 39 27 -1 28 34 1 37 28 -2 29 42 1 44 29 -2 32 36 1 34 42 1 35 40 1 37 44 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', '44 47 H 13.02 -12.39 C 25.64 -5.15 C 11.49 -6.99 C 12.28 -17.70 C 18.15 -10.89 C 11.17 -14.97 C 12.28 -9.97 C 13.42 -16.78 O 10.62 -9.26 O 10.24 -16.47 O 18.68 -10.56 O 16.40 -17.70 O 8.82 -13.60 O 9.95 -14.26 C 10.02 -11.56 C 11.17 -10.89 C 16.77 -12.89 C 24.82 -6.29 C 23.43 -6.14 C 22.61 -7.27 C 21.21 -7.13 C 20.39 -8.26 C 19.00 -8.12 C 14.58 -9.85 O 13.02 -8.89 O 16.77 -9.13 O 12.39 -15.28 O 16.77 -15.28 O 15.80 -15.28 C 11.71 -8.37 C 11.65 -16.47 C 16.77 -11.44 C 18.15 -9.26 C 15.95 -16.39 C 10.02 -12.89 C 15.95 -10.26 C 15.95 -14.07 C 13.24 -10.26 C 13.11 -14.07 C 11.17 -13.60 C 12.28 -11.56 C 14.58 -15.99 C 12.28 -12.89 C 14.58 -14.58 43 1 -2 2 18 1 3 30 1 4 31 1 5 32 1 40 6 -2 41 7 -1 42 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -1 40 14 -1 15 16 2 15 35 1 16 41 1 17 32 2 17 37 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 33 1 24 36 1 24 38 1 25 30 1 38 25 -1 26 33 1 36 26 -1 27 31 1 39 27 -1 28 34 1 37 28 -2 29 42 1 44 29 -2 32 36 1 34 42 1 35 40 1 37 44 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', '44 47 H 13.02 -12.39 C:14 25.64 -5.15 C:21 11.49 -6.99 C:22 12.28 -17.70 C:26 18.15 -10.89 C:28 11.17 -14.97 C:18 12.28 -9.97 C:10 13.42 -16.78 O 10.62 -9.26 O 10.24 -16.47 O 18.68 -10.56 O 16.40 -17.70 O 8.82 -13.60 O 9.95 -14.26 C:124 10.02 -11.56 C:139 11.17 -10.89 C:123 16.77 -12.89 C:23 24.82 -6.29 C:32 23.43 -6.14 C:29 22.61 -7.27 C:29 21.21 -7.13 C:25 20.39 -8.26 C:34 19.00 -8.12 C:39 14.58 -9.85 O 13.02 -8.89 O 16.77 -9.13 O 12.39 -15.28 O 16.77 -15.28 O 15.80 -15.28 C:169 11.71 -8.37 C:170 11.65 -16.47 C:145 16.77 -11.44 C:173 18.15 -9.26 C:171 15.95 -16.39 C:72 10.02 -12.89 C:72 15.95 -10.26 C:74 15.95 -14.07 C:77 13.24 -10.26 C:67 13.11 -14.07 C:75 11.17 -13.60 C:45 12.28 -11.56 C:63 14.58 -15.99 C:44 12.28 -12.89 C:70 14.58 -14.58 43 1 -2 2 18 1 3 30 1 4 31 1 5 32 1 40 6 -2 41 7 -1 42 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -1 40 14 -1 15 16 2 15 35 1 16 41 1 17 32 2 17 37 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 33 1 24 36 1 24 38 1 25 30 1 38 25 -1 26 33 1 36 26 -1 27 31 1 39 27 -1 28 34 1 37 28 -2 29 42 1 44 29 -2 32 36 1 34 42 1 35 40 1 37 44 1 38 41 1 39 43 1 39 44 1 40 43 1 41 43 1 42 44 1', 'C32H46O11', 606.344, 'C', 'hr65_607_3', 4187, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16694, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@H:11]([CH3:20])[C@@H:12](O)[CH:13]=[CH:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@@H:4](O[C:4001]([CH3:4002])=O)[C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@H](C)[C@@H](O)C=C[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:40]14[C@H:38]([CH3:17])[C@@H:68](O)[CH:128]=[CH:136][C@:44]1([CH3:16])[C@@H:76](O[C:169]([CH3:21])=O)[C@H:71](O[C:170]([CH3:21])=O)[C@@H:77](O[C:170]([CH3:21])=O)[C:141]([CH3:26])=[CH:126][C@@H:74]2O[C:171](=O)[C@@:62]3([CH3:10])O[C@:71]23[C@H:68]4O[C:170]([CH3:21])=O', '41 44 H 16.39 -11.78 C:4002 22.36 -7.51 C:3002 19.16 -5.72 C:2002 14.86 -6.38 C:9002 15.65 -17.09 C:16 21.51 -10.28 C:20 14.54 -14.36 C:15 15.65 -9.36 C:18 16.79 -16.17 O 22.04 -9.95 O 20.34 -7.84 O 13.99 -8.65 O 13.61 -15.86 O 19.76 -17.09 O 12.19 -12.99 C:13 13.39 -10.95 C:14 14.54 -10.28 C:6 20.13 -12.28 O 20.13 -8.52 O 17.95 -7.84 O 20.13 -14.67 O 16.39 -8.28 O 15.76 -14.67 O 19.16 -14.67 C:4001 21.51 -8.65 C:3001 19.16 -7.12 C:2001 15.08 -7.76 C:9001 15.02 -15.86 C:5 20.13 -10.83 C:19 19.31 -15.78 C:11 14.54 -12.99 C:12 13.39 -12.28 C:7 19.31 -13.46 C:4 19.31 -9.65 C:3 17.95 -9.24 C:2 16.61 -9.65 C:9 16.48 -13.46 C:1 15.65 -10.95 C:17 17.95 -15.38 C:10 15.65 -12.28 C:8 17.95 -13.97 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 31 7 -2 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 30 2 32 15 -1 16 17 2 16 32 1 17 38 1 18 29 2 18 33 1 19 25 1 34 19 -1 20 26 1 35 20 -2 21 30 1 33 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -1 24 39 1 41 24 -2 29 34 1 30 39 1 31 32 1 31 40 1 33 41 1 34 35 1 35 36 1 36 38 1 37 40 1 37 41 1 38 40 1 39 41 1', '41 44 H 16.39 -11.78 C 22.36 -7.51 C 19.16 -5.72 C 14.86 -6.38 C 15.65 -17.09 C 21.51 -10.28 C 14.54 -14.36 C 15.65 -9.36 C 16.79 -16.17 O 22.04 -9.95 O 20.34 -7.84 O 13.99 -8.65 O 13.61 -15.86 O 19.76 -17.09 O 12.19 -12.99 C 13.39 -10.95 C 14.54 -10.28 C 20.13 -12.28 O 20.13 -8.52 O 17.95 -7.84 O 20.13 -14.67 O 16.39 -8.28 O 15.76 -14.67 O 19.16 -14.67 C 21.51 -8.65 C 19.16 -7.12 C 15.08 -7.76 C 15.02 -15.86 C 20.13 -10.83 C 19.31 -15.78 C 14.54 -12.99 C 13.39 -12.28 C 19.31 -13.46 C 19.31 -9.65 C 17.95 -9.24 C 16.61 -9.65 C 16.48 -13.46 C 15.65 -10.95 C 17.95 -15.38 C 15.65 -12.28 C 17.95 -13.97 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 31 7 -2 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 30 2 32 15 -1 16 17 2 16 32 1 17 38 1 18 29 2 18 33 1 19 25 1 34 19 -1 20 26 1 35 20 -2 21 30 1 33 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -1 24 39 1 41 24 -2 29 34 1 30 39 1 31 32 1 31 40 1 33 41 1 34 35 1 35 36 1 36 38 1 37 40 1 37 41 1 38 40 1 39 41 1', '41 44 H 16.39 -11.78 C:21 22.36 -7.51 C:21 19.16 -5.72 C:21 14.86 -6.38 C:21 15.65 -17.09 C:26 21.51 -10.28 C:17 14.54 -14.36 C:16 15.65 -9.36 C:10 16.79 -16.17 O 22.04 -9.95 O 20.34 -7.84 O 13.99 -8.65 O 13.61 -15.86 O 19.76 -17.09 O 12.19 -12.99 C:128 13.39 -10.95 C:136 14.54 -10.28 C:126 20.13 -12.28 O 20.13 -8.52 O 17.95 -7.84 O 20.13 -14.67 O 16.39 -8.28 O 15.76 -14.67 O 19.16 -14.67 C:170 21.51 -8.65 C:170 19.16 -7.12 C:169 15.08 -7.76 C:170 15.02 -15.86 C:141 20.13 -10.83 C:171 19.31 -15.78 C:38 14.54 -12.99 C:68 13.39 -12.28 C:74 19.31 -13.46 C:77 19.31 -9.65 C:71 17.95 -9.24 C:76 16.61 -9.65 C:68 16.48 -13.46 C:44 15.65 -10.95 C:62 17.95 -15.38 C:40 15.65 -12.28 C:71 17.95 -13.97 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 31 7 -2 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 30 2 32 15 -1 16 17 2 16 32 1 17 38 1 18 29 2 18 33 1 19 25 1 34 19 -1 20 26 1 35 20 -2 21 30 1 33 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -1 24 39 1 41 24 -2 29 34 1 30 39 1 31 32 1 31 40 1 33 41 1 34 35 1 35 36 1 36 38 1 37 40 1 37 41 1 38 40 1 39 41 1', 'C28H36O12', 564.3, 'C', 'hr65_607_4', 4187, '', '', '1', 1, NULL, NULL),
(16695, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@@]3(C)O', '[H][C@@:40]12[C@H:66](O[C:172]([CH3:22])=O)[C@@:79]3(O)[C@H:78]([CH:127]=[C:139]([CH3:26])[C@H:76](O[C:173](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[C@@H:71](O[C:170]([CH3:21])=O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]1([CH3:16])[CH:139]=[CH:124][C@@H:71](O)[C@@:76]2([CH3:23])O)O[C:176](=O)[C@@:80]3([CH3:17])O', '49 51 H 13.02 -12.33 C:4008 25.68 -5.18 C:3002 15.80 -6.28 C:2002 11.49 -6.93 C:9002 12.28 -17.65 C:16 18.14 -10.83 C:18 14.03 -17.22 C:20 11.16 -14.91 C:15 12.28 -9.91 O 16.97 -8.39 O 10.61 -9.20 O 10.23 -16.42 O 18.67 -10.50 O 16.40 -17.65 O 8.82 -13.54 O 13.19 -16.10 O 9.99 -14.29 O 14.58 -13.12 C:13 9.99 -11.50 C:14 11.16 -10.83 C:6 16.76 -12.83 C:4007 24.84 -6.28 C:4006 23.44 -6.14 C:4005 22.60 -7.26 C:4004 21.21 -7.10 C:4003 20.38 -8.22 C:4002 18.99 -8.06 O 14.58 -8.39 O 13.02 -8.83 O 12.39 -15.22 O 16.76 -9.07 O 16.76 -15.22 C:3001 15.80 -7.67 C:2001 11.71 -8.31 C:9001 11.65 -16.42 C:5 16.76 -11.38 C:4001 18.14 -9.20 C:19 15.95 -16.34 C:12 9.99 -12.83 C:7 15.95 -14.01 C:4 15.95 -10.20 C:3 14.58 -9.79 C:2 13.19 -10.20 C:9 13.11 -14.01 C:17 14.58 -15.94 C:11 11.16 -13.54 C:1 12.28 -11.50 C:10 12.28 -12.83 C:8 14.58 -14.52 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -2 46 8 -1 47 9 -1 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 45 16 -1 46 17 -2 49 18 -2 19 20 2 19 39 1 20 47 1 21 36 2 21 40 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 42 28 -2 29 34 1 43 29 -1 30 35 1 44 30 -1 31 37 1 41 31 -1 32 38 1 40 32 -2 36 41 1 38 45 1 39 46 1 40 49 1 41 42 1 42 43 1 43 47 1 44 48 1 44 49 1 45 49 1 46 48 1 47 48 1', '49 51 H 13.02 -12.33 C 25.68 -5.18 C 15.80 -6.28 C 11.49 -6.93 C 12.28 -17.65 C 18.14 -10.83 C 14.03 -17.22 C 11.16 -14.91 C 12.28 -9.91 O 16.97 -8.39 O 10.61 -9.20 O 10.23 -16.42 O 18.67 -10.50 O 16.40 -17.65 O 8.82 -13.54 O 13.19 -16.10 O 9.99 -14.29 O 14.58 -13.12 C 9.99 -11.50 C 11.16 -10.83 C 16.76 -12.83 C 24.84 -6.28 C 23.44 -6.14 C 22.60 -7.26 C 21.21 -7.10 C 20.38 -8.22 C 18.99 -8.06 O 14.58 -8.39 O 13.02 -8.83 O 12.39 -15.22 O 16.76 -9.07 O 16.76 -15.22 C 15.80 -7.67 C 11.71 -8.31 C 11.65 -16.42 C 16.76 -11.38 C 18.14 -9.20 C 15.95 -16.34 C 9.99 -12.83 C 15.95 -14.01 C 15.95 -10.20 C 14.58 -9.79 C 13.19 -10.20 C 13.11 -14.01 C 14.58 -15.94 C 11.16 -13.54 C 12.28 -11.50 C 12.28 -12.83 C 14.58 -14.52 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -2 46 8 -1 47 9 -1 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 45 16 -1 46 17 -2 49 18 -2 19 20 2 19 39 1 20 47 1 21 36 2 21 40 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 42 28 -2 29 34 1 43 29 -1 30 35 1 44 30 -1 31 37 1 41 31 -1 32 38 1 40 32 -2 36 41 1 38 45 1 39 46 1 40 49 1 41 42 1 42 43 1 43 47 1 44 48 1 44 49 1 45 49 1 46 48 1 47 48 1', '49 51 H 13.02 -12.33 C:14 25.68 -5.18 C:21 15.80 -6.28 C:21 11.49 -6.93 C:22 12.28 -17.65 C:26 18.14 -10.83 C:17 14.03 -17.22 C:23 11.16 -14.91 C:16 12.28 -9.91 O 16.97 -8.39 O 10.61 -9.20 O 10.23 -16.42 O 18.67 -10.50 O 16.40 -17.65 O 8.82 -13.54 O 13.19 -16.10 O 9.99 -14.29 O 14.58 -13.12 C:124 9.99 -11.50 C:139 11.16 -10.83 C:127 16.76 -12.83 C:23 24.84 -6.28 C:32 23.44 -6.14 C:29 22.60 -7.26 C:29 21.21 -7.10 C:25 20.38 -8.22 C:34 18.99 -8.06 O 14.58 -8.39 O 13.02 -8.83 O 12.39 -15.22 O 16.76 -9.07 O 16.76 -15.22 C:170 15.80 -7.67 C:169 11.71 -8.31 C:172 11.65 -16.42 C:139 16.76 -11.38 C:173 18.14 -9.20 C:176 15.95 -16.34 C:71 9.99 -12.83 C:78 15.95 -14.01 C:76 15.95 -10.20 C:71 14.58 -9.79 C:77 13.19 -10.20 C:66 13.11 -14.01 C:80 14.58 -15.94 C:76 11.16 -13.54 C:47 12.28 -11.50 C:40 12.28 -12.83 C:79 14.58 -14.52 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -2 46 8 -1 47 9 -1 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 45 16 -1 46 17 -2 49 18 -2 19 20 2 19 39 1 20 47 1 21 36 2 21 40 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 42 28 -2 29 34 1 43 29 -1 30 35 1 44 30 -1 31 37 1 41 31 -1 32 38 1 40 32 -2 36 41 1 38 45 1 39 46 1 40 49 1 41 42 1 42 43 1 43 47 1 44 48 1 44 49 1 45 49 1 46 48 1 47 48 1', 'C34H50O14', 682.363, 'C', 'hr65_607_5', 4187, '', '', '1', 1, NULL, NULL),
(16696, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001]([CH3:4002])=O)[C@@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH3:3004])[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(C)=O)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@@]3(C)O', '[H][C@@:40]12[C@H:68](O[C:174]([CH3:23])=O)[C@@:80]3(O)[C@H:79]([CH:129]=[C:139]([CH3:26])[C@H:78](O[C:172]([CH3:21])=O)[C@@H:73](O[C:173](=O)[CH2:37][CH2:20][CH3:14])[C@H:79](O[C:172]([CH3:21])=O)[C@@:48]1([CH3:17])[CH:140]=[CH:126][C@@H:72](O)[C@@:77]2([CH3:23])O)O[C:179](=O)[C@@:81]3([CH3:16])O', '45 47 H 16.39 -12.83 C:3004 20.33 -4.68 C:4002 22.35 -8.56 C:2002 14.86 -7.43 C:9002 15.65 -18.15 C:16 21.50 -11.33 C:18 17.39 -17.72 C:20 14.53 -15.42 C:15 15.65 -10.41 O 22.03 -11.00 O 13.98 -9.70 O 13.60 -16.92 O 20.33 -8.89 O 19.76 -18.15 O 12.18 -14.05 O 16.56 -16.61 O 13.36 -14.80 O 17.94 -13.63 C:13 13.36 -12.00 C:14 14.53 -11.33 C:6 20.12 -13.34 C:3003 20.33 -6.08 C:3002 19.16 -6.78 O 20.12 -9.57 O 16.39 -9.33 O 15.76 -15.73 O 17.94 -8.89 O 20.12 -15.73 C:4001 21.50 -9.70 C:2001 15.08 -8.81 C:9001 15.02 -16.92 C:5 20.12 -11.88 C:3001 19.16 -8.17 C:19 19.31 -16.85 C:12 13.36 -13.34 C:7 19.31 -14.52 C:4 19.31 -10.70 C:3 17.94 -10.29 C:2 16.56 -10.70 C:9 16.48 -14.52 C:17 17.94 -16.45 C:11 14.53 -14.05 C:1 15.65 -12.00 C:10 15.65 -13.34 C:8 17.94 -15.03 44 1 -2 2 22 1 3 29 1 4 30 1 5 31 1 6 32 1 41 7 -2 42 8 -1 43 9 -1 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 35 15 -2 41 16 -1 42 17 -2 45 18 -2 19 20 2 19 35 1 20 43 1 21 32 2 21 36 1 22 23 1 23 33 1 24 29 1 37 24 -1 25 30 1 39 25 -1 26 31 1 40 26 -1 27 33 1 38 27 -2 28 34 1 36 28 -2 32 37 1 34 41 1 35 42 1 36 45 1 37 38 1 38 39 1 39 43 1 40 44 1 40 45 1 41 45 1 42 44 1 43 44 1', '45 47 H 16.39 -12.83 C 20.33 -4.68 C 22.35 -8.56 C 14.86 -7.43 C 15.65 -18.15 C 21.50 -11.33 C 17.39 -17.72 C 14.53 -15.42 C 15.65 -10.41 O 22.03 -11.00 O 13.98 -9.70 O 13.60 -16.92 O 20.33 -8.89 O 19.76 -18.15 O 12.18 -14.05 O 16.56 -16.61 O 13.36 -14.80 O 17.94 -13.63 C 13.36 -12.00 C 14.53 -11.33 C 20.12 -13.34 C 20.33 -6.08 C 19.16 -6.78 O 20.12 -9.57 O 16.39 -9.33 O 15.76 -15.73 O 17.94 -8.89 O 20.12 -15.73 C 21.50 -9.70 C 15.08 -8.81 C 15.02 -16.92 C 20.12 -11.88 C 19.16 -8.17 C 19.31 -16.85 C 13.36 -13.34 C 19.31 -14.52 C 19.31 -10.70 C 17.94 -10.29 C 16.56 -10.70 C 16.48 -14.52 C 17.94 -16.45 C 14.53 -14.05 C 15.65 -12.00 C 15.65 -13.34 C 17.94 -15.03 44 1 -2 2 22 1 3 29 1 4 30 1 5 31 1 6 32 1 41 7 -2 42 8 -1 43 9 -1 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 35 15 -2 41 16 -1 42 17 -2 45 18 -2 19 20 2 19 35 1 20 43 1 21 32 2 21 36 1 22 23 1 23 33 1 24 29 1 37 24 -1 25 30 1 39 25 -1 26 31 1 40 26 -1 27 33 1 38 27 -2 28 34 1 36 28 -2 32 37 1 34 41 1 35 42 1 36 45 1 37 38 1 38 39 1 39 43 1 40 44 1 40 45 1 41 45 1 42 44 1 43 44 1', '45 47 H 16.39 -12.83 C:14 20.33 -4.68 C:21 22.35 -8.56 C:21 14.86 -7.43 C:23 15.65 -18.15 C:26 21.50 -11.33 C:16 17.39 -17.72 C:23 14.53 -15.42 C:17 15.65 -10.41 O 22.03 -11.00 O 13.98 -9.70 O 13.60 -16.92 O 20.33 -8.89 O 19.76 -18.15 O 12.18 -14.05 O 16.56 -16.61 O 13.36 -14.80 O 17.94 -13.63 C:126 13.36 -12.00 C:140 14.53 -11.33 C:129 20.12 -13.34 C:20 20.33 -6.08 C:37 19.16 -6.78 O 20.12 -9.57 O 16.39 -9.33 O 15.76 -15.73 O 17.94 -8.89 O 20.12 -15.73 C:172 21.50 -9.70 C:172 15.08 -8.81 C:174 15.02 -16.92 C:139 20.12 -11.88 C:173 19.16 -8.17 C:179 19.31 -16.85 C:72 13.36 -13.34 C:79 19.31 -14.52 C:78 19.31 -10.70 C:73 17.94 -10.29 C:79 16.56 -10.70 C:68 16.48 -14.52 C:81 17.94 -16.45 C:77 14.53 -14.05 C:48 15.65 -12.00 C:40 15.65 -13.34 C:80 17.94 -15.03 44 1 -2 2 22 1 3 29 1 4 30 1 5 31 1 6 32 1 41 7 -2 42 8 -1 43 9 -1 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 35 15 -2 41 16 -1 42 17 -2 45 18 -2 19 20 2 19 35 1 20 43 1 21 32 2 21 36 1 22 23 1 23 33 1 24 29 1 37 24 -1 25 30 1 39 25 -1 26 31 1 40 26 -1 27 33 1 38 27 -2 28 34 1 36 28 -2 32 37 1 34 41 1 35 42 1 36 45 1 37 38 1 38 39 1 39 43 1 40 44 1 40 45 1 41 45 1 42 44 1 43 44 1', 'C30H42O14', 626.321, 'M', 'hr65_607_6', 4187, '', '', '1', 1, NULL, NULL),
(16697, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(=O)CCCCCCC)C[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@@]3(C)O', '[H][C@@:40]12[C@H:67](O[C:171]([CH3:22])=O)[C@@:79]3(O)[C@H:78]([CH:125]=[C:142]([CH3:26])[C@H:72](O[C:173](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[CH2:38][C@H:78](O[C:170]([CH3:21])=O)[C@@:46]1([CH3:15])[CH:139]=[CH:123][C@@H:71](O)[C@@:76]2([CH3:23])O)O[C:176](=O)[C@@:80]3([CH3:17])O', '45 47 H 13.02 -12.32 C:4008 25.66 -5.18 C:2002 11.49 -6.92 C:9002 12.28 -17.64 C:16 18.13 -10.83 C:18 14.02 -17.21 C:20 11.16 -14.91 C:15 12.28 -9.91 O 10.62 -9.20 O 10.24 -16.41 O 18.66 -10.50 O 16.39 -17.64 O 8.82 -13.54 O 13.19 -16.10 O 10.00 -14.29 O 14.57 -13.12 C:13 10.00 -11.49 C:14 11.16 -10.83 C:6 16.75 -12.83 C:4007 24.83 -6.30 C:4006 23.44 -6.14 C:4005 22.60 -7.26 C:4004 21.21 -7.10 C:4003 20.37 -8.22 C:4002 18.98 -8.05 C:3 14.57 -9.79 O 13.02 -8.83 O 16.75 -9.07 O 12.39 -15.22 O 16.75 -15.22 C:2001 11.71 -8.30 C:9001 11.65 -16.41 C:5 16.75 -11.37 C:4001 18.13 -9.20 C:19 15.94 -16.34 C:12 10.00 -12.83 C:4 15.94 -10.20 C:7 15.94 -14.01 C:2 13.19 -10.20 C:9 13.11 -14.01 C:17 14.57 -15.94 C:11 11.16 -13.54 C:1 12.28 -11.49 C:10 12.28 -12.83 C:8 14.57 -14.52 44 1 -2 2 20 1 3 31 1 4 32 1 5 33 1 41 6 -2 42 7 -1 43 8 -1 9 31 2 10 32 2 11 34 2 12 35 2 36 13 -2 41 14 -1 42 15 -2 45 16 -2 17 18 2 17 36 1 18 43 1 19 33 2 19 38 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 34 1 26 37 1 26 39 1 27 31 1 39 27 -1 28 34 1 37 28 -1 29 32 1 40 29 -1 30 35 1 38 30 -2 33 37 1 35 41 1 36 42 1 38 45 1 39 43 1 40 44 1 40 45 1 41 45 1 42 44 1 43 44 1', '45 47 H 13.02 -12.32 C 25.66 -5.18 C 11.49 -6.92 C 12.28 -17.64 C 18.13 -10.83 C 14.02 -17.21 C 11.16 -14.91 C 12.28 -9.91 O 10.62 -9.20 O 10.24 -16.41 O 18.66 -10.50 O 16.39 -17.64 O 8.82 -13.54 O 13.19 -16.10 O 10.00 -14.29 O 14.57 -13.12 C 10.00 -11.49 C 11.16 -10.83 C 16.75 -12.83 C 24.83 -6.30 C 23.44 -6.14 C 22.60 -7.26 C 21.21 -7.10 C 20.37 -8.22 C 18.98 -8.05 C 14.57 -9.79 O 13.02 -8.83 O 16.75 -9.07 O 12.39 -15.22 O 16.75 -15.22 C 11.71 -8.30 C 11.65 -16.41 C 16.75 -11.37 C 18.13 -9.20 C 15.94 -16.34 C 10.00 -12.83 C 15.94 -10.20 C 15.94 -14.01 C 13.19 -10.20 C 13.11 -14.01 C 14.57 -15.94 C 11.16 -13.54 C 12.28 -11.49 C 12.28 -12.83 C 14.57 -14.52 44 1 -2 2 20 1 3 31 1 4 32 1 5 33 1 41 6 -2 42 7 -1 43 8 -1 9 31 2 10 32 2 11 34 2 12 35 2 36 13 -2 41 14 -1 42 15 -2 45 16 -2 17 18 2 17 36 1 18 43 1 19 33 2 19 38 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 34 1 26 37 1 26 39 1 27 31 1 39 27 -1 28 34 1 37 28 -1 29 32 1 40 29 -1 30 35 1 38 30 -2 33 37 1 35 41 1 36 42 1 38 45 1 39 43 1 40 44 1 40 45 1 41 45 1 42 44 1 43 44 1', '45 47 H 13.02 -12.32 C:14 25.66 -5.18 C:21 11.49 -6.92 C:22 12.28 -17.64 C:26 18.13 -10.83 C:17 14.02 -17.21 C:23 11.16 -14.91 C:15 12.28 -9.91 O 10.62 -9.20 O 10.24 -16.41 O 18.66 -10.50 O 16.39 -17.64 O 8.82 -13.54 O 13.19 -16.10 O 10.00 -14.29 O 14.57 -13.12 C:123 10.00 -11.49 C:139 11.16 -10.83 C:125 16.75 -12.83 C:23 24.83 -6.30 C:32 23.44 -6.14 C:29 22.60 -7.26 C:29 21.21 -7.10 C:25 20.37 -8.22 C:34 18.98 -8.05 C:38 14.57 -9.79 O 13.02 -8.83 O 16.75 -9.07 O 12.39 -15.22 O 16.75 -15.22 C:170 11.71 -8.30 C:171 11.65 -16.41 C:142 16.75 -11.37 C:173 18.13 -9.20 C:176 15.94 -16.34 C:71 10.00 -12.83 C:72 15.94 -10.20 C:78 15.94 -14.01 C:78 13.19 -10.20 C:67 13.11 -14.01 C:80 14.57 -15.94 C:76 11.16 -13.54 C:46 12.28 -11.49 C:40 12.28 -12.83 C:79 14.57 -14.52 44 1 -2 2 20 1 3 31 1 4 32 1 5 33 1 41 6 -2 42 7 -1 43 8 -1 9 31 2 10 32 2 11 34 2 12 35 2 36 13 -2 41 14 -1 42 15 -2 45 16 -2 17 18 2 17 36 1 18 43 1 19 33 2 19 38 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 34 1 26 37 1 26 39 1 27 31 1 39 27 -1 28 34 1 37 28 -1 29 32 1 40 29 -1 30 35 1 38 30 -2 33 37 1 35 41 1 36 42 1 38 45 1 39 43 1 40 44 1 40 45 1 41 45 1 42 44 1 43 44 1', 'C32H48O12', 624.343, 'C', 'hr65_607_7', 4187, '', '', '1', 1, NULL, NULL),
(16698, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH3:4004])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(=O)CCC)C[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@@]3(C)O', '[H][C@@:39]12[C@H:68](O[C:172]([CH3:22])=O)[C@@:80]3(O)[C@H:80]([CH:126]=[C:143]([CH3:26])[C@H:74](O[C:175](=O)[CH2:37][CH2:19][CH3:14])[CH2:39][C@H:80](O[C:172]([CH3:21])=O)[C@@:48]1([CH3:16])[CH:140]=[CH:126][C@@H:72](O)[C@@:76]2([CH3:23])O)O[C:179](=O)[C@@:81]3([CH3:16])O', '41 43 H 15.22 -11.44 C:4004 23.43 -6.22 C:2002 13.69 -6.04 C:9002 14.48 -16.76 C:16 20.33 -9.95 C:18 16.22 -16.33 C:20 13.36 -14.03 C:15 14.48 -9.03 O 12.82 -8.32 O 12.44 -15.53 O 20.88 -9.62 O 18.59 -16.76 O 11.02 -12.66 O 15.39 -15.22 O 12.20 -13.41 O 16.77 -12.24 C:13 12.20 -10.61 C:14 13.36 -9.95 C:6 18.95 -11.95 C:4003 22.59 -7.34 C:4002 21.20 -7.17 C:3 16.77 -8.91 O 15.22 -7.95 O 14.59 -14.34 O 18.95 -8.19 O 18.95 -14.34 C:2001 13.91 -7.42 C:9001 13.85 -15.53 C:5 18.95 -10.49 C:4001 20.33 -8.32 C:19 18.14 -15.46 C:12 12.20 -11.95 C:4 18.14 -9.32 C:7 18.14 -13.13 C:2 15.39 -9.32 C:9 15.31 -13.13 C:17 16.77 -15.06 C:11 13.36 -12.66 C:1 14.48 -10.61 C:10 14.48 -11.95 C:8 16.77 -13.64 40 1 -2 2 20 1 3 27 1 4 28 1 5 29 1 37 6 -2 38 7 -1 39 8 -1 9 27 2 10 28 2 11 30 2 12 31 2 32 13 -2 37 14 -1 38 15 -2 41 16 -2 17 18 2 17 32 1 18 39 1 19 29 2 19 34 1 20 21 1 21 30 1 22 33 1 22 35 1 23 27 1 35 23 -1 24 28 1 36 24 -1 25 30 1 33 25 -1 26 31 1 34 26 -2 29 33 1 31 37 1 32 38 1 34 41 1 35 39 1 36 40 1 36 41 1 37 41 1 38 40 1 39 40 1', '41 43 H 15.22 -11.44 C 23.43 -6.22 C 13.69 -6.04 C 14.48 -16.76 C 20.33 -9.95 C 16.22 -16.33 C 13.36 -14.03 C 14.48 -9.03 O 12.82 -8.32 O 12.44 -15.53 O 20.88 -9.62 O 18.59 -16.76 O 11.02 -12.66 O 15.39 -15.22 O 12.20 -13.41 O 16.77 -12.24 C 12.20 -10.61 C 13.36 -9.95 C 18.95 -11.95 C 22.59 -7.34 C 21.20 -7.17 C 16.77 -8.91 O 15.22 -7.95 O 14.59 -14.34 O 18.95 -8.19 O 18.95 -14.34 C 13.91 -7.42 C 13.85 -15.53 C 18.95 -10.49 C 20.33 -8.32 C 18.14 -15.46 C 12.20 -11.95 C 18.14 -9.32 C 18.14 -13.13 C 15.39 -9.32 C 15.31 -13.13 C 16.77 -15.06 C 13.36 -12.66 C 14.48 -10.61 C 14.48 -11.95 C 16.77 -13.64 40 1 -2 2 20 1 3 27 1 4 28 1 5 29 1 37 6 -2 38 7 -1 39 8 -1 9 27 2 10 28 2 11 30 2 12 31 2 32 13 -2 37 14 -1 38 15 -2 41 16 -2 17 18 2 17 32 1 18 39 1 19 29 2 19 34 1 20 21 1 21 30 1 22 33 1 22 35 1 23 27 1 35 23 -1 24 28 1 36 24 -1 25 30 1 33 25 -1 26 31 1 34 26 -2 29 33 1 31 37 1 32 38 1 34 41 1 35 39 1 36 40 1 36 41 1 37 41 1 38 40 1 39 40 1', '41 43 H 15.22 -11.44 C:14 23.43 -6.22 C:21 13.69 -6.04 C:22 14.48 -16.76 C:26 20.33 -9.95 C:16 16.22 -16.33 C:23 13.36 -14.03 C:16 14.48 -9.03 O 12.82 -8.32 O 12.44 -15.53 O 20.88 -9.62 O 18.59 -16.76 O 11.02 -12.66 O 15.39 -15.22 O 12.20 -13.41 O 16.77 -12.24 C:126 12.20 -10.61 C:140 13.36 -9.95 C:126 18.95 -11.95 C:19 22.59 -7.34 C:37 21.20 -7.17 C:39 16.77 -8.91 O 15.22 -7.95 O 14.59 -14.34 O 18.95 -8.19 O 18.95 -14.34 C:172 13.91 -7.42 C:172 13.85 -15.53 C:143 18.95 -10.49 C:175 20.33 -8.32 C:179 18.14 -15.46 C:72 12.20 -11.95 C:74 18.14 -9.32 C:80 18.14 -13.13 C:80 15.39 -9.32 C:68 15.31 -13.13 C:81 16.77 -15.06 C:76 13.36 -12.66 C:48 14.48 -10.61 C:39 14.48 -11.95 C:80 16.77 -13.64 40 1 -2 2 20 1 3 27 1 4 28 1 5 29 1 37 6 -2 38 7 -1 39 8 -1 9 27 2 10 28 2 11 30 2 12 31 2 32 13 -2 37 14 -1 38 15 -2 41 16 -2 17 18 2 17 32 1 18 39 1 19 29 2 19 34 1 20 21 1 21 30 1 22 33 1 22 35 1 23 27 1 35 23 -1 24 28 1 36 24 -1 25 30 1 33 25 -1 26 31 1 34 26 -2 29 33 1 31 37 1 32 38 1 34 41 1 35 39 1 36 40 1 36 41 1 37 41 1 38 40 1 39 40 1', 'C28H40O12', 568.3, 'M', 'hr65_607_8', 4187, '', '', '1', 1, NULL, NULL),
(16699, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@]3(O)[C@H](C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@]3(C)O', '[H][C@@:40]12[C@H:69](O[C:170]([CH3:21])=O)[C@:82]3(O)[C@H:84]([CH:130]=[C:139]([CH3:25])[C@H:75](O[C:173](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[C@@H:71](O[C:170]([CH3:21])=O)[C@H:75](O[C:170]([CH3:21])=O)[C@@:48]1([CH3:18])[CH:140]=[CH:124][C@@H:71](O)[C@@:77]2([CH3:23])O)O[C:176](=O)[C@:78]3([CH3:17])O', '49 51 H 13.02 -12.32 C:4008 25.68 -5.18 C:3002 15.74 -6.26 C:2002 11.49 -6.93 C:9002 12.28 -17.66 C:16 18.15 -10.83 C:18 14.03 -17.23 C:20 11.16 -14.93 C:15 12.28 -9.90 O 16.96 -8.30 O 10.62 -9.20 O 10.23 -16.43 O 18.69 -10.50 O 16.41 -17.66 O 8.82 -13.54 O 13.19 -16.12 O 9.99 -14.30 O 14.59 -13.12 C:13 9.99 -11.49 C:14 11.16 -10.83 C:6 16.77 -12.83 C:4007 24.85 -6.26 C:4006 23.47 -6.14 C:4005 22.63 -7.27 C:4004 21.24 -7.11 C:4003 20.40 -8.22 C:4002 19.01 -8.05 O 14.59 -8.39 O 13.02 -8.83 O 12.39 -15.24 O 16.77 -9.07 O 16.77 -15.24 C:3001 15.74 -7.66 C:2001 11.71 -8.30 C:9001 11.65 -16.43 C:5 16.77 -11.37 C:4001 18.15 -9.20 C:19 15.96 -16.36 C:12 9.99 -12.83 C:7 15.96 -14.02 C:4 15.96 -10.19 C:3 14.59 -9.78 C:2 13.19 -10.19 C:9 13.11 -14.02 C:17 14.59 -15.96 C:11 11.16 -13.54 C:1 12.28 -11.49 C:10 12.28 -12.83 C:8 14.59 -14.53 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -1 46 8 -1 47 9 -1 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 45 16 -2 46 17 -2 49 18 -1 19 20 2 19 39 1 20 47 1 21 36 2 21 40 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 42 28 -2 29 34 1 43 29 -1 30 35 1 44 30 -1 31 37 1 41 31 -1 32 38 1 40 32 -2 36 41 1 38 45 1 39 46 1 40 49 1 41 42 1 42 43 1 43 47 1 44 48 1 44 49 1 45 49 1 46 48 1 47 48 1', '49 51 H 13.02 -12.32 C 25.68 -5.18 C 15.74 -6.26 C 11.49 -6.93 C 12.28 -17.66 C 18.15 -10.83 C 14.03 -17.23 C 11.16 -14.93 C 12.28 -9.90 O 16.96 -8.30 O 10.62 -9.20 O 10.23 -16.43 O 18.69 -10.50 O 16.41 -17.66 O 8.82 -13.54 O 13.19 -16.12 O 9.99 -14.30 O 14.59 -13.12 C 9.99 -11.49 C 11.16 -10.83 C 16.77 -12.83 C 24.85 -6.26 C 23.47 -6.14 C 22.63 -7.27 C 21.24 -7.11 C 20.40 -8.22 C 19.01 -8.05 O 14.59 -8.39 O 13.02 -8.83 O 12.39 -15.24 O 16.77 -9.07 O 16.77 -15.24 C 15.74 -7.66 C 11.71 -8.30 C 11.65 -16.43 C 16.77 -11.37 C 18.15 -9.20 C 15.96 -16.36 C 9.99 -12.83 C 15.96 -14.02 C 15.96 -10.19 C 14.59 -9.78 C 13.19 -10.19 C 13.11 -14.02 C 14.59 -15.96 C 11.16 -13.54 C 12.28 -11.49 C 12.28 -12.83 C 14.59 -14.53 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -1 46 8 -1 47 9 -1 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 45 16 -2 46 17 -2 49 18 -1 19 20 2 19 39 1 20 47 1 21 36 2 21 40 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 42 28 -2 29 34 1 43 29 -1 30 35 1 44 30 -1 31 37 1 41 31 -1 32 38 1 40 32 -2 36 41 1 38 45 1 39 46 1 40 49 1 41 42 1 42 43 1 43 47 1 44 48 1 44 49 1 45 49 1 46 48 1 47 48 1', '49 51 H 13.02 -12.32 C:14 25.68 -5.18 C:21 15.74 -6.26 C:21 11.49 -6.93 C:21 12.28 -17.66 C:25 18.15 -10.83 C:17 14.03 -17.23 C:23 11.16 -14.93 C:18 12.28 -9.90 O 16.96 -8.30 O 10.62 -9.20 O 10.23 -16.43 O 18.69 -10.50 O 16.41 -17.66 O 8.82 -13.54 O 13.19 -16.12 O 9.99 -14.30 O 14.59 -13.12 C:124 9.99 -11.49 C:140 11.16 -10.83 C:130 16.77 -12.83 C:23 24.85 -6.26 C:32 23.47 -6.14 C:29 22.63 -7.27 C:29 21.24 -7.11 C:25 20.40 -8.22 C:34 19.01 -8.05 O 14.59 -8.39 O 13.02 -8.83 O 12.39 -15.24 O 16.77 -9.07 O 16.77 -15.24 C:170 15.74 -7.66 C:170 11.71 -8.30 C:170 11.65 -16.43 C:139 16.77 -11.37 C:173 18.15 -9.20 C:176 15.96 -16.36 C:71 9.99 -12.83 C:84 15.96 -14.02 C:75 15.96 -10.19 C:71 14.59 -9.78 C:75 13.19 -10.19 C:69 13.11 -14.02 C:78 14.59 -15.96 C:77 11.16 -13.54 C:48 12.28 -11.49 C:40 12.28 -12.83 C:82 14.59 -14.53 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -1 46 8 -1 47 9 -1 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 45 16 -2 46 17 -2 49 18 -1 19 20 2 19 39 1 20 47 1 21 36 2 21 40 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 42 28 -2 29 34 1 43 29 -1 30 35 1 44 30 -1 31 37 1 41 31 -1 32 38 1 40 32 -2 36 41 1 38 45 1 39 46 1 40 49 1 41 42 1 42 43 1 43 47 1 44 48 1 44 49 1 45 49 1 46 48 1 47 48 1', 'C34H50O14', 682.363, 'C', 'hr65_607_9', 4187, '', '', '1', 1, NULL, NULL),
(16700, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O[C:17001]([CH3:17002])=O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](O)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@@]3(C)OC(C)=O', '[H][C@@:40]12[C@H:67](O[C:169]([CH3:22])=O)[C@@:80]3(O)[C@H:78]([CH:126]=[C:139]([CH3:26])[C@H:77](O[C:174](=O)[CH2:35][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[C@@H:71](O)[C@H:77](O[C:168]([CH3:21])=O)[C@@:47]1([CH3:16])[CH:139]=[CH:124][C@@H:71](O)[C@@:76]2([CH3:24])O)O[C:171](=O)[C@@:85]3([CH3:15])O[C:170]([CH3:22])=O', '49 51 H 13.01 -11.41 C:4008 25.65 -4.27 C:2002 11.48 -6.02 C:9002 12.27 -16.74 C:17002 13.37 -18.53 C:16 18.13 -9.92 C:20 11.15 -14.02 C:15 12.27 -8.99 C:18 13.46 -15.88 O 10.61 -8.29 O 10.22 -15.51 O 15.79 -18.53 O 18.67 -9.59 O 16.39 -16.74 O 8.81 -12.63 O 14.58 -7.48 O 9.98 -13.39 O 14.58 -12.21 C:13 9.98 -10.58 C:14 11.15 -9.92 C:6 16.75 -11.92 C:4007 24.83 -5.35 C:4006 23.45 -5.23 C:4005 22.61 -6.36 C:4004 21.22 -6.20 C:4003 20.38 -7.31 C:4002 18.99 -7.14 O 13.01 -7.92 O 16.75 -8.16 O 12.38 -14.32 O 16.75 -14.32 O 14.58 -16.44 C:2001 11.70 -7.39 C:9001 11.64 -15.51 C:17001 14.58 -17.84 C:5 16.75 -10.46 C:4001 18.13 -8.29 C:19 15.94 -15.44 C:12 9.98 -11.92 C:3 14.58 -8.87 C:7 15.94 -13.11 C:4 15.94 -9.28 C:2 13.19 -9.28 C:9 13.10 -13.11 C:11 11.15 -12.63 C:1 12.27 -10.58 C:17 14.58 -15.04 C:10 12.27 -11.92 C:8 14.58 -13.62 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -1 46 8 -1 47 9 -2 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 40 16 -2 45 17 -2 49 18 -2 19 20 2 19 39 1 20 46 1 21 36 2 21 41 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 43 28 -1 29 37 1 42 29 -1 30 34 1 44 30 -1 31 38 1 41 31 -2 32 35 1 47 32 -1 36 42 1 38 47 1 39 45 1 40 42 1 40 43 1 41 49 1 43 46 1 44 48 1 44 49 1 45 48 1 46 48 1 47 49 1', '49 51 H 13.01 -11.41 C 25.65 -4.27 C 11.48 -6.02 C 12.27 -16.74 C 13.37 -18.53 C 18.13 -9.92 C 11.15 -14.02 C 12.27 -8.99 C 13.46 -15.88 O 10.61 -8.29 O 10.22 -15.51 O 15.79 -18.53 O 18.67 -9.59 O 16.39 -16.74 O 8.81 -12.63 O 14.58 -7.48 O 9.98 -13.39 O 14.58 -12.21 C 9.98 -10.58 C 11.15 -9.92 C 16.75 -11.92 C 24.83 -5.35 C 23.45 -5.23 C 22.61 -6.36 C 21.22 -6.20 C 20.38 -7.31 C 18.99 -7.14 O 13.01 -7.92 O 16.75 -8.16 O 12.38 -14.32 O 16.75 -14.32 O 14.58 -16.44 C 11.70 -7.39 C 11.64 -15.51 C 14.58 -17.84 C 16.75 -10.46 C 18.13 -8.29 C 15.94 -15.44 C 9.98 -11.92 C 14.58 -8.87 C 15.94 -13.11 C 15.94 -9.28 C 13.19 -9.28 C 13.10 -13.11 C 11.15 -12.63 C 12.27 -10.58 C 14.58 -15.04 C 12.27 -11.92 C 14.58 -13.62 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -1 46 8 -1 47 9 -2 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 40 16 -2 45 17 -2 49 18 -2 19 20 2 19 39 1 20 46 1 21 36 2 21 41 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 43 28 -1 29 37 1 42 29 -1 30 34 1 44 30 -1 31 38 1 41 31 -2 32 35 1 47 32 -1 36 42 1 38 47 1 39 45 1 40 42 1 40 43 1 41 49 1 43 46 1 44 48 1 44 49 1 45 48 1 46 48 1 47 49 1', '49 51 H 13.01 -11.41 C:14 25.65 -4.27 C:21 11.48 -6.02 C:22 12.27 -16.74 C:22 13.37 -18.53 C:26 18.13 -9.92 C:24 11.15 -14.02 C:16 12.27 -8.99 C:15 13.46 -15.88 O 10.61 -8.29 O 10.22 -15.51 O 15.79 -18.53 O 18.67 -9.59 O 16.39 -16.74 O 8.81 -12.63 O 14.58 -7.48 O 9.98 -13.39 O 14.58 -12.21 C:124 9.98 -10.58 C:139 11.15 -9.92 C:126 16.75 -11.92 C:23 24.83 -5.35 C:32 23.45 -5.23 C:29 22.61 -6.36 C:29 21.22 -6.20 C:25 20.38 -7.31 C:35 18.99 -7.14 O 13.01 -7.92 O 16.75 -8.16 O 12.38 -14.32 O 16.75 -14.32 O 14.58 -16.44 C:168 11.70 -7.39 C:169 11.64 -15.51 C:170 14.58 -17.84 C:139 16.75 -10.46 C:174 18.13 -8.29 C:171 15.94 -15.44 C:71 9.98 -11.92 C:71 14.58 -8.87 C:78 15.94 -13.11 C:77 15.94 -9.28 C:77 13.19 -9.28 C:67 13.10 -13.11 C:76 11.15 -12.63 C:47 12.27 -10.58 C:85 14.58 -15.04 C:40 12.27 -11.92 C:80 14.58 -13.62 48 1 -2 2 22 1 3 33 1 4 34 1 5 35 1 6 36 1 45 7 -1 46 8 -1 47 9 -2 10 33 2 11 34 2 12 35 2 13 37 2 14 38 2 39 15 -2 40 16 -2 45 17 -2 49 18 -2 19 20 2 19 39 1 20 46 1 21 36 2 21 41 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 37 1 28 33 1 43 28 -1 29 37 1 42 29 -1 30 34 1 44 30 -1 31 38 1 41 31 -2 32 35 1 47 32 -1 36 42 1 38 47 1 39 45 1 40 42 1 40 43 1 41 49 1 43 46 1 44 48 1 44 49 1 45 48 1 46 48 1 47 49 1', 'C34H50O14', 682.363, 'C', 'hr65_607_10', 4187, '', '', '1', 1, NULL, NULL),
(16701, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O[C:17001](=O)[CH2:17002][CH3:17003]', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](O)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](O)[C@@]2(C)O)OC(=O)[C@@]3(C)OC(=O)CC', '[H][C@@:41]12[C@H:67](O[C:170]([CH3:22])=O)[C@@:80]3(O)[C@H:78]([CH:126]=[C:139]([CH3:26])[C@H:77](O[C:174](=O)[CH2:35][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[C@@H:71](O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]1([CH3:16])[CH:139]=[CH:124][C@@H:71](O)[C@@:76]2([CH3:24])O)O[C:171](=O)[C@@:85]3([CH3:15])O[C:172](=O)[CH2:28][CH3:9]', '50 52 H 13.01 -10.74 C:4008 25.64 -3.60 C:17003 13.37 -19.26 C:2002 11.48 -5.35 C:9002 12.27 -16.08 C:16 18.12 -9.25 C:20 11.15 -13.35 C:15 12.27 -8.32 C:18 13.46 -15.21 O 10.61 -7.62 O 10.22 -14.84 O 15.79 -17.86 O 18.66 -8.92 O 16.39 -16.08 O 8.81 -11.96 O 14.58 -6.81 O 9.98 -12.72 O 14.58 -11.54 C:13 9.98 -9.91 C:14 11.15 -9.25 C:6 16.75 -11.25 C:4007 24.82 -4.68 C:17002 13.37 -17.86 C:4006 23.44 -4.56 C:4005 22.60 -5.69 C:4004 21.21 -5.53 C:4003 20.37 -6.64 C:4002 18.98 -6.47 O 13.01 -7.25 O 16.75 -13.65 O 12.38 -13.65 O 16.75 -7.49 O 14.58 -15.78 C:2001 11.70 -6.72 C:9001 11.64 -14.84 C:5 16.75 -9.79 C:17001 14.58 -17.18 C:4001 18.12 -7.62 C:19 15.94 -14.77 C:12 9.98 -11.25 C:3 14.58 -8.20 C:7 15.94 -12.44 C:4 15.94 -8.61 C:2 13.19 -8.61 C:9 13.10 -12.44 C:11 11.15 -11.96 C:1 12.27 -9.91 C:17 14.58 -14.37 C:10 12.27 -11.25 C:8 14.58 -12.95 49 1 -2 2 22 1 3 23 1 4 34 1 5 35 1 6 36 1 46 7 -1 47 8 -1 48 9 -2 10 34 2 11 35 2 12 37 2 13 38 2 14 39 2 40 15 -2 41 16 -2 46 17 -2 50 18 -2 19 20 2 19 40 1 20 47 1 21 36 2 21 42 1 22 24 1 23 37 1 24 25 1 25 26 1 26 27 1 27 28 1 28 38 1 29 34 1 44 29 -1 30 39 1 42 30 -2 31 35 1 45 31 -1 32 38 1 43 32 -1 33 37 1 48 33 -1 36 43 1 39 48 1 40 46 1 41 43 1 41 44 1 42 50 1 44 47 1 45 49 1 45 50 1 46 49 1 47 49 1 48 50 1', '50 52 H 13.01 -10.74 C 25.64 -3.60 C 13.37 -19.26 C 11.48 -5.35 C 12.27 -16.08 C 18.12 -9.25 C 11.15 -13.35 C 12.27 -8.32 C 13.46 -15.21 O 10.61 -7.62 O 10.22 -14.84 O 15.79 -17.86 O 18.66 -8.92 O 16.39 -16.08 O 8.81 -11.96 O 14.58 -6.81 O 9.98 -12.72 O 14.58 -11.54 C 9.98 -9.91 C 11.15 -9.25 C 16.75 -11.25 C 24.82 -4.68 C 13.37 -17.86 C 23.44 -4.56 C 22.60 -5.69 C 21.21 -5.53 C 20.37 -6.64 C 18.98 -6.47 O 13.01 -7.25 O 16.75 -13.65 O 12.38 -13.65 O 16.75 -7.49 O 14.58 -15.78 C 11.70 -6.72 C 11.64 -14.84 C 16.75 -9.79 C 14.58 -17.18 C 18.12 -7.62 C 15.94 -14.77 C 9.98 -11.25 C 14.58 -8.20 C 15.94 -12.44 C 15.94 -8.61 C 13.19 -8.61 C 13.10 -12.44 C 11.15 -11.96 C 12.27 -9.91 C 14.58 -14.37 C 12.27 -11.25 C 14.58 -12.95 49 1 -2 2 22 1 3 23 1 4 34 1 5 35 1 6 36 1 46 7 -1 47 8 -1 48 9 -2 10 34 2 11 35 2 12 37 2 13 38 2 14 39 2 40 15 -2 41 16 -2 46 17 -2 50 18 -2 19 20 2 19 40 1 20 47 1 21 36 2 21 42 1 22 24 1 23 37 1 24 25 1 25 26 1 26 27 1 27 28 1 28 38 1 29 34 1 44 29 -1 30 39 1 42 30 -2 31 35 1 45 31 -1 32 38 1 43 32 -1 33 37 1 48 33 -1 36 43 1 39 48 1 40 46 1 41 43 1 41 44 1 42 50 1 44 47 1 45 49 1 45 50 1 46 49 1 47 49 1 48 50 1', '50 52 H 13.01 -10.74 C:14 25.64 -3.60 C:9 13.37 -19.26 C:21 11.48 -5.35 C:22 12.27 -16.08 C:26 18.12 -9.25 C:24 11.15 -13.35 C:16 12.27 -8.32 C:15 13.46 -15.21 O 10.61 -7.62 O 10.22 -14.84 O 15.79 -17.86 O 18.66 -8.92 O 16.39 -16.08 O 8.81 -11.96 O 14.58 -6.81 O 9.98 -12.72 O 14.58 -11.54 C:124 9.98 -9.91 C:139 11.15 -9.25 C:126 16.75 -11.25 C:23 24.82 -4.68 C:28 13.37 -17.86 C:32 23.44 -4.56 C:29 22.60 -5.69 C:29 21.21 -5.53 C:25 20.37 -6.64 C:35 18.98 -6.47 O 13.01 -7.25 O 16.75 -13.65 O 12.38 -13.65 O 16.75 -7.49 O 14.58 -15.78 C:169 11.70 -6.72 C:170 11.64 -14.84 C:139 16.75 -9.79 C:172 14.58 -17.18 C:174 18.12 -7.62 C:171 15.94 -14.77 C:71 9.98 -11.25 C:71 14.58 -8.20 C:78 15.94 -12.44 C:77 15.94 -8.61 C:77 13.19 -8.61 C:67 13.10 -12.44 C:76 11.15 -11.96 C:47 12.27 -9.91 C:85 14.58 -14.37 C:41 12.27 -11.25 C:80 14.58 -12.95 49 1 -2 2 22 1 3 23 1 4 34 1 5 35 1 6 36 1 46 7 -1 47 8 -1 48 9 -2 10 34 2 11 35 2 12 37 2 13 38 2 14 39 2 40 15 -2 41 16 -2 46 17 -2 50 18 -2 19 20 2 19 40 1 20 47 1 21 36 2 21 42 1 22 24 1 23 37 1 24 25 1 25 26 1 26 27 1 27 28 1 28 38 1 29 34 1 44 29 -1 30 39 1 42 30 -2 31 35 1 45 31 -1 32 38 1 43 32 -1 33 37 1 48 33 -1 36 43 1 39 48 1 40 46 1 41 43 1 41 44 1 42 50 1 44 47 1 45 49 1 45 50 1 46 49 1 47 49 1 48 50 1', 'C35H52O14', 696.374, 'C', 'hr65_607_11', 4187, '', '', '1', 1, NULL, NULL),
(16702, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](O)[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:44]34[C@H:65](O[C:170]([CH3:21])=O)[C@:71]12O[C@:65]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:124]=[C:141]([CH3:26])[C@H:77](O[C:174](=O)[CH2:34][CH2:27][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[C@@H:72](O)[C@H:77](O[C:168]([CH3:21])=O)[C@@:47]3([CH3:16])[CH:138]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '45 48 H 13.02 -12.39 C:4008 25.64 -5.15 C:2002 11.49 -6.99 C:9002 12.28 -17.70 C:16 18.15 -10.89 C:20 11.17 -14.97 C:15 12.28 -9.97 C:18 13.42 -16.78 O 10.62 -9.26 O 10.24 -16.47 O 18.68 -10.56 O 16.40 -17.70 O 8.82 -13.60 O 14.58 -8.45 O 9.95 -14.26 C:13 10.02 -11.56 C:14 11.17 -10.89 C:6 16.77 -12.89 C:4007 24.82 -6.29 C:4006 23.43 -6.14 C:4005 22.61 -7.27 C:4004 21.21 -7.13 C:4003 20.39 -8.26 C:4002 19.00 -8.12 O 13.02 -8.89 O 16.77 -9.13 O 12.39 -15.28 O 16.77 -15.28 O 15.80 -15.28 C:2001 11.71 -8.37 C:9001 11.65 -16.47 C:5 16.77 -11.44 C:4001 18.15 -9.26 C:19 15.95 -16.39 C:12 10.02 -12.89 C:3 14.58 -9.85 C:7 15.95 -14.07 C:4 15.95 -10.26 C:2 13.24 -10.26 C:9 13.11 -14.07 C:11 11.17 -13.60 C:1 12.28 -11.56 C:17 14.58 -15.99 C:10 12.28 -12.89 C:8 14.58 -14.58 44 1 -2 2 19 1 3 30 1 4 31 1 5 32 1 41 6 -1 42 7 -1 43 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 36 14 -2 41 15 -2 16 17 2 16 35 1 17 42 1 18 32 2 18 37 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 30 1 39 25 -1 26 33 1 38 26 -1 27 31 1 40 27 -1 28 34 1 37 28 -2 29 43 1 45 29 -2 32 38 1 34 43 1 35 41 1 36 38 1 36 39 1 37 45 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', '45 48 H 13.02 -12.39 C 25.64 -5.15 C 11.49 -6.99 C 12.28 -17.70 C 18.15 -10.89 C 11.17 -14.97 C 12.28 -9.97 C 13.42 -16.78 O 10.62 -9.26 O 10.24 -16.47 O 18.68 -10.56 O 16.40 -17.70 O 8.82 -13.60 O 14.58 -8.45 O 9.95 -14.26 C 10.02 -11.56 C 11.17 -10.89 C 16.77 -12.89 C 24.82 -6.29 C 23.43 -6.14 C 22.61 -7.27 C 21.21 -7.13 C 20.39 -8.26 C 19.00 -8.12 O 13.02 -8.89 O 16.77 -9.13 O 12.39 -15.28 O 16.77 -15.28 O 15.80 -15.28 C 11.71 -8.37 C 11.65 -16.47 C 16.77 -11.44 C 18.15 -9.26 C 15.95 -16.39 C 10.02 -12.89 C 14.58 -9.85 C 15.95 -14.07 C 15.95 -10.26 C 13.24 -10.26 C 13.11 -14.07 C 11.17 -13.60 C 12.28 -11.56 C 14.58 -15.99 C 12.28 -12.89 C 14.58 -14.58 44 1 -2 2 19 1 3 30 1 4 31 1 5 32 1 41 6 -1 42 7 -1 43 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 36 14 -2 41 15 -2 16 17 2 16 35 1 17 42 1 18 32 2 18 37 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 30 1 39 25 -1 26 33 1 38 26 -1 27 31 1 40 27 -1 28 34 1 37 28 -2 29 43 1 45 29 -2 32 38 1 34 43 1 35 41 1 36 38 1 36 39 1 37 45 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', '45 48 H 13.02 -12.39 C:14 25.64 -5.15 C:21 11.49 -6.99 C:21 12.28 -17.70 C:26 18.15 -10.89 C:21 11.17 -14.97 C:16 12.28 -9.97 C:10 13.42 -16.78 O 10.62 -9.26 O 10.24 -16.47 O 18.68 -10.56 O 16.40 -17.70 O 8.82 -13.60 O 14.58 -8.45 O 9.95 -14.26 C:125 10.02 -11.56 C:138 11.17 -10.89 C:124 16.77 -12.89 C:23 24.82 -6.29 C:32 23.43 -6.14 C:29 22.61 -7.27 C:29 21.21 -7.13 C:27 20.39 -8.26 C:34 19.00 -8.12 O 13.02 -8.89 O 16.77 -9.13 O 12.39 -15.28 O 16.77 -15.28 O 15.80 -15.28 C:168 11.71 -8.37 C:170 11.65 -16.47 C:141 16.77 -11.44 C:174 18.15 -9.26 C:171 15.95 -16.39 C:70 10.02 -12.89 C:72 14.58 -9.85 C:74 15.95 -14.07 C:77 15.95 -10.26 C:77 13.24 -10.26 C:65 13.11 -14.07 C:74 11.17 -13.60 C:47 12.28 -11.56 C:65 14.58 -15.99 C:44 12.28 -12.89 C:71 14.58 -14.58 44 1 -2 2 19 1 3 30 1 4 31 1 5 32 1 41 6 -1 42 7 -1 43 8 -1 9 30 2 10 31 2 11 33 2 12 34 2 35 13 -2 36 14 -2 41 15 -2 16 17 2 16 35 1 17 42 1 18 32 2 18 37 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 30 1 39 25 -1 26 33 1 38 26 -1 27 31 1 40 27 -1 28 34 1 37 28 -2 29 43 1 45 29 -2 32 38 1 34 43 1 35 41 1 36 38 1 36 39 1 37 45 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', 'C32H46O12', 622.343, 'C', 'hr65_607_12', 4187, '', '', '1', 1, NULL, NULL),
(16703, '12-epi-Fragilide G', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:34]23[C@H:72](O[C:170]([CH3:21])=O)[C@:83]1(O)[C@@H:50]([CH3:7])[C:175](=O)O[C@H:81]1[C@@H:65](Cl)[C:142](=[CH2:115])[CH:133]=[CH:130][C@H:76](O[C:170]([CH3:21])=O)[C@@:49]2([CH3:14])[C@@H:73](O[C:169]([CH3:21])=O)[CH2:29][C@@H:74](O[C:170]([CH3:21])=O)[C@:57]34[CH2:49]O4', '42 45 H 17.92 -11.60 C:16 23.14 -10.03 C:2002 19.58 -5.86 C:14002 14.97 -6.50 C:12002 11.40 -12.82 C:9002 15.21 -15.77 C:18 18.43 -15.90 C:15 16.98 -9.29 O 20.77 -7.96 O 13.74 -8.61 O 12.58 -10.70 O 17.30 -17.01 O 21.41 -16.82 O 19.58 -12.27 Cl 23.14 -12.53 C:4 20.95 -9.37 C:3 19.58 -9.97 C:20 16.17 -14.08 C:13 15.03 -10.64 O 14.97 -13.39 O 18.35 -7.96 O 16.17 -8.61 O 13.82 -12.76 O 17.30 -14.57 O 21.77 -14.38 C:2001 19.58 -7.26 C:14001 14.97 -7.90 C:12001 12.58 -12.09 C:9001 16.61 -15.77 C:5 21.77 -10.52 C:19 20.95 -15.50 C:17 19.58 -15.09 C:6 21.77 -12.09 C:2 18.35 -9.37 C:14 16.17 -9.97 C:12 15.03 -12.02 C:7 20.95 -13.21 C:9 18.11 -13.21 C:10 17.30 -12.02 C:1 17.30 -10.64 C:8 19.58 -13.69 C:11 16.17 -12.69 39 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 32 7 -2 40 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 31 2 41 14 -2 33 15 -2 16 17 2 16 30 1 17 34 1 18 20 1 42 18 -1 19 35 1 19 36 1 42 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -1 25 31 1 37 25 -2 30 33 1 31 32 1 32 41 1 33 37 1 34 40 1 35 40 1 36 42 1 37 41 1 38 39 1 38 41 1 39 40 1 39 42 1', '42 45 H 17.92 -11.60 C 23.14 -10.03 C 19.58 -5.86 C 14.97 -6.50 C 11.40 -12.82 C 15.21 -15.77 C 18.43 -15.90 C 16.98 -9.29 O 20.77 -7.96 O 13.74 -8.61 O 12.58 -10.70 O 17.30 -17.01 O 21.41 -16.82 O 19.58 -12.27 Cl 23.14 -12.53 C 20.95 -9.37 C 19.58 -9.97 C 16.17 -14.08 C 15.03 -10.64 O 14.97 -13.39 O 18.35 -7.96 O 16.17 -8.61 O 13.82 -12.76 O 17.30 -14.57 O 21.77 -14.38 C 19.58 -7.26 C 14.97 -7.90 C 12.58 -12.09 C 16.61 -15.77 C 21.77 -10.52 C 20.95 -15.50 C 19.58 -15.09 C 21.77 -12.09 C 18.35 -9.37 C 16.17 -9.97 C 15.03 -12.02 C 20.95 -13.21 C 18.11 -13.21 C 17.30 -12.02 C 17.30 -10.64 C 19.58 -13.69 C 16.17 -12.69 39 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 32 7 -2 40 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 31 2 41 14 -2 33 15 -2 16 17 2 16 30 1 17 34 1 18 20 1 42 18 -1 19 35 1 19 36 1 42 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -1 25 31 1 37 25 -2 30 33 1 31 32 1 32 41 1 33 37 1 34 40 1 35 40 1 36 42 1 37 41 1 38 39 1 38 41 1 39 40 1 39 42 1', '42 45 H 17.92 -11.60 C:115 23.14 -10.03 C:21 19.58 -5.86 C:21 14.97 -6.50 C:21 11.40 -12.82 C:21 15.21 -15.77 C:7 18.43 -15.90 C:14 16.98 -9.29 O 20.77 -7.96 O 13.74 -8.61 O 12.58 -10.70 O 17.30 -17.01 O 21.41 -16.82 O 19.58 -12.27 Cl 23.14 -12.53 C:133 20.95 -9.37 C:130 19.58 -9.97 C:49 16.17 -14.08 C:29 15.03 -10.64 O 14.97 -13.39 O 18.35 -7.96 O 16.17 -8.61 O 13.82 -12.76 O 17.30 -14.57 O 21.77 -14.38 C:170 19.58 -7.26 C:169 14.97 -7.90 C:170 12.58 -12.09 C:170 16.61 -15.77 C:142 21.77 -10.52 C:175 20.95 -15.50 C:50 19.58 -15.09 C:65 21.77 -12.09 C:76 18.35 -9.37 C:73 16.17 -9.97 C:74 15.03 -12.02 C:81 20.95 -13.21 C:72 18.11 -13.21 C:34 17.30 -12.02 C:49 17.30 -10.64 C:83 19.58 -13.69 C:57 16.17 -12.69 39 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 32 7 -2 40 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 31 2 41 14 -2 33 15 -2 16 17 2 16 30 1 17 34 1 18 20 1 42 18 -1 19 35 1 19 36 1 42 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -1 25 31 1 37 25 -2 30 33 1 31 32 1 32 41 1 33 37 1 34 40 1 35 40 1 36 42 1 37 41 1 38 39 1 38 41 1 39 40 1 39 42 1', 'C28H35ClO12', 598.753, 'C', 'hr81_2010_1', 4188, '', '', '1', 1, NULL, NULL),
(16704, 'Methyl Catalpol', '', 'Terpenoids', 'Monoterpenoids', 'Iridoids', '[H][C@@:5]24[CH:4]=[CH:3]O[C@@H:1](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:9]2([H])[C@@:8]3([CH2:10]O)O[C@H:7]3[C@H:6]4O[CH3:6001]', '[H][C@@]24C=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])[C@@]3(CO)O[C@H]3[C@H]4OC', '[H][C@@:47]24[CH:104]=[CH:141]O[C@@H:94](O[C@@H:98]1O[C@H:77]([CH2:66]O)[C@@H:74](O)[C@H:78](O)[C@H:71]1O)[C@:42]2([H])[C@@:59]3([CH2:62]O)O[C@H:62]3[C@H:46]4O[CH3:52]', '28 31 H 15.76 -7.12 H 15.76 -10.64 C:6001 12.56 -6.14 O 18.33 -16.74 O 12.56 -11.74 O 21.97 -11.83 O 21.97 -14.61 O 19.48 -10.41 C:3 18.27 -8.22 C:4 17.05 -7.47 C:106 19.54 -16.02 C:10 13.94 -11.45 O 13.94 -6.43 O 18.27 -9.67 O 18.27 -13.92 O 17.05 -11.83 O 12.97 -10.22 C:103 20.72 -12.51 C:104 20.72 -13.92 C:102 19.48 -11.74 C:105 19.54 -14.61 C:101 18.27 -12.51 C:1 17.05 -10.41 C:6 14.38 -7.76 C:7 13.53 -8.93 C:5 15.76 -8.22 C:9 15.76 -9.67 C:8 14.38 -10.11 26 1 -1 27 2 -1 3 13 1 4 11 1 5 12 1 18 6 -1 19 7 -2 20 8 -2 9 10 2 9 14 1 10 26 1 21 11 -1 28 12 -2 24 13 -1 14 23 1 15 21 1 15 22 1 22 16 -1 23 16 -1 25 17 -1 17 28 1 18 19 1 18 20 1 19 21 1 20 22 1 23 27 1 24 25 1 24 26 1 25 28 1 26 27 1 27 28 1', '28 31 H 15.76 -7.12 H 15.76 -10.64 C 12.56 -6.14 O 18.33 -16.74 O 12.56 -11.74 O 21.97 -11.83 O 21.97 -14.61 O 19.48 -10.41 C 18.27 -8.22 C 17.05 -7.47 C 19.54 -16.02 C 13.94 -11.45 O 13.94 -6.43 O 18.27 -9.67 O 18.27 -13.92 O 17.05 -11.83 O 12.97 -10.22 C 20.72 -12.51 C 20.72 -13.92 C 19.48 -11.74 C 19.54 -14.61 C 18.27 -12.51 C 17.05 -10.41 C 14.38 -7.76 C 13.53 -8.93 C 15.76 -8.22 C 15.76 -9.67 C 14.38 -10.11 26 1 -1 27 2 -1 3 13 1 4 11 1 5 12 1 18 6 -1 19 7 -2 20 8 -2 9 10 2 9 14 1 10 26 1 21 11 -1 28 12 -2 24 13 -1 14 23 1 15 21 1 15 22 1 22 16 -1 23 16 -1 25 17 -1 17 28 1 18 19 1 18 20 1 19 21 1 20 22 1 23 27 1 24 25 1 24 26 1 25 28 1 26 27 1 27 28 1', '28 31 H 15.76 -7.12 H 15.76 -10.64 C:52 12.56 -6.14 O 18.33 -16.74 O 12.56 -11.74 O 21.97 -11.83 O 21.97 -14.61 O 19.48 -10.41 C:141 18.27 -8.22 C:104 17.05 -7.47 C:66 19.54 -16.02 C:62 13.94 -11.45 O 13.94 -6.43 O 18.27 -9.67 O 18.27 -13.92 O 17.05 -11.83 O 12.97 -10.22 C:78 20.72 -12.51 C:74 20.72 -13.92 C:71 19.48 -11.74 C:77 19.54 -14.61 C:98 18.27 -12.51 C:94 17.05 -10.41 C:46 14.38 -7.76 C:62 13.53 -8.93 C:47 15.76 -8.22 C:42 15.76 -9.67 C:59 14.38 -10.11 26 1 -1 27 2 -1 3 13 1 4 11 1 5 12 1 18 6 -1 19 7 -2 20 8 -2 9 10 2 9 14 1 10 26 1 21 11 -1 28 12 -2 24 13 -1 14 23 1 15 21 1 15 22 1 22 16 -1 23 16 -1 25 17 -1 17 28 1 18 19 1 18 20 1 19 21 1 20 22 1 23 27 1 24 25 1 24 26 1 25 28 1 26 27 1 27 28 1', 'C16H24O10', 376.181, 'D', 'cnc08_35_1', 4189, '', '', '1', 1, NULL, NULL),
(16705, 'Catalpol', '', 'Terpenoids', 'Monoterpenoids', 'Iridoids', '[H][C@@:5]24[CH:4]=[CH:3]O[C@@H:1](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:9]2([H])[C@@:8]3([CH2:10]O)O[C@H:7]3[C@H:6]4O', '[H][C@@]24C=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])[C@@]3(CO)O[C@H]3[C@H]4O', '[H][C@@:47]24[CH:104]=[CH:142]O[C@@H:94](O[C@@H:98]1O[C@H:77]([CH2:66]O)[C@@H:74](O)[C@H:78](O)[C@H:70]1O)[C@:43]2([H])[C@@:59]3([CH2:62]O)O[C@H:62]3[C@H:61]4O', '27 30 H 15.76 -6.95 H 15.76 -10.47 O 18.33 -16.57 O 12.56 -11.57 O 21.97 -11.66 O 21.97 -14.44 O 19.48 -10.24 O 13.94 -6.26 C:3 18.27 -8.05 C:4 17.05 -7.30 C:106 19.54 -15.85 C:10 13.94 -11.28 O 18.27 -9.50 O 18.27 -13.75 O 17.05 -11.66 O 12.97 -10.05 C:103 20.72 -12.34 C:104 20.72 -13.75 C:102 19.48 -11.57 C:6 14.38 -7.59 C:105 19.54 -14.44 C:101 18.27 -12.34 C:1 17.05 -10.24 C:7 13.53 -8.76 C:5 15.76 -8.05 C:9 15.76 -9.50 C:8 14.38 -9.94 25 1 -1 26 2 -1 3 11 1 4 12 1 17 5 -1 18 6 -2 19 7 -2 20 8 -1 9 10 2 9 13 1 10 25 1 21 11 -1 27 12 -2 13 23 1 14 21 1 14 22 1 22 15 -1 23 15 -1 24 16 -1 16 27 1 17 18 1 17 19 1 18 21 1 19 22 1 20 24 1 20 25 1 23 26 1 24 27 1 25 26 1 26 27 1', '27 30 H 15.76 -6.95 H 15.76 -10.47 O 18.33 -16.57 O 12.56 -11.57 O 21.97 -11.66 O 21.97 -14.44 O 19.48 -10.24 O 13.94 -6.26 C 18.27 -8.05 C 17.05 -7.30 C 19.54 -15.85 C 13.94 -11.28 O 18.27 -9.50 O 18.27 -13.75 O 17.05 -11.66 O 12.97 -10.05 C 20.72 -12.34 C 20.72 -13.75 C 19.48 -11.57 C 14.38 -7.59 C 19.54 -14.44 C 18.27 -12.34 C 17.05 -10.24 C 13.53 -8.76 C 15.76 -8.05 C 15.76 -9.50 C 14.38 -9.94 25 1 -1 26 2 -1 3 11 1 4 12 1 17 5 -1 18 6 -2 19 7 -2 20 8 -1 9 10 2 9 13 1 10 25 1 21 11 -1 27 12 -2 13 23 1 14 21 1 14 22 1 22 15 -1 23 15 -1 24 16 -1 16 27 1 17 18 1 17 19 1 18 21 1 19 22 1 20 24 1 20 25 1 23 26 1 24 27 1 25 26 1 26 27 1', '27 30 H 15.76 -6.95 H 15.76 -10.47 O 18.33 -16.57 O 12.56 -11.57 O 21.97 -11.66 O 21.97 -14.44 O 19.48 -10.24 O 13.94 -6.26 C:142 18.27 -8.05 C:104 17.05 -7.30 C:66 19.54 -15.85 C:62 13.94 -11.28 O 18.27 -9.50 O 18.27 -13.75 O 17.05 -11.66 O 12.97 -10.05 C:78 20.72 -12.34 C:74 20.72 -13.75 C:70 19.48 -11.57 C:61 14.38 -7.59 C:77 19.54 -14.44 C:98 18.27 -12.34 C:94 17.05 -10.24 C:62 13.53 -8.76 C:47 15.76 -8.05 C:43 15.76 -9.50 C:59 14.38 -9.94 25 1 -1 26 2 -1 3 11 1 4 12 1 17 5 -1 18 6 -2 19 7 -2 20 8 -1 9 10 2 9 13 1 10 25 1 21 11 -1 27 12 -2 13 23 1 14 21 1 14 22 1 22 15 -1 23 15 -1 24 16 -1 16 27 1 17 18 1 17 19 1 18 21 1 19 22 1 20 24 1 20 25 1 23 26 1 24 27 1 25 26 1 26 27 1', 'C15H22O10', 362.17, 'D', 'cnc08_35_2', 4189, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16706, '7-Deoxy-8-epiloganic Acid', '', 'Terpenoids', 'Monoterpenoids', 'Iridoids', '[H][C@:5]24[CH2:6][C@@H:7]1O[C@:8]1([CH3:10])[C@@:9]2([H])[C@H:1](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)O[CH:3]=[C:4]4[C:4001](=O)O', '[H][C@]24C[C@@H]1O[C@]1(C)[C@@]2([H])[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C4C(=O)O', '[H][C@:33]24[CH2:37][C@@H:64]1O[C@:65]1([CH3:19])[C@@:46]2([H])[C@H:96](O[C@@H:100]3O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:76]3O)O[CH:148]=[C:116]4[C:174](=O)O', '28 31 H 15.53 -7.46 H 15.53 -10.99 C:10 13.72 -11.80 O 15.53 -5.74 O 18.10 -17.08 O 17.99 -5.74 O 21.74 -12.18 O 21.74 -14.95 O 19.25 -10.76 C:3 18.04 -8.56 C:106 19.31 -16.36 C:6 14.15 -8.10 O 18.04 -10.02 O 18.04 -14.26 O 16.83 -12.18 O 12.75 -10.57 C:4001 16.83 -6.41 C:4 16.83 -7.81 C:103 20.49 -12.86 C:104 20.49 -14.26 C:102 19.25 -12.09 C:105 19.31 -14.95 C:7 13.31 -9.27 C:101 18.04 -12.86 C:1 16.83 -10.76 C:5 15.53 -8.56 C:8 14.15 -10.46 C:9 15.53 -10.02 26 1 -1 28 2 -1 27 3 -2 4 17 2 5 11 1 6 17 1 19 7 -1 20 8 -2 21 9 -2 10 13 1 10 18 2 22 11 -1 12 23 1 12 26 1 13 25 1 14 22 1 14 24 1 24 15 -1 25 15 -1 23 16 -1 16 27 1 17 18 1 18 26 1 19 20 1 19 21 1 20 22 1 21 24 1 23 27 1 25 28 1 26 28 1 27 28 1', '28 31 H 15.53 -7.46 H 15.53 -10.99 C 13.72 -11.80 O 15.53 -5.74 O 18.10 -17.08 O 17.99 -5.74 O 21.74 -12.18 O 21.74 -14.95 O 19.25 -10.76 C 18.04 -8.56 C 19.31 -16.36 C 14.15 -8.10 O 18.04 -10.02 O 18.04 -14.26 O 16.83 -12.18 O 12.75 -10.57 C 16.83 -6.41 C 16.83 -7.81 C 20.49 -12.86 C 20.49 -14.26 C 19.25 -12.09 C 19.31 -14.95 C 13.31 -9.27 C 18.04 -12.86 C 16.83 -10.76 C 15.53 -8.56 C 14.15 -10.46 C 15.53 -10.02 26 1 -1 28 2 -1 27 3 -2 4 17 2 5 11 1 6 17 1 19 7 -1 20 8 -2 21 9 -2 10 13 1 10 18 2 22 11 -1 12 23 1 12 26 1 13 25 1 14 22 1 14 24 1 24 15 -1 25 15 -1 23 16 -1 16 27 1 17 18 1 18 26 1 19 20 1 19 21 1 20 22 1 21 24 1 23 27 1 25 28 1 26 28 1 27 28 1', '28 31 H 15.53 -7.46 H 15.53 -10.99 C:19 13.72 -11.80 O 15.53 -5.74 O 18.10 -17.08 O 17.99 -5.74 O 21.74 -12.18 O 21.74 -14.95 O 19.25 -10.76 C:148 18.04 -8.56 C:63 19.31 -16.36 C:37 14.15 -8.10 O 18.04 -10.02 O 18.04 -14.26 O 16.83 -12.18 O 12.75 -10.57 C:174 16.83 -6.41 C:116 16.83 -7.81 C:78 20.49 -12.86 C:72 20.49 -14.26 C:76 19.25 -12.09 C:79 19.31 -14.95 C:64 13.31 -9.27 C:100 18.04 -12.86 C:96 16.83 -10.76 C:33 15.53 -8.56 C:65 14.15 -10.46 C:46 15.53 -10.02 26 1 -1 28 2 -1 27 3 -2 4 17 2 5 11 1 6 17 1 19 7 -1 20 8 -2 21 9 -2 10 13 1 10 18 2 22 11 -1 12 23 1 12 26 1 13 25 1 14 22 1 14 24 1 24 15 -1 25 15 -1 23 16 -1 16 27 1 17 18 1 18 26 1 19 20 1 19 21 1 20 22 1 21 24 1 23 27 1 25 28 1 26 28 1 27 28 1', 'C16H22O10', 374.181, 'D', 'cnc08_35_3', 4189, '', '', '1', 1, NULL, NULL),
(16707, 'Aucubin', '', 'Terpenoids', 'Monoterpenoids', 'Iridoids', '[H][C@@:5]23[CH:4]=[CH:3]O[C@@H:1](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:9]2([H])[C:8]([CH2:10]O)=[CH:7][C@H:6]3O', '[H][C@@]23C=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])C(CO)=C[C@H]3O', '[H][C@@:46]23[CH:107]=[CH:142]O[C@@H:97](O[C@@H:100]1O[C@H:78]([CH2:63]O)[C@@H:71](O)[C@H:78](O)[C@H:74]1O)[C@:48]2([H])[C:148]([CH2:61]O)=[CH:130][C@H:82]3O', '26 28 H 15.73 -6.98 H 15.73 -10.51 O 12.54 -11.61 O 18.30 -16.61 O 13.92 -6.29 O 21.95 -11.70 O 21.95 -14.48 O 19.45 -10.28 C:3 18.24 -8.08 C:4 17.03 -7.33 C:7 13.51 -8.79 C:10 13.92 -11.32 C:106 19.51 -15.89 O 18.24 -9.54 O 18.24 -13.79 O 17.03 -11.70 C:8 14.35 -9.98 C:6 14.35 -7.62 C:103 20.70 -12.38 C:104 20.70 -13.79 C:102 19.45 -11.61 C:105 19.51 -14.48 C:101 18.24 -12.38 C:1 17.03 -10.28 C:5 15.73 -8.08 C:9 15.73 -9.54 25 1 -1 26 2 -1 3 12 1 4 13 1 18 5 -1 19 6 -1 20 7 -2 21 8 -2 9 10 2 9 14 1 10 25 1 11 17 2 11 18 1 12 17 1 22 13 -1 14 24 1 15 22 1 15 23 1 23 16 -1 24 16 -1 17 26 1 18 25 1 19 20 1 19 21 1 20 22 1 21 23 1 24 26 1 25 26 1', '26 28 H 15.73 -6.98 H 15.73 -10.51 O 12.54 -11.61 O 18.30 -16.61 O 13.92 -6.29 O 21.95 -11.70 O 21.95 -14.48 O 19.45 -10.28 C 18.24 -8.08 C 17.03 -7.33 C 13.51 -8.79 C 13.92 -11.32 C 19.51 -15.89 O 18.24 -9.54 O 18.24 -13.79 O 17.03 -11.70 C 14.35 -9.98 C 14.35 -7.62 C 20.70 -12.38 C 20.70 -13.79 C 19.45 -11.61 C 19.51 -14.48 C 18.24 -12.38 C 17.03 -10.28 C 15.73 -8.08 C 15.73 -9.54 25 1 -1 26 2 -1 3 12 1 4 13 1 18 5 -1 19 6 -1 20 7 -2 21 8 -2 9 10 2 9 14 1 10 25 1 11 17 2 11 18 1 12 17 1 22 13 -1 14 24 1 15 22 1 15 23 1 23 16 -1 24 16 -1 17 26 1 18 25 1 19 20 1 19 21 1 20 22 1 21 23 1 24 26 1 25 26 1', '26 28 H 15.73 -6.98 H 15.73 -10.51 O 12.54 -11.61 O 18.30 -16.61 O 13.92 -6.29 O 21.95 -11.70 O 21.95 -14.48 O 19.45 -10.28 C:142 18.24 -8.08 C:107 17.03 -7.33 C:130 13.51 -8.79 C:61 13.92 -11.32 C:63 19.51 -15.89 O 18.24 -9.54 O 18.24 -13.79 O 17.03 -11.70 C:148 14.35 -9.98 C:82 14.35 -7.62 C:78 20.70 -12.38 C:71 20.70 -13.79 C:74 19.45 -11.61 C:78 19.51 -14.48 C:100 18.24 -12.38 C:97 17.03 -10.28 C:46 15.73 -8.08 C:48 15.73 -9.54 25 1 -1 26 2 -1 3 12 1 4 13 1 18 5 -1 19 6 -1 20 7 -2 21 8 -2 9 10 2 9 14 1 10 25 1 11 17 2 11 18 1 12 17 1 22 13 -1 14 24 1 15 22 1 15 23 1 23 16 -1 24 16 -1 17 26 1 18 25 1 19 20 1 19 21 1 20 22 1 21 23 1 24 26 1 25 26 1', 'C15H22O9', 346.171, 'D', 'cnc08_35_4', 4189, '', '', '1', 1, NULL, NULL),
(16708, 'Dehydrobuddledin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@:11]([CH3:13])([CH3:12])[C@:1]1([H])[C@@H:2](O[C:2001]([CH3:2002])=O)[C:3](=O)[CH:4]([CH3:14])[CH2:5][CH2:6][CH2:7][C:8]2=[CH2:15]', '[H][C@]12C[C@](C)(C)[C@]1([H])[C@@H](OC(C)=O)C(=O)C(C)CCCC2=C', '[H][C@:39]12[CH2:32][C@:34]([CH3:21])([CH3:35])[C@:57]1([H])[C@@H:80](O[C:170]([CH3:30])=O)[C:197](=O)[CH:44]([CH3:14])[CH2:30][CH2:27][CH2:32][C:158]2=[CH2:116]', '22 23 H 16.86 -13.93 H 16.86 -10.64 C:15 18.13 -15.32 C:2002 16.52 -7.51 C:14 20.59 -8.12 C:13 15.61 -10.13 C:12 13.92 -11.83 O 14.81 -9.24 O 17.50 -8.46 C:6 19.42 -11.60 C:7 19.42 -13.08 C:5 20.46 -10.64 C:10 15.37 -13.08 O 17.15 -9.86 C:2001 16.16 -8.87 C:8 18.13 -13.83 C:3 18.45 -9.49 C:4 19.88 -9.33 C:2 18.13 -10.85 C:11 15.37 -11.60 C:9 16.86 -13.08 C:1 16.86 -11.60 21 1 -2 22 2 -1 3 16 2 4 15 1 5 18 1 20 6 -1 20 7 -2 8 15 2 9 17 2 10 11 1 10 12 1 11 16 1 12 18 1 13 20 1 13 21 1 14 15 1 19 14 -1 16 21 1 17 18 1 17 19 1 19 22 1 20 22 1 21 22 1', '22 23 H 16.86 -13.93 H 16.86 -10.64 C 18.13 -15.32 C 16.52 -7.51 C 20.59 -8.12 C 15.61 -10.13 C 13.92 -11.83 O 14.81 -9.24 O 17.50 -8.46 C 19.42 -11.60 C 19.42 -13.08 C 20.46 -10.64 C 15.37 -13.08 O 17.15 -9.86 C 16.16 -8.87 C 18.13 -13.83 C 18.45 -9.49 C 19.88 -9.33 C 18.13 -10.85 C 15.37 -11.60 C 16.86 -13.08 C 16.86 -11.60 21 1 -2 22 2 -1 3 16 2 4 15 1 5 18 1 20 6 -1 20 7 -2 8 15 2 9 17 2 10 11 1 10 12 1 11 16 1 12 18 1 13 20 1 13 21 1 14 15 1 19 14 -1 16 21 1 17 18 1 17 19 1 19 22 1 20 22 1 21 22 1', '22 23 H 16.86 -13.93 H 16.86 -10.64 C:116 18.13 -15.32 C:30 16.52 -7.51 C:14 20.59 -8.12 C:21 15.61 -10.13 C:35 13.92 -11.83 O 14.81 -9.24 O 17.50 -8.46 C:27 19.42 -11.60 C:32 19.42 -13.08 C:30 20.46 -10.64 C:32 15.37 -13.08 O 17.15 -9.86 C:170 16.16 -8.87 C:158 18.13 -13.83 C:197 18.45 -9.49 C:44 19.88 -9.33 C:80 18.13 -10.85 C:34 15.37 -11.60 C:39 16.86 -13.08 C:57 16.86 -11.60 21 1 -2 22 2 -1 3 16 2 4 15 1 5 18 1 20 6 -1 20 7 -2 8 15 2 9 17 2 10 11 1 10 12 1 11 16 1 12 18 1 13 20 1 13 21 1 14 15 1 19 14 -1 16 21 1 17 18 1 17 19 1 19 22 1 20 22 1 21 22 1', 'C17H26O3', 278.196, 'D', 'cnc08_35_5', 4189, '', '1', '1', 1, NULL, NULL),
(16709, 'Buddledin C', '3(15),6-Caryophylladien-8-one', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@:11]([CH3:13])([CH3:12])[C@:1]1([H])[CH2:2][C:3](=O)[C:4]([CH3:14])=[CH:5][CH2:6][CH2:7][C:8]2=[CH2:15]', '[H][C@]12C[C@](C)(C)[C@]1([H])CC(=O)C(C)=CCCC2=C', '[H][C@:39]12[CH2:33][C@:35]([CH3:21])([CH3:33])[C@:59]1([H])[CH2:49][C:205](=O)[C:137]([CH3:15])=[CH:144][CH2:27][CH2:32][C:151]2=[CH2:116]', '18 19 H 16.86 -13.65 H 16.86 -10.36 C:15 18.12 -15.04 C:14 20.58 -7.84 C:13 15.61 -9.85 C:12 13.92 -11.55 O 17.49 -8.18 C:5 20.45 -10.36 C:6 19.41 -11.32 C:7 19.41 -12.80 C:2 18.12 -10.57 C:10 15.37 -12.80 C:8 18.12 -13.55 C:4 19.87 -9.05 C:3 18.44 -9.21 C:11 15.37 -11.32 C:9 16.86 -12.80 C:1 16.86 -11.32 17 1 -2 18 2 -1 3 13 2 4 14 1 16 5 -1 16 6 -2 7 15 2 8 9 1 8 14 2 9 10 1 10 13 1 11 15 1 11 18 1 12 16 1 12 17 1 13 17 1 14 15 1 16 18 1 17 18 1', '18 19 H 16.86 -13.65 H 16.86 -10.36 C 18.12 -15.04 C 20.58 -7.84 C 15.61 -9.85 C 13.92 -11.55 O 17.49 -8.18 C 20.45 -10.36 C 19.41 -11.32 C 19.41 -12.80 C 18.12 -10.57 C 15.37 -12.80 C 18.12 -13.55 C 19.87 -9.05 C 18.44 -9.21 C 15.37 -11.32 C 16.86 -12.80 C 16.86 -11.32 17 1 -2 18 2 -1 3 13 2 4 14 1 16 5 -1 16 6 -2 7 15 2 8 9 1 8 14 2 9 10 1 10 13 1 11 15 1 11 18 1 12 16 1 12 17 1 13 17 1 14 15 1 16 18 1 17 18 1', '18 19 H 16.86 -13.65 H 16.86 -10.36 C:116 18.12 -15.04 C:15 20.58 -7.84 C:21 15.61 -9.85 C:33 13.92 -11.55 O 17.49 -8.18 C:144 20.45 -10.36 C:27 19.41 -11.32 C:32 19.41 -12.80 C:49 18.12 -10.57 C:33 15.37 -12.80 C:151 18.12 -13.55 C:137 19.87 -9.05 C:205 18.44 -9.21 C:35 15.37 -11.32 C:39 16.86 -12.80 C:59 16.86 -11.32 17 1 -2 18 2 -1 3 13 2 4 14 1 16 5 -1 16 6 -2 7 15 2 8 9 1 8 14 2 9 10 1 10 13 1 11 15 1 11 18 1 12 16 1 12 17 1 13 17 1 14 15 1 16 18 1 17 18 1', 'C15H22O', 218.176, 'D', 'cnc08_35_6', 4189, '', '1', '1', 1, NULL, NULL),
(16710, '', '10-O-(E)-Cinnamoyl-2-oxo-6-deoxyneoanisatin', 'Terpenoids', 'Sesquiterpenoids', 'Prezizaanes', '[CH3:15][C@@H:1]2[C:2](=O)[CH2:3][C@:4]3(O)[C@:5]1([CH2:14]O[C:13]1=O)[C@H:6]([CH3:12])[C@H:7]5[CH2:8][C@@:9]23[C@@H:10](O[C:101](=O)[CH:102]=[CH:103][c:104]4[cH:105][cH:106][cH:107][cH:108][cH:109]4)[C:11](=O)O5', 'C[C@@H]2C(=O)C[C@]3(O)[C@]1(COC1=O)[C@H](C)[C@H]5C[C@@]23[C@@H](OC(=O)C=Cc4ccccc4)C(=O)O5', '[CH3:7][C@@H:49]2[C:214](=O)[CH2:46][C@:77]3(O)[C@:66]1([CH2:64]O[C:171]1=O)[C@H:35]([CH3:13])[C@H:80]5[CH2:31][C@@:51]23[C@@H:70](O[C:165](=O)[CH:117]=[CH:148][c:134]4[cH:129][cH:129][cH:131][cH:129][cH:129]4)[C:169](=O)O5', '32 36 C:15 16.22 -12.29 C:12 21.62 -16.14 O 18.45 -9.67 O 14.43 -14.77 O 19.21 -10.46 O 21.62 -17.13 O 17.98 -16.48 C:102 16.07 -9.29 C:103 16.30 -7.91 C:107 13.08 -5.20 C:106 12.83 -6.58 C:108 14.43 -4.72 C:105 13.90 -7.49 C:109 15.47 -5.62 C:14 18.22 -17.13 C:3 16.66 -15.87 C:8 19.21 -13.34 O 19.21 -18.12 O 16.91 -11.55 O 20.44 -12.44 C:101 17.15 -10.17 C:2 15.84 -14.77 C:11 19.21 -11.86 C:13 20.22 -17.13 C:104 15.22 -7.00 C:1 16.66 -13.61 C:6 20.44 -15.44 C:7 20.44 -14.04 C:10 17.98 -12.44 C:4 17.98 -15.44 C:5 19.21 -16.14 C:9 17.98 -14.04 26 1 -1 27 2 -1 3 21 2 4 22 2 5 23 2 6 24 2 30 7 -2 8 9 2 8 21 1 9 25 1 10 11 2 10 12 1 11 13 1 12 14 2 13 25 2 14 25 1 15 18 1 31 15 -1 16 22 1 16 30 1 17 28 1 17 32 1 18 24 1 19 21 1 29 19 -1 20 23 1 28 20 -1 22 26 1 23 29 1 31 24 -2 26 32 1 27 28 1 27 31 1 32 29 -1 30 31 1 30 32 1', '32 36 C 16.22 -12.29 C 21.62 -16.14 O 18.45 -9.67 O 14.43 -14.77 O 19.21 -10.46 O 21.62 -17.13 O 17.98 -16.48 C 16.07 -9.29 C 16.30 -7.91 C 13.08 -5.20 C 12.83 -6.58 C 14.43 -4.72 C 13.90 -7.49 C 15.47 -5.62 C 18.22 -17.13 C 16.66 -15.87 C 19.21 -13.34 O 19.21 -18.12 O 16.91 -11.55 O 20.44 -12.44 C 17.15 -10.17 C 15.84 -14.77 C 19.21 -11.86 C 20.22 -17.13 C 15.22 -7.00 C 16.66 -13.61 C 20.44 -15.44 C 20.44 -14.04 C 17.98 -12.44 C 17.98 -15.44 C 19.21 -16.14 C 17.98 -14.04 26 1 -1 27 2 -1 3 21 2 4 22 2 5 23 2 6 24 2 30 7 -2 8 9 2 8 21 1 9 25 1 10 11 2 10 12 1 11 13 1 12 14 2 13 25 2 14 25 1 15 18 1 31 15 -1 16 22 1 16 30 1 17 28 1 17 32 1 18 24 1 19 21 1 29 19 -1 20 23 1 28 20 -1 22 26 1 23 29 1 31 24 -2 26 32 1 27 28 1 27 31 1 32 29 -1 30 31 1 30 32 1', '32 36 C:7 16.22 -12.29 C:13 21.62 -16.14 O 18.45 -9.67 O 14.43 -14.77 O 19.21 -10.46 O 21.62 -17.13 O 17.98 -16.48 C:117 16.07 -9.29 C:148 16.30 -7.91 C:131 13.08 -5.20 C:129 12.83 -6.58 C:129 14.43 -4.72 C:129 13.90 -7.49 C:129 15.47 -5.62 C:64 18.22 -17.13 C:46 16.66 -15.87 C:31 19.21 -13.34 O 19.21 -18.12 O 16.91 -11.55 O 20.44 -12.44 C:165 17.15 -10.17 C:214 15.84 -14.77 C:169 19.21 -11.86 C:171 20.22 -17.13 C:134 15.22 -7.00 C:49 16.66 -13.61 C:35 20.44 -15.44 C:80 20.44 -14.04 C:70 17.98 -12.44 C:77 17.98 -15.44 C:66 19.21 -16.14 C:51 17.98 -14.04 26 1 -1 27 2 -1 3 21 2 4 22 2 5 23 2 6 24 2 30 7 -2 8 9 2 8 21 1 9 25 1 10 11 2 10 12 1 11 13 1 12 14 2 13 25 2 14 25 1 15 18 1 31 15 -1 16 22 1 16 30 1 17 28 1 17 32 1 18 24 1 19 21 1 29 19 -1 20 23 1 28 20 -1 22 26 1 23 29 1 31 24 -2 26 32 1 27 28 1 27 31 1 32 29 -1 30 31 1 30 32 1', 'C24H24O8', 440.252, 'P', 'cpb08_1201_1', 4190, '', '', '1', 1, NULL, NULL),
(16711, '', '10-O-(Z)-Cinnamoyl-2-oxo-6-deoxyneoanisatin', 'Terpenoids', 'Sesquiterpenoids', 'Prezizaanes', '[CH3:15][C@@H:1]2[C:2](=O)[CH2:3][C@:4]3(O)[C@:5]1([CH2:14]O[C:13]1=O)[C@H:6]([CH3:12])[C@H:7]5[CH2:8][C@@:9]23[C@@H:10](O[C:101](=O)[CH:102]=[CH:103][c:104]4[cH:109][cH:108][cH:107][cH:106][cH:105]4)[C:11](=O)O5', 'C[C@@H]2C(=O)C[C@]3(O)[C@]1(COC1=O)[C@H](C)[C@H]5C[C@@]23[C@@H](OC(=O)C=Cc4ccccc4)C(=O)O5', '[CH3:7][C@@H:49]2[C:214](=O)[CH2:46][C@:77]3(O)[C@:66]1([CH2:64]O[C:171]1=O)[C@H:35]([CH3:13])[C@H:80]5[CH2:31][C@@:51]23[C@@H:70](O[C:164](=O)[CH:118]=[CH:147][c:135]4[cH:129][cH:131][cH:130][cH:131][cH:129]4)[C:169](=O)O5', '32 36 C:15 15.43 -11.84 C:12 20.84 -15.69 O 17.67 -9.23 O 13.64 -14.32 O 18.43 -10.02 O 20.84 -16.68 O 17.20 -16.03 C:102 15.28 -8.85 C:103 15.51 -7.47 C:107 19.44 -6.05 C:108 19.22 -7.47 C:106 18.43 -5.14 C:109 17.90 -7.90 C:105 17.08 -5.62 C:14 17.44 -16.68 C:3 15.87 -15.42 C:8 18.43 -12.89 O 18.43 -17.67 O 16.12 -11.10 O 19.66 -11.99 C:101 16.36 -9.73 C:2 15.05 -14.32 C:11 18.43 -11.41 C:13 19.44 -16.68 C:104 16.84 -7.00 C:1 15.87 -13.16 C:6 19.66 -14.99 C:7 19.66 -13.59 C:10 17.20 -11.99 C:4 17.20 -14.99 C:5 18.43 -15.69 C:9 17.20 -13.59 26 1 -1 27 2 -1 3 21 2 4 22 2 5 23 2 6 24 2 30 7 -2 8 9 2 8 21 1 9 25 1 10 11 1 10 12 2 11 13 2 12 14 1 13 25 1 14 25 2 15 18 1 31 15 -1 16 22 1 16 30 1 17 28 1 17 32 1 18 24 1 19 21 1 29 19 -1 20 23 1 28 20 -1 22 26 1 23 29 1 31 24 -2 26 32 1 27 28 1 27 31 1 32 29 -1 30 31 1 30 32 1', '32 36 C 15.43 -11.84 C 20.84 -15.69 O 17.67 -9.23 O 13.64 -14.32 O 18.43 -10.02 O 20.84 -16.68 O 17.20 -16.03 C 15.28 -8.85 C 15.51 -7.47 C 19.44 -6.05 C 19.22 -7.47 C 18.43 -5.14 C 17.90 -7.90 C 17.08 -5.62 C 17.44 -16.68 C 15.87 -15.42 C 18.43 -12.89 O 18.43 -17.67 O 16.12 -11.10 O 19.66 -11.99 C 16.36 -9.73 C 15.05 -14.32 C 18.43 -11.41 C 19.44 -16.68 C 16.84 -7.00 C 15.87 -13.16 C 19.66 -14.99 C 19.66 -13.59 C 17.20 -11.99 C 17.20 -14.99 C 18.43 -15.69 C 17.20 -13.59 26 1 -1 27 2 -1 3 21 2 4 22 2 5 23 2 6 24 2 30 7 -2 8 9 2 8 21 1 9 25 1 10 11 1 10 12 2 11 13 2 12 14 1 13 25 1 14 25 2 15 18 1 31 15 -1 16 22 1 16 30 1 17 28 1 17 32 1 18 24 1 19 21 1 29 19 -1 20 23 1 28 20 -1 22 26 1 23 29 1 31 24 -2 26 32 1 27 28 1 27 31 1 32 29 -1 30 31 1 30 32 1', '32 36 C:7 15.43 -11.84 C:13 20.84 -15.69 O 17.67 -9.23 O 13.64 -14.32 O 18.43 -10.02 O 20.84 -16.68 O 17.20 -16.03 C:118 15.28 -8.85 C:147 15.51 -7.47 C:130 19.44 -6.05 C:131 19.22 -7.47 C:131 18.43 -5.14 C:129 17.90 -7.90 C:129 17.08 -5.62 C:64 17.44 -16.68 C:46 15.87 -15.42 C:31 18.43 -12.89 O 18.43 -17.67 O 16.12 -11.10 O 19.66 -11.99 C:164 16.36 -9.73 C:214 15.05 -14.32 C:169 18.43 -11.41 C:171 19.44 -16.68 C:135 16.84 -7.00 C:49 15.87 -13.16 C:35 19.66 -14.99 C:80 19.66 -13.59 C:70 17.20 -11.99 C:77 17.20 -14.99 C:66 18.43 -15.69 C:51 17.20 -13.59 26 1 -1 27 2 -1 3 21 2 4 22 2 5 23 2 6 24 2 30 7 -2 8 9 2 8 21 1 9 25 1 10 11 1 10 12 2 11 13 2 12 14 1 13 25 1 14 25 2 15 18 1 31 15 -1 16 22 1 16 30 1 17 28 1 17 32 1 18 24 1 19 21 1 29 19 -1 20 23 1 28 20 -1 22 26 1 23 29 1 31 24 -2 26 32 1 27 28 1 27 31 1 32 29 -1 30 31 1 30 32 1', 'C24H24O8', 440.252, 'P+P', 'cpb08_1201_2', 4190, '', '', '1', 1, NULL, NULL),
(16712, '', '4-Allyl-2-(3-methylbut-2-en-1-yl)phenol', 'Aromatics', 'Phenyl-alkanoids', 'Phenylisopentanoids', '[CH2:14]=[CH:13][CH2:12][c:3]1[cH:4][cH:5][c:6](O)[c:1]([CH2:7][CH:8]=[C:9]([CH3:11])[CH3:10])[cH:2]1', 'C=CCc1ccc(O)c(CC=C(C)C)c1', '[CH2:115]=[CH:139][CH2:40][c:132]1[cH:128][cH:116][c:153](O)[c:127]([CH2:30][CH:123]=[C:133]([CH3:26])[CH3:18])[cH:131]1', '15 15 C:14 13.62 -15.26 C:11 20.90 -9.66 C:10 19.69 -7.56 O 14.83 -7.56 C:13 13.62 -13.86 C:8 18.48 -9.66 C:5 13.62 -9.66 C:4 13.62 -11.06 C:2 16.04 -11.06 C:12 14.83 -13.16 C:7 17.27 -8.96 C:9 19.69 -8.96 C:6 14.83 -8.96 C:3 14.83 -11.77 C:1 16.04 -9.66 1 5 2 2 12 1 3 12 1 4 13 1 5 10 1 6 11 1 6 12 2 7 8 2 7 13 1 8 14 1 9 14 2 9 15 1 10 14 1 11 15 1 13 15 2', '15 15 C 13.62 -15.26 C 20.90 -9.66 C 19.69 -7.56 O 14.83 -7.56 C 13.62 -13.86 C 18.48 -9.66 C 13.62 -9.66 C 13.62 -11.06 C 16.04 -11.06 C 14.83 -13.16 C 17.27 -8.96 C 19.69 -8.96 C 14.83 -8.96 C 14.83 -11.77 C 16.04 -9.66 1 5 2 2 12 1 3 12 1 4 13 1 5 10 1 6 11 1 6 12 2 7 8 2 7 13 1 8 14 1 9 14 2 9 15 1 10 14 1 11 15 1 13 15 2', '15 15 C:115 13.62 -15.26 C:26 20.90 -9.66 C:18 19.69 -7.56 O 14.83 -7.56 C:139 13.62 -13.86 C:123 18.48 -9.66 C:116 13.62 -9.66 C:128 13.62 -11.06 C:131 16.04 -11.06 C:40 14.83 -13.16 C:30 17.27 -8.96 C:133 19.69 -8.96 C:153 14.83 -8.96 C:132 14.83 -11.77 C:127 16.04 -9.66 1 5 2 2 12 1 3 12 1 4 13 1 5 10 1 6 11 1 6 12 2 7 8 2 7 13 1 8 14 1 9 14 2 9 15 1 10 14 1 11 15 1 13 15 2', 'C14H18O', 202.149, 'B', 'cpb08_1201_4', 4190, '', '2', '1', 1, NULL, NULL),
(16713, '', '4-Allyl-2-(2-methylbut-3-en-2-yl)phenol', 'Aromatics', 'Phenyl-alkanoids', 'Phenylisopentanoids', '[CH2:14]=[CH:13][CH2:12][c:3]1[cH:4][cH:5][c:6](O)[c:1]([C:7]([CH3:10])([CH3:11])[CH:8]=[CH2:9])[cH:2]1', 'C=CCc1ccc(O)c(C(C)(C)C=C)c1', '[CH2:115]=[CH:138][CH2:40][c:132]1[cH:128][cH:118][c:153](O)[c:132]([C:40]([CH3:27])([CH3:27])[CH:148]=[CH2:113])[cH:126]1', '15 15 C:14 14.24 -15.26 C:9 20.31 -8.96 C:10 19.10 -9.67 C:11 17.89 -7.56 O 15.45 -7.56 C:13 14.24 -13.86 C:8 19.10 -8.27 C:5 14.24 -9.67 C:4 14.24 -11.07 C:2 16.66 -11.07 C:12 15.45 -13.16 C:6 15.45 -8.96 C:3 15.45 -11.78 C:1 16.66 -9.67 C:7 17.89 -8.96 1 6 2 2 7 2 3 15 1 4 15 1 5 12 1 6 11 1 7 15 1 8 9 2 8 12 1 9 13 1 10 13 2 10 14 1 11 13 1 12 14 2 14 15 1', '15 15 C 14.24 -15.26 C 20.31 -8.96 C 19.10 -9.67 C 17.89 -7.56 O 15.45 -7.56 C 14.24 -13.86 C 19.10 -8.27 C 14.24 -9.67 C 14.24 -11.07 C 16.66 -11.07 C 15.45 -13.16 C 15.45 -8.96 C 15.45 -11.78 C 16.66 -9.67 C 17.89 -8.96 1 6 2 2 7 2 3 15 1 4 15 1 5 12 1 6 11 1 7 15 1 8 9 2 8 12 1 9 13 1 10 13 2 10 14 1 11 13 1 12 14 2 14 15 1', '15 15 C:115 14.24 -15.26 C:113 20.31 -8.96 C:27 19.10 -9.67 C:27 17.89 -7.56 O 15.45 -7.56 C:138 14.24 -13.86 C:148 19.10 -8.27 C:118 14.24 -9.67 C:128 14.24 -11.07 C:126 16.66 -11.07 C:40 15.45 -13.16 C:153 15.45 -8.96 C:132 15.45 -11.78 C:132 16.66 -9.67 C:40 17.89 -8.96 1 6 2 2 7 2 3 15 1 4 15 1 5 12 1 6 11 1 7 15 1 8 9 2 8 12 1 9 13 1 10 13 2 10 14 1 11 13 1 12 14 2 14 15 1', 'C14H18O', 202.149, 'C', 'cpb08_1201_5', 4190, '', '2', '1', 1, NULL, NULL),
(16714, 'Lingshuiolide A', '', 'Terpenoids', 'Sesquiterpenoids', 'Friedocyclofarnesanes', '[CH3:12][C:1]1=[CH:2][C@H:3](O)[CH2:4][C@@H:5]([CH3:14])[C@:6]1([CH3:13])[CH2:7][CH2:8][C:9]2=[CH:10][CH:11](O)O[C:15]2=O', 'CC1=C[C@H](O)C[C@@H](C)[C@]1(C)CCC2=CC(O)OC2=O', '[CH3:19][C:145]1=[CH:126][C@H:65](O)[CH2:36][C@@H:28]([CH3:16])[C@:41]1([CH3:20])[CH2:34][CH2:20][C:138]2=[CH:144][CH:97](O)O[C:172]2=O', '19 20 C:12 14.24 -9.85 C:14 16.66 -14.05 C:13 15.45 -10.55 O 18.44 -8.84 O 11.80 -14.05 O 22.69 -11.30 C:2 13.02 -11.95 C:10 20.30 -11.95 C:8 17.88 -11.95 C:7 16.66 -11.25 C:4 14.24 -14.05 O 20.76 -9.73 C:1 14.24 -11.25 C:15 19.37 -9.85 C:9 19.08 -11.25 C:3 13.02 -13.36 C:11 21.32 -11.01 C:5 15.45 -13.36 C:6 15.45 -11.95 1 13 1 18 2 -2 19 3 -2 4 14 2 16 5 -1 6 17 1 7 13 2 7 16 1 8 15 2 8 17 1 9 10 1 9 15 1 19 10 -1 11 16 1 11 18 1 12 14 1 12 17 1 13 19 1 14 15 1 18 19 1', '19 20 C 14.24 -9.85 C 16.66 -14.05 C 15.45 -10.55 O 18.44 -8.84 O 11.80 -14.05 O 22.69 -11.30 C 13.02 -11.95 C 20.30 -11.95 C 17.88 -11.95 C 16.66 -11.25 C 14.24 -14.05 O 20.76 -9.73 C 14.24 -11.25 C 19.37 -9.85 C 19.08 -11.25 C 13.02 -13.36 C 21.32 -11.01 C 15.45 -13.36 C 15.45 -11.95 1 13 1 18 2 -2 19 3 -2 4 14 2 16 5 -1 6 17 1 7 13 2 7 16 1 8 15 2 8 17 1 9 10 1 9 15 1 19 10 -1 11 16 1 11 18 1 12 14 1 12 17 1 13 19 1 14 15 1 18 19 1', '19 20 C:19 14.24 -9.85 C:16 16.66 -14.05 C:20 15.45 -10.55 O 18.44 -8.84 O 11.80 -14.05 O 22.69 -11.30 C:126 13.02 -11.95 C:144 20.30 -11.95 C:20 17.88 -11.95 C:34 16.66 -11.25 C:36 14.24 -14.05 O 20.76 -9.73 C:145 14.24 -11.25 C:172 19.37 -9.85 C:138 19.08 -11.25 C:65 13.02 -13.36 C:97 21.32 -11.01 C:28 15.45 -13.36 C:41 15.45 -11.95 1 13 1 18 2 -2 19 3 -2 4 14 2 16 5 -1 6 17 1 7 13 2 7 16 1 8 15 2 8 17 1 9 10 1 9 15 1 19 10 -1 11 16 1 11 18 1 12 14 1 12 17 1 13 19 1 14 15 1 18 19 1', 'C15H22O4', 266.158, 'C', 'np08_1399_1', 4191, '', '', '1', 1, NULL, NULL),
(16715, 'Lingshuiolide B', '', 'Terpenoids', 'Sesquiterpenoids', 'Friedocyclofarnesanes', '[CH3:12][C:1]1=[CH:2][C@@H:3](O)[CH2:4][C@@H:5]([CH3:14])[C@:6]1([CH3:13])[CH2:7][CH2:8][C:9]2=[CH:10][CH:11](O)O[C:15]2=O', 'CC1=C[C@@H](O)C[C@@H](C)[C@]1(C)CCC2=CC(O)OC2=O', '[CH3:19][C:142]1=[CH:130][C@@H:68](O)[CH2:37][C@@H:32]([CH3:16])[C@:41]1([CH3:21])[CH2:33][CH2:20][C:139]2=[CH:143][CH:97](O)O[C:172]2=O', '19 20 C:12 14.24 -9.85 C:14 16.66 -14.05 C:13 15.45 -10.55 O 18.44 -8.84 O 11.80 -14.05 O 22.69 -11.30 C:2 13.02 -11.95 C:10 20.30 -11.95 C:8 17.88 -11.95 C:7 16.66 -11.25 C:4 14.24 -14.05 O 20.76 -9.73 C:1 14.24 -11.25 C:15 19.37 -9.85 C:9 19.08 -11.25 C:3 13.02 -13.36 C:11 21.32 -11.01 C:5 15.45 -13.36 C:6 15.45 -11.95 1 13 1 18 2 -2 19 3 -2 4 14 2 16 5 -2 6 17 1 7 13 2 7 16 1 8 15 2 8 17 1 9 10 1 9 15 1 19 10 -1 11 16 1 11 18 1 12 14 1 12 17 1 13 19 1 14 15 1 18 19 1', '19 20 C 14.24 -9.85 C 16.66 -14.05 C 15.45 -10.55 O 18.44 -8.84 O 11.80 -14.05 O 22.69 -11.30 C 13.02 -11.95 C 20.30 -11.95 C 17.88 -11.95 C 16.66 -11.25 C 14.24 -14.05 O 20.76 -9.73 C 14.24 -11.25 C 19.37 -9.85 C 19.08 -11.25 C 13.02 -13.36 C 21.32 -11.01 C 15.45 -13.36 C 15.45 -11.95 1 13 1 18 2 -2 19 3 -2 4 14 2 16 5 -2 6 17 1 7 13 2 7 16 1 8 15 2 8 17 1 9 10 1 9 15 1 19 10 -1 11 16 1 11 18 1 12 14 1 12 17 1 13 19 1 14 15 1 18 19 1', '19 20 C:19 14.24 -9.85 C:16 16.66 -14.05 C:21 15.45 -10.55 O 18.44 -8.84 O 11.80 -14.05 O 22.69 -11.30 C:130 13.02 -11.95 C:143 20.30 -11.95 C:20 17.88 -11.95 C:33 16.66 -11.25 C:37 14.24 -14.05 O 20.76 -9.73 C:142 14.24 -11.25 C:172 19.37 -9.85 C:139 19.08 -11.25 C:68 13.02 -13.36 C:97 21.32 -11.01 C:32 15.45 -13.36 C:41 15.45 -11.95 1 13 1 18 2 -2 19 3 -2 4 14 2 16 5 -2 6 17 1 7 13 2 7 16 1 8 15 2 8 17 1 9 10 1 9 15 1 19 10 -1 11 16 1 11 18 1 12 14 1 12 17 1 13 19 1 14 15 1 18 19 1', 'C15H22O4', 266.158, 'C', 'np08_1399_2', 4191, '', '', '1', 1, NULL, NULL),
(16716, 'Lingshuiperoxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Friedocyclofarnesanes', '[CH3:14][C@@H:5]2[C@@H:4]1[CH:3]=[CH:2][C@@:1]([CH3:12])(OO1)[C@@:6]2([CH3:13])[CH2:7][CH2:8][C:9]3=[CH:10][CH:11](O)O[C:15]3=O', 'C[C@@H]2[C@@H]1C=C[C@@](C)(OO1)[C@@]2(C)CCC3=CC(O)OC3=O', '[CH3:16][C@@H:38]2[C@@H:76]1[CH:130]=[CH:138][C@@:81]([CH3:16])(OO1)[C@@:41]2([CH3:18])[CH2:35][CH2:21][C:139]3=[CH:143][CH:97](O)O[C:171]3=O', '20 22 C:14 16.03 -14.02 C:12 13.59 -9.79 C:13 14.81 -10.50 O 17.82 -8.78 O 22.09 -11.25 C:3 12.37 -13.32 C:2 12.37 -11.91 C:10 19.69 -11.91 C:8 17.25 -11.91 C:7 16.03 -11.20 O 14.24 -12.77 O 13.03 -12.50 O 20.15 -9.67 C:15 18.75 -9.79 C:9 18.46 -11.20 C:11 20.71 -10.96 C:5 14.81 -13.32 C:4 13.59 -14.02 C:1 13.59 -11.20 C:6 14.81 -11.91 17 1 -2 19 2 -1 20 3 -2 4 14 2 5 16 1 6 7 2 6 18 1 7 19 1 8 15 2 8 16 1 9 10 1 9 15 1 20 10 -1 11 12 1 18 11 -2 12 19 1 13 14 1 13 16 1 14 15 1 17 18 1 17 20 1 19 20 1', '20 22 C 16.03 -14.02 C 13.59 -9.79 C 14.81 -10.50 O 17.82 -8.78 O 22.09 -11.25 C 12.37 -13.32 C 12.37 -11.91 C 19.69 -11.91 C 17.25 -11.91 C 16.03 -11.20 O 14.24 -12.77 O 13.03 -12.50 O 20.15 -9.67 C 18.75 -9.79 C 18.46 -11.20 C 20.71 -10.96 C 14.81 -13.32 C 13.59 -14.02 C 13.59 -11.20 C 14.81 -11.91 17 1 -2 19 2 -1 20 3 -2 4 14 2 5 16 1 6 7 2 6 18 1 7 19 1 8 15 2 8 16 1 9 10 1 9 15 1 20 10 -1 11 12 1 18 11 -2 12 19 1 13 14 1 13 16 1 14 15 1 17 18 1 17 20 1 19 20 1', '20 22 C:16 16.03 -14.02 C:16 13.59 -9.79 C:18 14.81 -10.50 O 17.82 -8.78 O 22.09 -11.25 C:130 12.37 -13.32 C:138 12.37 -11.91 C:143 19.69 -11.91 C:21 17.25 -11.91 C:35 16.03 -11.20 O 14.24 -12.77 O 13.03 -12.50 O 20.15 -9.67 C:171 18.75 -9.79 C:139 18.46 -11.20 C:97 20.71 -10.96 C:38 14.81 -13.32 C:76 13.59 -14.02 C:81 13.59 -11.20 C:41 14.81 -11.91 17 1 -2 19 2 -1 20 3 -2 4 14 2 5 16 1 6 7 2 6 18 1 7 19 1 8 15 2 8 16 1 9 10 1 9 15 1 20 10 -1 11 12 1 18 11 -2 12 19 1 13 14 1 13 16 1 14 15 1 17 18 1 17 20 1 19 20 1', 'C15H20O5', 280.158, 'C', 'np08_1399_6', 4191, '', '', '1', 1, NULL, NULL),
(16717, 'Isodysetherin', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@@:4]12[CH:5]=[C:6]([CH3:15])[CH2:7][CH2:8][C@:9]1([H])[C@:1]([CH3:10])([CH3:11])[C@@:2]4([CH2:3]2)[C:14](=O)O[C@:13]3([H])O[C@@H:12]34', '[H][C@@]12C=C(C)CC[C@]1([H])[C@](C)(C)[C@@]4(C2)C(=O)O[C@]3([H])O[C@@H]34', '[H][C@@:39]12[CH:122]=[C:135]([CH3:24])[CH2:30][CH2:21][C@:51]1([H])[C@:48]([CH3:29])([CH3:22])[C@@:59]4([CH2:42]2)[C:179](=O)O[C@:78]3([H])O[C@@H:59]34', '21 24 H 16.58 -9.62 H 21.76 -12.81 H 16.58 -13.19 C:15 12.76 -9.95 C:10 19.03 -13.53 C:11 17.69 -13.98 O 19.29 -8.87 C:5 15.30 -9.95 C:7 14.04 -12.13 C:8 15.30 -12.87 C:3 17.97 -10.23 O 21.10 -10.68 O 20.79 -13.53 C:6 14.04 -10.68 C:14 19.71 -10.23 C:12 19.71 -12.59 C:4 16.58 -10.68 C:1 17.97 -12.59 C:13 21.10 -12.13 C:9 16.58 -12.13 C:2 18.83 -11.42 17 1 -2 19 2 -1 20 3 -2 4 14 1 18 5 -2 18 6 -1 7 15 2 8 14 2 8 17 1 9 10 1 9 14 1 10 20 1 11 17 1 11 21 1 12 15 1 12 19 1 16 13 -2 13 19 1 21 15 -1 16 19 1 16 21 1 17 20 1 18 20 1 18 21 1', '21 24 H 16.58 -9.62 H 21.76 -12.81 H 16.58 -13.19 C 12.76 -9.95 C 19.03 -13.53 C 17.69 -13.98 O 19.29 -8.87 C 15.30 -9.95 C 14.04 -12.13 C 15.30 -12.87 C 17.97 -10.23 O 21.10 -10.68 O 20.79 -13.53 C 14.04 -10.68 C 19.71 -10.23 C 19.71 -12.59 C 16.58 -10.68 C 17.97 -12.59 C 21.10 -12.13 C 16.58 -12.13 C 18.83 -11.42 17 1 -2 19 2 -1 20 3 -2 4 14 1 18 5 -2 18 6 -1 7 15 2 8 14 2 8 17 1 9 10 1 9 14 1 10 20 1 11 17 1 11 21 1 12 15 1 12 19 1 16 13 -2 13 19 1 21 15 -1 16 19 1 16 21 1 17 20 1 18 20 1 18 21 1', '21 24 H 16.58 -9.62 H 21.76 -12.81 H 16.58 -13.19 C:24 12.76 -9.95 C:29 19.03 -13.53 C:22 17.69 -13.98 O 19.29 -8.87 C:122 15.30 -9.95 C:30 14.04 -12.13 C:21 15.30 -12.87 C:42 17.97 -10.23 O 21.10 -10.68 O 20.79 -13.53 C:135 14.04 -10.68 C:179 19.71 -10.23 C:59 19.71 -12.59 C:39 16.58 -10.68 C:48 17.97 -12.59 C:78 21.10 -12.13 C:51 16.58 -12.13 C:59 18.83 -11.42 17 1 -2 19 2 -1 20 3 -2 4 14 1 18 5 -2 18 6 -1 7 15 2 8 14 2 8 17 1 9 10 1 9 14 1 10 20 1 11 17 1 11 21 1 12 15 1 12 19 1 16 13 -2 13 19 1 21 15 -1 16 19 1 16 21 1 17 20 1 18 20 1 18 21 1', 'C15H20O3', 248.183, 'C', 'np08_1399_10', 4191, '', '', '1', 1, NULL, NULL),
(16718, 'Spirolingshuiolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@:11]34O[C:10](=O)[C@:8]2([CH2:7][CH2:6][C@:5]1([CH3:13])[C@H:4]([CH3:14])[CH2:3][CH:2]=[CH:1][C@@:9]12[CH3:15])[C@@:12]3([H])O4', '[H][C@]34OC(=O)[C@]2(CC[C@]1(C)[C@H](C)CC=C[C@@]12C)[C@@]3([H])O4', '[H][C@:78]34O[C:178](=O)[C@:58]2([CH2:31][CH2:35][C@:48]1([CH3:15])[C@H:31]([CH3:16])[CH2:31][CH:128]=[CH:131][C@@:52]12[CH3:24])[C@@:59]3([H])O4', '20 23 H 19.24 -7.96 H 19.24 -11.46 C:14 15.25 -14.93 C:15 16.49 -10.08 C:13 16.49 -14.21 O 15.58 -9.71 C:2 13.99 -11.32 C:1 15.25 -10.59 C:3 13.99 -12.77 C:6 17.87 -13.22 C:7 18.72 -12.04 O 17.87 -8.54 O 20.49 -9.71 C:10 17.03 -9.71 C:4 15.25 -13.48 C:11 19.24 -8.98 C:9 16.49 -11.32 C:12 19.24 -10.43 C:5 16.49 -12.77 C:8 17.87 -10.88 16 1 -1 18 2 -1 15 3 -2 17 4 -1 19 5 -1 6 14 2 7 8 2 7 9 1 8 17 1 9 15 1 10 11 1 10 19 1 11 20 1 12 14 1 12 16 1 13 16 1 13 18 1 20 14 -1 15 19 1 16 18 1 17 19 1 17 20 1 18 20 1', '20 23 H 19.24 -7.96 H 19.24 -11.46 C 15.25 -14.93 C 16.49 -10.08 C 16.49 -14.21 O 15.58 -9.71 C 13.99 -11.32 C 15.25 -10.59 C 13.99 -12.77 C 17.87 -13.22 C 18.72 -12.04 O 17.87 -8.54 O 20.49 -9.71 C 17.03 -9.71 C 15.25 -13.48 C 19.24 -8.98 C 16.49 -11.32 C 19.24 -10.43 C 16.49 -12.77 C 17.87 -10.88 16 1 -1 18 2 -1 15 3 -2 17 4 -1 19 5 -1 6 14 2 7 8 2 7 9 1 8 17 1 9 15 1 10 11 1 10 19 1 11 20 1 12 14 1 12 16 1 13 16 1 13 18 1 20 14 -1 15 19 1 16 18 1 17 19 1 17 20 1 18 20 1', '20 23 H 19.24 -7.96 H 19.24 -11.46 C:16 15.25 -14.93 C:24 16.49 -10.08 C:15 16.49 -14.21 O 15.58 -9.71 C:128 13.99 -11.32 C:131 15.25 -10.59 C:31 13.99 -12.77 C:35 17.87 -13.22 C:31 18.72 -12.04 O 17.87 -8.54 O 20.49 -9.71 C:178 17.03 -9.71 C:31 15.25 -13.48 C:78 19.24 -8.98 C:52 16.49 -11.32 C:59 19.24 -10.43 C:48 16.49 -12.77 C:58 17.87 -10.88 16 1 -1 18 2 -1 15 3 -2 17 4 -1 19 5 -1 6 14 2 7 8 2 7 9 1 8 17 1 9 15 1 10 11 1 10 19 1 11 20 1 12 14 1 12 16 1 13 16 1 13 18 1 20 14 -1 15 19 1 16 18 1 17 19 1 17 20 1 18 20 1', 'C15H20O3', 248.175, 'C', 'np08_1399_12', 4191, '', '', '1', 1, NULL, NULL),
(16719, 'Isomicrocionin-3', '', 'Terpenoids', 'Sesquiterpenoids', 'Cyclofarnesanes', '[CH3:14][C:5]2=[C:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11]o[cH:15]1)[C@@:1]([CH3:12])([CH3:13])[CH2:2][CH2:3][CH2:4]2', 'CC2=C(CCc1ccoc1)[C@@](C)(C)CCC2', '[CH3:20][C:128]2=[C:137]([CH2:30][CH2:26][c:126]1[cH:111][cH:143]o[cH:138]1)[C@@:35]([CH3:29])([CH3:29])[CH2:40][CH2:20][CH2:33]2', '16 17 C:14 16.71 -13.60 C:12 13.34 -9.76 C:13 15.13 -9.68 C:11 21.37 -10.56 C:10 20.35 -11.50 C:15 19.42 -9.43 C:3 13.07 -12.90 C:4 14.29 -13.60 C:7 16.71 -10.80 C:8 17.93 -11.50 C:2 13.07 -11.50 O 20.81 -9.28 C:5 15.50 -12.90 C:6 15.50 -11.50 C:9 19.13 -10.80 C:1 14.29 -10.80 1 13 1 16 2 -1 16 3 -2 4 5 2 4 12 1 5 15 1 6 12 1 6 15 2 7 8 1 7 11 1 8 13 1 9 10 1 9 14 1 10 15 1 11 16 1 13 14 2 14 16 1', '16 17 C 16.71 -13.60 C 13.34 -9.76 C 15.13 -9.68 C 21.37 -10.56 C 20.35 -11.50 C 19.42 -9.43 C 13.07 -12.90 C 14.29 -13.60 C 16.71 -10.80 C 17.93 -11.50 C 13.07 -11.50 O 20.81 -9.28 C 15.50 -12.90 C 15.50 -11.50 C 19.13 -10.80 C 14.29 -10.80 1 13 1 16 2 -1 16 3 -2 4 5 2 4 12 1 5 15 1 6 12 1 6 15 2 7 8 1 7 11 1 8 13 1 9 10 1 9 14 1 10 15 1 11 16 1 13 14 2 14 16 1', '16 17 C:20 16.71 -13.60 C:29 13.34 -9.76 C:29 15.13 -9.68 C:143 21.37 -10.56 C:111 20.35 -11.50 C:138 19.42 -9.43 C:20 13.07 -12.90 C:33 14.29 -13.60 C:30 16.71 -10.80 C:26 17.93 -11.50 C:40 13.07 -11.50 O 20.81 -9.28 C:128 15.50 -12.90 C:137 15.50 -11.50 C:126 19.13 -10.80 C:35 14.29 -10.80 1 13 1 16 2 -1 16 3 -2 4 5 2 4 12 1 5 15 1 6 12 1 6 15 2 7 8 1 7 11 1 8 13 1 9 10 1 9 14 1 10 15 1 11 16 1 13 14 2 14 16 1', 'C15H22O', 218.16, 'C', 'np08_2049_1', 4192, '', '4', '1', 1, NULL, NULL),
(16720, '(-)-Microcionin-1', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[CH3:14][C@@H:4]2[CH2:3][CH2:2][CH2:1][C@@:10]3([CH3:13])[c:9]1o[cH:12][cH:11][c:8]1[CH2:7][CH2:6][C@@:5]23[CH3:15]', 'C[C@@H]2CCC[C@@]3(C)c1occc1CC[C@@]23C', '[CH3:17][C@@H:32]2[CH2:31][CH2:24][CH2:32][C@@:40]3([CH3:26])[c:157]1o[cH:140][cH:111][c:115]1[CH2:19][CH2:29][C@@:39]23[CH3:15]', '16 18 C:14 15.53 -14.24 C:13 16.73 -9.33 C:15 16.73 -13.54 C:12 19.65 -8.58 C:11 20.19 -9.85 C:2 14.29 -10.77 C:7 19.18 -12.17 C:3 14.29 -12.17 C:1 15.53 -10.04 C:6 17.96 -12.87 O 18.29 -8.70 C:8 19.18 -10.77 C:9 17.96 -10.04 C:4 15.53 -12.87 C:10 16.73 -10.77 C:5 16.73 -12.17 14 1 -2 15 2 -2 16 3 -2 4 5 2 4 11 1 5 12 1 6 8 1 6 9 1 7 10 1 7 12 1 8 14 1 9 15 1 10 16 1 11 13 1 12 13 2 13 15 1 14 16 1 15 16 1', '16 18 C 15.53 -14.24 C 16.73 -9.33 C 16.73 -13.54 C 19.65 -8.58 C 20.19 -9.85 C 14.29 -10.77 C 19.18 -12.17 C 14.29 -12.17 C 15.53 -10.04 C 17.96 -12.87 O 18.29 -8.70 C 19.18 -10.77 C 17.96 -10.04 C 15.53 -12.87 C 16.73 -10.77 C 16.73 -12.17 14 1 -2 15 2 -2 16 3 -2 4 5 2 4 11 1 5 12 1 6 8 1 6 9 1 7 10 1 7 12 1 8 14 1 9 15 1 10 16 1 11 13 1 12 13 2 13 15 1 14 16 1 15 16 1', '16 18 C:17 15.53 -14.24 C:26 16.73 -9.33 C:15 16.73 -13.54 C:140 19.65 -8.58 C:111 20.19 -9.85 C:24 14.29 -10.77 C:19 19.18 -12.17 C:31 14.29 -12.17 C:32 15.53 -10.04 C:29 17.96 -12.87 O 18.29 -8.70 C:115 19.18 -10.77 C:157 17.96 -10.04 C:32 15.53 -12.87 C:40 16.73 -10.77 C:39 16.73 -12.17 14 1 -2 15 2 -2 16 3 -2 4 5 2 4 11 1 5 12 1 6 8 1 6 9 1 7 10 1 7 12 1 8 14 1 9 15 1 10 16 1 11 13 1 12 13 2 13 15 1 14 16 1 15 16 1', 'C15H22O', 218.16, 'C', 'np08_2049_2', 4192, '', 'Basado en Drimanes', '1', 1, NULL, NULL),
(16721, 'Isomicrocionin-1', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[CH3:14][C@H:4]2[CH2:3][CH2:2][CH2:1][C@@:10]3([CH3:13])[c:9]1o[cH:12][cH:11][c:8]1[CH2:7][CH2:6][C@@:5]23[CH3:15]', 'C[C@H]2CCC[C@@]3(C)c1occc1CC[C@@]23C', '[CH3:17][C@H:37]2[CH2:31][CH2:22][CH2:38][C@@:38]3([CH3:17])[c:159]1o[cH:140][cH:110][c:113]1[CH2:19][CH2:24][C@@:39]23[CH3:21]', '16 18 C:14 15.53 -14.24 C:13 16.73 -9.33 C:15 16.73 -13.54 C:12 19.65 -8.58 C:11 20.19 -9.85 C:2 14.29 -10.77 C:7 19.18 -12.17 C:3 14.29 -12.17 C:1 15.53 -10.04 C:6 17.96 -12.87 O 18.29 -8.70 C:8 19.18 -10.77 C:9 17.96 -10.04 C:4 15.53 -12.87 C:10 16.73 -10.77 C:5 16.73 -12.17 14 1 -1 15 2 -2 16 3 -2 4 5 2 4 11 1 5 12 1 6 8 1 6 9 1 7 10 1 7 12 1 8 14 1 9 15 1 10 16 1 11 13 1 12 13 2 13 15 1 14 16 1 15 16 1', '16 18 C 15.53 -14.24 C 16.73 -9.33 C 16.73 -13.54 C 19.65 -8.58 C 20.19 -9.85 C 14.29 -10.77 C 19.18 -12.17 C 14.29 -12.17 C 15.53 -10.04 C 17.96 -12.87 O 18.29 -8.70 C 19.18 -10.77 C 17.96 -10.04 C 15.53 -12.87 C 16.73 -10.77 C 16.73 -12.17 14 1 -1 15 2 -2 16 3 -2 4 5 2 4 11 1 5 12 1 6 8 1 6 9 1 7 10 1 7 12 1 8 14 1 9 15 1 10 16 1 11 13 1 12 13 2 13 15 1 14 16 1 15 16 1', '16 18 C:17 15.53 -14.24 C:17 16.73 -9.33 C:21 16.73 -13.54 C:140 19.65 -8.58 C:110 20.19 -9.85 C:22 14.29 -10.77 C:19 19.18 -12.17 C:31 14.29 -12.17 C:38 15.53 -10.04 C:24 17.96 -12.87 O 18.29 -8.70 C:113 19.18 -10.77 C:159 17.96 -10.04 C:37 15.53 -12.87 C:38 16.73 -10.77 C:39 16.73 -12.17 14 1 -1 15 2 -2 16 3 -2 4 5 2 4 11 1 5 12 1 6 8 1 6 9 1 7 10 1 7 12 1 8 14 1 9 15 1 10 16 1 11 13 1 12 13 2 13 15 1 14 16 1 15 16 1', 'C15H22O', 218.16, 'C', 'np08_2049_3', 4192, '', '', '1', 1, NULL, NULL),
(16722, '(-)-Pallescensin-1', '', 'Terpenoids', 'Sesquiterpenoids', 'Cyclofarnesanes', '[CH3:14][C:5]1=[CH:4][CH2:3][CH2:2][C@@:1]([CH3:13])([CH3:12])[C@@H:6]1[CH2:7][CH2:8][c:9]2[cH:10][cH:11]o[cH:15]2', 'CC1=CCC[C@@](C)(C)[C@@H]1CCc2ccoc2', '[CH3:24][C:136]1=[CH:120][CH2:23][CH2:32][C@@:33]([CH3:27])([CH3:27])[C@@H:49]1[CH2:32][CH2:26][c:126]2[cH:111][cH:141]o[cH:139]2', '16 17 C:14 16.71 -13.60 C:13 15.13 -9.68 C:12 13.34 -9.76 C:4 14.29 -13.60 C:11 21.37 -10.56 C:10 20.35 -11.50 C:15 19.42 -9.43 C:3 13.07 -12.90 C:8 17.93 -11.50 C:7 16.71 -10.80 C:2 13.07 -11.50 O 20.81 -9.28 C:5 15.50 -12.90 C:9 19.13 -10.80 C:6 15.50 -11.50 C:1 14.29 -10.80 1 13 1 16 2 -2 16 3 -1 4 8 1 4 13 2 5 6 2 5 12 1 6 14 1 7 12 1 7 14 2 8 11 1 9 10 1 9 14 1 15 10 -2 11 16 1 13 15 1 15 16 1', '16 17 C 16.71 -13.60 C 15.13 -9.68 C 13.34 -9.76 C 14.29 -13.60 C 21.37 -10.56 C 20.35 -11.50 C 19.42 -9.43 C 13.07 -12.90 C 17.93 -11.50 C 16.71 -10.80 C 13.07 -11.50 O 20.81 -9.28 C 15.50 -12.90 C 19.13 -10.80 C 15.50 -11.50 C 14.29 -10.80 1 13 1 16 2 -2 16 3 -1 4 8 1 4 13 2 5 6 2 5 12 1 6 14 1 7 12 1 7 14 2 8 11 1 9 10 1 9 14 1 15 10 -2 11 16 1 13 15 1 15 16 1', '16 17 C:24 16.71 -13.60 C:27 15.13 -9.68 C:27 13.34 -9.76 C:120 14.29 -13.60 C:141 21.37 -10.56 C:111 20.35 -11.50 C:139 19.42 -9.43 C:23 13.07 -12.90 C:26 17.93 -11.50 C:32 16.71 -10.80 C:32 13.07 -11.50 O 20.81 -9.28 C:136 15.50 -12.90 C:126 19.13 -10.80 C:49 15.50 -11.50 C:33 14.29 -10.80 1 13 1 16 2 -2 16 3 -1 4 8 1 4 13 2 5 6 2 5 12 1 6 14 1 7 12 1 7 14 2 8 11 1 9 10 1 9 14 1 15 10 -2 11 16 1 13 15 1 15 16 1', 'C15H22O', 218.16, '', 'np08_2049_5', 4192, '', '4', '1', 1, NULL, NULL),
(16723, 'Drimanes', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8]1=[CH:12]O[C@@H:11](O[C:11001](=O)[CH2:11002][CH3:11003])[C@:9]1([H])[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23CCC1=CO[C@@H](OC(=O)CC)[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:53]23[CH2:23][CH2:23][C:114]1=[CH:135]O[C@@H:98](O[C:173](=O)[CH2:30][CH3:14])[C@:65]1([H])[C@@:37]2([CH3:14])[CH2:40][CH2:19][CH2:42][C@@:33]3([CH3:22])[CH3:34]', '23 25 H 16.73 -15.68 H 18.00 -13.42 C:11003 17.48 -6.27 C:14 14.57 -16.43 C:13 16.22 -16.57 C:15 16.73 -11.78 O 19.26 -8.42 C:12 20.32 -12.25 C:11002 17.01 -7.57 C:2 14.21 -13.19 C:7 19.26 -14.62 C:3 14.21 -14.62 C:6 18.00 -15.35 C:1 15.48 -12.43 O 19.76 -10.92 O 17.42 -9.95 C:11001 17.90 -8.65 C:8 19.26 -13.19 C:11 18.35 -11.05 C:4 15.48 -15.35 C:5 16.73 -14.62 C:9 18.00 -12.43 C:10 16.73 -13.19 21 1 -2 22 2 -2 3 9 1 20 4 -1 20 5 -2 23 6 -1 7 17 2 8 15 1 8 18 2 9 17 1 10 12 1 10 14 1 11 13 1 11 18 1 12 20 1 13 21 1 14 23 1 15 19 1 16 17 1 19 16 -2 18 22 1 19 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 16.73 -15.68 H 18.00 -13.42 C 17.48 -6.27 C 14.57 -16.43 C 16.22 -16.57 C 16.73 -11.78 O 19.26 -8.42 C 20.32 -12.25 C 17.01 -7.57 C 14.21 -13.19 C 19.26 -14.62 C 14.21 -14.62 C 18.00 -15.35 C 15.48 -12.43 O 19.76 -10.92 O 17.42 -9.95 C 17.90 -8.65 C 19.26 -13.19 C 18.35 -11.05 C 15.48 -15.35 C 16.73 -14.62 C 18.00 -12.43 C 16.73 -13.19 21 1 -2 22 2 -2 3 9 1 20 4 -1 20 5 -2 23 6 -1 7 17 2 8 15 1 8 18 2 9 17 1 10 12 1 10 14 1 11 13 1 11 18 1 12 20 1 13 21 1 14 23 1 15 19 1 16 17 1 19 16 -2 18 22 1 19 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 16.73 -15.68 H 18.00 -13.42 C:14 17.48 -6.27 C:22 14.57 -16.43 C:34 16.22 -16.57 C:14 16.73 -11.78 O 19.26 -8.42 C:135 20.32 -12.25 C:30 17.01 -7.57 C:19 14.21 -13.19 C:23 19.26 -14.62 C:42 14.21 -14.62 C:23 18.00 -15.35 C:40 15.48 -12.43 O 19.76 -10.92 O 17.42 -9.95 C:173 17.90 -8.65 C:114 19.26 -13.19 C:98 18.35 -11.05 C:33 15.48 -15.35 C:53 16.73 -14.62 C:65 18.00 -12.43 C:37 16.73 -13.19 21 1 -2 22 2 -2 3 9 1 20 4 -1 20 5 -2 23 6 -1 7 17 2 8 15 1 8 18 2 9 17 1 10 12 1 10 14 1 11 13 1 11 18 1 12 20 1 13 21 1 14 23 1 15 19 1 16 17 1 19 16 -2 18 22 1 19 22 1 20 21 1 21 23 1 22 23 1', 'C18H28O3', 292.207, 'C', 'np08_2053_1', 4193, '', 'he intercambiado C13 con C15', '1', 1, NULL, NULL),
(16724, '15-acetoxy-ent-pallescensin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@:5]23[CH2:6][CH2:7][c:8]1[cH:11][cH:12]o[c:9]1[C@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:13])[CH2:14]O[C:14001]([CH3:14002])=O', '[H][C@]23CCc1ccoc1[C@]2(C)CCC[C@@]3(C)COC(C)=O', '[H][C@:53]23[CH2:20][CH2:23][c:114]1[cH:110][cH:140]o[c:159]1[C@:36]2([CH3:22])[CH2:36][CH2:18][CH2:37][C@@:37]3([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '21 23 H 18.41 -12.33 C:14002 12.62 -13.64 C:13 17.91 -13.21 C:15 18.41 -8.50 O 14.47 -15.20 C:12 21.40 -7.65 C:11 21.93 -8.96 C:2 15.92 -9.88 C:7 20.90 -11.28 C:3 15.92 -11.28 C:1 17.17 -9.13 C:6 19.65 -12.01 C:14 16.27 -13.07 O 14.89 -12.82 O 20.00 -7.78 C:14001 14.00 -13.89 C:8 20.90 -9.88 C:9 19.65 -9.13 C:4 17.17 -12.01 C:5 18.41 -11.28 C:10 18.41 -9.88 20 1 -1 2 16 1 19 3 -1 21 4 -2 5 16 2 6 7 2 6 15 1 7 17 1 8 10 1 8 11 1 9 12 1 9 17 1 10 19 1 11 21 1 12 20 1 13 14 1 19 13 -2 14 16 1 15 18 1 17 18 2 18 21 1 19 20 1 20 21 1', '21 23 H 18.41 -12.33 C 12.62 -13.64 C 17.91 -13.21 C 18.41 -8.50 O 14.47 -15.20 C 21.40 -7.65 C 21.93 -8.96 C 15.92 -9.88 C 20.90 -11.28 C 15.92 -11.28 C 17.17 -9.13 C 19.65 -12.01 C 16.27 -13.07 O 14.89 -12.82 O 20.00 -7.78 C 14.00 -13.89 C 20.90 -9.88 C 19.65 -9.13 C 17.17 -12.01 C 18.41 -11.28 C 18.41 -9.88 20 1 -1 2 16 1 19 3 -1 21 4 -2 5 16 2 6 7 2 6 15 1 7 17 1 8 10 1 8 11 1 9 12 1 9 17 1 10 19 1 11 21 1 12 20 1 13 14 1 19 13 -2 14 16 1 15 18 1 17 18 2 18 21 1 19 20 1 20 21 1', '21 23 H 18.41 -12.33 C:21 12.62 -13.64 C:28 17.91 -13.21 C:22 18.41 -8.50 O 14.47 -15.20 C:140 21.40 -7.65 C:110 21.93 -8.96 C:18 15.92 -9.88 C:23 20.90 -11.28 C:37 15.92 -11.28 C:36 17.17 -9.13 C:20 19.65 -12.01 C:67 16.27 -13.07 O 14.89 -12.82 O 20.00 -7.78 C:171 14.00 -13.89 C:114 20.90 -9.88 C:159 19.65 -9.13 C:37 17.17 -12.01 C:53 18.41 -11.28 C:36 18.41 -9.88 20 1 -1 2 16 1 19 3 -1 21 4 -2 5 16 2 6 7 2 6 15 1 7 17 1 8 10 1 8 11 1 9 12 1 9 17 1 10 19 1 11 21 1 12 20 1 13 14 1 19 13 -2 14 16 1 15 18 1 17 18 2 18 21 1 19 20 1 20 21 1', 'C17H24O3', 276.188, 'C', 'np08_2053_2', 4193, '', 'he intercambiado C13 con C15', '1', 1, NULL, NULL),
(16725, 'Acetylpelseneeriol-1', '', 'Terpenoids', 'Sesquiterpenoids', 'Friedocyclofarnesanes', '[CH3:3002][C:3001](=O)O[C@H:3]2[CH:2]=[C:1]([CH3:12])[C@@:6]([CH3:13])([CH2:7][CH2:8][c:9]1[cH:10][cH:11]o[cH:15]1)[C@H:5]([CH3:14])[CH2:4]2', 'CC(=O)O[C@H]2C=C(C)[C@@](C)(CCc1ccoc1)[C@H](C)C2', '[CH3:21][C:171](=O)O[C@H:68]2[CH:122]=[C:147]([CH3:19])[C@@:41]([CH3:20])([CH2:36][CH2:19][c:126]1[cH:111][cH:143]o[cH:138]1)[C@H:28]([CH3:15])[CH2:33]2', '20 21 C:3002 11.28 -13.59 C:12 16.17 -9.39 C:14 18.58 -13.59 C:13 17.38 -10.08 O 12.52 -11.48 C:2 14.94 -11.48 C:11 23.23 -10.55 C:10 22.21 -11.48 C:15 21.31 -9.39 C:8 19.80 -11.48 C:7 18.58 -10.79 C:4 16.17 -13.59 O 13.72 -13.59 O 22.67 -9.27 C:3001 12.52 -12.90 C:1 16.17 -10.79 C:9 21.02 -10.79 C:5 17.38 -12.90 C:3 14.94 -12.90 C:6 17.38 -11.48 1 15 1 2 16 1 18 3 -2 20 4 -2 5 15 2 6 16 2 6 19 1 7 8 2 7 14 1 8 17 1 9 14 1 9 17 2 10 11 1 10 17 1 20 11 -1 12 18 1 12 19 1 13 15 1 19 13 -1 16 20 1 18 20 1', '20 21 C 11.28 -13.59 C 16.17 -9.39 C 18.58 -13.59 C 17.38 -10.08 O 12.52 -11.48 C 14.94 -11.48 C 23.23 -10.55 C 22.21 -11.48 C 21.31 -9.39 C 19.80 -11.48 C 18.58 -10.79 C 16.17 -13.59 O 13.72 -13.59 O 22.67 -9.27 C 12.52 -12.90 C 16.17 -10.79 C 21.02 -10.79 C 17.38 -12.90 C 14.94 -12.90 C 17.38 -11.48 1 15 1 2 16 1 18 3 -2 20 4 -2 5 15 2 6 16 2 6 19 1 7 8 2 7 14 1 8 17 1 9 14 1 9 17 2 10 11 1 10 17 1 20 11 -1 12 18 1 12 19 1 13 15 1 19 13 -1 16 20 1 18 20 1', '20 21 C:21 11.28 -13.59 C:19 16.17 -9.39 C:15 18.58 -13.59 C:20 17.38 -10.08 O 12.52 -11.48 C:122 14.94 -11.48 C:143 23.23 -10.55 C:111 22.21 -11.48 C:138 21.31 -9.39 C:19 19.80 -11.48 C:36 18.58 -10.79 C:33 16.17 -13.59 O 13.72 -13.59 O 22.67 -9.27 C:171 12.52 -12.90 C:147 16.17 -10.79 C:126 21.02 -10.79 C:28 17.38 -12.90 C:68 14.94 -12.90 C:41 17.38 -11.48 1 15 1 2 16 1 18 3 -2 20 4 -2 5 15 2 6 16 2 6 19 1 7 8 2 7 14 1 8 17 1 9 14 1 9 17 2 10 11 1 10 17 1 20 11 -1 12 18 1 12 19 1 13 15 1 19 13 -1 16 20 1 18 20 1', 'C17H24O3', 276.18, 'C', 'np08_2053_7', 4193, '', '', '1', 1, NULL, NULL),
(16726, 'Acetylpelseneeriol-2', '', 'Terpenoids', 'Sesquiterpenoids', 'Friedocyclofarnesanes', '[CH3:3002][C:3001](=O)O[C@@H:3]2[CH:2]=[C:1]([CH3:12])[C@@:6]([CH3:13])([CH2:7][CH2:8][c:9]1[cH:10][cH:11]o[cH:15]1)[C@H:5]([CH3:14])[CH2:4]2', 'CC(=O)O[C@@H]2C=C(C)[C@@](C)(CCc1ccoc1)[C@H](C)C2', '[CH3:21][C:171](=O)O[C@@H:71]2[CH:125]=[C:144]([CH3:19])[C@@:41]([CH3:20])([CH2:36][CH2:20][c:125]1[cH:111][cH:143]o[cH:139]1)[C@H:32]([CH3:16])[CH2:32]2', '20 21 C:3002 11.25 -13.60 C:12 16.13 -9.41 C:14 18.55 -13.60 C:13 17.34 -10.10 O 12.48 -11.50 C:2 14.90 -11.50 C:11 23.21 -10.57 C:10 22.19 -11.50 C:15 21.29 -9.41 C:8 19.77 -11.50 C:7 18.55 -10.81 C:4 16.13 -13.60 O 13.68 -13.60 O 22.65 -9.29 C:3001 12.48 -12.91 C:1 16.13 -10.81 C:9 21.00 -10.81 C:5 17.34 -12.91 C:3 14.90 -12.91 C:6 17.34 -11.50 1 15 1 2 16 1 18 3 -2 20 4 -2 5 15 2 6 16 2 6 19 1 7 8 2 7 14 1 8 17 1 9 14 1 9 17 2 10 11 1 10 17 1 20 11 -1 12 18 1 12 19 1 13 15 1 19 13 -2 16 20 1 18 20 1', '20 21 C 11.25 -13.60 C 16.13 -9.41 C 18.55 -13.60 C 17.34 -10.10 O 12.48 -11.50 C 14.90 -11.50 C 23.21 -10.57 C 22.19 -11.50 C 21.29 -9.41 C 19.77 -11.50 C 18.55 -10.81 C 16.13 -13.60 O 13.68 -13.60 O 22.65 -9.29 C 12.48 -12.91 C 16.13 -10.81 C 21.00 -10.81 C 17.34 -12.91 C 14.90 -12.91 C 17.34 -11.50 1 15 1 2 16 1 18 3 -2 20 4 -2 5 15 2 6 16 2 6 19 1 7 8 2 7 14 1 8 17 1 9 14 1 9 17 2 10 11 1 10 17 1 20 11 -1 12 18 1 12 19 1 13 15 1 19 13 -2 16 20 1 18 20 1', '20 21 C:21 11.25 -13.60 C:19 16.13 -9.41 C:16 18.55 -13.60 C:20 17.34 -10.10 O 12.48 -11.50 C:125 14.90 -11.50 C:143 23.21 -10.57 C:111 22.19 -11.50 C:139 21.29 -9.41 C:20 19.77 -11.50 C:36 18.55 -10.81 C:32 16.13 -13.60 O 13.68 -13.60 O 22.65 -9.29 C:171 12.48 -12.91 C:144 16.13 -10.81 C:125 21.00 -10.81 C:32 17.34 -12.91 C:71 14.90 -12.91 C:41 17.34 -11.50 1 15 1 2 16 1 18 3 -2 20 4 -2 5 15 2 6 16 2 6 19 1 7 8 2 7 14 1 8 17 1 9 14 1 9 17 2 10 11 1 10 17 1 20 11 -1 12 18 1 12 19 1 13 15 1 19 13 -2 16 20 1 18 20 1', 'C17H24O3', 276.18, 'C', 'np08_2053_8', 4193, '', '', '1', 1, NULL, NULL),
(16727, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Friedocyclofarnesanes', '[CH3:12][C:1]1=[CH:2][C:3](=O)[CH2:4][C@@H:5]([CH3:14])[C@:6]1([CH3:13])[CH2:7][CH2:8][c:9]2[cH:10][cH:11]o[cH:15]2', 'CC1=CC(=O)C[C@@H](C)[C@]1(C)CCc2ccoc2', '[CH3:26][C:165]1=[CH:129][C:197](=O)[CH2:42][C@@H:34]([CH3:14])[C@:34]1([CH3:15])[CH2:9999][CH2:9999][c:9999]2[cH:111][cH:140]o[cH:138]2', '17 18 C:12 14.92 -9.36 C:14 17.34 -13.57 C:13 16.12 -10.05 O 12.47 -13.57 C:2 13.69 -11.45 C:11 21.99 -10.52 C:10 20.97 -11.45 C:15 20.07 -9.36 C:8 18.56 -11.45 C:7 17.34 -10.76 C:4 14.92 -13.57 O 21.43 -9.24 C:3 13.69 -12.87 C:1 14.92 -10.76 C:9 19.78 -10.76 C:5 16.12 -12.87 C:6 16.12 -11.45 1 14 1 16 2 -2 17 3 -2 4 13 2 5 13 1 5 14 2 6 7 2 6 12 1 7 15 1 8 12 1 8 15 2 9 10 1 9 15 1 17 10 -1 11 13 1 11 16 1 14 17 1 16 17 1', '17 18 C 14.92 -9.36 C 17.34 -13.57 C 16.12 -10.05 O 12.47 -13.57 C 13.69 -11.45 C 21.99 -10.52 C 20.97 -11.45 C 20.07 -9.36 C 18.56 -11.45 C 17.34 -10.76 C 14.92 -13.57 O 21.43 -9.24 C 13.69 -12.87 C 14.92 -10.76 C 19.78 -10.76 C 16.12 -12.87 C 16.12 -11.45 1 14 1 16 2 -2 17 3 -2 4 13 2 5 13 1 5 14 2 6 7 2 6 12 1 7 15 1 8 12 1 8 15 2 9 10 1 9 15 1 17 10 -1 11 13 1 11 16 1 14 17 1 16 17 1', '17 18 C:26 14.92 -9.36 C:14 17.34 -13.57 C:15 16.12 -10.05 O 12.47 -13.57 C:129 13.69 -11.45 C:140 21.99 -10.52 C:111 20.97 -11.45 C:138 20.07 -9.36 C 18.56 -11.45 C 17.34 -10.76 C:42 14.92 -13.57 O 21.43 -9.24 C:197 13.69 -12.87 C:165 14.92 -10.76 C 19.78 -10.76 C:34 16.12 -12.87 C:34 16.12 -11.45 1 14 1 16 2 -2 17 3 -2 4 13 2 5 13 1 5 14 2 6 7 2 6 12 1 7 15 1 8 12 1 8 15 2 9 10 1 9 15 1 17 10 -1 11 13 1 11 16 1 14 17 1 16 17 1', 'C15H20O2', 232.159, 'B', 'np08_2053_9', 4193, '', '', '1', 1, NULL, NULL),
(16728, 'IsoVaginatin', '', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[CH3:10004][CH:10003]=[C:10002]([CH3:10201])[C:10001](=O)O[C@H:10]1[CH:9]=[C:8]([CH3:14])[CH2:7][CH2:6][C@@:5]2(O)[C@H:4]([CH:11]([CH3:12])[CH3:13])[CH2:3][C:2](=O)[C@@:1]12[CH3:15]', 'CC=C(C)C(=O)O[C@H]1C=C(C)CC[C@@]2(O)[C@H](C(C)C)CC(=O)[C@@]12C', '[CH3:16][CH:139]=[C:127]([CH3:21])[C:166](=O)O[C@H:76]1[CH:120]=[C:146]([CH3:26])[CH2:29][CH2:37][C@@:83]2(O)[C@H:51]([CH:26]([CH3:21])[CH3:24])[CH2:38][C:218](=O)[C@@:83]12[CH3:18]', '24 25 C:10004 21.92 -8.30 C:14 20.72 -13.91 C:10201 18.40 -7.23 C:12 12.53 -14.11 C:13 14.26 -15.63 C:15 16.65 -10.45 O 20.51 -10.24 O 15.50 -9.65 O 15.78 -14.51 C:10003 20.80 -7.48 C:9 19.19 -12.08 C:7 18.40 -14.51 C:6 16.99 -14.33 C:3 14.36 -11.87 O 18.12 -9.99 C:8 19.38 -13.48 C:10002 19.54 -8.04 C:10001 19.38 -9.43 C:2 15.50 -11.03 C:11 13.90 -14.33 C:10 17.98 -11.36 C:4 14.80 -13.19 C:1 16.65 -11.87 C:5 16.21 -13.19 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 19 1 14 22 1 15 18 1 21 15 -1 17 18 1 19 23 1 22 20 -2 21 23 1 22 24 1 23 24 1', '24 25 C 21.92 -8.30 C 20.72 -13.91 C 18.40 -7.23 C 12.53 -14.11 C 14.26 -15.63 C 16.65 -10.45 O 20.51 -10.24 O 15.50 -9.65 O 15.78 -14.51 C 20.80 -7.48 C 19.19 -12.08 C 18.40 -14.51 C 16.99 -14.33 C 14.36 -11.87 O 18.12 -9.99 C 19.38 -13.48 C 19.54 -8.04 C 19.38 -9.43 C 15.50 -11.03 C 13.90 -14.33 C 17.98 -11.36 C 14.80 -13.19 C 16.65 -11.87 C 16.21 -13.19 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 19 1 14 22 1 15 18 1 21 15 -1 17 18 1 19 23 1 22 20 -2 21 23 1 22 24 1 23 24 1', '24 25 C:16 21.92 -8.30 C:26 20.72 -13.91 C:21 18.40 -7.23 C:21 12.53 -14.11 C:24 14.26 -15.63 C:18 16.65 -10.45 O 20.51 -10.24 O 15.50 -9.65 O 15.78 -14.51 C:139 20.80 -7.48 C:120 19.19 -12.08 C:29 18.40 -14.51 C:37 16.99 -14.33 C:38 14.36 -11.87 O 18.12 -9.99 C:146 19.38 -13.48 C:127 19.54 -8.04 C:166 19.38 -9.43 C:218 15.50 -11.03 C:26 13.90 -14.33 C:76 17.98 -11.36 C:51 14.80 -13.19 C:83 16.65 -11.87 C:83 16.21 -13.19 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 19 1 14 22 1 15 18 1 21 15 -1 17 18 1 19 23 1 22 20 -2 21 23 1 22 24 1 23 24 1', 'C20H30O4', 334.212, 'C', 'jf08_10252_5', 4194, '', '3a', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16729, '2-Epilaserinoxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[CH3:10004][CH:10003]=[C:10002]([CH3:10201])[C:10001](=O)O[C@H:10]1[CH:9]=[C:8]([CH3:14])[CH2:7][CH2:6][C@@:5]2(O)[C@H:4]([CH:11]([CH3:13])[CH3:12])[CH2:3][C:2](=O)[C@@:1]12[CH3:15]', 'CC=C(C)C(=O)O[C@H]1C=C(C)CC[C@@]2(O)[C@H](C(C)C)CC(=O)[C@@]12C', '[CH3:12][CH:140]=[C:127]([CH3:14])[C:166](=O)O[C@H:76]1[CH:120]=[C:146]([CH3:26])[CH2:29][CH2:37][C@@:83]2(O)[C@H:51]([CH:26]([CH3:24])[CH3:21])[CH2:38][C:218](=O)[C@@:83]12[CH3:18]', '24 25 C:10004 21.44 -6.65 C:14 21.22 -14.47 C:10201 18.90 -7.79 C:13 14.76 -16.19 C:12 13.03 -14.67 C:15 17.15 -11.01 O 21.01 -10.80 O 16.00 -10.21 O 16.28 -15.07 C:10003 21.30 -8.04 C:9 19.69 -12.64 C:7 18.90 -15.07 C:6 17.49 -14.89 C:3 14.86 -12.43 O 18.62 -10.55 C:8 19.88 -14.04 C:10002 20.04 -8.60 C:10001 19.88 -9.99 C:2 16.00 -11.59 C:11 14.40 -14.89 C:10 18.48 -11.92 C:4 15.30 -13.75 C:1 17.15 -12.43 C:5 16.71 -13.75 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 19 1 14 22 1 15 18 1 21 15 -1 17 18 1 19 23 1 22 20 -2 21 23 1 22 24 1 23 24 1', '24 25 C 21.44 -6.65 C 21.22 -14.47 C 18.90 -7.79 C 14.76 -16.19 C 13.03 -14.67 C 17.15 -11.01 O 21.01 -10.80 O 16.00 -10.21 O 16.28 -15.07 C 21.30 -8.04 C 19.69 -12.64 C 18.90 -15.07 C 17.49 -14.89 C 14.86 -12.43 O 18.62 -10.55 C 19.88 -14.04 C 20.04 -8.60 C 19.88 -9.99 C 16.00 -11.59 C 14.40 -14.89 C 18.48 -11.92 C 15.30 -13.75 C 17.15 -12.43 C 16.71 -13.75 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 19 1 14 22 1 15 18 1 21 15 -1 17 18 1 19 23 1 22 20 -2 21 23 1 22 24 1 23 24 1', '24 25 C:12 21.44 -6.65 C:26 21.22 -14.47 C:14 18.90 -7.79 C:24 14.76 -16.19 C:21 13.03 -14.67 C:18 17.15 -11.01 O 21.01 -10.80 O 16.00 -10.21 O 16.28 -15.07 C:140 21.30 -8.04 C:120 19.69 -12.64 C:29 18.90 -15.07 C:37 17.49 -14.89 C:38 14.86 -12.43 O 18.62 -10.55 C:146 19.88 -14.04 C:127 20.04 -8.60 C:166 19.88 -9.99 C:218 16.00 -11.59 C:26 14.40 -14.89 C:76 18.48 -11.92 C:51 15.30 -13.75 C:83 17.15 -12.43 C:83 16.71 -13.75 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 19 1 14 22 1 15 18 1 21 15 -1 17 18 1 19 23 1 22 20 -2 21 23 1 22 24 1 23 24 1', 'C20H30O4', 334.212, 'C+C', 'jf08_10252_6', 4194, '', '3a', '1', 1, NULL, NULL),
(16730, '2-Epilaserinoxide', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', '[CH3:7004][CH:7003]=[C:7002]([CH3:7201])[C:7001](=O)O[C@@H:7]([c:1]2[cH:2][c:3](O[CH3:3001])[c:4]1O[CH2:4001]O[c:5]1[cH:6]2)[C@@H:8]([CH3:9])O[C:8001](=O)[C:8002]3([CH3:8201])O[CH:8003]3[CH3:8004]', 'CC=C(C)C(=O)O[C@@H](c2cc(OC)c1OCOc1c2)[C@@H](C)OC(=O)C3(C)OC3C', '[CH3:16][CH:140]=[C:128]([CH3:21])[C:166](=O)O[C@@H:76]([c:131]2[cH:107][c:149](O[CH3:57])[c:136]1O[CH2:102]O[c:144]1[cH:101]2)[C@@H:73]([CH3:16])O[C:169](=O)[C:60]3([CH3:19])O[CH:60]3[CH3:13]', '29 31 C:7004 21.96 -6.90 C:3001 14.66 -15.28 C:7201 18.29 -6.19 C:9 20.76 -10.41 C:8004 21.96 -16.70 C:8201 19.54 -15.28 O 20.76 -8.95 O 21.96 -12.51 C:7003 20.76 -6.19 C:2 17.07 -12.51 C:6 15.87 -10.41 C:4001 12.51 -11.81 O 15.87 -14.59 O 13.33 -10.68 O 13.33 -12.94 O 18.29 -9.01 O 19.54 -12.51 O 21.96 -13.89 C:7002 19.54 -6.90 C:7001 19.54 -8.27 C:8001 20.76 -13.21 C:1 17.07 -11.11 C:3 15.87 -13.21 C:5 14.66 -11.11 C:4 14.66 -12.51 C:8 19.54 -11.11 C:8003 21.96 -15.28 C:7 18.29 -10.41 C:8002 20.76 -14.59 1 9 1 2 13 1 3 19 1 4 26 1 5 27 1 6 29 1 7 20 2 8 21 2 9 19 2 10 22 1 10 23 2 11 22 2 11 24 1 12 14 1 12 15 1 13 23 1 14 24 1 15 25 1 16 20 1 28 16 -2 17 21 1 26 17 -1 18 27 1 18 29 1 19 20 1 21 29 1 22 28 1 23 25 1 24 25 2 26 28 1 27 29 1', '29 31 C 21.96 -6.90 C 14.66 -15.28 C 18.29 -6.19 C 20.76 -10.41 C 21.96 -16.70 C 19.54 -15.28 O 20.76 -8.95 O 21.96 -12.51 C 20.76 -6.19 C 17.07 -12.51 C 15.87 -10.41 C 12.51 -11.81 O 15.87 -14.59 O 13.33 -10.68 O 13.33 -12.94 O 18.29 -9.01 O 19.54 -12.51 O 21.96 -13.89 C 19.54 -6.90 C 19.54 -8.27 C 20.76 -13.21 C 17.07 -11.11 C 15.87 -13.21 C 14.66 -11.11 C 14.66 -12.51 C 19.54 -11.11 C 21.96 -15.28 C 18.29 -10.41 C 20.76 -14.59 1 9 1 2 13 1 3 19 1 4 26 1 5 27 1 6 29 1 7 20 2 8 21 2 9 19 2 10 22 1 10 23 2 11 22 2 11 24 1 12 14 1 12 15 1 13 23 1 14 24 1 15 25 1 16 20 1 28 16 -2 17 21 1 26 17 -1 18 27 1 18 29 1 19 20 1 21 29 1 22 28 1 23 25 1 24 25 2 26 28 1 27 29 1', '29 31 C:16 21.96 -6.90 C:57 14.66 -15.28 C:21 18.29 -6.19 C:16 20.76 -10.41 C:13 21.96 -16.70 C:19 19.54 -15.28 O 20.76 -8.95 O 21.96 -12.51 C:140 20.76 -6.19 C:107 17.07 -12.51 C:101 15.87 -10.41 C:102 12.51 -11.81 O 15.87 -14.59 O 13.33 -10.68 O 13.33 -12.94 O 18.29 -9.01 O 19.54 -12.51 O 21.96 -13.89 C:128 19.54 -6.90 C:166 19.54 -8.27 C:169 20.76 -13.21 C:131 17.07 -11.11 C:149 15.87 -13.21 C:144 14.66 -11.11 C:136 14.66 -12.51 C:73 19.54 -11.11 C:60 21.96 -15.28 C:76 18.29 -10.41 C:60 20.76 -14.59 1 9 1 2 13 1 3 19 1 4 26 1 5 27 1 6 29 1 7 20 2 8 21 2 9 19 2 10 22 1 10 23 2 11 22 2 11 24 1 12 14 1 12 15 1 13 23 1 14 24 1 15 25 1 16 20 1 28 16 -2 17 21 1 26 17 -1 18 27 1 18 29 1 19 20 1 21 29 1 22 28 1 23 25 1 24 25 2 26 28 1 27 29 1', 'C21H26O8', 406.22, 'C', 'jf08_10252_7', 4194, '', '1''', '1', 1, NULL, NULL),
(16731, 'Laserinoxide', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', '[CH3:7004][CH:7003]=[C:7002]([CH3:7201])[C:7001](=O)O[C@H:7]([c:1]2[cH:2][c:3](O[CH3:3001])[c:4]1O[CH2:4001]O[c:5]1[cH:6]2)[C@@H:8]([CH3:9])O[C:8001](=O)[C:8002]3([CH3:8201])O[CH:8003]3[CH3:8004]', 'CC=C(C)C(=O)O[C@H](c2cc(OC)c1OCOc1c2)[C@@H](C)OC(=O)C3(C)OC3C', '[CH3:16][CH:140]=[C:128]([CH3:21])[C:166](=O)O[C@H:76]([c:131]2[cH:107][c:149](O[CH3:57])[c:136]1O[CH2:102]O[c:144]1[cH:101]2)[C@@H:73]([CH3:16])O[C:169](=O)[C:60]3([CH3:19])O[CH:60]3[CH3:13]', '29 31 C:7004 21.96 -6.90 C:3001 14.66 -15.28 C:7201 18.29 -6.19 C:9 20.76 -10.41 C:8004 21.96 -16.70 C:8201 19.54 -15.28 O 20.76 -8.95 O 21.96 -12.51 C:7003 20.76 -6.19 C:2 17.07 -12.51 C:6 15.87 -10.41 C:4001 12.51 -11.81 O 15.87 -14.59 O 13.33 -10.68 O 13.33 -12.94 O 18.29 -9.01 O 19.54 -12.51 O 21.96 -13.89 C:7002 19.54 -6.90 C:7001 19.54 -8.27 C:8001 20.76 -13.21 C:1 17.07 -11.11 C:3 15.87 -13.21 C:5 14.66 -11.11 C:4 14.66 -12.51 C:8 19.54 -11.11 C:8003 21.96 -15.28 C:7 18.29 -10.41 C:8002 20.76 -14.59 1 9 1 2 13 1 3 19 1 4 26 1 5 27 1 6 29 1 7 20 2 8 21 2 9 19 2 10 22 1 10 23 2 11 22 2 11 24 1 12 14 1 12 15 1 13 23 1 14 24 1 15 25 1 16 20 1 28 16 -1 17 21 1 26 17 -1 18 27 1 18 29 1 19 20 1 21 29 1 22 28 1 23 25 1 24 25 2 26 28 1 27 29 1', '29 31 C 21.96 -6.90 C 14.66 -15.28 C 18.29 -6.19 C 20.76 -10.41 C 21.96 -16.70 C 19.54 -15.28 O 20.76 -8.95 O 21.96 -12.51 C 20.76 -6.19 C 17.07 -12.51 C 15.87 -10.41 C 12.51 -11.81 O 15.87 -14.59 O 13.33 -10.68 O 13.33 -12.94 O 18.29 -9.01 O 19.54 -12.51 O 21.96 -13.89 C 19.54 -6.90 C 19.54 -8.27 C 20.76 -13.21 C 17.07 -11.11 C 15.87 -13.21 C 14.66 -11.11 C 14.66 -12.51 C 19.54 -11.11 C 21.96 -15.28 C 18.29 -10.41 C 20.76 -14.59 1 9 1 2 13 1 3 19 1 4 26 1 5 27 1 6 29 1 7 20 2 8 21 2 9 19 2 10 22 1 10 23 2 11 22 2 11 24 1 12 14 1 12 15 1 13 23 1 14 24 1 15 25 1 16 20 1 28 16 -1 17 21 1 26 17 -1 18 27 1 18 29 1 19 20 1 21 29 1 22 28 1 23 25 1 24 25 2 26 28 1 27 29 1', '29 31 C:16 21.96 -6.90 C:57 14.66 -15.28 C:21 18.29 -6.19 C:16 20.76 -10.41 C:13 21.96 -16.70 C:19 19.54 -15.28 O 20.76 -8.95 O 21.96 -12.51 C:140 20.76 -6.19 C:107 17.07 -12.51 C:101 15.87 -10.41 C:102 12.51 -11.81 O 15.87 -14.59 O 13.33 -10.68 O 13.33 -12.94 O 18.29 -9.01 O 19.54 -12.51 O 21.96 -13.89 C:128 19.54 -6.90 C:166 19.54 -8.27 C:169 20.76 -13.21 C:131 17.07 -11.11 C:149 15.87 -13.21 C:144 14.66 -11.11 C:136 14.66 -12.51 C:73 19.54 -11.11 C:60 21.96 -15.28 C:76 18.29 -10.41 C:60 20.76 -14.59 1 9 1 2 13 1 3 19 1 4 26 1 5 27 1 6 29 1 7 20 2 8 21 2 9 19 2 10 22 1 10 23 2 11 22 2 11 24 1 12 14 1 12 15 1 13 23 1 14 24 1 15 25 1 16 20 1 28 16 -1 17 21 1 26 17 -1 18 27 1 18 29 1 19 20 1 21 29 1 22 28 1 23 25 1 24 25 2 26 28 1 27 29 1', 'C21H26O8', 406.22, 'C', 'jf08_10252_8', 4194, '', '1''', '1', 1, NULL, NULL),
(16732, '', '6,8-O-ditigloyl-6β,8α,11-trihydroxygermacra-1(10)E,4E-diene', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:6004][CH:6003]=[C:6002]([CH3:6201])[C:6001](=O)O[C@H:6]1[CH:5]=[C:4]([CH3:15])[CH2:3][CH2:2][CH:1]=[C:10]([CH3:14])[CH2:9][C@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8004])[C@H:7]1[C:11]([CH3:13])([CH3:12])O', 'CC=C(C)C(=O)O[C@H]1C=C(C)CCC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]1C(C)(C)O', '[CH3:14][CH:137]=[C:129]([CH3:12])[C:167](=O)O[C@H:70]1[CH:130]=[C:135]([CH3:17])[CH2:39][CH2:25][CH:132]=[C:129]([CH3:21])[CH2:41][C@H:75](O[C:166](=O)[C:128]([CH3:12])=[CH:138][CH3:15])[C@H:53]1[C:73]([CH3:30])([CH3:29])O', '30 30 C:6004 11.01 -15.84 C:8004 23.52 -9.10 C:14 15.99 -7.02 C:15 12.09 -11.53 C:6201 13.84 -15.39 C:8201 21.67 -11.20 C:13 18.70 -12.74 C:12 16.51 -13.89 O 12.40 -12.34 O 19.41 -8.23 O 17.91 -14.00 C:6003 11.53 -14.54 C:8003 22.14 -8.82 C:1 14.78 -9.03 C:5 14.41 -10.41 C:2 13.56 -8.23 C:3 12.40 -9.10 C:9 17.31 -9.03 O 14.78 -12.80 O 18.92 -10.66 C:10 15.99 -8.41 C:4 12.91 -10.41 C:6002 12.91 -14.34 C:8002 21.22 -9.88 C:6001 13.40 -13.13 C:8001 19.85 -9.61 C:6 15.29 -11.53 C:8 17.57 -10.41 C:7 16.69 -11.53 C:11 17.31 -12.74 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C 11.01 -15.84 C 23.52 -9.10 C 15.99 -7.02 C 12.09 -11.53 C 13.84 -15.39 C 21.67 -11.20 C 18.70 -12.74 C 16.51 -13.89 O 12.40 -12.34 O 19.41 -8.23 O 17.91 -14.00 C 11.53 -14.54 C 22.14 -8.82 C 14.78 -9.03 C 14.41 -10.41 C 13.56 -8.23 C 12.40 -9.10 C 17.31 -9.03 O 14.78 -12.80 O 18.92 -10.66 C 15.99 -8.41 C 12.91 -10.41 C 12.91 -14.34 C 21.22 -9.88 C 13.40 -13.13 C 19.85 -9.61 C 15.29 -11.53 C 17.57 -10.41 C 16.69 -11.53 C 17.31 -12.74 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C:14 11.01 -15.84 C:15 23.52 -9.10 C:21 15.99 -7.02 C:17 12.09 -11.53 C:12 13.84 -15.39 C:12 21.67 -11.20 C:30 18.70 -12.74 C:29 16.51 -13.89 O 12.40 -12.34 O 19.41 -8.23 O 17.91 -14.00 C:137 11.53 -14.54 C:138 22.14 -8.82 C:132 14.78 -9.03 C:130 14.41 -10.41 C:25 13.56 -8.23 C:39 12.40 -9.10 C:41 17.31 -9.03 O 14.78 -12.80 O 18.92 -10.66 C:129 15.99 -8.41 C:135 12.91 -10.41 C:129 12.91 -14.34 C:128 21.22 -9.88 C:167 13.40 -13.13 C:166 19.85 -9.61 C:70 15.29 -11.53 C:75 17.57 -10.41 C:53 16.69 -11.53 C:73 17.31 -12.74 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', 'C25H38O5', 418.264, 'C', 'jf08_10252_9', 4194, '', '', '1', 1, NULL, NULL),
(16733, '', '6-O-angeloyl-8-O-tigloyl-6β,8α,11-trihydroxygermacra-1(10)E,4E-diene', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:6004][CH:6003]=[C:6002]([CH3:6201])[C:6001](=O)O[C@H:6]1[CH:5]=[C:4]([CH3:15])[CH2:3][CH2:2][CH:1]=[C:10]([CH3:14])[CH2:9][C@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8004])[C@H:7]1[C:11]([CH3:12])([CH3:13])O', 'CC=C(C)C(=O)O[C@H]1C=C(C)CCC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]1C(C)(C)O', '[CH3:16][CH:140]=[C:127]([CH3:20])[C:167](=O)O[C@H:70]1[CH:130]=[C:135]([CH3:17])[CH2:39][CH2:25][CH:132]=[C:130]([CH3:20])[CH2:41][C@H:75](O[C:166](=O)[C:128]([CH3:12])=[CH:138][CH3:15])[C@H:53]1[C:73]([CH3:29])([CH3:30])O', '30 30 C:6004 10.84 -13.66 C:8004 23.69 -9.32 C:14 16.16 -7.24 C:15 12.26 -11.75 C:6201 14.01 -15.62 C:8201 21.84 -11.42 C:12 16.68 -14.11 C:13 18.87 -12.96 O 12.57 -12.56 O 19.58 -8.45 O 18.08 -14.22 C:6003 11.70 -14.76 C:8003 22.31 -9.04 C:1 14.95 -9.25 C:5 14.58 -10.63 C:2 13.73 -8.45 C:3 12.57 -9.32 C:9 17.48 -9.25 O 14.95 -13.02 O 19.09 -10.88 C:10 16.16 -8.63 C:4 13.08 -10.63 C:6002 13.08 -14.56 C:8002 21.39 -10.10 C:6001 13.57 -13.35 C:8001 20.02 -9.83 C:6 15.46 -11.75 C:8 17.74 -10.63 C:7 16.86 -11.75 C:11 17.48 -12.96 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C 10.84 -13.66 C 23.69 -9.32 C 16.16 -7.24 C 12.26 -11.75 C 14.01 -15.62 C 21.84 -11.42 C 16.68 -14.11 C 18.87 -12.96 O 12.57 -12.56 O 19.58 -8.45 O 18.08 -14.22 C 11.70 -14.76 C 22.31 -9.04 C 14.95 -9.25 C 14.58 -10.63 C 13.73 -8.45 C 12.57 -9.32 C 17.48 -9.25 O 14.95 -13.02 O 19.09 -10.88 C 16.16 -8.63 C 13.08 -10.63 C 13.08 -14.56 C 21.39 -10.10 C 13.57 -13.35 C 20.02 -9.83 C 15.46 -11.75 C 17.74 -10.63 C 16.86 -11.75 C 17.48 -12.96 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C:16 10.84 -13.66 C:15 23.69 -9.32 C:20 16.16 -7.24 C:17 12.26 -11.75 C:20 14.01 -15.62 C:12 21.84 -11.42 C:29 16.68 -14.11 C:30 18.87 -12.96 O 12.57 -12.56 O 19.58 -8.45 O 18.08 -14.22 C:140 11.70 -14.76 C:138 22.31 -9.04 C:132 14.95 -9.25 C:130 14.58 -10.63 C:25 13.73 -8.45 C:39 12.57 -9.32 C:41 17.48 -9.25 O 14.95 -13.02 O 19.09 -10.88 C:130 16.16 -8.63 C:135 13.08 -10.63 C:127 13.08 -14.56 C:128 21.39 -10.10 C:167 13.57 -13.35 C:166 20.02 -9.83 C:70 15.46 -11.75 C:75 17.74 -10.63 C:53 16.86 -11.75 C:73 17.48 -12.96 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', 'C25H38O5', 418.264, 'C+C', 'jf08_10252_10', 4194, '', '', '1', 1, NULL, NULL),
(16734, '', '6-O-tigloyl-8-O-angeloyl- 6β,8α,11-trihydroxygermacra-1(10)E,4E-diene', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:6004][CH:6003]=[C:6002]([CH3:6201])[C:6001](=O)O[C@H:6]1[CH:5]=[C:4]([CH3:15])[CH2:3][CH2:2][CH:1]=[C:10]([CH3:14])[CH2:9][C@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8004])[C@H:7]1[C:11]([CH3:13])([CH3:12])O', 'CC=C(C)C(=O)O[C@H]1C=C(C)CCC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]1C(C)(C)O', '[CH3:14][CH:137]=[C:129]([CH3:12])[C:167](=O)O[C@H:70]1[CH:130]=[C:135]([CH3:17])[CH2:39][CH2:25][CH:132]=[C:129]([CH3:21])[CH2:41][C@H:75](O[C:166](=O)[C:127]([CH3:21])=[CH:140][CH3:16])[C@H:53]1[C:73]([CH3:30])([CH3:29])O', '30 30 C:6004 11.68 -15.83 C:8004 22.34 -7.49 C:14 16.66 -7.01 C:15 12.76 -11.52 C:6201 14.51 -15.39 C:8201 22.34 -11.19 C:13 19.37 -12.73 C:12 17.18 -13.88 O 13.07 -12.33 O 20.08 -8.22 O 18.58 -13.99 C:6003 12.20 -14.53 C:8003 22.81 -8.81 C:1 15.45 -9.02 C:5 15.08 -10.40 C:2 14.23 -8.22 C:3 13.07 -9.09 C:9 17.98 -9.02 O 15.45 -12.79 O 19.59 -10.65 C:10 16.66 -8.40 C:4 13.58 -10.40 C:6002 13.58 -14.33 C:8002 21.89 -9.87 C:6001 14.07 -13.12 C:8001 20.52 -9.60 C:6 15.96 -11.52 C:8 18.24 -10.40 C:7 17.36 -11.52 C:11 17.98 -12.73 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C 11.68 -15.83 C 22.34 -7.49 C 16.66 -7.01 C 12.76 -11.52 C 14.51 -15.39 C 22.34 -11.19 C 19.37 -12.73 C 17.18 -13.88 O 13.07 -12.33 O 20.08 -8.22 O 18.58 -13.99 C 12.20 -14.53 C 22.81 -8.81 C 15.45 -9.02 C 15.08 -10.40 C 14.23 -8.22 C 13.07 -9.09 C 17.98 -9.02 O 15.45 -12.79 O 19.59 -10.65 C 16.66 -8.40 C 13.58 -10.40 C 13.58 -14.33 C 21.89 -9.87 C 14.07 -13.12 C 20.52 -9.60 C 15.96 -11.52 C 18.24 -10.40 C 17.36 -11.52 C 17.98 -12.73 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C:14 11.68 -15.83 C:16 22.34 -7.49 C:21 16.66 -7.01 C:17 12.76 -11.52 C:12 14.51 -15.39 C:21 22.34 -11.19 C:30 19.37 -12.73 C:29 17.18 -13.88 O 13.07 -12.33 O 20.08 -8.22 O 18.58 -13.99 C:137 12.20 -14.53 C:140 22.81 -8.81 C:132 15.45 -9.02 C:130 15.08 -10.40 C:25 14.23 -8.22 C:39 13.07 -9.09 C:41 17.98 -9.02 O 15.45 -12.79 O 19.59 -10.65 C:129 16.66 -8.40 C:135 13.58 -10.40 C:129 13.58 -14.33 C:127 21.89 -9.87 C:167 14.07 -13.12 C:166 20.52 -9.60 C:70 15.96 -11.52 C:75 18.24 -10.40 C:53 17.36 -11.52 C:73 17.98 -12.73 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', 'C25H38O5', 418.264, 'C+C+C', 'jf08_10252_11', 4194, '', '', '1', 1, NULL, NULL),
(16735, '', '6,8-O-diangeloyl-6β,8α,11-trihydroxygermacra-1(10)E,4E-diene', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:6004][CH:6003]=[C:6002]([CH3:6201])[C:6001](=O)O[C@H:6]1[CH:5]=[C:4]([CH3:15])[CH2:3][CH2:2][CH:1]=[C:10]([CH3:14])[CH2:9][C@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8004])[C@H:7]1[C:11]([CH3:12])([CH3:13])O', 'CC=C(C)C(=O)O[C@H]1C=C(C)CCC=C(C)C[C@H](OC(=O)C(C)=CC)[C@H]1C(C)(C)O', '[CH3:16][CH:139]=[C:127]([CH3:20])[C:167](=O)O[C@H:70]1[CH:130]=[C:135]([CH3:17])[CH2:39][CH2:25][CH:132]=[C:129]([CH3:21])[CH2:41][C@H:75](O[C:166](=O)[C:127]([CH3:9999])=[CH:140][CH3:16])[C@H:53]1[C:73]([CH3:29])([CH3:30])O', '30 30 C:6004 11.51 -13.65 C:8004 22.51 -7.71 C:14 16.83 -7.23 C:15 12.93 -11.74 C:6201 14.68 -15.61 C:8201 22.51 -11.41 C:12 17.35 -14.10 C:13 19.54 -12.95 O 13.24 -12.55 O 20.25 -8.44 O 18.75 -14.21 C:6003 12.37 -14.75 C:8003 22.98 -9.03 C:1 15.62 -9.24 C:5 15.25 -10.62 C:2 14.40 -8.44 C:3 13.24 -9.31 C:9 18.15 -9.24 O 15.62 -13.01 O 19.76 -10.87 C:10 16.83 -8.62 C:4 13.75 -10.62 C:6002 13.75 -14.55 C:8002 22.06 -10.09 C:6001 14.24 -13.34 C:8001 20.69 -9.82 C:6 16.13 -11.74 C:8 18.41 -10.62 C:7 17.53 -11.74 C:11 18.15 -12.95 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C 11.51 -13.65 C 22.51 -7.71 C 16.83 -7.23 C 12.93 -11.74 C 14.68 -15.61 C 22.51 -11.41 C 17.35 -14.10 C 19.54 -12.95 O 13.24 -12.55 O 20.25 -8.44 O 18.75 -14.21 C 12.37 -14.75 C 22.98 -9.03 C 15.62 -9.24 C 15.25 -10.62 C 14.40 -8.44 C 13.24 -9.31 C 18.15 -9.24 O 15.62 -13.01 O 19.76 -10.87 C 16.83 -8.62 C 13.75 -10.62 C 13.75 -14.55 C 22.06 -10.09 C 14.24 -13.34 C 20.69 -9.82 C 16.13 -11.74 C 18.41 -10.62 C 17.53 -11.74 C 18.15 -12.95 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', '30 30 C:16 11.51 -13.65 C:16 22.51 -7.71 C:21 16.83 -7.23 C:17 12.93 -11.74 C:20 14.68 -15.61 C 22.51 -11.41 C:29 17.35 -14.10 C:30 19.54 -12.95 O 13.24 -12.55 O 20.25 -8.44 O 18.75 -14.21 C:139 12.37 -14.75 C:140 22.98 -9.03 C:132 15.62 -9.24 C:130 15.25 -10.62 C:25 14.40 -8.44 C:39 13.24 -9.31 C:41 18.15 -9.24 O 15.62 -13.01 O 19.76 -10.87 C:129 16.83 -8.62 C:135 13.75 -10.62 C:127 13.75 -14.55 C:127 22.06 -10.09 C:167 14.24 -13.34 C:166 20.69 -9.82 C:70 16.13 -11.74 C:75 18.41 -10.62 C:53 17.53 -11.74 C:73 18.15 -12.95 1 12 1 2 13 1 3 21 1 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 25 2 10 26 2 11 30 1 12 23 2 13 24 2 14 16 1 14 21 2 15 22 2 15 27 1 16 17 1 17 22 1 18 21 1 18 28 1 19 25 1 27 19 -1 20 26 1 28 20 -2 23 25 1 24 26 1 27 29 1 28 29 1 29 30 -1', 'C25H38O5', 418.264, 'C+C+C+C', 'jf08_10252_12', 4194, '', '', '1', 1, NULL, NULL),
(16736, '8-O-angeloyl-tovarol', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:8004][CH:8003]=[C:8002]([CH3:8201])[C:8001](=O)O[C@H:8]1[CH2:9][C:10]([CH3:14])=[CH:1][CH2:2][CH2:3][C:4]([CH3:15])=[CH:5][C@H:6](O)[C@@H:7]1[CH:11]([CH3:13])[CH3:12]', 'CC=C(C)C(=O)O[C@H]1CC(C)=CCCC(C)=C[C@H](O)[C@@H]1C(C)C', '[CH3:16][CH:140]=[C:127]([CH3:20])[C:169](=O)O[C@H:74]1[CH2:42][C:129]([CH3:21])=[CH:132][CH2:25][CH2:39][C:133]([CH3:16])=[CH:133][C@H:67](O)[C@@H:54]1[CH:26]([CH3:23])[CH3:21]', '23 23 C:8004 21.75 -8.51 C:14 16.11 -8.03 C:15 12.23 -12.51 C:8201 21.75 -12.18 C:13 18.80 -13.71 C:12 16.63 -14.86 O 19.51 -9.23 O 14.91 -13.77 C:8003 22.22 -9.82 C:1 14.91 -10.03 C:5 14.54 -11.40 C:2 13.69 -9.23 C:3 12.54 -10.10 C:9 17.42 -10.03 O 19.02 -11.65 C:10 16.11 -9.41 C:4 13.05 -11.40 C:8002 21.31 -10.87 C:8001 19.94 -10.60 C:11 17.42 -13.71 C:6 15.41 -12.51 C:8 17.68 -11.40 C:7 16.80 -12.51 1 9 1 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 19 2 21 8 -1 9 18 2 10 12 1 10 16 2 11 17 2 11 21 1 12 13 1 13 17 1 14 16 1 14 22 1 15 19 1 22 15 -2 18 19 1 23 20 -1 21 23 1 22 23 1', '23 23 C 21.75 -8.51 C 16.11 -8.03 C 12.23 -12.51 C 21.75 -12.18 C 18.80 -13.71 C 16.63 -14.86 O 19.51 -9.23 O 14.91 -13.77 C 22.22 -9.82 C 14.91 -10.03 C 14.54 -11.40 C 13.69 -9.23 C 12.54 -10.10 C 17.42 -10.03 O 19.02 -11.65 C 16.11 -9.41 C 13.05 -11.40 C 21.31 -10.87 C 19.94 -10.60 C 17.42 -13.71 C 15.41 -12.51 C 17.68 -11.40 C 16.80 -12.51 1 9 1 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 19 2 21 8 -1 9 18 2 10 12 1 10 16 2 11 17 2 11 21 1 12 13 1 13 17 1 14 16 1 14 22 1 15 19 1 22 15 -2 18 19 1 23 20 -1 21 23 1 22 23 1', '23 23 C:16 21.75 -8.51 C:21 16.11 -8.03 C:16 12.23 -12.51 C:20 21.75 -12.18 C:23 18.80 -13.71 C:21 16.63 -14.86 O 19.51 -9.23 O 14.91 -13.77 C:140 22.22 -9.82 C:132 14.91 -10.03 C:133 14.54 -11.40 C:25 13.69 -9.23 C:39 12.54 -10.10 C:42 17.42 -10.03 O 19.02 -11.65 C:129 16.11 -9.41 C:133 13.05 -11.40 C:127 21.31 -10.87 C:169 19.94 -10.60 C:26 17.42 -13.71 C:67 15.41 -12.51 C:74 17.68 -11.40 C:54 16.80 -12.51 1 9 1 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 19 2 21 8 -1 9 18 2 10 12 1 10 16 2 11 17 2 11 21 1 12 13 1 13 17 1 14 16 1 14 22 1 15 19 1 22 15 -2 18 19 1 23 20 -1 21 23 1 22 23 1', 'C20H32O3', 320.212, 'C', 'jf08_10252_13', 4194, '', '', '1', 1, NULL, NULL),
(16737, 'Laserine', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', '[CH3:8004][CH:8003]=[C:8002]([CH3:8201])[C:8001](=O)O[C@H:8]([CH3:9])[C@H:7](O[C:7001](=O)[C:7002]([CH3:7201])=[CH:7003][CH3:7004])[c:1]2[cH:2][c:3](O[CH3:3001])[c:4]1O[CH2:4001]O[c:5]1[cH:6]2', 'CC=C(C)C(=O)O[C@H](C)[C@H](OC(=O)C(C)=CC)c2cc(OC)c1OCOc1c2', '[CH3:16][CH:138]=[C:128]([CH3:20])[C:167](=O)O[C@H:71]([CH3:17])[C@H:77](O[C:166](=O)[C:128]([CH3:20])=[CH:139][CH3:16])[c:132]2[cH:108][c:144](O[CH3:56])[c:149]1O[CH2:102]O[c:135]1[cH:102]2', '28 29 C:8004 22.55 -15.27 C:7004 21.35 -7.57 C:3001 14.05 -15.96 C:8201 18.93 -15.96 C:7201 17.68 -6.86 C:9 20.15 -11.09 O 21.35 -13.19 O 20.15 -9.62 C:8003 21.35 -15.96 C:7003 20.15 -6.86 C:2 16.46 -13.19 C:6 15.26 -11.09 C:4001 11.90 -12.49 O 15.26 -15.27 O 12.72 -11.36 O 12.72 -13.62 O 18.93 -13.19 O 17.68 -9.68 C:8002 20.15 -15.27 C:7002 18.93 -7.57 C:8001 20.15 -13.89 C:7001 18.93 -8.94 C:1 16.46 -11.79 C:3 15.26 -13.89 C:5 14.05 -11.79 C:4 14.05 -13.19 C:8 18.93 -11.79 C:7 17.68 -11.09 1 9 1 2 10 1 3 14 1 4 19 1 5 20 1 6 27 1 7 21 2 8 22 2 9 19 2 10 20 2 11 23 1 11 24 2 12 23 2 12 25 1 13 15 1 13 16 1 14 24 1 15 25 1 16 26 1 17 21 1 27 17 -1 18 22 1 28 18 -1 19 21 1 20 22 1 23 28 1 24 26 1 25 26 2 27 28 1', '28 29 C 22.55 -15.27 C 21.35 -7.57 C 14.05 -15.96 C 18.93 -15.96 C 17.68 -6.86 C 20.15 -11.09 O 21.35 -13.19 O 20.15 -9.62 C 21.35 -15.96 C 20.15 -6.86 C 16.46 -13.19 C 15.26 -11.09 C 11.90 -12.49 O 15.26 -15.27 O 12.72 -11.36 O 12.72 -13.62 O 18.93 -13.19 O 17.68 -9.68 C 20.15 -15.27 C 18.93 -7.57 C 20.15 -13.89 C 18.93 -8.94 C 16.46 -11.79 C 15.26 -13.89 C 14.05 -11.79 C 14.05 -13.19 C 18.93 -11.79 C 17.68 -11.09 1 9 1 2 10 1 3 14 1 4 19 1 5 20 1 6 27 1 7 21 2 8 22 2 9 19 2 10 20 2 11 23 1 11 24 2 12 23 2 12 25 1 13 15 1 13 16 1 14 24 1 15 25 1 16 26 1 17 21 1 27 17 -1 18 22 1 28 18 -1 19 21 1 20 22 1 23 28 1 24 26 1 25 26 2 27 28 1', '28 29 C:16 22.55 -15.27 C:16 21.35 -7.57 C:56 14.05 -15.96 C:20 18.93 -15.96 C:20 17.68 -6.86 C:17 20.15 -11.09 O 21.35 -13.19 O 20.15 -9.62 C:138 21.35 -15.96 C:139 20.15 -6.86 C:108 16.46 -13.19 C:102 15.26 -11.09 C:102 11.90 -12.49 O 15.26 -15.27 O 12.72 -11.36 O 12.72 -13.62 O 18.93 -13.19 O 17.68 -9.68 C:128 20.15 -15.27 C:128 18.93 -7.57 C:167 20.15 -13.89 C:166 18.93 -8.94 C:132 16.46 -11.79 C:144 15.26 -13.89 C:135 14.05 -11.79 C:149 14.05 -13.19 C:71 18.93 -11.79 C:77 17.68 -11.09 1 9 1 2 10 1 3 14 1 4 19 1 5 20 1 6 27 1 7 21 2 8 22 2 9 19 2 10 20 2 11 23 1 11 24 2 12 23 2 12 25 1 13 15 1 13 16 1 14 24 1 15 25 1 16 26 1 17 21 1 27 17 -1 18 22 1 28 18 -1 19 21 1 20 22 1 23 28 1 24 26 1 25 26 2 27 28 1', 'C21H26O7', 390.22, 'P', 'jf08_10252_14', 4194, '', '1''', '1', 1, NULL, NULL),
(16738, '2-Epilaserine', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', '[CH3:8004][CH:8003]=[C:8002]([CH3:8201])[C:8001](=O)O[C@H:8]([CH3:9])[C@@H:7](O[C:7001](=O)[C:7002]([CH3:7201])=[CH:7003][CH3:7004])[c:1]2[cH:2][c:3](O[CH3:3001])[c:4]1O[CH2:4001]O[c:5]1[cH:6]2', 'CC=C(C)C(=O)O[C@H](C)[C@@H](OC(=O)C(C)=CC)c2cc(OC)c1OCOc1c2', '[CH3:16][CH:138]=[C:128]([CH3:20])[C:167](=O)O[C@H:72]([CH3:15])[C@@H:76](O[C:166](=O)[C:128]([CH3:20])=[CH:139][CH3:16])[c:132]2[cH:108][c:144](O[CH3:56])[c:149]1O[CH2:102]O[c:135]1[cH:101]2', '28 29 C:8004 22.55 -15.27 C:7004 21.35 -7.57 C:3001 14.05 -15.96 C:8201 18.93 -15.96 C:7201 17.68 -6.86 C:9 20.15 -11.09 O 21.35 -13.19 O 20.15 -9.62 C:8003 21.35 -15.96 C:7003 20.15 -6.86 C:2 16.46 -13.19 C:6 15.26 -11.09 C:4001 11.90 -12.49 O 15.26 -15.27 O 12.72 -11.36 O 12.72 -13.62 O 18.93 -13.19 O 17.68 -9.68 C:8002 20.15 -15.27 C:7002 18.93 -7.57 C:8001 20.15 -13.89 C:7001 18.93 -8.94 C:1 16.46 -11.79 C:3 15.26 -13.89 C:5 14.05 -11.79 C:4 14.05 -13.19 C:8 18.93 -11.79 C:7 17.68 -11.09 1 9 1 2 10 1 3 14 1 4 19 1 5 20 1 6 27 1 7 21 2 8 22 2 9 19 2 10 20 2 11 23 1 11 24 2 12 23 2 12 25 1 13 15 1 13 16 1 14 24 1 15 25 1 16 26 1 17 21 1 27 17 -1 18 22 1 28 18 -2 19 21 1 20 22 1 23 28 1 24 26 1 25 26 2 27 28 1', '28 29 C 22.55 -15.27 C 21.35 -7.57 C 14.05 -15.96 C 18.93 -15.96 C 17.68 -6.86 C 20.15 -11.09 O 21.35 -13.19 O 20.15 -9.62 C 21.35 -15.96 C 20.15 -6.86 C 16.46 -13.19 C 15.26 -11.09 C 11.90 -12.49 O 15.26 -15.27 O 12.72 -11.36 O 12.72 -13.62 O 18.93 -13.19 O 17.68 -9.68 C 20.15 -15.27 C 18.93 -7.57 C 20.15 -13.89 C 18.93 -8.94 C 16.46 -11.79 C 15.26 -13.89 C 14.05 -11.79 C 14.05 -13.19 C 18.93 -11.79 C 17.68 -11.09 1 9 1 2 10 1 3 14 1 4 19 1 5 20 1 6 27 1 7 21 2 8 22 2 9 19 2 10 20 2 11 23 1 11 24 2 12 23 2 12 25 1 13 15 1 13 16 1 14 24 1 15 25 1 16 26 1 17 21 1 27 17 -1 18 22 1 28 18 -2 19 21 1 20 22 1 23 28 1 24 26 1 25 26 2 27 28 1', '28 29 C:16 22.55 -15.27 C:16 21.35 -7.57 C:56 14.05 -15.96 C:20 18.93 -15.96 C:20 17.68 -6.86 C:15 20.15 -11.09 O 21.35 -13.19 O 20.15 -9.62 C:138 21.35 -15.96 C:139 20.15 -6.86 C:108 16.46 -13.19 C:101 15.26 -11.09 C:102 11.90 -12.49 O 15.26 -15.27 O 12.72 -11.36 O 12.72 -13.62 O 18.93 -13.19 O 17.68 -9.68 C:128 20.15 -15.27 C:128 18.93 -7.57 C:167 20.15 -13.89 C:166 18.93 -8.94 C:132 16.46 -11.79 C:144 15.26 -13.89 C:135 14.05 -11.79 C:149 14.05 -13.19 C:72 18.93 -11.79 C:76 17.68 -11.09 1 9 1 2 10 1 3 14 1 4 19 1 5 20 1 6 27 1 7 21 2 8 22 2 9 19 2 10 20 2 11 23 1 11 24 2 12 23 2 12 25 1 13 15 1 13 16 1 14 24 1 15 25 1 16 26 1 17 21 1 27 17 -1 18 22 1 28 18 -2 19 21 1 20 22 1 23 28 1 24 26 1 25 26 2 27 28 1', 'C21H26O7', 390.22, 'P', 'jf08_10252_15', 4194, '', '1''', '1', 1, NULL, NULL),
(16739, 'α-Angeloyloxy-latifolone', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylpropanoids', '[CH3:8004][CH:8003]=[C:8002]([CH3:8201])[C:8001](=O)O[CH:8]([CH3:9])[C:7](=O)[c:1]2[cH:2][c:3](O[CH3:3001])[c:4]1O[CH2:4001]O[c:5]1[cH:6]2', 'CC=C(C)C(=O)OC(C)C(=O)c2cc(OC)c1OCOc1c2', '[CH3:16][CH:139]=[C:127]([CH3:20])[C:167](=O)O[CH:71]([CH3:17])[C:195](=O)[c:140]2[cH:109][c:144](O[CH3:57])[c:140]1O[CH2:103]O[c:149]1[cH:103]2', '22 23 C:8004 22.59 -13.90 C:3001 14.08 -14.59 C:8201 18.97 -14.59 C:9 20.19 -9.71 O 21.39 -11.82 O 17.71 -8.30 C:8003 21.39 -14.59 C:2 16.49 -11.82 C:6 15.29 -9.71 C:4001 11.92 -11.11 O 15.29 -13.90 O 12.75 -9.98 O 12.75 -12.25 O 18.97 -11.82 C:8002 20.19 -13.90 C:8001 20.19 -12.52 C:7 17.71 -9.71 C:1 16.49 -10.41 C:3 15.29 -12.52 C:5 14.08 -10.41 C:4 14.08 -11.82 C:8 18.97 -10.41 1 7 1 2 11 1 3 15 1 4 22 1 5 16 2 6 17 2 7 15 2 8 18 1 8 19 2 9 18 2 9 20 1 10 12 1 10 13 1 11 19 1 12 20 1 13 21 1 14 16 1 14 22 1 15 16 1 17 18 1 17 22 1 19 21 1 20 21 2', '22 23 C 22.59 -13.90 C 14.08 -14.59 C 18.97 -14.59 C 20.19 -9.71 O 21.39 -11.82 O 17.71 -8.30 C 21.39 -14.59 C 16.49 -11.82 C 15.29 -9.71 C 11.92 -11.11 O 15.29 -13.90 O 12.75 -9.98 O 12.75 -12.25 O 18.97 -11.82 C 20.19 -13.90 C 20.19 -12.52 C 17.71 -9.71 C 16.49 -10.41 C 15.29 -12.52 C 14.08 -10.41 C 14.08 -11.82 C 18.97 -10.41 1 7 1 2 11 1 3 15 1 4 22 1 5 16 2 6 17 2 7 15 2 8 18 1 8 19 2 9 18 2 9 20 1 10 12 1 10 13 1 11 19 1 12 20 1 13 21 1 14 16 1 14 22 1 15 16 1 17 18 1 17 22 1 19 21 1 20 21 2', '22 23 C:16 22.59 -13.90 C:57 14.08 -14.59 C:20 18.97 -14.59 C:17 20.19 -9.71 O 21.39 -11.82 O 17.71 -8.30 C:139 21.39 -14.59 C:109 16.49 -11.82 C:103 15.29 -9.71 C:103 11.92 -11.11 O 15.29 -13.90 O 12.75 -9.98 O 12.75 -12.25 O 18.97 -11.82 C:127 20.19 -13.90 C:167 20.19 -12.52 C:195 17.71 -9.71 C:140 16.49 -10.41 C:144 15.29 -12.52 C:149 14.08 -10.41 C:140 14.08 -11.82 C:71 18.97 -10.41 1 7 1 2 11 1 3 15 1 4 22 1 5 16 2 6 17 2 7 15 2 8 18 1 8 19 2 9 18 2 9 20 1 10 12 1 10 13 1 11 19 1 12 20 1 13 21 1 14 16 1 14 22 1 15 16 1 17 18 1 17 22 1 19 21 1 20 21 2', 'C16H18O6', 306.168, 'C', 'jf08_10252_16', 4194, '', '1''', '1', 1, NULL, NULL),
(16740, '10-Hydroxylancerodiol-6-anisate', '', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]23[C@@H:6](O[C:107](=O)[c:101]1[cH:106][cH:105][c:104](O[CH3:104001])[cH:103][cH:102]1)[CH:7]=[C:8]([CH3:14])[C:9](=O)[C@H:10](O)[C@@:1]2([CH3:15])[CH2:2][CH2:3][C@@:4]3(O)[CH:11]([CH3:13])[CH3:12]', '[H][C@@]23[C@@H](OC(=O)c1ccc(OC)cc1)C=C(C)C(=O)[C@H](O)[C@@]2(C)CC[C@@]3(O)C(C)C', '[H][C@@:54]23[C@@H:72](O[C:166](=O)[c:122]1[cH:132][cH:114][c:164](O[CH3:56])[cH:114][cH:132]1)[CH:141]=[C:132]([CH3:22])[C:202](=O)[C@H:85](O)[C@@:49]2([CH3:14])[CH2:38][CH2:32][C@@:87]3(O)[CH:37]([CH3:18])[CH3:13]', '30 32 H 16.74 -9.77 C:104001 13.61 -17.26 C:14 21.55 -9.55 C:13 14.16 -11.08 C:12 12.94 -8.98 C:15 17.50 -6.12 O 19.22 -12.43 O 21.18 -6.94 O 18.98 -5.63 O 15.62 -10.30 C:7 19.22 -10.13 C:105 15.01 -14.84 C:103 17.11 -16.06 C:106 15.71 -13.64 C:102 17.82 -14.84 C:2 16.37 -6.70 C:3 15.24 -7.52 O 15.01 -17.26 O 17.11 -11.21 C:8 20.23 -9.13 C:107 17.82 -12.43 C:9 20.04 -7.73 C:104 15.71 -16.06 C:101 17.11 -13.64 C:11 14.16 -9.68 C:10 18.83 -7.02 C:6 17.82 -10.00 C:1 17.50 -7.52 C:5 17.11 -8.83 C:4 15.62 -8.83 29 1 -2 2 18 1 3 20 1 4 25 1 5 25 1 28 6 -1 7 21 2 8 22 2 26 9 -1 30 10 -1 11 20 2 11 27 1 12 14 2 12 23 1 13 15 1 13 23 2 14 24 1 15 24 2 16 17 1 16 28 1 17 30 1 18 23 1 19 21 1 27 19 -2 20 22 1 21 24 1 22 26 1 30 25 -2 26 28 1 27 29 1 28 29 1 29 30 1', '30 32 H 16.74 -9.77 C 13.61 -17.26 C 21.55 -9.55 C 14.16 -11.08 C 12.94 -8.98 C 17.50 -6.12 O 19.22 -12.43 O 21.18 -6.94 O 18.98 -5.63 O 15.62 -10.30 C 19.22 -10.13 C 15.01 -14.84 C 17.11 -16.06 C 15.71 -13.64 C 17.82 -14.84 C 16.37 -6.70 C 15.24 -7.52 O 15.01 -17.26 O 17.11 -11.21 C 20.23 -9.13 C 17.82 -12.43 C 20.04 -7.73 C 15.71 -16.06 C 17.11 -13.64 C 14.16 -9.68 C 18.83 -7.02 C 17.82 -10.00 C 17.50 -7.52 C 17.11 -8.83 C 15.62 -8.83 29 1 -2 2 18 1 3 20 1 4 25 1 5 25 1 28 6 -1 7 21 2 8 22 2 26 9 -1 30 10 -1 11 20 2 11 27 1 12 14 2 12 23 1 13 15 1 13 23 2 14 24 1 15 24 2 16 17 1 16 28 1 17 30 1 18 23 1 19 21 1 27 19 -2 20 22 1 21 24 1 22 26 1 30 25 -2 26 28 1 27 29 1 28 29 1 29 30 1', '30 32 H 16.74 -9.77 C:56 13.61 -17.26 C:22 21.55 -9.55 C:18 14.16 -11.08 C:13 12.94 -8.98 C:14 17.50 -6.12 O 19.22 -12.43 O 21.18 -6.94 O 18.98 -5.63 O 15.62 -10.30 C:141 19.22 -10.13 C:114 15.01 -14.84 C:114 17.11 -16.06 C:132 15.71 -13.64 C:132 17.82 -14.84 C:38 16.37 -6.70 C:32 15.24 -7.52 O 15.01 -17.26 O 17.11 -11.21 C:132 20.23 -9.13 C:166 17.82 -12.43 C:202 20.04 -7.73 C:164 15.71 -16.06 C:122 17.11 -13.64 C:37 14.16 -9.68 C:85 18.83 -7.02 C:72 17.82 -10.00 C:49 17.50 -7.52 C:54 17.11 -8.83 C:87 15.62 -8.83 29 1 -2 2 18 1 3 20 1 4 25 1 5 25 1 28 6 -1 7 21 2 8 22 2 26 9 -1 30 10 -1 11 20 2 11 27 1 12 14 2 12 23 1 13 15 1 13 23 2 14 24 1 15 24 2 16 17 1 16 28 1 17 30 1 18 23 1 19 21 1 27 19 -2 20 22 1 21 24 1 22 26 1 30 25 -2 26 28 1 27 29 1 28 29 1 29 30 1', 'C23H30O6', 402.25, 'C', 'ph08_1933_1', 4195, '', '', '1', 1, NULL, NULL),
(16741, '10-Hydroxylancerodiol 6-benzoate', '', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]23[C@@H:6](O[C:107](=O)[c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:7]=[C:8]([CH3:14])[C:9](=O)[C@H:10](O)[C@@:1]2([CH3:15])[CH2:2][CH2:3][C@@:4]3(O)[CH:11]([CH3:12])[CH3:13]', '[H][C@@]23[C@@H](OC(=O)c1ccccc1)C=C(C)C(=O)[C@H](O)[C@@]2(C)CC[C@@]3(O)C(C)C', '[H][C@@:54]23[C@@H:72](O[C:166](=O)[c:130]1[cH:130][cH:129][cH:134][cH:129][cH:130]1)[CH:141]=[C:133]([CH3:22])[C:202](=O)[C@H:85](O)[C@@:49]2([CH3:14])[CH2:38][CH2:32][C@@:87]3(O)[CH:37]([CH3:17])[CH3:18]', '28 30 H 16.74 -10.33 C:14 21.54 -10.11 C:12 12.94 -9.54 C:13 14.16 -11.64 C:15 17.50 -6.68 O 19.21 -12.99 O 21.17 -7.50 O 18.97 -6.19 O 15.62 -10.86 C:7 19.21 -10.69 C:104 15.71 -16.62 C:103 17.11 -16.62 C:105 15.01 -15.40 C:102 17.82 -15.40 C:106 15.71 -14.20 C:2 16.37 -7.26 C:3 15.24 -8.08 O 17.11 -11.77 C:8 20.22 -9.69 C:107 17.82 -12.99 C:9 20.03 -8.29 C:101 17.11 -14.20 C:11 14.16 -10.24 C:10 18.82 -7.58 C:6 17.82 -10.56 C:1 17.50 -8.08 C:5 17.11 -9.39 C:4 15.62 -9.39 27 1 -2 2 19 1 3 23 1 4 23 1 26 5 -1 6 20 2 7 21 2 24 8 -1 28 9 -1 10 19 2 10 25 1 11 12 2 11 13 1 12 14 1 13 15 2 14 22 2 15 22 1 16 17 1 16 26 1 17 28 1 18 20 1 25 18 -2 19 21 1 20 22 1 21 24 1 28 23 -2 24 26 1 25 27 1 26 27 1 27 28 1', '28 30 H 16.74 -10.33 C 21.54 -10.11 C 12.94 -9.54 C 14.16 -11.64 C 17.50 -6.68 O 19.21 -12.99 O 21.17 -7.50 O 18.97 -6.19 O 15.62 -10.86 C 19.21 -10.69 C 15.71 -16.62 C 17.11 -16.62 C 15.01 -15.40 C 17.82 -15.40 C 15.71 -14.20 C 16.37 -7.26 C 15.24 -8.08 O 17.11 -11.77 C 20.22 -9.69 C 17.82 -12.99 C 20.03 -8.29 C 17.11 -14.20 C 14.16 -10.24 C 18.82 -7.58 C 17.82 -10.56 C 17.50 -8.08 C 17.11 -9.39 C 15.62 -9.39 27 1 -2 2 19 1 3 23 1 4 23 1 26 5 -1 6 20 2 7 21 2 24 8 -1 28 9 -1 10 19 2 10 25 1 11 12 2 11 13 1 12 14 1 13 15 2 14 22 2 15 22 1 16 17 1 16 26 1 17 28 1 18 20 1 25 18 -2 19 21 1 20 22 1 21 24 1 28 23 -2 24 26 1 25 27 1 26 27 1 27 28 1', '28 30 H 16.74 -10.33 C:22 21.54 -10.11 C:17 12.94 -9.54 C:18 14.16 -11.64 C:14 17.50 -6.68 O 19.21 -12.99 O 21.17 -7.50 O 18.97 -6.19 O 15.62 -10.86 C:141 19.21 -10.69 C:134 15.71 -16.62 C:129 17.11 -16.62 C:129 15.01 -15.40 C:130 17.82 -15.40 C:130 15.71 -14.20 C:38 16.37 -7.26 C:32 15.24 -8.08 O 17.11 -11.77 C:133 20.22 -9.69 C:166 17.82 -12.99 C:202 20.03 -8.29 C:130 17.11 -14.20 C:37 14.16 -10.24 C:85 18.82 -7.58 C:72 17.82 -10.56 C:49 17.50 -8.08 C:54 17.11 -9.39 C:87 15.62 -9.39 27 1 -2 2 19 1 3 23 1 4 23 1 26 5 -1 6 20 2 7 21 2 24 8 -1 28 9 -1 10 19 2 10 25 1 11 12 2 11 13 1 12 14 1 13 15 2 14 22 2 15 22 1 16 17 1 16 26 1 17 28 1 18 20 1 25 18 -2 19 21 1 20 22 1 21 24 1 28 23 -2 24 26 1 25 27 1 26 27 1 27 28 1', 'C22H28O5', 372.24, 'C', 'ph08_1933_2', 4195, '', '', '1', 1, NULL, NULL),
(16742, 'Vesceritenone', '', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]23[C@@H:6](O[C:107](=O)[c:101]1[cH:102][cH:103][c:104](O[CH3:104001])[cH:105][cH:106]1)[CH2:7][C@@:8]([CH3:14])(O)[CH2:9][C:10](=O)[C@@:1]2([CH3:15])[C@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@:4]3(O)[CH:11]([CH3:12])[CH3:13]', '[H][C@@]23[C@@H](OC(=O)c1ccc(OC)cc1)C[C@@](C)(O)CC(=O)[C@@]2(C)[C@H](OC(C)=O)C[C@@]3(O)C(C)C', '[H][C@@:48]23[C@@H:71](O[C:166](=O)[c:122]1[cH:132][cH:114][c:164](O[CH3:56])[cH:114][cH:132]1)[CH2:44][C@@:71]([CH3:33])(O)[CH2:58][C:212](=O)[C@@:59]2([CH3:18])[C@H:82](O[C:169]([CH3:21])=O)[CH2:41][C@@:84]3(O)[CH:36]([CH3:17])[CH3:18]', '34 36 H 16.69 -10.95 C:104001 13.56 -18.45 C:2002 15.11 -4.39 C:12 12.90 -10.16 C:13 14.12 -12.27 C:14 21.55 -10.01 C:15 17.46 -7.30 O 13.89 -6.48 O 19.16 -13.63 O 18.92 -6.81 O 21.11 -11.31 O 15.57 -11.48 C:103 17.06 -17.25 C:105 14.96 -16.03 C:102 17.78 -16.03 C:106 15.66 -14.83 C:9 19.98 -8.91 C:7 19.16 -11.31 C:3 15.20 -8.70 O 14.96 -18.45 O 16.32 -6.48 O 17.06 -12.40 C:2001 15.11 -5.78 C:107 17.78 -13.63 C:10 18.77 -8.20 C:104 15.66 -17.25 C:101 17.06 -14.83 C:11 14.12 -10.86 C:2 16.32 -7.88 C:6 17.78 -11.18 C:8 20.17 -10.31 C:1 17.46 -8.70 C:5 17.06 -10.01 C:4 15.57 -10.01 33 1 -2 2 20 1 3 23 1 4 28 1 5 28 1 31 6 -1 32 7 -1 8 23 2 9 24 2 10 25 2 31 11 -2 34 12 -1 13 15 1 13 26 2 14 16 2 14 26 1 15 27 2 16 27 1 17 25 1 17 31 1 18 30 1 18 31 1 19 29 1 19 34 1 20 26 1 21 23 1 29 21 -1 22 24 1 30 22 -2 24 27 1 25 32 1 34 28 -2 29 32 1 30 33 1 32 33 1 33 34 1', '34 36 H 16.69 -10.95 C 13.56 -18.45 C 15.11 -4.39 C 12.90 -10.16 C 14.12 -12.27 C 21.55 -10.01 C 17.46 -7.30 O 13.89 -6.48 O 19.16 -13.63 O 18.92 -6.81 O 21.11 -11.31 O 15.57 -11.48 C 17.06 -17.25 C 14.96 -16.03 C 17.78 -16.03 C 15.66 -14.83 C 19.98 -8.91 C 19.16 -11.31 C 15.20 -8.70 O 14.96 -18.45 O 16.32 -6.48 O 17.06 -12.40 C 15.11 -5.78 C 17.78 -13.63 C 18.77 -8.20 C 15.66 -17.25 C 17.06 -14.83 C 14.12 -10.86 C 16.32 -7.88 C 17.78 -11.18 C 20.17 -10.31 C 17.46 -8.70 C 17.06 -10.01 C 15.57 -10.01 33 1 -2 2 20 1 3 23 1 4 28 1 5 28 1 31 6 -1 32 7 -1 8 23 2 9 24 2 10 25 2 31 11 -2 34 12 -1 13 15 1 13 26 2 14 16 2 14 26 1 15 27 2 16 27 1 17 25 1 17 31 1 18 30 1 18 31 1 19 29 1 19 34 1 20 26 1 21 23 1 29 21 -1 22 24 1 30 22 -2 24 27 1 25 32 1 34 28 -2 29 32 1 30 33 1 32 33 1 33 34 1', '34 36 H 16.69 -10.95 C:56 13.56 -18.45 C:21 15.11 -4.39 C:17 12.90 -10.16 C:18 14.12 -12.27 C:33 21.55 -10.01 C:18 17.46 -7.30 O 13.89 -6.48 O 19.16 -13.63 O 18.92 -6.81 O 21.11 -11.31 O 15.57 -11.48 C:114 17.06 -17.25 C:114 14.96 -16.03 C:132 17.78 -16.03 C:132 15.66 -14.83 C:58 19.98 -8.91 C:44 19.16 -11.31 C:41 15.20 -8.70 O 14.96 -18.45 O 16.32 -6.48 O 17.06 -12.40 C:169 15.11 -5.78 C:166 17.78 -13.63 C:212 18.77 -8.20 C:164 15.66 -17.25 C:122 17.06 -14.83 C:36 14.12 -10.86 C:82 16.32 -7.88 C:71 17.78 -11.18 C:71 20.17 -10.31 C:59 17.46 -8.70 C:48 17.06 -10.01 C:84 15.57 -10.01 33 1 -2 2 20 1 3 23 1 4 28 1 5 28 1 31 6 -1 32 7 -1 8 23 2 9 24 2 10 25 2 31 11 -2 34 12 -1 13 15 1 13 26 2 14 16 2 14 26 1 15 27 2 16 27 1 17 25 1 17 31 1 18 30 1 18 31 1 19 29 1 19 34 1 20 26 1 21 23 1 29 21 -1 22 24 1 30 22 -2 24 27 1 25 32 1 34 28 -2 29 32 1 30 33 1 32 33 1 33 34 1', 'C25H34O8', 462.271, 'C', 'ph08_1933_3', 4195, '', '', '1', 1, NULL, NULL),
(16743, 'Epoxyvesceritenol', '', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]34[C@@H:6](O[C:107](=O)[c:101]1[cH:106][cH:105][c:104](O[CH3:104001])[cH:103][cH:102]1)[CH2:7][C@@:8]2([CH3:14])O[C@H:9]2[C@H:10](O)[C@@:1]3([CH3:15])[C@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@:4]4(O)[CH:11]([CH3:13])[CH3:12]', '[H][C@@]34[C@@H](OC(=O)c1ccc(OC)cc1)C[C@@]2(C)O[C@H]2[C@H](O)[C@@]3(C)[C@H](OC(C)=O)C[C@@]4(O)C(C)C', '[H][C@@:54]34[C@@H:69](O[C:166](=O)[c:122]1[cH:132][cH:114][c:164](O[CH3:56])[cH:114][cH:132]1)[CH2:44][C@@:55]2([CH3:23])O[C@H:67]2[C@H:75](O)[C@@:53]3([CH3:14])[C@H:80](O[C:171]([CH3:21])=O)[CH2:39][C@@:85]4(O)[CH:37]([CH3:18])[CH3:17]', '34 37 H 16.77 -10.99 C:104001 13.64 -18.47 C:2002 15.19 -4.42 C:13 14.19 -12.29 C:12 12.97 -10.20 C:14 21.58 -10.77 C:15 17.53 -7.34 O 13.98 -6.52 O 19.25 -13.64 O 19.01 -6.85 O 15.65 -11.52 C:105 15.04 -16.05 C:103 17.14 -17.27 C:106 15.74 -14.85 C:102 17.85 -16.05 C:7 19.25 -11.35 C:3 15.27 -8.74 O 15.04 -18.47 O 16.40 -6.52 O 17.14 -12.42 O 21.37 -9.49 C:2001 15.19 -5.82 C:107 17.85 -13.64 C:104 15.74 -17.27 C:101 17.14 -14.85 C:11 14.19 -10.90 C:10 18.86 -8.24 C:6 17.85 -11.22 C:2 16.40 -7.92 C:9 20.07 -8.95 C:8 20.26 -10.35 C:5 17.14 -10.05 C:1 17.53 -8.74 C:4 15.65 -10.05 32 1 -2 2 18 1 3 22 1 4 26 1 5 26 1 31 6 -1 33 7 -1 8 22 2 9 23 2 27 10 -1 34 11 -1 12 14 2 12 24 1 13 15 1 13 24 2 14 25 1 15 25 2 16 28 1 16 31 1 17 29 1 17 34 1 18 24 1 19 22 1 29 19 -1 20 23 1 28 20 -2 30 21 -2 21 31 1 23 25 1 34 26 -2 27 30 1 27 33 1 28 32 1 29 33 1 30 31 1 32 33 1 32 34 1', '34 37 H 16.77 -10.99 C 13.64 -18.47 C 15.19 -4.42 C 14.19 -12.29 C 12.97 -10.20 C 21.58 -10.77 C 17.53 -7.34 O 13.98 -6.52 O 19.25 -13.64 O 19.01 -6.85 O 15.65 -11.52 C 15.04 -16.05 C 17.14 -17.27 C 15.74 -14.85 C 17.85 -16.05 C 19.25 -11.35 C 15.27 -8.74 O 15.04 -18.47 O 16.40 -6.52 O 17.14 -12.42 O 21.37 -9.49 C 15.19 -5.82 C 17.85 -13.64 C 15.74 -17.27 C 17.14 -14.85 C 14.19 -10.90 C 18.86 -8.24 C 17.85 -11.22 C 16.40 -7.92 C 20.07 -8.95 C 20.26 -10.35 C 17.14 -10.05 C 17.53 -8.74 C 15.65 -10.05 32 1 -2 2 18 1 3 22 1 4 26 1 5 26 1 31 6 -1 33 7 -1 8 22 2 9 23 2 27 10 -1 34 11 -1 12 14 2 12 24 1 13 15 1 13 24 2 14 25 1 15 25 2 16 28 1 16 31 1 17 29 1 17 34 1 18 24 1 19 22 1 29 19 -1 20 23 1 28 20 -2 30 21 -2 21 31 1 23 25 1 34 26 -2 27 30 1 27 33 1 28 32 1 29 33 1 30 31 1 32 33 1 32 34 1', '34 37 H 16.77 -10.99 C:56 13.64 -18.47 C:21 15.19 -4.42 C:18 14.19 -12.29 C:17 12.97 -10.20 C:23 21.58 -10.77 C:14 17.53 -7.34 O 13.98 -6.52 O 19.25 -13.64 O 19.01 -6.85 O 15.65 -11.52 C:114 15.04 -16.05 C:114 17.14 -17.27 C:132 15.74 -14.85 C:132 17.85 -16.05 C:44 19.25 -11.35 C:39 15.27 -8.74 O 15.04 -18.47 O 16.40 -6.52 O 17.14 -12.42 O 21.37 -9.49 C:171 15.19 -5.82 C:166 17.85 -13.64 C:164 15.74 -17.27 C:122 17.14 -14.85 C:37 14.19 -10.90 C:75 18.86 -8.24 C:69 17.85 -11.22 C:80 16.40 -7.92 C:67 20.07 -8.95 C:55 20.26 -10.35 C:54 17.14 -10.05 C:53 17.53 -8.74 C:85 15.65 -10.05 32 1 -2 2 18 1 3 22 1 4 26 1 5 26 1 31 6 -1 33 7 -1 8 22 2 9 23 2 27 10 -1 34 11 -1 12 14 2 12 24 1 13 15 1 13 24 2 14 25 1 15 25 2 16 28 1 16 31 1 17 29 1 17 34 1 18 24 1 19 22 1 29 19 -1 20 23 1 28 20 -2 30 21 -2 21 31 1 23 25 1 34 26 -2 27 30 1 27 33 1 28 32 1 29 33 1 30 31 1 32 33 1 32 34 1', 'C25H34O8', 462.271, 'C', 'ph08_1933_4', 4195, '', '', '1', 1, NULL, NULL),
(16744, '', '2,10-Diacetyl-8-hydroxyferutriol-6-anisate', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]23[C@@H:6](O[C:107](=O)[c:101]1[cH:102][cH:103][c:104](O[CH3:104001])[cH:105][cH:106]1)[CH2:7][C@@:8]([CH3:14])(O)[CH:9]=[C:10](O[C:10001]([CH3:10002])=O)[C@@:1]2([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@:4]3(O)[CH:11]([CH3:12])[CH3:13]', '[H][C@@]23[C@@H](OC(=O)c1ccc(OC)cc1)C[C@@](C)(O)C=C(OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@]3(O)C(C)C', '[H][C@@:49]23[C@@H:69](O[C:167](=O)[c:122]1[cH:132][cH:114][c:164](O[CH3:56])[cH:114][cH:132]1)[CH2:41][C@@:82]([CH3:24])(O)[CH:124]=[C:153](O[C:169]([CH3:22])=O)[C@@:53]2([CH3:18])[C@@H:80](O[C:170]([CH3:21])=O)[CH2:39][C@@:85]3(O)[CH:36]([CH3:18])[CH3:18]', '37 39 H 16.69 -10.95 C:104001 13.56 -18.45 C:10002 20.35 -4.85 C:2002 15.11 -4.39 C:12 12.90 -10.16 C:13 14.12 -12.27 C:14 21.55 -10.01 C:15 17.46 -7.30 O 21.33 -7.09 O 13.89 -6.48 O 19.16 -13.63 O 21.11 -11.31 O 15.57 -11.48 C:9 19.98 -8.91 C:103 17.06 -17.25 C:105 14.96 -16.03 C:102 17.78 -16.03 C:106 15.66 -14.83 C:7 19.16 -11.31 C:3 15.20 -8.70 O 14.96 -18.45 O 18.92 -6.81 O 16.32 -6.48 O 17.06 -12.40 C:10001 20.17 -6.25 C:2001 15.11 -5.78 C:107 17.78 -13.63 C:10 18.77 -8.20 C:104 15.66 -17.25 C:101 17.06 -14.83 C:11 14.12 -10.86 C:2 16.32 -7.88 C:6 17.78 -11.18 C:8 20.17 -10.31 C:1 17.46 -8.70 C:5 17.06 -10.01 C:4 15.57 -10.01 36 1 -2 2 21 1 3 25 1 4 26 1 5 31 1 6 31 1 34 7 -1 35 8 -1 9 25 2 10 26 2 11 27 2 34 12 -2 37 13 -1 14 28 2 14 34 1 15 17 1 15 29 2 16 18 2 16 29 1 17 30 2 18 30 1 19 33 1 19 34 1 20 32 1 20 37 1 21 29 1 22 25 1 22 28 1 23 26 1 32 23 -2 24 27 1 33 24 -2 27 30 1 28 35 1 37 31 -2 32 35 1 33 36 1 35 36 1 36 37 1', '37 39 H 16.69 -10.95 C 13.56 -18.45 C 20.35 -4.85 C 15.11 -4.39 C 12.90 -10.16 C 14.12 -12.27 C 21.55 -10.01 C 17.46 -7.30 O 21.33 -7.09 O 13.89 -6.48 O 19.16 -13.63 O 21.11 -11.31 O 15.57 -11.48 C 19.98 -8.91 C 17.06 -17.25 C 14.96 -16.03 C 17.78 -16.03 C 15.66 -14.83 C 19.16 -11.31 C 15.20 -8.70 O 14.96 -18.45 O 18.92 -6.81 O 16.32 -6.48 O 17.06 -12.40 C 20.17 -6.25 C 15.11 -5.78 C 17.78 -13.63 C 18.77 -8.20 C 15.66 -17.25 C 17.06 -14.83 C 14.12 -10.86 C 16.32 -7.88 C 17.78 -11.18 C 20.17 -10.31 C 17.46 -8.70 C 17.06 -10.01 C 15.57 -10.01 36 1 -2 2 21 1 3 25 1 4 26 1 5 31 1 6 31 1 34 7 -1 35 8 -1 9 25 2 10 26 2 11 27 2 34 12 -2 37 13 -1 14 28 2 14 34 1 15 17 1 15 29 2 16 18 2 16 29 1 17 30 2 18 30 1 19 33 1 19 34 1 20 32 1 20 37 1 21 29 1 22 25 1 22 28 1 23 26 1 32 23 -2 24 27 1 33 24 -2 27 30 1 28 35 1 37 31 -2 32 35 1 33 36 1 35 36 1 36 37 1', '37 39 H 16.69 -10.95 C:56 13.56 -18.45 C:22 20.35 -4.85 C:21 15.11 -4.39 C:18 12.90 -10.16 C:18 14.12 -12.27 C:24 21.55 -10.01 C:18 17.46 -7.30 O 21.33 -7.09 O 13.89 -6.48 O 19.16 -13.63 O 21.11 -11.31 O 15.57 -11.48 C:124 19.98 -8.91 C:114 17.06 -17.25 C:114 14.96 -16.03 C:132 17.78 -16.03 C:132 15.66 -14.83 C:41 19.16 -11.31 C:39 15.20 -8.70 O 14.96 -18.45 O 18.92 -6.81 O 16.32 -6.48 O 17.06 -12.40 C:169 20.17 -6.25 C:170 15.11 -5.78 C:167 17.78 -13.63 C:153 18.77 -8.20 C:164 15.66 -17.25 C:122 17.06 -14.83 C:36 14.12 -10.86 C:80 16.32 -7.88 C:69 17.78 -11.18 C:82 20.17 -10.31 C:53 17.46 -8.70 C:49 17.06 -10.01 C:85 15.57 -10.01 36 1 -2 2 21 1 3 25 1 4 26 1 5 31 1 6 31 1 34 7 -1 35 8 -1 9 25 2 10 26 2 11 27 2 34 12 -2 37 13 -1 14 28 2 14 34 1 15 17 1 15 29 2 16 18 2 16 29 1 17 30 2 18 30 1 19 33 1 19 34 1 20 32 1 20 37 1 21 29 1 22 25 1 22 28 1 23 26 1 32 23 -2 24 27 1 33 24 -2 27 30 1 28 35 1 37 31 -2 32 35 1 33 36 1 35 36 1 36 37 1', 'C27H36O9', 504.291, 'C', 'ph08_1933_5', 4195, '', '', '1', 1, NULL, NULL),
(16745, 'Homalomenol E', '4,6,7-Trihydroxy-isodaucane (1α,4β-OH,5α,6α,7α)', 'Terpenoids', 'Sesquiterpenoids', 'Isodaucanes', '[H][C@@:5]12[C@@H:6](O)[C@@:7]([CH3:14])(O)[CH2:8][CH2:9][CH2:10][C@:1]1([CH3:15])[CH2:2][CH2:3][C@@:4]2(O)[CH:11]([CH3:12])[CH3:13]', '[H][C@@]12[C@@H](O)[C@@](C)(O)CCC[C@]1(C)CC[C@@]2(O)C(C)C', '[H][C@@:47]12[C@@H:76](O)[C@@:75]([CH3:26])(O)[CH2:34][CH2:30][CH2:43][C@:48]1([CH3:25])[CH2:38][CH2:27][C@@:76]2(O)[CH:34]([CH3:20])[CH3:26]', '19 20 H 17.37 -12.36 C:12 13.58 -11.57 C:13 14.79 -13.67 C:14 20.94 -13.62 C:15 18.13 -8.70 O 17.77 -13.80 O 19.63 -14.10 O 16.25 -12.89 C:9 20.66 -10.31 C:8 20.85 -11.72 C:10 19.46 -9.60 C:2 17.00 -9.28 C:3 15.87 -10.10 C:11 14.79 -12.27 C:6 18.48 -12.59 C:7 19.87 -12.72 C:1 18.13 -10.10 C:5 17.70 -11.42 C:4 16.25 -11.42 18 1 -2 2 14 1 3 14 1 16 4 -1 17 5 -2 15 6 -2 16 7 -2 19 8 -1 9 10 1 9 11 1 10 16 1 11 17 1 12 13 1 12 17 1 13 19 1 19 14 -2 15 16 1 15 18 1 17 18 1 18 19 1', '19 20 H 17.37 -12.36 C 13.58 -11.57 C 14.79 -13.67 C 20.94 -13.62 C 18.13 -8.70 O 17.77 -13.80 O 19.63 -14.10 O 16.25 -12.89 C 20.66 -10.31 C 20.85 -11.72 C 19.46 -9.60 C 17.00 -9.28 C 15.87 -10.10 C 14.79 -12.27 C 18.48 -12.59 C 19.87 -12.72 C 18.13 -10.10 C 17.70 -11.42 C 16.25 -11.42 18 1 -2 2 14 1 3 14 1 16 4 -1 17 5 -2 15 6 -2 16 7 -2 19 8 -1 9 10 1 9 11 1 10 16 1 11 17 1 12 13 1 12 17 1 13 19 1 19 14 -2 15 16 1 15 18 1 17 18 1 18 19 1', '19 20 H 17.37 -12.36 C:20 13.58 -11.57 C:26 14.79 -13.67 C:26 20.94 -13.62 C:25 18.13 -8.70 O 17.77 -13.80 O 19.63 -14.10 O 16.25 -12.89 C:30 20.66 -10.31 C:34 20.85 -11.72 C:43 19.46 -9.60 C:38 17.00 -9.28 C:27 15.87 -10.10 C:34 14.79 -12.27 C:76 18.48 -12.59 C:75 19.87 -12.72 C:48 18.13 -10.10 C:47 17.70 -11.42 C:76 16.25 -11.42 18 1 -2 2 14 1 3 14 1 16 4 -1 17 5 -2 15 6 -2 16 7 -2 19 8 -1 9 10 1 9 11 1 10 16 1 11 17 1 12 13 1 12 17 1 13 19 1 19 14 -2 15 16 1 15 18 1 17 18 1 18 19 1', 'C15H28O3', 256.167, 'D', 'ph08_2367_6', 4196, '', '', '1', 1, NULL, NULL),
(16746, '', '1β,4β,6α-Trihydroxy-eudesmane', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:5]12[C@H:6](O)[C@@H:7]([CH:11]([CH3:12])[CH3:13])[CH2:8][CH2:9][C@@:10]1([CH3:14])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]2([CH3:15])O', '[H][C@]12[C@H](O)[C@@H](C(C)C)CC[C@@]1(C)[C@@H](O)CC[C@@]2(C)O', '[H][C@:58]12[C@H:70](O)[C@@H:53]([CH:27]([CH3:22])[CH3:16])[CH2:19][CH2:39][C@@:42]1([CH3:14])[C@@H:80](O)[CH2:28][CH2:42][C@@:73]2([CH3:35])O', '19 20 H 16.03 -13.13 C:12 19.71 -14.23 C:13 20.93 -12.13 C:15 15.62 -14.05 C:14 16.03 -9.27 O 14.80 -8.58 O 17.26 -14.23 O 14.12 -14.05 C:2 13.55 -10.70 C:8 18.49 -10.70 C:3 13.55 -12.13 C:9 17.26 -9.98 C:11 19.71 -12.83 C:1 14.80 -9.98 C:6 17.26 -12.83 C:7 18.49 -12.13 C:4 14.80 -12.83 C:10 16.03 -10.70 C:5 16.03 -12.13 19 1 -1 2 13 1 3 13 1 17 4 -1 18 5 -1 14 6 -2 15 7 -1 17 8 -2 9 11 1 9 14 1 10 12 1 10 16 1 11 17 1 12 18 1 16 13 -2 14 18 1 15 16 1 15 19 1 17 19 1 18 19 1', '19 20 H 16.03 -13.13 C 19.71 -14.23 C 20.93 -12.13 C 15.62 -14.05 C 16.03 -9.27 O 14.80 -8.58 O 17.26 -14.23 O 14.12 -14.05 C 13.55 -10.70 C 18.49 -10.70 C 13.55 -12.13 C 17.26 -9.98 C 19.71 -12.83 C 14.80 -9.98 C 17.26 -12.83 C 18.49 -12.13 C 14.80 -12.83 C 16.03 -10.70 C 16.03 -12.13 19 1 -1 2 13 1 3 13 1 17 4 -1 18 5 -1 14 6 -2 15 7 -1 17 8 -2 9 11 1 9 14 1 10 12 1 10 16 1 11 17 1 12 18 1 16 13 -2 14 18 1 15 16 1 15 19 1 17 19 1 18 19 1', '19 20 H 16.03 -13.13 C:22 19.71 -14.23 C:16 20.93 -12.13 C:35 15.62 -14.05 C:14 16.03 -9.27 O 14.80 -8.58 O 17.26 -14.23 O 14.12 -14.05 C:28 13.55 -10.70 C:19 18.49 -10.70 C:42 13.55 -12.13 C:39 17.26 -9.98 C:27 19.71 -12.83 C:80 14.80 -9.98 C:70 17.26 -12.83 C:53 18.49 -12.13 C:73 14.80 -12.83 C:42 16.03 -10.70 C:58 16.03 -12.13 19 1 -1 2 13 1 3 13 1 17 4 -1 18 5 -1 14 6 -2 15 7 -1 17 8 -2 9 11 1 9 14 1 10 12 1 10 16 1 11 17 1 12 18 1 16 13 -2 14 18 1 15 16 1 15 19 1 17 19 1 18 19 1', 'C15H28O3', 256.167, 'M', 'ph08_2367_7', 4196, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16747, 'Homalomenol F', '8-Methoxyl-13-(40-oxy-butanolide)-5(9)-epoxydaucane', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[CH3:8001]O[C@@:8]1([CH3:14])[CH2:7][CH2:6][C@@:5]23O[C@H:9]1[CH2:10][C@@:1]2([CH3:15])[CH2:2][CH2:3][C@@H:4]3[CH:11]([CH3:12])[CH2:13]O[CH:104]4[CH2:103][CH2:102][C:101](=O)O4', 'CO[C@@]1(C)CC[C@@]23O[C@H]1C[C@@]2(C)CC[C@@H]3C(C)COC4CCC(=O)O4', '[CH3:55]O[C@@:88]1([CH3:23])[CH2:39][CH2:44][C@@:90]23O[C@H:76]1[CH2:32][C@@:45]2([CH3:17])[CH2:29][CH2:29][C@@H:48]3[CH:31]([CH3:18])[CH2:75]O[CH:104]4[CH2:23][CH2:28][C:180](=O)O4', '25 28 C:8001 21.78 -10.13 C:12 12.75 -10.00 C:15 16.81 -6.39 C:14 20.42 -10.39 O 16.16 -16.50 C:102 13.73 -15.99 C:103 12.99 -14.85 C:3 14.55 -7.79 C:2 15.68 -6.96 C:7 18.55 -10.39 C:6 17.15 -10.22 C:13 14.45 -11.50 C:10 18.14 -7.29 O 20.83 -9.09 O 13.48 -12.48 O 15.12 -14.27 O 17.75 -9.09 C:101 15.06 -15.63 C:11 14.10 -10.22 C:104 13.84 -13.80 C:9 19.32 -8.00 C:4 14.98 -9.09 C:1 16.81 -7.79 C:8 19.50 -9.38 C:5 16.38 -9.09 1 14 1 2 19 1 23 3 -1 24 4 -2 5 18 2 6 7 1 6 18 1 7 20 1 8 9 1 8 22 1 9 23 1 10 11 1 10 24 1 11 25 1 12 15 1 12 19 1 13 21 1 13 23 1 24 14 -1 15 20 1 16 18 1 16 20 1 21 17 -1 25 17 -1 22 19 -1 21 24 1 22 25 1 23 25 1', '25 28 C 21.78 -10.13 C 12.75 -10.00 C 16.81 -6.39 C 20.42 -10.39 O 16.16 -16.50 C 13.73 -15.99 C 12.99 -14.85 C 14.55 -7.79 C 15.68 -6.96 C 18.55 -10.39 C 17.15 -10.22 C 14.45 -11.50 C 18.14 -7.29 O 20.83 -9.09 O 13.48 -12.48 O 15.12 -14.27 O 17.75 -9.09 C 15.06 -15.63 C 14.10 -10.22 C 13.84 -13.80 C 19.32 -8.00 C 14.98 -9.09 C 16.81 -7.79 C 19.50 -9.38 C 16.38 -9.09 1 14 1 2 19 1 23 3 -1 24 4 -2 5 18 2 6 7 1 6 18 1 7 20 1 8 9 1 8 22 1 9 23 1 10 11 1 10 24 1 11 25 1 12 15 1 12 19 1 13 21 1 13 23 1 24 14 -1 15 20 1 16 18 1 16 20 1 21 17 -1 25 17 -1 22 19 -1 21 24 1 22 25 1 23 25 1', '25 28 C:55 21.78 -10.13 C:18 12.75 -10.00 C:17 16.81 -6.39 C:23 20.42 -10.39 O 16.16 -16.50 C:28 13.73 -15.99 C:23 12.99 -14.85 C:29 14.55 -7.79 C:29 15.68 -6.96 C:39 18.55 -10.39 C:44 17.15 -10.22 C:75 14.45 -11.50 C:32 18.14 -7.29 O 20.83 -9.09 O 13.48 -12.48 O 15.12 -14.27 O 17.75 -9.09 C:180 15.06 -15.63 C:31 14.10 -10.22 C:104 13.84 -13.80 C:76 19.32 -8.00 C:48 14.98 -9.09 C:45 16.81 -7.79 C:88 19.50 -9.38 C:90 16.38 -9.09 1 14 1 2 19 1 23 3 -1 24 4 -2 5 18 2 6 7 1 6 18 1 7 20 1 8 9 1 8 22 1 9 23 1 10 11 1 10 24 1 11 25 1 12 15 1 12 19 1 13 21 1 13 23 1 24 14 -1 15 20 1 16 18 1 16 20 1 21 17 -1 25 17 -1 22 19 -1 21 24 1 22 25 1 23 25 1', 'C20H32O5', 352.211, 'M', 'ph08_2367_8', 4196, '', '', '1', 1, NULL, NULL),
(16748, 'Elaeochytrin A', '6-Anthraniloyl jaeschkeanadiol', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]23[C@@H:6](O[C:101](=O)[c:102]1[cH:107][cH:106][cH:105][cH:104][c:103]1N)[CH2:7][C:8]([CH3:14])=[CH:9][CH2:10][C@@:1]2([CH3:15])[CH2:2][CH2:3][C@@:4]3(O)[CH:11]([CH3:12])[CH3:13]', '[H][C@@]23[C@@H](OC(=O)c1ccccc1N)CC(C)=CC[C@@]2(C)CC[C@@]3(O)C(C)C', '[H][C@@:60]23[C@@H:71](O[C:168](=O)[c:111]1[cH:131][cH:117][cH:134][cH:116][c:151]1N)[CH2:42][C:134]([CH3:27])=[CH:125][CH2:41][C@@:44]2([CH3:20])[CH2:41][CH2:32][C@@:86]3(O)[CH:37]([CH3:18])[CH3:19]', '27 29 H 16.72 -10.09 C:14 21.53 -9.87 C:12 12.94 -9.30 C:13 14.15 -11.41 C:15 17.48 -6.44 N 15.00 -12.74 O 19.20 -12.74 O 15.60 -10.62 C:9 20.02 -8.04 C:105 15.69 -16.37 C:106 17.09 -16.37 C:104 15.00 -15.15 C:107 17.80 -15.15 C:10 18.81 -7.33 C:2 16.35 -7.02 C:3 15.22 -7.83 C:7 19.20 -10.45 O 17.09 -11.54 C:8 20.21 -9.45 C:101 17.80 -12.74 C:103 15.69 -13.95 C:102 17.09 -13.95 C:11 14.15 -10.00 C:6 17.80 -10.32 C:1 17.48 -7.83 C:5 17.09 -9.15 C:4 15.60 -9.15 26 1 -2 2 19 1 3 23 1 4 23 1 25 5 -1 6 21 1 7 20 2 27 8 -1 9 14 1 9 19 2 10 11 1 10 12 2 11 13 2 12 21 1 13 22 1 14 25 1 15 16 1 15 25 1 16 27 1 17 19 1 17 24 1 18 20 1 24 18 -2 20 22 1 21 22 2 27 23 -2 24 26 1 25 26 1 26 27 1', '27 29 H 16.72 -10.09 C 21.53 -9.87 C 12.94 -9.30 C 14.15 -11.41 C 17.48 -6.44 N 15.00 -12.74 O 19.20 -12.74 O 15.60 -10.62 C 20.02 -8.04 C 15.69 -16.37 C 17.09 -16.37 C 15.00 -15.15 C 17.80 -15.15 C 18.81 -7.33 C 16.35 -7.02 C 15.22 -7.83 C 19.20 -10.45 O 17.09 -11.54 C 20.21 -9.45 C 17.80 -12.74 C 15.69 -13.95 C 17.09 -13.95 C 14.15 -10.00 C 17.80 -10.32 C 17.48 -7.83 C 17.09 -9.15 C 15.60 -9.15 26 1 -2 2 19 1 3 23 1 4 23 1 25 5 -1 6 21 1 7 20 2 27 8 -1 9 14 1 9 19 2 10 11 1 10 12 2 11 13 2 12 21 1 13 22 1 14 25 1 15 16 1 15 25 1 16 27 1 17 19 1 17 24 1 18 20 1 24 18 -2 20 22 1 21 22 2 27 23 -2 24 26 1 25 26 1 26 27 1', '27 29 H 16.72 -10.09 C:27 21.53 -9.87 C:18 12.94 -9.30 C:19 14.15 -11.41 C:20 17.48 -6.44 N 15.00 -12.74 O 19.20 -12.74 O 15.60 -10.62 C:125 20.02 -8.04 C:134 15.69 -16.37 C:117 17.09 -16.37 C:116 15.00 -15.15 C:131 17.80 -15.15 C:41 18.81 -7.33 C:41 16.35 -7.02 C:32 15.22 -7.83 C:42 19.20 -10.45 O 17.09 -11.54 C:134 20.21 -9.45 C:168 17.80 -12.74 C:151 15.69 -13.95 C:111 17.09 -13.95 C:37 14.15 -10.00 C:71 17.80 -10.32 C:44 17.48 -7.83 C:60 17.09 -9.15 C:86 15.60 -9.15 26 1 -2 2 19 1 3 23 1 4 23 1 25 5 -1 6 21 1 7 20 2 27 8 -1 9 14 1 9 19 2 10 11 1 10 12 2 11 13 2 12 21 1 13 22 1 14 25 1 15 16 1 15 25 1 16 27 1 17 19 1 17 24 1 18 20 1 24 18 -2 20 22 1 21 22 2 27 23 -2 24 26 1 25 26 1 26 27 1', 'C22H31NO3', 357.248, 'C', 'ph08_2979_1', 4197, '', '', '1', 1, NULL, NULL),
(16749, 'Elaeochytrin B', '4b-Hydroxy-6a-(phydroxybenzoyloxy)dauc-9-ene', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]23[C@@H:6](O[C:101](=O)[c:102]1[cH:107][cH:106][c:105](O)[cH:104][cH:103]1)[CH2:7][C@H:8]([CH3:14])[CH:9]=[CH:10][C@@:1]2([CH3:15])[CH2:2][CH2:3][C@@:4]3(O)[CH:11]([CH3:13])[CH3:12]', '[H][C@@]23[C@@H](OC(=O)c1ccc(O)cc1)C[C@H](C)C=C[C@@]2(C)CC[C@@]3(O)C(C)C', '[H][C@@:52]23[C@@H:71](O[C:167](=O)[c:122]1[cH:132][cH:116][c:161](O)[cH:116][cH:132]1)[CH2:46][C@H:21]([CH3:21])[CH:138]=[CH:135][C@@:46]2([CH3:29])[CH2:42][CH2:31][C@@:86]3(O)[CH:37]([CH3:18])[CH3:17]', '27 29 H 16.71 -9.53 C:13 14.14 -10.85 C:12 12.94 -8.74 C:14 21.52 -9.31 C:15 17.47 -5.88 O 19.19 -12.18 O 14.98 -17.01 O 15.59 -10.06 C:9 20.01 -7.48 C:10 18.80 -6.77 C:106 17.08 -15.80 C:104 14.98 -14.58 C:107 17.79 -14.58 C:103 15.68 -13.38 C:2 16.34 -6.46 C:3 15.21 -7.27 C:7 19.19 -9.89 O 17.08 -10.98 C:101 17.79 -12.18 C:105 15.68 -15.80 C:102 17.08 -13.38 C:11 14.14 -9.44 C:8 20.20 -8.89 C:6 17.79 -9.76 C:1 17.47 -7.27 C:5 17.08 -8.59 C:4 15.59 -8.59 26 1 -2 2 22 1 3 22 1 23 4 -1 25 5 -1 6 19 2 7 20 1 27 8 -1 9 10 2 9 23 1 10 25 1 11 13 2 11 20 1 12 14 1 12 20 2 13 21 1 14 21 2 15 16 1 15 25 1 16 27 1 17 23 1 17 24 1 18 19 1 24 18 -2 19 21 1 27 22 -2 24 26 1 25 26 1 26 27 1', '27 29 H 16.71 -9.53 C 14.14 -10.85 C 12.94 -8.74 C 21.52 -9.31 C 17.47 -5.88 O 19.19 -12.18 O 14.98 -17.01 O 15.59 -10.06 C 20.01 -7.48 C 18.80 -6.77 C 17.08 -15.80 C 14.98 -14.58 C 17.79 -14.58 C 15.68 -13.38 C 16.34 -6.46 C 15.21 -7.27 C 19.19 -9.89 O 17.08 -10.98 C 17.79 -12.18 C 15.68 -15.80 C 17.08 -13.38 C 14.14 -9.44 C 20.20 -8.89 C 17.79 -9.76 C 17.47 -7.27 C 17.08 -8.59 C 15.59 -8.59 26 1 -2 2 22 1 3 22 1 23 4 -1 25 5 -1 6 19 2 7 20 1 27 8 -1 9 10 2 9 23 1 10 25 1 11 13 2 11 20 1 12 14 1 12 20 2 13 21 1 14 21 2 15 16 1 15 25 1 16 27 1 17 23 1 17 24 1 18 19 1 24 18 -2 19 21 1 27 22 -2 24 26 1 25 26 1 26 27 1', '27 29 H 16.71 -9.53 C:18 14.14 -10.85 C:17 12.94 -8.74 C:21 21.52 -9.31 C:29 17.47 -5.88 O 19.19 -12.18 O 14.98 -17.01 O 15.59 -10.06 C:138 20.01 -7.48 C:135 18.80 -6.77 C:116 17.08 -15.80 C:116 14.98 -14.58 C:132 17.79 -14.58 C:132 15.68 -13.38 C:42 16.34 -6.46 C:31 15.21 -7.27 C:46 19.19 -9.89 O 17.08 -10.98 C:167 17.79 -12.18 C:161 15.68 -15.80 C:122 17.08 -13.38 C:37 14.14 -9.44 C:21 20.20 -8.89 C:71 17.79 -9.76 C:46 17.47 -7.27 C:52 17.08 -8.59 C:86 15.59 -8.59 26 1 -2 2 22 1 3 22 1 23 4 -1 25 5 -1 6 19 2 7 20 1 27 8 -1 9 10 2 9 23 1 10 25 1 11 13 2 11 20 1 12 14 1 12 20 2 13 21 1 14 21 2 15 16 1 15 25 1 16 27 1 17 23 1 17 24 1 18 19 1 24 18 -2 19 21 1 27 22 -2 24 26 1 25 26 1 26 27 1', 'C22H30O4', 358.241, 'C', 'ph08_2979_2', 4197, '', '', '1', 1, NULL, NULL),
(16750, 'Cinnamadin', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O)[C:8]1=[C:9]([CH2:11]O[C:12]1=O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23[C@H](OC(C)=O)[C@@H](O)C1=C(COC1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:49]23[C@H:72](O[C:170]([CH3:21])=O)[C@@H:64](O)[C:123]1=[C:174]([CH2:69]O[C:170]1=O)[C@@:37]2([CH3:33])[CH2:38][CH2:19][CH2:43][C@@:34]3([CH3:23])[CH3:23]', '23 25 H 16.03 -12.22 C:6002 18.43 -15.35 C:14 13.90 -12.95 C:13 15.53 -13.09 C:15 16.03 -8.32 O 19.68 -13.28 O 20.97 -9.11 O 19.68 -11.86 C:2 13.55 -9.79 C:11 17.60 -7.65 C:3 13.55 -11.19 C:1 14.79 -9.04 O 19.04 -7.52 O 17.29 -13.28 C:6001 18.43 -13.98 C:12 19.61 -8.84 C:9 17.29 -9.04 C:8 18.53 -9.79 C:7 18.53 -11.19 C:6 17.29 -11.91 C:4 14.79 -11.91 C:10 16.03 -9.79 C:5 16.03 -11.19 23 1 -2 2 15 1 21 3 -1 21 4 -2 22 5 -1 6 15 2 7 16 2 19 8 -2 9 11 1 9 12 1 10 13 1 10 17 1 11 21 1 12 22 1 13 16 1 14 15 1 20 14 -1 16 18 1 17 18 2 17 22 1 18 19 1 19 20 1 20 23 1 21 23 1 22 23 1', '23 25 H 16.03 -12.22 C 18.43 -15.35 C 13.90 -12.95 C 15.53 -13.09 C 16.03 -8.32 O 19.68 -13.28 O 20.97 -9.11 O 19.68 -11.86 C 13.55 -9.79 C 17.60 -7.65 C 13.55 -11.19 C 14.79 -9.04 O 19.04 -7.52 O 17.29 -13.28 C 18.43 -13.98 C 19.61 -8.84 C 17.29 -9.04 C 18.53 -9.79 C 18.53 -11.19 C 17.29 -11.91 C 14.79 -11.91 C 16.03 -9.79 C 16.03 -11.19 23 1 -2 2 15 1 21 3 -1 21 4 -2 22 5 -1 6 15 2 7 16 2 19 8 -2 9 11 1 9 12 1 10 13 1 10 17 1 11 21 1 12 22 1 13 16 1 14 15 1 20 14 -1 16 18 1 17 18 2 17 22 1 18 19 1 19 20 1 20 23 1 21 23 1 22 23 1', '23 25 H 16.03 -12.22 C:21 18.43 -15.35 C:23 13.90 -12.95 C:23 15.53 -13.09 C:33 16.03 -8.32 O 19.68 -13.28 O 20.97 -9.11 O 19.68 -11.86 C:19 13.55 -9.79 C:69 17.60 -7.65 C:43 13.55 -11.19 C:38 14.79 -9.04 O 19.04 -7.52 O 17.29 -13.28 C:170 18.43 -13.98 C:170 19.61 -8.84 C:174 17.29 -9.04 C:123 18.53 -9.79 C:64 18.53 -11.19 C:72 17.29 -11.91 C:34 14.79 -11.91 C:37 16.03 -9.79 C:49 16.03 -11.19 23 1 -2 2 15 1 21 3 -1 21 4 -2 22 5 -1 6 15 2 7 16 2 19 8 -2 9 11 1 9 12 1 10 13 1 10 17 1 11 21 1 12 22 1 13 16 1 14 15 1 20 14 -1 16 18 1 17 18 2 17 22 1 18 19 1 19 20 1 20 23 1 21 23 1 22 23 1', 'C17H24O5', 308.187, 'M', 'np08_123_1', 833, '', '', '1', 1, NULL, NULL),
(16751, 'Cinnamodial 11α,12β-dimethyl acetal', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[C@H:6](O[C:6001]([CH3:6002])=O)[CH:7]=[C:8]1[C@H:12](O[CH3:12001])O[C@@H:11](O[CH3:11001])[C@:9]1(O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@@]23[C@H](OC(C)=O)C=C1[C@H](OC)O[C@@H](OC)[C@]1(O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:45]23[C@H:67](O[C:170]([CH3:21])=O)[CH:135]=[C:132]1[C@H:104](O[CH3:55])O[C@@H:104](O[CH3:57])[C@:77]1(O)[C@@:39]2([CH3:18])[CH2:32][CH2:20][CH2:45][C@:34]3([CH3:33])[CH3:24]', '26 28 H 15.78 -13.32 C:12001 21.16 -11.54 C:11001 16.85 -6.39 C:6002 18.17 -16.44 C:13 15.28 -14.19 C:14 13.65 -14.05 C:15 15.78 -9.43 O 19.42 -14.38 O 17.04 -11.54 C:7 18.27 -12.29 C:2 13.30 -10.89 C:3 13.30 -12.29 C:1 14.54 -10.14 O 20.71 -10.21 O 16.41 -7.72 O 17.04 -14.38 O 18.78 -8.63 C:6001 18.17 -15.08 C:8 18.27 -10.89 C:6 17.04 -13.01 C:12 19.35 -9.94 C:11 17.35 -8.76 C:4 14.54 -13.01 C:10 15.78 -10.89 C:5 15.78 -12.29 C:9 17.04 -10.14 25 1 -2 2 14 1 3 15 1 4 18 1 23 5 -2 23 6 -1 24 7 -1 8 18 2 26 9 -2 10 19 2 10 20 1 11 12 1 11 13 1 12 23 1 13 24 1 21 14 -1 22 15 -2 16 18 1 20 16 -1 17 21 1 17 22 1 19 21 1 19 26 1 20 25 1 22 26 1 23 25 1 24 25 1 24 26 1', '26 28 H 15.78 -13.32 C 21.16 -11.54 C 16.85 -6.39 C 18.17 -16.44 C 15.28 -14.19 C 13.65 -14.05 C 15.78 -9.43 O 19.42 -14.38 O 17.04 -11.54 C 18.27 -12.29 C 13.30 -10.89 C 13.30 -12.29 C 14.54 -10.14 O 20.71 -10.21 O 16.41 -7.72 O 17.04 -14.38 O 18.78 -8.63 C 18.17 -15.08 C 18.27 -10.89 C 17.04 -13.01 C 19.35 -9.94 C 17.35 -8.76 C 14.54 -13.01 C 15.78 -10.89 C 15.78 -12.29 C 17.04 -10.14 25 1 -2 2 14 1 3 15 1 4 18 1 23 5 -2 23 6 -1 24 7 -1 8 18 2 26 9 -2 10 19 2 10 20 1 11 12 1 11 13 1 12 23 1 13 24 1 21 14 -1 22 15 -2 16 18 1 20 16 -1 17 21 1 17 22 1 19 21 1 19 26 1 20 25 1 22 26 1 23 25 1 24 25 1 24 26 1', '26 28 H 15.78 -13.32 C:55 21.16 -11.54 C:57 16.85 -6.39 C:21 18.17 -16.44 C:33 15.28 -14.19 C:24 13.65 -14.05 C:18 15.78 -9.43 O 19.42 -14.38 O 17.04 -11.54 C:135 18.27 -12.29 C:20 13.30 -10.89 C:45 13.30 -12.29 C:32 14.54 -10.14 O 20.71 -10.21 O 16.41 -7.72 O 17.04 -14.38 O 18.78 -8.63 C:170 18.17 -15.08 C:132 18.27 -10.89 C:67 17.04 -13.01 C:104 19.35 -9.94 C:104 17.35 -8.76 C:34 14.54 -13.01 C:39 15.78 -10.89 C:45 15.78 -12.29 C:77 17.04 -10.14 25 1 -2 2 14 1 3 15 1 4 18 1 23 5 -2 23 6 -1 24 7 -1 8 18 2 26 9 -2 10 19 2 10 20 1 11 12 1 11 13 1 12 23 1 13 24 1 21 14 -1 22 15 -2 16 18 1 20 16 -1 17 21 1 17 22 1 19 21 1 19 26 1 20 25 1 22 26 1 23 25 1 24 25 1 24 26 1', 'C19H30O6', 354.208, 'M', 'np08_123_2', 833, '', '', '1', 1, NULL, NULL),
(16752, '6α,7α-Epoxy-1-oxo-5α,12α,17α-trihydroxywitha-2,24-dienolide', '', 'Steroids', 'Ergostanes', 'Withanolides', '[H][C@:17]2([C@H:20]([CH3:21])[CH:22]1[CH2:23][C:24]([CH3:28])=[C:25]([CH3:27])[C:26](=O)O1)[CH2:16][CH2:15][C@@:14]3([H])[C@@:8]6([H])[C@:9]([H])([CH2:11][C@H:12](O)[C@:13]23[CH3:18])[C@@:10]4([CH3:19])[C:1](=O)[CH:2]=[CH:3][CH2:4][C@:5]4(O)[C@@:6]5([H])O[C@:7]56[H]', '[H][C@]2([C@H](C)C1CC(C)=C(C)C(=O)O1)CC[C@@]3([H])[C@@]6([H])[C@]([H])(C[C@H](O)[C@]23C)[C@@]4(C)C(=O)C=CC[C@]4(O)[C@@]5([H])O[C@]56[H]', '[H][C@:87]2([C@H:44]([CH3:9])[CH:80]1[CH2:33][C:151]([CH3:21])=[C:122]([CH3:13])[C:167](=O)O1)[CH2:38][CH2:23][C@@:41]3([H])[C@@:37]6([H])[C@:28]([H])([CH2:31][C@H:76](O)[C@:50]23[CH3:16])[C@@:52]4([CH3:15])[C:204](=O)[CH:129]=[CH:141][CH2:38][C@:74]4(O)[C@@:57]5([H])O[C@:57]56[H]', '40 45 H 17.76 -11.77 H 16.76 -13.74 H 14.18 -13.74 H 16.27 -15.38 H 14.18 -16.71 H 15.43 -12.30 C:28 22.22 -6.08 C:27 24.14 -8.19 C:21 17.57 -8.28 C:19 12.84 -11.94 C:18 16.76 -9.75 O 11.58 -11.25 O 23.27 -10.88 O 15.43 -9.06 O 12.84 -16.35 C:3 10.32 -14.93 C:2 10.32 -13.43 C:4 11.58 -15.70 C:16 18.91 -11.94 C:15 18.09 -13.10 C:23 20.41 -7.73 C:11 14.18 -11.25 O 20.93 -10.15 O 15.43 -16.35 C:24 21.79 -7.43 C:25 22.75 -8.48 C:1 11.58 -12.67 C:26 22.32 -9.84 C:20 18.53 -9.37 C:12 15.43 -10.47 C:22 19.97 -9.06 C:17 18.09 -10.76 C:14 16.76 -12.67 C:9 14.18 -12.67 C:7 15.43 -14.93 C:6 14.18 -15.70 C:10 12.84 -13.43 C:8 15.43 -13.43 C:13 16.76 -11.25 C:5 12.84 -14.93 32 1 -2 33 2 -2 34 3 -2 35 4 -1 36 5 -1 38 6 -1 7 25 1 8 26 1 29 9 -2 37 10 -1 39 11 -1 12 27 2 13 28 2 30 14 -2 40 15 -2 16 17 2 16 18 1 17 27 1 18 40 1 19 20 1 19 32 1 20 33 1 21 25 1 21 31 1 22 30 1 22 34 1 23 28 1 23 31 1 24 35 1 24 36 1 25 26 2 26 28 1 27 37 1 29 31 1 29 32 1 30 39 1 32 39 1 33 38 1 33 39 1 34 37 1 34 38 1 35 36 1 35 38 1 36 40 1 37 40 1', '40 45 H 17.76 -11.77 H 16.76 -13.74 H 14.18 -13.74 H 16.27 -15.38 H 14.18 -16.71 H 15.43 -12.30 C 22.22 -6.08 C 24.14 -8.19 C 17.57 -8.28 C 12.84 -11.94 C 16.76 -9.75 O 11.58 -11.25 O 23.27 -10.88 O 15.43 -9.06 O 12.84 -16.35 C 10.32 -14.93 C 10.32 -13.43 C 11.58 -15.70 C 18.91 -11.94 C 18.09 -13.10 C 20.41 -7.73 C 14.18 -11.25 O 20.93 -10.15 O 15.43 -16.35 C 21.79 -7.43 C 22.75 -8.48 C 11.58 -12.67 C 22.32 -9.84 C 18.53 -9.37 C 15.43 -10.47 C 19.97 -9.06 C 18.09 -10.76 C 16.76 -12.67 C 14.18 -12.67 C 15.43 -14.93 C 14.18 -15.70 C 12.84 -13.43 C 15.43 -13.43 C 16.76 -11.25 C 12.84 -14.93 32 1 -2 33 2 -2 34 3 -2 35 4 -1 36 5 -1 38 6 -1 7 25 1 8 26 1 29 9 -2 37 10 -1 39 11 -1 12 27 2 13 28 2 30 14 -2 40 15 -2 16 17 2 16 18 1 17 27 1 18 40 1 19 20 1 19 32 1 20 33 1 21 25 1 21 31 1 22 30 1 22 34 1 23 28 1 23 31 1 24 35 1 24 36 1 25 26 2 26 28 1 27 37 1 29 31 1 29 32 1 30 39 1 32 39 1 33 38 1 33 39 1 34 37 1 34 38 1 35 36 1 35 38 1 36 40 1 37 40 1', '40 45 H 17.76 -11.77 H 16.76 -13.74 H 14.18 -13.74 H 16.27 -15.38 H 14.18 -16.71 H 15.43 -12.30 C:21 22.22 -6.08 C:13 24.14 -8.19 C:9 17.57 -8.28 C:15 12.84 -11.94 C:16 16.76 -9.75 O 11.58 -11.25 O 23.27 -10.88 O 15.43 -9.06 O 12.84 -16.35 C:141 10.32 -14.93 C:129 10.32 -13.43 C:38 11.58 -15.70 C:38 18.91 -11.94 C:23 18.09 -13.10 C:33 20.41 -7.73 C:31 14.18 -11.25 O 20.93 -10.15 O 15.43 -16.35 C:151 21.79 -7.43 C:122 22.75 -8.48 C:204 11.58 -12.67 C:167 22.32 -9.84 C:44 18.53 -9.37 C:76 15.43 -10.47 C:80 19.97 -9.06 C:87 18.09 -10.76 C:41 16.76 -12.67 C:28 14.18 -12.67 C:57 15.43 -14.93 C:57 14.18 -15.70 C:52 12.84 -13.43 C:37 15.43 -13.43 C:50 16.76 -11.25 C:74 12.84 -14.93 32 1 -2 33 2 -2 34 3 -2 35 4 -1 36 5 -1 38 6 -1 7 25 1 8 26 1 29 9 -2 37 10 -1 39 11 -1 12 27 2 13 28 2 30 14 -2 40 15 -2 16 17 2 16 18 1 17 27 1 18 40 1 19 20 1 19 32 1 20 33 1 21 25 1 21 31 1 22 30 1 22 34 1 23 28 1 23 31 1 24 35 1 24 36 1 25 26 2 26 28 1 27 37 1 29 31 1 29 32 1 30 39 1 32 39 1 33 38 1 33 39 1 34 37 1 34 38 1 35 36 1 35 38 1 36 40 1 37 40 1', 'C28H38O6', 470.344, 'A', 'ph08_982_1', 4198, '', '', '1', 1, NULL, NULL),
(16753, '7α,11α-Dihydroxy-4(13),8-coloratadien-12,11-olide', '', 'Terpenoids', 'Sesquiterpenoids', 'Coloratanes', '[H][C@@:5]23[CH2:6][C@@H:7](O)[C:8]1=[C:9]([C@H:11](O)O[C:12]1=O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][C@H:3]([CH3:14])[C:4]3=[CH2:13]', '[H][C@@]23C[C@@H](O)C1=C([C@H](O)OC1=O)[C@@]2(C)CC[C@H](C)C3=C', '[H][C@@:45]23[CH2:32][C@@H:60](O)[C:130]1=[C:170]([C@H:98](O)O[C:171]1=O)[C@@:39]2([CH3:17])[CH2:35][CH2:33][C@H:39]([CH3:19])[C:154]3=[CH2:105]', '20 22 H 16.61 -13.68 C:13 15.32 -14.73 C:14 12.97 -13.35 C:15 16.61 -9.79 O 21.54 -10.59 O 20.27 -13.35 O 17.24 -8.08 C:2 14.13 -11.26 C:1 15.32 -10.51 C:6 17.87 -13.38 O 19.59 -8.98 C:4 15.32 -13.38 C:12 20.17 -10.30 C:8 19.08 -11.26 C:9 17.87 -10.51 C:3 14.13 -12.66 C:7 19.08 -12.66 C:11 18.16 -9.11 C:5 16.61 -12.66 C:10 16.61 -11.26 19 1 -2 2 12 2 16 3 -1 20 4 -1 5 13 2 17 6 -2 18 7 -2 8 9 1 8 16 1 9 20 1 10 17 1 10 19 1 11 13 1 11 18 1 12 16 1 12 19 1 13 14 1 14 15 2 14 17 1 15 18 1 15 20 1 19 20 1', '20 22 H 16.61 -13.68 C 15.32 -14.73 C 12.97 -13.35 C 16.61 -9.79 O 21.54 -10.59 O 20.27 -13.35 O 17.24 -8.08 C 14.13 -11.26 C 15.32 -10.51 C 17.87 -13.38 O 19.59 -8.98 C 15.32 -13.38 C 20.17 -10.30 C 19.08 -11.26 C 17.87 -10.51 C 14.13 -12.66 C 19.08 -12.66 C 18.16 -9.11 C 16.61 -12.66 C 16.61 -11.26 19 1 -2 2 12 2 16 3 -1 20 4 -1 5 13 2 17 6 -2 18 7 -2 8 9 1 8 16 1 9 20 1 10 17 1 10 19 1 11 13 1 11 18 1 12 16 1 12 19 1 13 14 1 14 15 2 14 17 1 15 18 1 15 20 1 19 20 1', '20 22 H 16.61 -13.68 C:105 15.32 -14.73 C:19 12.97 -13.35 C:17 16.61 -9.79 O 21.54 -10.59 O 20.27 -13.35 O 17.24 -8.08 C:33 14.13 -11.26 C:35 15.32 -10.51 C:32 17.87 -13.38 O 19.59 -8.98 C:154 15.32 -13.38 C:171 20.17 -10.30 C:130 19.08 -11.26 C:170 17.87 -10.51 C:39 14.13 -12.66 C:60 19.08 -12.66 C:98 18.16 -9.11 C:45 16.61 -12.66 C:39 16.61 -11.26 19 1 -2 2 12 2 16 3 -1 20 4 -1 5 13 2 17 6 -2 18 7 -2 8 9 1 8 16 1 9 20 1 10 17 1 10 19 1 11 13 1 11 18 1 12 16 1 12 19 1 13 14 1 14 15 2 14 17 1 15 18 1 15 20 1 19 20 1', 'C15H20O4', 264.166, 'A', 'ph08_982_4', 4198, '', '', '1', 1, NULL, NULL),
(16754, 'Isodrimanial', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]13[C@@H:6](O)[CH:7]=[C:8]([CH:12]=O)[C@H:9]([CH:11]=O)[C@@:10]1([CH3:15])[C@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:105][cH:106][c:107](O[CH3:107001])[cH:108][cH:109]2)[CH2:2][CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@@]13[C@@H](O)C=C(C=O)[C@H](C=O)[C@@]1(C)[C@H](OC(=O)C=Cc2ccc(OC)cc2)CC[C@]3(C)C', '[H][C@@:56]13[C@@H:68](O)[CH:154]=[C:140]([CH:192]=O)[C@H:58]([CH:200]=O)[C@@:45]1([CH3:11])[C@H:81](O[C:166](=O)[CH:115]=[CH:146][c:127]2[cH:130][cH:114][c:162](O[CH3:55])[cH:114][cH:130]2)[CH2:24][CH2:41][C@:33]3([CH3:36])[CH3:23]', '32 34 H 20.24 -14.23 C:107001 9.31 -11.00 C:13 19.74 -15.11 C:14 18.10 -14.97 C:15 20.24 -10.35 O 25.19 -11.71 O 22.72 -8.92 O 17.76 -7.56 O 21.51 -15.32 C:12 23.96 -11.06 C:11 21.51 -9.61 C:102 16.57 -9.61 C:103 15.39 -8.94 C:7 22.72 -13.21 C:105 12.94 -8.92 C:109 14.15 -11.00 C:106 11.74 -9.61 C:108 12.94 -11.71 C:2 17.76 -11.80 C:3 17.76 -13.21 O 10.52 -11.71 O 19.00 -9.61 C:101 17.76 -8.94 C:8 22.72 -11.80 C:104 14.15 -9.61 C:107 11.74 -11.00 C:6 21.51 -13.92 C:9 21.51 -11.06 C:1 19.00 -11.06 C:4 19.00 -13.92 C:5 20.24 -13.21 C:10 20.24 -11.80 31 1 -2 2 21 1 30 3 -2 30 4 -1 32 5 -1 6 10 2 7 11 2 8 23 2 27 9 -2 10 24 1 28 11 -1 12 13 2 12 23 1 13 25 1 14 24 2 14 27 1 15 17 2 15 25 1 16 18 1 16 25 2 17 26 1 18 26 2 19 20 1 19 29 1 20 30 1 21 26 1 22 23 1 29 22 -1 24 28 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', '32 34 H 20.24 -14.23 C 9.31 -11.00 C 19.74 -15.11 C 18.10 -14.97 C 20.24 -10.35 O 25.19 -11.71 O 22.72 -8.92 O 17.76 -7.56 O 21.51 -15.32 C 23.96 -11.06 C 21.51 -9.61 C 16.57 -9.61 C 15.39 -8.94 C 22.72 -13.21 C 12.94 -8.92 C 14.15 -11.00 C 11.74 -9.61 C 12.94 -11.71 C 17.76 -11.80 C 17.76 -13.21 O 10.52 -11.71 O 19.00 -9.61 C 17.76 -8.94 C 22.72 -11.80 C 14.15 -9.61 C 11.74 -11.00 C 21.51 -13.92 C 21.51 -11.06 C 19.00 -11.06 C 19.00 -13.92 C 20.24 -13.21 C 20.24 -11.80 31 1 -2 2 21 1 30 3 -2 30 4 -1 32 5 -1 6 10 2 7 11 2 8 23 2 27 9 -2 10 24 1 28 11 -1 12 13 2 12 23 1 13 25 1 14 24 2 14 27 1 15 17 2 15 25 1 16 18 1 16 25 2 17 26 1 18 26 2 19 20 1 19 29 1 20 30 1 21 26 1 22 23 1 29 22 -1 24 28 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', '32 34 H 20.24 -14.23 C:55 9.31 -11.00 C:36 19.74 -15.11 C:23 18.10 -14.97 C:11 20.24 -10.35 O 25.19 -11.71 O 22.72 -8.92 O 17.76 -7.56 O 21.51 -15.32 C:192 23.96 -11.06 C:200 21.51 -9.61 C:115 16.57 -9.61 C:146 15.39 -8.94 C:154 22.72 -13.21 C:130 12.94 -8.92 C:130 14.15 -11.00 C:114 11.74 -9.61 C:114 12.94 -11.71 C:24 17.76 -11.80 C:41 17.76 -13.21 O 10.52 -11.71 O 19.00 -9.61 C:166 17.76 -8.94 C:140 22.72 -11.80 C:127 14.15 -9.61 C:162 11.74 -11.00 C:68 21.51 -13.92 C:58 21.51 -11.06 C:81 19.00 -11.06 C:33 19.00 -13.92 C:56 20.24 -13.21 C:45 20.24 -11.80 31 1 -2 2 21 1 30 3 -2 30 4 -1 32 5 -1 6 10 2 7 11 2 8 23 2 27 9 -2 10 24 1 28 11 -1 12 13 2 12 23 1 13 25 1 14 24 2 14 27 1 15 17 2 15 25 1 16 18 1 16 25 2 17 26 1 18 26 2 19 20 1 19 29 1 20 30 1 21 26 1 22 23 1 29 22 -1 24 28 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', 'C25H30O6', 426.272, 'C', 'tt08_2192_4', 4199, '', '', '1', 1, NULL, NULL),
(16755, '1b-O-(p-Methoxy-(E)-cinnamoyl-bemadienolide 5', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]24[CH:6]=[CH:7][C:8]1=[C:9]([CH2:11]O[C:12]1=O)[C@@:10]2([CH3:15])[C@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]3[cH:109][cH:108][c:107](O[CH3:107001])[cH:106][cH:105]3)[CH2:2][CH2:3][C@@:4]4([CH3:14])[CH3:13]', '[H][C@@]24C=CC1=C(COC1=O)[C@@]2(C)[C@H](OC(=O)C=Cc3ccc(OC)cc3)CC[C@@]4(C)C', '[H][C@@:52]24[CH:131]=[CH:118][C:124]1=[C:167]([CH2:69]O[C:172]1=O)[C@@:42]2([CH3:11])[C@H:77](O[C:167](=O)[CH:115]=[CH:146][c:127]3[cH:130][cH:115][c:162](O[CH3:56])[cH:115][cH:130]3)[CH2:24][CH2:39][C@@:33]4([CH3:23])[CH3:32]', '31 34 H 20.27 -14.30 C:107001 9.33 -11.07 C:14 18.12 -15.04 C:13 19.77 -15.18 C:15 20.27 -10.42 O 17.78 -7.63 O 25.18 -11.28 C:102 16.59 -9.68 C:7 22.75 -13.28 C:103 15.41 -8.99 C:6 21.54 -13.99 C:109 14.17 -11.07 C:105 12.95 -8.99 C:108 12.95 -11.78 C:106 11.75 -9.68 C:11 21.88 -9.77 C:2 17.78 -11.87 C:3 17.78 -13.28 O 10.54 -11.78 O 23.27 -9.68 O 19.02 -9.68 C:101 17.78 -8.99 C:12 23.81 -10.96 C:8 22.75 -11.87 C:9 21.54 -11.13 C:104 14.17 -9.68 C:107 11.75 -11.07 C:1 19.02 -11.13 C:4 19.02 -13.99 C:5 20.27 -13.28 C:10 20.27 -11.87 30 1 -2 2 19 1 29 3 -1 29 4 -2 31 5 -1 6 22 2 7 23 2 8 10 2 8 22 1 9 11 2 9 24 1 10 26 1 11 30 1 12 14 1 12 26 2 13 15 2 13 26 1 14 27 2 15 27 1 16 20 1 16 25 1 17 18 1 17 28 1 18 29 1 19 27 1 20 23 1 21 22 1 28 21 -1 23 24 1 24 25 2 25 31 1 28 31 1 29 30 1 30 31 1', '31 34 H 20.27 -14.30 C 9.33 -11.07 C 18.12 -15.04 C 19.77 -15.18 C 20.27 -10.42 O 17.78 -7.63 O 25.18 -11.28 C 16.59 -9.68 C 22.75 -13.28 C 15.41 -8.99 C 21.54 -13.99 C 14.17 -11.07 C 12.95 -8.99 C 12.95 -11.78 C 11.75 -9.68 C 21.88 -9.77 C 17.78 -11.87 C 17.78 -13.28 O 10.54 -11.78 O 23.27 -9.68 O 19.02 -9.68 C 17.78 -8.99 C 23.81 -10.96 C 22.75 -11.87 C 21.54 -11.13 C 14.17 -9.68 C 11.75 -11.07 C 19.02 -11.13 C 19.02 -13.99 C 20.27 -13.28 C 20.27 -11.87 30 1 -2 2 19 1 29 3 -1 29 4 -2 31 5 -1 6 22 2 7 23 2 8 10 2 8 22 1 9 11 2 9 24 1 10 26 1 11 30 1 12 14 1 12 26 2 13 15 2 13 26 1 14 27 2 15 27 1 16 20 1 16 25 1 17 18 1 17 28 1 18 29 1 19 27 1 20 23 1 21 22 1 28 21 -1 23 24 1 24 25 2 25 31 1 28 31 1 29 30 1 30 31 1', '31 34 H 20.27 -14.30 C:56 9.33 -11.07 C:23 18.12 -15.04 C:32 19.77 -15.18 C:11 20.27 -10.42 O 17.78 -7.63 O 25.18 -11.28 C:115 16.59 -9.68 C:118 22.75 -13.28 C:146 15.41 -8.99 C:131 21.54 -13.99 C:130 14.17 -11.07 C:130 12.95 -8.99 C:115 12.95 -11.78 C:115 11.75 -9.68 C:69 21.88 -9.77 C:24 17.78 -11.87 C:39 17.78 -13.28 O 10.54 -11.78 O 23.27 -9.68 O 19.02 -9.68 C:167 17.78 -8.99 C:172 23.81 -10.96 C:124 22.75 -11.87 C:167 21.54 -11.13 C:127 14.17 -9.68 C:162 11.75 -11.07 C:77 19.02 -11.13 C:33 19.02 -13.99 C:52 20.27 -13.28 C:42 20.27 -11.87 30 1 -2 2 19 1 29 3 -1 29 4 -2 31 5 -1 6 22 2 7 23 2 8 10 2 8 22 1 9 11 2 9 24 1 10 26 1 11 30 1 12 14 1 12 26 2 13 15 2 13 26 1 14 27 2 15 27 1 16 20 1 16 25 1 17 18 1 17 28 1 18 29 1 19 27 1 20 23 1 21 22 1 28 21 -1 23 24 1 24 25 2 25 31 1 28 31 1 29 30 1 30 31 1', 'C25H28O5', 408.272, 'C', 'tt08_2192_5', 4199, '', '', '1', 1, NULL, NULL),
(16756, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]13[C@@H:6](O)[CH:7]=[C:8]([CH:12]=O)[C@@H:9]([CH:11]=O)[C@@:10]1([CH3:15])[C@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:105][cH:106][c:107](O[CH3:107001])[cH:108][cH:109]2)[CH2:2][CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@@]13[C@@H](O)C=C(C=O)[C@@H](C=O)[C@@]1(C)[C@H](OC(=O)C=Cc2ccc(OC)cc2)CC[C@]3(C)C', '[H][C@@:51]13[C@@H:68](O)[CH:152]=[C:140]([CH:192]=O)[C@@H:54]([CH:202]=O)[C@@:44]1([CH3:17])[C@H:77](O[C:166](=O)[CH:115]=[CH:145][c:127]2[cH:130][cH:114][c:162](O[CH3:55])[cH:114][cH:130]2)[CH2:24][CH2:40][C@:33]3([CH3:36])[CH3:23]', '32 34 H 20.23 -14.23 C:107001 9.31 -11.00 C:13 19.73 -15.11 C:14 18.09 -14.97 C:15 20.23 -10.35 O 25.18 -11.71 O 22.71 -8.92 O 17.75 -7.56 O 21.50 -15.32 C:12 23.95 -11.06 C:11 21.50 -9.61 C:102 16.57 -9.61 C:103 15.39 -8.92 C:7 22.71 -13.21 C:105 12.94 -8.92 C:109 14.15 -11.00 C:106 11.74 -9.61 C:108 12.94 -11.71 C:2 17.75 -11.80 C:3 17.75 -13.21 O 10.52 -11.71 O 18.99 -9.61 C:101 17.75 -8.92 C:8 22.71 -11.80 C:104 14.15 -9.61 C:107 11.74 -11.00 C:6 21.50 -13.92 C:9 21.50 -11.06 C:1 18.99 -11.06 C:4 18.99 -13.92 C:5 20.23 -13.21 C:10 20.23 -11.80 31 1 -2 2 21 1 30 3 -2 30 4 -1 32 5 -1 6 10 2 7 11 2 8 23 2 27 9 -2 10 24 1 28 11 -2 12 13 2 12 23 1 13 25 1 14 24 2 14 27 1 15 17 2 15 25 1 16 18 1 16 25 2 17 26 1 18 26 2 19 20 1 19 29 1 20 30 1 21 26 1 22 23 1 29 22 -1 24 28 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', '32 34 H 20.23 -14.23 C 9.31 -11.00 C 19.73 -15.11 C 18.09 -14.97 C 20.23 -10.35 O 25.18 -11.71 O 22.71 -8.92 O 17.75 -7.56 O 21.50 -15.32 C 23.95 -11.06 C 21.50 -9.61 C 16.57 -9.61 C 15.39 -8.92 C 22.71 -13.21 C 12.94 -8.92 C 14.15 -11.00 C 11.74 -9.61 C 12.94 -11.71 C 17.75 -11.80 C 17.75 -13.21 O 10.52 -11.71 O 18.99 -9.61 C 17.75 -8.92 C 22.71 -11.80 C 14.15 -9.61 C 11.74 -11.00 C 21.50 -13.92 C 21.50 -11.06 C 18.99 -11.06 C 18.99 -13.92 C 20.23 -13.21 C 20.23 -11.80 31 1 -2 2 21 1 30 3 -2 30 4 -1 32 5 -1 6 10 2 7 11 2 8 23 2 27 9 -2 10 24 1 28 11 -2 12 13 2 12 23 1 13 25 1 14 24 2 14 27 1 15 17 2 15 25 1 16 18 1 16 25 2 17 26 1 18 26 2 19 20 1 19 29 1 20 30 1 21 26 1 22 23 1 29 22 -1 24 28 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', '32 34 H 20.23 -14.23 C:55 9.31 -11.00 C:36 19.73 -15.11 C:23 18.09 -14.97 C:17 20.23 -10.35 O 25.18 -11.71 O 22.71 -8.92 O 17.75 -7.56 O 21.50 -15.32 C:192 23.95 -11.06 C:202 21.50 -9.61 C:115 16.57 -9.61 C:145 15.39 -8.92 C:152 22.71 -13.21 C:130 12.94 -8.92 C:130 14.15 -11.00 C:114 11.74 -9.61 C:114 12.94 -11.71 C:24 17.75 -11.80 C:40 17.75 -13.21 O 10.52 -11.71 O 18.99 -9.61 C:166 17.75 -8.92 C:140 22.71 -11.80 C:127 14.15 -9.61 C:162 11.74 -11.00 C:68 21.50 -13.92 C:54 21.50 -11.06 C:77 18.99 -11.06 C:33 18.99 -13.92 C:51 20.23 -13.21 C:44 20.23 -11.80 31 1 -2 2 21 1 30 3 -2 30 4 -1 32 5 -1 6 10 2 7 11 2 8 23 2 27 9 -2 10 24 1 28 11 -2 12 13 2 12 23 1 13 25 1 14 24 2 14 27 1 15 17 2 15 25 1 16 18 1 16 25 2 17 26 1 18 26 2 19 20 1 19 29 1 20 30 1 21 26 1 22 23 1 29 22 -1 24 28 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', 'C25H30O6', 426.272, 'C', 'tt08_2192_6', 4199, '', '', '1', 1, NULL, NULL),
(16757, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]13[C@@H:6](O)[CH:7]=[C:8]([CH2:12]O)[C@H:9]([CH2:11]O)[C@@:10]1([CH3:15])[C@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:109][cH:108][c:107](O[CH3:107001])[cH:106][cH:105]2)[CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]13[C@@H](O)C=C(CO)[C@H](CO)[C@@]1(C)[C@H](OC(=O)C=Cc2ccc(OC)cc2)CC[C@@]3(C)C', '[H][C@@:55]13[C@@H:66](O)[CH:129]=[C:137]([CH2:63]O)[C@H:53]([CH2:60]O)[C@@:42]1([CH3:11])[C@H:81](O[C:166](=O)[CH:116]=[CH:144][c:127]2[cH:130][cH:114][c:161](O[CH3:55])[cH:114][cH:130]2)[CH2:25][CH2:40][C@@:33]3([CH3:23])[CH3:36]', '32 34 H 20.23 -14.23 C:107001 9.31 -11.00 C:14 18.09 -14.97 C:13 19.73 -15.11 C:15 20.23 -10.35 O 17.75 -7.56 O 25.18 -11.71 O 22.71 -8.92 O 21.50 -15.32 C:102 16.57 -9.61 C:103 15.39 -8.92 C:7 22.71 -13.21 C:109 14.15 -11.00 C:105 12.94 -8.92 C:108 12.94 -11.71 C:106 11.74 -9.61 C:12 23.95 -11.06 C:11 21.50 -9.61 C:2 17.75 -11.80 C:3 17.75 -13.21 O 10.52 -11.71 O 18.99 -9.61 C:101 17.75 -8.92 C:8 22.71 -11.80 C:104 14.15 -9.61 C:107 11.74 -11.00 C:6 21.50 -13.92 C:1 18.99 -11.06 C:9 21.50 -11.06 C:4 18.99 -13.92 C:5 20.23 -13.21 C:10 20.23 -11.80 31 1 -2 2 21 1 30 3 -1 30 4 -2 32 5 -1 6 23 2 7 17 1 8 18 1 27 9 -2 10 11 2 10 23 1 11 25 1 12 24 2 12 27 1 13 15 1 13 25 2 14 16 2 14 25 1 15 26 2 16 26 1 17 24 1 29 18 -1 19 20 1 19 28 1 20 30 1 21 26 1 22 23 1 28 22 -1 24 29 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', '32 34 H 20.23 -14.23 C 9.31 -11.00 C 18.09 -14.97 C 19.73 -15.11 C 20.23 -10.35 O 17.75 -7.56 O 25.18 -11.71 O 22.71 -8.92 O 21.50 -15.32 C 16.57 -9.61 C 15.39 -8.92 C 22.71 -13.21 C 14.15 -11.00 C 12.94 -8.92 C 12.94 -11.71 C 11.74 -9.61 C 23.95 -11.06 C 21.50 -9.61 C 17.75 -11.80 C 17.75 -13.21 O 10.52 -11.71 O 18.99 -9.61 C 17.75 -8.92 C 22.71 -11.80 C 14.15 -9.61 C 11.74 -11.00 C 21.50 -13.92 C 18.99 -11.06 C 21.50 -11.06 C 18.99 -13.92 C 20.23 -13.21 C 20.23 -11.80 31 1 -2 2 21 1 30 3 -1 30 4 -2 32 5 -1 6 23 2 7 17 1 8 18 1 27 9 -2 10 11 2 10 23 1 11 25 1 12 24 2 12 27 1 13 15 1 13 25 2 14 16 2 14 25 1 15 26 2 16 26 1 17 24 1 29 18 -1 19 20 1 19 28 1 20 30 1 21 26 1 22 23 1 28 22 -1 24 29 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', '32 34 H 20.23 -14.23 C:55 9.31 -11.00 C:23 18.09 -14.97 C:36 19.73 -15.11 C:11 20.23 -10.35 O 17.75 -7.56 O 25.18 -11.71 O 22.71 -8.92 O 21.50 -15.32 C:116 16.57 -9.61 C:144 15.39 -8.92 C:129 22.71 -13.21 C:130 14.15 -11.00 C:130 12.94 -8.92 C:114 12.94 -11.71 C:114 11.74 -9.61 C:63 23.95 -11.06 C:60 21.50 -9.61 C:25 17.75 -11.80 C:40 17.75 -13.21 O 10.52 -11.71 O 18.99 -9.61 C:166 17.75 -8.92 C:137 22.71 -11.80 C:127 14.15 -9.61 C:161 11.74 -11.00 C:66 21.50 -13.92 C:81 18.99 -11.06 C:53 21.50 -11.06 C:33 18.99 -13.92 C:55 20.23 -13.21 C:42 20.23 -11.80 31 1 -2 2 21 1 30 3 -1 30 4 -2 32 5 -1 6 23 2 7 17 1 8 18 1 27 9 -2 10 11 2 10 23 1 11 25 1 12 24 2 12 27 1 13 15 1 13 25 2 14 16 2 14 25 1 15 26 2 16 26 1 17 24 1 29 18 -1 19 20 1 19 28 1 20 30 1 21 26 1 22 23 1 28 22 -1 24 29 1 27 31 1 28 32 1 29 32 1 30 31 1 31 32 1', 'C25H34O6', 430.272, 'D', 'tt08_2192_7', 4199, '', '', '1', 1, NULL, NULL),
(16758, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@:9]13[C:11](=O)O[C@H:12](O)[C:8]1=[CH:7][C@H:6](O)[C@@:5]4([H])[C@:4]([CH3:14])([CH3:13])[CH2:3][CH2:2][C@@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:109][cH:108][c:107](O[CH3:107001])[cH:106][cH:105]2)[C@:10]34[CH3:15]', '[H][C@]13C(=O)O[C@H](O)C1=C[C@H](O)[C@@]4([H])[C@](C)(C)CC[C@@H](OC(=O)C=Cc2ccc(OC)cc2)[C@]34C', '[H][C@:57]13[C:168](=O)O[C@H:100](O)[C:145]1=[CH:136][C@H:68](O)[C@@:57]4([H])[C@:33]([CH3:23])([CH3:35])[CH2:40][CH2:24][C@@H:80](O[C:167](=O)[CH:116]=[CH:145][c:127]2[cH:130][cH:114][c:161](O[CH3:55])[cH:114][cH:130]2)[C@:44]34[CH3:11]', '34 37 H 21.57 -12.06 H 20.31 -14.25 C:107001 9.28 -10.98 C:14 18.13 -15.00 C:13 19.81 -15.14 C:15 20.31 -10.33 O 17.78 -7.52 O 21.00 -8.59 O 21.57 -15.35 O 25.23 -11.18 C:102 16.60 -9.58 C:103 15.42 -8.89 C:7 22.79 -13.22 C:109 14.17 -10.98 C:105 12.94 -8.89 C:108 12.94 -11.70 C:106 11.73 -9.58 C:2 17.78 -11.79 C:3 17.78 -13.22 O 10.50 -11.70 O 19.04 -9.58 O 23.31 -9.58 C:101 17.78 -8.89 C:11 21.91 -9.67 C:8 22.79 -11.79 C:104 14.17 -9.58 C:107 11.73 -10.98 C:6 21.57 -13.93 C:12 23.85 -10.86 C:1 19.04 -11.04 C:4 19.04 -13.93 C:9 21.57 -11.04 C:5 20.31 -13.22 C:10 20.31 -11.79 32 1 -2 33 2 -2 3 20 1 31 4 -1 31 5 -2 34 6 -1 7 23 2 8 24 2 28 9 -2 29 10 -2 11 12 2 11 23 1 12 26 1 13 25 2 13 28 1 14 16 1 14 26 2 15 17 2 15 26 1 16 27 2 17 27 1 18 19 1 18 30 1 19 31 1 20 27 1 21 23 1 30 21 -1 22 24 1 22 29 1 24 32 1 25 29 1 25 32 1 28 33 1 30 34 1 31 33 1 32 34 1 33 34 1', '34 37 H 21.57 -12.06 H 20.31 -14.25 C 9.28 -10.98 C 18.13 -15.00 C 19.81 -15.14 C 20.31 -10.33 O 17.78 -7.52 O 21.00 -8.59 O 21.57 -15.35 O 25.23 -11.18 C 16.60 -9.58 C 15.42 -8.89 C 22.79 -13.22 C 14.17 -10.98 C 12.94 -8.89 C 12.94 -11.70 C 11.73 -9.58 C 17.78 -11.79 C 17.78 -13.22 O 10.50 -11.70 O 19.04 -9.58 O 23.31 -9.58 C 17.78 -8.89 C 21.91 -9.67 C 22.79 -11.79 C 14.17 -9.58 C 11.73 -10.98 C 21.57 -13.93 C 23.85 -10.86 C 19.04 -11.04 C 19.04 -13.93 C 21.57 -11.04 C 20.31 -13.22 C 20.31 -11.79 32 1 -2 33 2 -2 3 20 1 31 4 -1 31 5 -2 34 6 -1 7 23 2 8 24 2 28 9 -2 29 10 -2 11 12 2 11 23 1 12 26 1 13 25 2 13 28 1 14 16 1 14 26 2 15 17 2 15 26 1 16 27 2 17 27 1 18 19 1 18 30 1 19 31 1 20 27 1 21 23 1 30 21 -1 22 24 1 22 29 1 24 32 1 25 29 1 25 32 1 28 33 1 30 34 1 31 33 1 32 34 1 33 34 1', '34 37 H 21.57 -12.06 H 20.31 -14.25 C:55 9.28 -10.98 C:23 18.13 -15.00 C:35 19.81 -15.14 C:11 20.31 -10.33 O 17.78 -7.52 O 21.00 -8.59 O 21.57 -15.35 O 25.23 -11.18 C:116 16.60 -9.58 C:145 15.42 -8.89 C:136 22.79 -13.22 C:130 14.17 -10.98 C:130 12.94 -8.89 C:114 12.94 -11.70 C:114 11.73 -9.58 C:24 17.78 -11.79 C:40 17.78 -13.22 O 10.50 -11.70 O 19.04 -9.58 O 23.31 -9.58 C:167 17.78 -8.89 C:168 21.91 -9.67 C:145 22.79 -11.79 C:127 14.17 -9.58 C:161 11.73 -10.98 C:68 21.57 -13.93 C:100 23.85 -10.86 C:80 19.04 -11.04 C:33 19.04 -13.93 C:57 21.57 -11.04 C:57 20.31 -13.22 C:44 20.31 -11.79 32 1 -2 33 2 -2 3 20 1 31 4 -1 31 5 -2 34 6 -1 7 23 2 8 24 2 28 9 -2 29 10 -2 11 12 2 11 23 1 12 26 1 13 25 2 13 28 1 14 16 1 14 26 2 15 17 2 15 26 1 16 27 2 17 27 1 18 19 1 18 30 1 19 31 1 20 27 1 21 23 1 30 21 -1 22 24 1 22 29 1 24 32 1 25 29 1 25 32 1 28 33 1 30 34 1 31 33 1 32 34 1 33 34 1', 'C25H30O7', 442.279, 'C', 'tt08_2192_9', 4199, '', '', '1', 1, NULL, NULL),
(16759, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@:9]13[C:11](=O)O[C@H:12](O)[C:8]1=[CH:7][C@H:6](O[C:6001]([CH3:6002])=O)[C@@:5]4([H])[C@@:4]([CH3:13])([CH3:14])[CH2:3][CH2:2][C@@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:105][cH:106][c:107](O[CH3:107001])[cH:108][cH:109]2)[C@:10]34[CH3:15]', '[H][C@]13C(=O)O[C@H](O)C1=C[C@H](OC(C)=O)[C@@]4([H])[C@@](C)(C)CC[C@@H](OC(=O)C=Cc2ccc(OC)cc2)[C@]34C', '[H][C@:57]13[C:166](=O)O[C@H:100](O)[C:145]1=[CH:132][C@H:70](O[C:170]([CH3:21])=O)[C@@:53]4([H])[C@@:34]([CH3:33])([CH3:22])[CH2:40][CH2:24][C@@H:79](O[C:167](=O)[CH:115]=[CH:145][c:129]2[cH:130][cH:114][c:162](O[CH3:55])[cH:114][cH:130]2)[C@:44]34[CH3:12]', '37 40 H 21.57 -10.99 H 20.30 -13.19 C:107001 9.25 -9.93 C:6002 22.78 -16.41 C:13 19.79 -14.09 C:14 18.13 -13.95 C:15 20.30 -9.27 O 24.00 -14.30 O 17.79 -6.46 O 21.01 -7.53 O 25.23 -10.14 C:102 16.59 -8.53 C:103 15.39 -7.83 C:7 22.78 -12.16 C:105 12.90 -7.83 C:109 14.13 -9.93 C:106 11.69 -8.53 C:108 12.90 -10.64 C:2 17.79 -10.73 C:3 17.79 -12.16 O 10.46 -10.64 O 21.57 -14.30 O 23.31 -8.53 O 19.04 -8.53 C:6001 22.78 -15.00 C:101 17.79 -7.83 C:11 21.91 -8.62 C:8 22.78 -10.73 C:104 14.13 -8.53 C:107 11.69 -9.93 C:12 23.85 -9.82 C:6 21.57 -12.88 C:1 19.04 -9.99 C:4 19.04 -12.88 C:9 21.57 -9.99 C:5 20.30 -12.16 C:10 20.30 -10.73 35 1 -2 36 2 -2 3 21 1 4 25 1 34 5 -2 34 6 -1 37 7 -1 8 25 2 9 26 2 10 27 2 31 11 -2 12 13 2 12 26 1 13 29 1 14 28 2 14 32 1 15 17 2 15 29 1 16 18 1 16 29 2 17 30 1 18 30 2 19 20 1 19 33 1 20 34 1 21 30 1 22 25 1 32 22 -2 23 27 1 23 31 1 24 26 1 33 24 -1 27 35 1 28 31 1 28 35 1 32 36 1 33 37 1 34 36 1 35 37 1 36 37 1', '37 40 H 21.57 -10.99 H 20.30 -13.19 C 9.25 -9.93 C 22.78 -16.41 C 19.79 -14.09 C 18.13 -13.95 C 20.30 -9.27 O 24.00 -14.30 O 17.79 -6.46 O 21.01 -7.53 O 25.23 -10.14 C 16.59 -8.53 C 15.39 -7.83 C 22.78 -12.16 C 12.90 -7.83 C 14.13 -9.93 C 11.69 -8.53 C 12.90 -10.64 C 17.79 -10.73 C 17.79 -12.16 O 10.46 -10.64 O 21.57 -14.30 O 23.31 -8.53 O 19.04 -8.53 C 22.78 -15.00 C 17.79 -7.83 C 21.91 -8.62 C 22.78 -10.73 C 14.13 -8.53 C 11.69 -9.93 C 23.85 -9.82 C 21.57 -12.88 C 19.04 -9.99 C 19.04 -12.88 C 21.57 -9.99 C 20.30 -12.16 C 20.30 -10.73 35 1 -2 36 2 -2 3 21 1 4 25 1 34 5 -2 34 6 -1 37 7 -1 8 25 2 9 26 2 10 27 2 31 11 -2 12 13 2 12 26 1 13 29 1 14 28 2 14 32 1 15 17 2 15 29 1 16 18 1 16 29 2 17 30 1 18 30 2 19 20 1 19 33 1 20 34 1 21 30 1 22 25 1 32 22 -2 23 27 1 23 31 1 24 26 1 33 24 -1 27 35 1 28 31 1 28 35 1 32 36 1 33 37 1 34 36 1 35 37 1 36 37 1', '37 40 H 21.57 -10.99 H 20.30 -13.19 C:55 9.25 -9.93 C:21 22.78 -16.41 C:33 19.79 -14.09 C:22 18.13 -13.95 C:12 20.30 -9.27 O 24.00 -14.30 O 17.79 -6.46 O 21.01 -7.53 O 25.23 -10.14 C:115 16.59 -8.53 C:145 15.39 -7.83 C:132 22.78 -12.16 C:130 12.90 -7.83 C:130 14.13 -9.93 C:114 11.69 -8.53 C:114 12.90 -10.64 C:24 17.79 -10.73 C:40 17.79 -12.16 O 10.46 -10.64 O 21.57 -14.30 O 23.31 -8.53 O 19.04 -8.53 C:170 22.78 -15.00 C:167 17.79 -7.83 C:166 21.91 -8.62 C:145 22.78 -10.73 C:129 14.13 -8.53 C:162 11.69 -9.93 C:100 23.85 -9.82 C:70 21.57 -12.88 C:79 19.04 -9.99 C:34 19.04 -12.88 C:57 21.57 -9.99 C:53 20.30 -12.16 C:44 20.30 -10.73 35 1 -2 36 2 -2 3 21 1 4 25 1 34 5 -2 34 6 -1 37 7 -1 8 25 2 9 26 2 10 27 2 31 11 -2 12 13 2 12 26 1 13 29 1 14 28 2 14 32 1 15 17 2 15 29 1 16 18 1 16 29 2 17 30 1 18 30 2 19 20 1 19 33 1 20 34 1 21 30 1 22 25 1 32 22 -2 23 27 1 23 31 1 24 26 1 33 24 -1 27 35 1 28 31 1 28 35 1 32 36 1 33 37 1 34 36 1 35 37 1 36 37 1', 'C27H32O8', 484.3, 'C', 'tt08_2192_10', 4199, '', '', '1', 1, NULL, NULL),
(16760, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@:9]13[C:11](=O)O[C@H:12](O[C:12001]([CH3:12002])=O)[C:8]1=[CH:7][C@H:6](O[C:6001]([CH3:6002])=O)[C@@:5]4([H])[C@:4]([CH3:14])([CH3:13])[CH2:3][CH2:2][C@@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:109][cH:108][c:107](O[CH3:107001])[cH:106][cH:105]2)[C@:10]34[CH3:15]', '[H][C@]13C(=O)O[C@H](OC(C)=O)C1=C[C@H](OC(C)=O)[C@@]4([H])[C@](C)(C)CC[C@@H](OC(=O)C=Cc2ccc(OC)cc2)[C@]34C', '[H][C@:54]13[C:166](=O)O[C@H:95](O[C:170]([CH3:21])=O)[C:136]1=[CH:131][C@H:70](O[C:170]([CH3:21])=O)[C@@:53]4([H])[C@:33]([CH3:22])([CH3:34])[CH2:40][CH2:24][C@@H:80](O[C:169](=O)[CH:115]=[CH:146][c:127]2[cH:130][cH:114][c:162](O[CH3:55])[cH:114][cH:130]2)[C@:44]34[CH3:11]', '40 43 H 20.68 -10.99 H 19.41 -13.19 C:107001 8.35 -9.93 C:6002 21.89 -16.41 C:12002 26.11 -11.80 C:14 17.24 -13.95 C:13 18.90 -14.09 C:15 19.41 -9.27 O 23.11 -14.30 O 23.79 -12.51 O 16.90 -6.46 O 20.12 -7.53 C:102 15.70 -8.53 C:103 14.50 -7.83 C:7 21.89 -12.16 C:109 13.24 -9.93 C:105 12.01 -7.83 C:108 12.01 -10.64 C:106 10.80 -8.53 C:2 16.90 -10.73 C:3 16.90 -12.16 O 9.56 -10.64 O 20.68 -14.30 O 24.34 -10.14 O 18.15 -8.53 O 22.42 -8.53 C:6001 21.89 -15.00 C:12001 24.75 -11.48 C:101 16.90 -7.83 C:11 21.02 -8.62 C:8 21.89 -10.73 C:104 13.24 -8.53 C:107 10.80 -9.93 C:6 20.68 -12.88 C:12 22.96 -9.82 C:1 18.15 -9.99 C:4 18.15 -12.88 C:9 20.68 -9.99 C:5 19.41 -12.16 C:10 19.41 -10.73 38 1 -2 39 2 -2 3 22 1 4 27 1 5 28 1 37 6 -1 37 7 -2 40 8 -1 9 27 2 10 28 2 11 29 2 12 30 2 13 14 2 13 29 1 14 32 1 15 31 2 15 34 1 16 18 1 16 32 2 17 19 2 17 32 1 18 33 2 19 33 1 20 21 1 20 36 1 21 37 1 22 33 1 23 27 1 34 23 -2 24 28 1 35 24 -2 25 29 1 36 25 -1 26 30 1 26 35 1 30 38 1 31 35 1 31 38 1 34 39 1 36 40 1 37 39 1 38 40 1 39 40 1', '40 43 H 20.68 -10.99 H 19.41 -13.19 C 8.35 -9.93 C 21.89 -16.41 C 26.11 -11.80 C 17.24 -13.95 C 18.90 -14.09 C 19.41 -9.27 O 23.11 -14.30 O 23.79 -12.51 O 16.90 -6.46 O 20.12 -7.53 C 15.70 -8.53 C 14.50 -7.83 C 21.89 -12.16 C 13.24 -9.93 C 12.01 -7.83 C 12.01 -10.64 C 10.80 -8.53 C 16.90 -10.73 C 16.90 -12.16 O 9.56 -10.64 O 20.68 -14.30 O 24.34 -10.14 O 18.15 -8.53 O 22.42 -8.53 C 21.89 -15.00 C 24.75 -11.48 C 16.90 -7.83 C 21.02 -8.62 C 21.89 -10.73 C 13.24 -8.53 C 10.80 -9.93 C 20.68 -12.88 C 22.96 -9.82 C 18.15 -9.99 C 18.15 -12.88 C 20.68 -9.99 C 19.41 -12.16 C 19.41 -10.73 38 1 -2 39 2 -2 3 22 1 4 27 1 5 28 1 37 6 -1 37 7 -2 40 8 -1 9 27 2 10 28 2 11 29 2 12 30 2 13 14 2 13 29 1 14 32 1 15 31 2 15 34 1 16 18 1 16 32 2 17 19 2 17 32 1 18 33 2 19 33 1 20 21 1 20 36 1 21 37 1 22 33 1 23 27 1 34 23 -2 24 28 1 35 24 -2 25 29 1 36 25 -1 26 30 1 26 35 1 30 38 1 31 35 1 31 38 1 34 39 1 36 40 1 37 39 1 38 40 1 39 40 1', '40 43 H 20.68 -10.99 H 19.41 -13.19 C:55 8.35 -9.93 C:21 21.89 -16.41 C:21 26.11 -11.80 C:22 17.24 -13.95 C:34 18.90 -14.09 C:11 19.41 -9.27 O 23.11 -14.30 O 23.79 -12.51 O 16.90 -6.46 O 20.12 -7.53 C:115 15.70 -8.53 C:146 14.50 -7.83 C:131 21.89 -12.16 C:130 13.24 -9.93 C:130 12.01 -7.83 C:114 12.01 -10.64 C:114 10.80 -8.53 C:24 16.90 -10.73 C:40 16.90 -12.16 O 9.56 -10.64 O 20.68 -14.30 O 24.34 -10.14 O 18.15 -8.53 O 22.42 -8.53 C:170 21.89 -15.00 C:170 24.75 -11.48 C:169 16.90 -7.83 C:166 21.02 -8.62 C:136 21.89 -10.73 C:127 13.24 -8.53 C:162 10.80 -9.93 C:70 20.68 -12.88 C:95 22.96 -9.82 C:80 18.15 -9.99 C:33 18.15 -12.88 C:54 20.68 -9.99 C:53 19.41 -12.16 C:44 19.41 -10.73 38 1 -2 39 2 -2 3 22 1 4 27 1 5 28 1 37 6 -1 37 7 -2 40 8 -1 9 27 2 10 28 2 11 29 2 12 30 2 13 14 2 13 29 1 14 32 1 15 31 2 15 34 1 16 18 1 16 32 2 17 19 2 17 32 1 18 33 2 19 33 1 20 21 1 20 36 1 21 37 1 22 33 1 23 27 1 34 23 -2 24 28 1 35 24 -2 25 29 1 36 25 -1 26 30 1 26 35 1 30 38 1 31 35 1 31 38 1 34 39 1 36 40 1 37 39 1 38 40 1 39 40 1', 'C29H34O9', 526.321, 'C', 'tt08_2192_11', 4199, 'Error. Signals C-13 and C-15 interchanged', '', '1', 1, NULL, NULL),
(16761, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@:9]14[C:11](=O)O[C@H:12](O)[C:8]1=[CH:7][C@H:6](O[C:201](=O)[c:202]2[cH:203][cH:204][c:205](Br)[cH:206][cH:207]2)[C@@:5]5([H])[C@:4]([CH3:14])([CH3:13])[CH2:3][CH2:2][C@@H:1](O[C:101](=O)[CH:102]=[CH:103][c:104]3[cH:109][cH:108][c:107](O[CH3:107001])[cH:106][cH:105]3)[C@:10]45[CH3:15]', '[H][C@]14C(=O)O[C@H](O)C1=C[C@H](OC(=O)c2ccc(Br)cc2)[C@@]5([H])[C@](C)(C)CC[C@@H](OC(=O)C=Cc3ccc(OC)cc3)[C@]45C', '[H][C@:54]14[C:166](=O)O[C@H:95](O)[C:128]1=[CH:137][C@H:68](O[C:9999](=O)[c:127]2[cH:132][cH:131][c:164](Br)[cH:131][cH:132]2)[C@@:57]5([H])[C@:34]([CH3:22])([CH3:35])[CH2:40][CH2:25][C@@H:80](O[C:166](=O)[CH:114]=[CH:145][c:129]3[cH:130][cH:114][c:162](O[CH3:55])[cH:114][cH:130]3)[C@:40]45[CH3:11]', '43 47 H 21.56 -8.86 H 20.29 -11.06 C:107001 9.25 -7.80 C:14 18.12 -11.82 C:13 19.78 -11.96 C:15 20.29 -7.14 O 17.78 -4.33 O 23.99 -12.17 O 21.00 -5.40 O 25.22 -8.01 Br 22.79 -18.47 C:102 16.58 -6.40 C:103 15.38 -5.70 C:7 22.79 -10.03 C:204 23.99 -16.38 C:206 21.56 -16.38 C:109 14.14 -7.80 C:105 12.91 -5.70 C:108 12.91 -8.51 C:106 11.70 -6.40 C:203 23.99 -14.98 C:207 21.56 -14.98 C:2 17.78 -8.60 C:3 17.78 -10.03 O 10.46 -8.51 O 19.03 -6.40 O 21.56 -12.17 O 23.30 -6.40 C:101 17.78 -5.70 C:201 22.78 -12.88 C:11 21.90 -6.49 C:8 22.79 -8.60 C:205 22.78 -17.07 C:104 14.14 -6.40 C:107 11.70 -7.80 C:202 22.78 -14.27 C:12 23.84 -7.69 C:6 21.56 -10.75 C:1 19.03 -7.86 C:4 19.03 -10.75 C:9 21.56 -7.86 C:5 20.29 -10.03 C:10 20.29 -8.60 41 1 -2 42 2 -2 3 25 1 40 4 -1 40 5 -2 43 6 -1 7 29 2 8 30 2 9 31 2 37 10 -2 11 33 1 12 13 2 12 29 1 13 34 1 14 32 2 14 38 1 15 21 2 15 33 1 16 22 1 16 33 2 17 19 1 17 34 2 18 20 2 18 34 1 19 35 2 20 35 1 21 36 1 22 36 2 23 24 1 23 39 1 24 40 1 25 35 1 26 29 1 39 26 -1 27 30 1 38 27 -2 28 31 1 28 37 1 30 36 1 31 41 1 32 37 1 32 41 1 38 42 1 39 43 1 40 42 1 41 43 1 42 43 1', '43 47 H 21.56 -8.86 H 20.29 -11.06 C 9.25 -7.80 C 18.12 -11.82 C 19.78 -11.96 C 20.29 -7.14 O 17.78 -4.33 O 23.99 -12.17 O 21.00 -5.40 O 25.22 -8.01 Br 22.79 -18.47 C 16.58 -6.40 C 15.38 -5.70 C 22.79 -10.03 C 23.99 -16.38 C 21.56 -16.38 C 14.14 -7.80 C 12.91 -5.70 C 12.91 -8.51 C 11.70 -6.40 C 23.99 -14.98 C 21.56 -14.98 C 17.78 -8.60 C 17.78 -10.03 O 10.46 -8.51 O 19.03 -6.40 O 21.56 -12.17 O 23.30 -6.40 C 17.78 -5.70 C 22.78 -12.88 C 21.90 -6.49 C 22.79 -8.60 C 22.78 -17.07 C 14.14 -6.40 C 11.70 -7.80 C 22.78 -14.27 C 23.84 -7.69 C 21.56 -10.75 C 19.03 -7.86 C 19.03 -10.75 C 21.56 -7.86 C 20.29 -10.03 C 20.29 -8.60 41 1 -2 42 2 -2 3 25 1 40 4 -1 40 5 -2 43 6 -1 7 29 2 8 30 2 9 31 2 37 10 -2 11 33 1 12 13 2 12 29 1 13 34 1 14 32 2 14 38 1 15 21 2 15 33 1 16 22 1 16 33 2 17 19 1 17 34 2 18 20 2 18 34 1 19 35 2 20 35 1 21 36 1 22 36 2 23 24 1 23 39 1 24 40 1 25 35 1 26 29 1 39 26 -1 27 30 1 38 27 -2 28 31 1 28 37 1 30 36 1 31 41 1 32 37 1 32 41 1 38 42 1 39 43 1 40 42 1 41 43 1 42 43 1', '43 47 H 21.56 -8.86 H 20.29 -11.06 C:55 9.25 -7.80 C:22 18.12 -11.82 C:35 19.78 -11.96 C:11 20.29 -7.14 O 17.78 -4.33 O 23.99 -12.17 O 21.00 -5.40 O 25.22 -8.01 Br 22.79 -18.47 C:114 16.58 -6.40 C:145 15.38 -5.70 C:137 22.79 -10.03 C:131 23.99 -16.38 C:131 21.56 -16.38 C:130 14.14 -7.80 C:130 12.91 -5.70 C:114 12.91 -8.51 C:114 11.70 -6.40 C:132 23.99 -14.98 C:132 21.56 -14.98 C:25 17.78 -8.60 C:40 17.78 -10.03 O 10.46 -8.51 O 19.03 -6.40 O 21.56 -12.17 O 23.30 -6.40 C:166 17.78 -5.70 C 22.78 -12.88 C:166 21.90 -6.49 C:128 22.79 -8.60 C:164 22.78 -17.07 C:129 14.14 -6.40 C:162 11.70 -7.80 C:127 22.78 -14.27 C:95 23.84 -7.69 C:68 21.56 -10.75 C:80 19.03 -7.86 C:34 19.03 -10.75 C:54 21.56 -7.86 C:57 20.29 -10.03 C:40 20.29 -8.60 41 1 -2 42 2 -2 3 25 1 40 4 -1 40 5 -2 43 6 -1 7 29 2 8 30 2 9 31 2 37 10 -2 11 33 1 12 13 2 12 29 1 13 34 1 14 32 2 14 38 1 15 21 2 15 33 1 16 22 1 16 33 2 17 19 1 17 34 2 18 20 2 18 34 1 19 35 2 20 35 1 21 36 1 22 36 2 23 24 1 23 39 1 24 40 1 25 35 1 26 29 1 39 26 -1 27 30 1 38 27 -2 28 31 1 28 37 1 30 36 1 31 41 1 32 37 1 32 41 1 38 42 1 39 43 1 40 42 1 41 43 1 42 43 1', 'C32H33BrO8', 625.258, 'C', 'tt08_2192_12', 4199, '', '', '1', 1, NULL, NULL),
(16762, 'Tricalysioside P', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]24[CH2:6][CH2:7][C@:8]15[CH2:15][C@H:16]([CH2:17]O)[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:2][CH2:3][C@@:4]4([CH3:18])[C:19](=O)O)[CH2:14]5', '[H][C@]24CC[C@]15C[C@H](CO)[C@@H](CC[C@@]1([H])[C@]2(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]4(C)C(=O)O)C5', '[H][C@:56]24[CH2:23][CH2:44][C@:46]15[CH2:46][C@H:39]([CH2:67]O)[C@@H:45]([CH2:33][CH2:22][C@@:55]1([H])[C@:46]2([CH3:13])[C@@H:93](O[C@@H:105]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]3O)[CH2:28][CH2:37][C@@:44]4([CH3:29])[C:181](=O)O)[CH2:39]5', '37 41 H 17.01 -14.78 H 18.23 -12.66 C:18 16.73 -15.53 C:20 17.01 -10.98 O 13.42 -15.05 O 23.59 -9.56 O 10.87 -11.65 O 15.06 -16.79 O 13.33 -6.06 O 10.87 -7.46 O 15.76 -7.46 C:17 23.17 -10.98 C:106 10.87 -10.25 C:12 19.45 -9.56 C:2 14.55 -12.38 C:11 18.23 -10.25 C:3 14.55 -13.77 C:6 18.23 -14.50 C:7 19.45 -13.77 C:15 21.00 -12.66 C:14 20.65 -11.65 O 13.42 -10.25 O 15.76 -10.25 C:19 14.75 -15.44 C:16 21.80 -11.26 C:13 20.65 -10.25 C:103 13.33 -7.46 C:104 12.12 -8.16 C:102 14.55 -8.16 C:105 12.12 -9.56 C:101 14.55 -9.56 C:1 15.76 -11.67 C:5 17.01 -13.77 C:9 18.23 -11.65 C:4 15.76 -14.50 C:10 17.01 -12.38 C:8 19.45 -12.38 33 1 -1 34 2 -1 35 3 -1 36 4 -2 5 24 2 6 12 1 7 13 1 8 24 1 27 9 -2 28 10 -1 29 11 -1 25 12 -1 30 13 -2 14 16 1 14 26 1 15 17 1 15 32 1 16 34 1 17 35 1 18 19 1 18 33 1 19 37 1 20 25 1 20 37 1 26 21 -2 37 21 -2 22 30 1 22 31 1 31 23 -2 32 23 -2 35 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 36 1 33 35 1 33 36 1 34 36 1 34 37 1', '37 41 H 17.01 -14.78 H 18.23 -12.66 C 16.73 -15.53 C 17.01 -10.98 O 13.42 -15.05 O 23.59 -9.56 O 10.87 -11.65 O 15.06 -16.79 O 13.33 -6.06 O 10.87 -7.46 O 15.76 -7.46 C 23.17 -10.98 C 10.87 -10.25 C 19.45 -9.56 C 14.55 -12.38 C 18.23 -10.25 C 14.55 -13.77 C 18.23 -14.50 C 19.45 -13.77 C 21.00 -12.66 C 20.65 -11.65 O 13.42 -10.25 O 15.76 -10.25 C 14.75 -15.44 C 21.80 -11.26 C 20.65 -10.25 C 13.33 -7.46 C 12.12 -8.16 C 14.55 -8.16 C 12.12 -9.56 C 14.55 -9.56 C 15.76 -11.67 C 17.01 -13.77 C 18.23 -11.65 C 15.76 -14.50 C 17.01 -12.38 C 19.45 -12.38 33 1 -1 34 2 -1 35 3 -1 36 4 -2 5 24 2 6 12 1 7 13 1 8 24 1 27 9 -2 28 10 -1 29 11 -1 25 12 -1 30 13 -2 14 16 1 14 26 1 15 17 1 15 32 1 16 34 1 17 35 1 18 19 1 18 33 1 19 37 1 20 25 1 20 37 1 26 21 -2 37 21 -2 22 30 1 22 31 1 31 23 -2 32 23 -2 35 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 36 1 33 35 1 33 36 1 34 36 1 34 37 1', '37 41 H 17.01 -14.78 H 18.23 -12.66 C:29 16.73 -15.53 C:13 17.01 -10.98 O 13.42 -15.05 O 23.59 -9.56 O 10.87 -11.65 O 15.06 -16.79 O 13.33 -6.06 O 10.87 -7.46 O 15.76 -7.46 C:67 23.17 -10.98 C:63 10.87 -10.25 C:33 19.45 -9.56 C:28 14.55 -12.38 C:22 18.23 -10.25 C:37 14.55 -13.77 C:23 18.23 -14.50 C:44 19.45 -13.77 C:46 21.00 -12.66 C:39 20.65 -11.65 O 13.42 -10.25 O 15.76 -10.25 C:181 14.75 -15.44 C:39 21.80 -11.26 C:45 20.65 -10.25 C:79 13.33 -7.46 C:72 12.12 -8.16 C:76 14.55 -8.16 C:78 12.12 -9.56 C:105 14.55 -9.56 C:93 15.76 -11.67 C:56 17.01 -13.77 C:55 18.23 -11.65 C:44 15.76 -14.50 C:46 17.01 -12.38 C:46 19.45 -12.38 33 1 -1 34 2 -1 35 3 -1 36 4 -2 5 24 2 6 12 1 7 13 1 8 24 1 27 9 -2 28 10 -1 29 11 -1 25 12 -1 30 13 -2 14 16 1 14 26 1 15 17 1 15 32 1 16 34 1 17 35 1 18 19 1 18 33 1 19 37 1 20 25 1 20 37 1 26 21 -2 37 21 -2 22 30 1 22 31 1 31 23 -2 32 23 -2 35 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 36 1 33 35 1 33 36 1 34 36 1 34 37 1', 'C26H42O9', 498.289, 'P', 'cpb07_1600_4', 4200, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16763, 'Tricalysioside Q', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]24[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:2][CH2:3][C@@:4]4([CH3:18])[C:19](=O)O)[C@@:16](O)([CH2:17]O)[C@@H:15]5O', '[H][C@]24CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]4(C)C(=O)O)[C@@](O)(CO)[C@@H]5O', '[H][C@:56]24[CH2:22][CH2:38][C@@:49]15[CH2:37][C@H:43]([CH2:27][CH2:21][C@@:55]1([H])[C@:46]2([CH3:13])[C@@H:93](O[C@@H:105]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]3O)[CH2:28][CH2:37][C@@:44]4([CH3:29])[C:180](=O)O)[C@@:82](O)([CH2:66]O)[C@@H:82]5O', '39 43 H 17.37 -14.80 H 18.59 -12.67 C:18 17.09 -15.55 C:20 17.37 -10.99 O 13.77 -15.07 O 11.22 -11.66 O 22.31 -8.85 O 15.41 -16.81 O 13.68 -6.07 O 11.22 -7.47 O 16.11 -7.47 O 21.93 -13.96 O 23.32 -12.05 C:106 11.22 -10.26 C:17 22.94 -10.10 C:12 19.81 -9.57 C:2 14.90 -12.39 C:11 18.59 -10.26 C:6 18.59 -14.52 C:3 14.90 -13.79 C:7 19.81 -13.79 C:14 21.01 -11.66 O 13.77 -10.26 O 16.11 -10.26 C:19 15.10 -15.46 C:103 13.68 -7.47 C:104 12.47 -8.17 C:102 14.90 -8.17 C:105 12.47 -9.57 C:13 21.01 -10.26 C:101 14.90 -9.57 C:1 16.11 -11.66 C:15 21.36 -12.67 C:5 17.37 -13.79 C:9 18.59 -11.66 C:4 16.11 -14.52 C:16 22.16 -11.27 C:10 17.37 -12.39 C:8 19.81 -12.39 34 1 -1 35 2 -1 36 3 -1 38 4 -2 5 25 2 6 14 1 7 15 1 8 25 1 26 9 -2 27 10 -1 28 11 -1 33 12 -2 37 13 -2 29 14 -2 37 15 -1 16 18 1 16 30 1 17 20 1 17 32 1 18 35 1 19 21 1 19 34 1 20 36 1 21 39 1 30 22 -2 39 22 -2 23 29 1 23 31 1 31 24 -2 32 24 -2 36 25 -2 26 27 1 26 28 1 27 29 1 28 31 1 30 37 1 32 38 1 33 37 1 33 39 1 34 36 1 34 38 1 35 38 1 35 39 1', '39 43 H 17.37 -14.80 H 18.59 -12.67 C 17.09 -15.55 C 17.37 -10.99 O 13.77 -15.07 O 11.22 -11.66 O 22.31 -8.85 O 15.41 -16.81 O 13.68 -6.07 O 11.22 -7.47 O 16.11 -7.47 O 21.93 -13.96 O 23.32 -12.05 C 11.22 -10.26 C 22.94 -10.10 C 19.81 -9.57 C 14.90 -12.39 C 18.59 -10.26 C 18.59 -14.52 C 14.90 -13.79 C 19.81 -13.79 C 21.01 -11.66 O 13.77 -10.26 O 16.11 -10.26 C 15.10 -15.46 C 13.68 -7.47 C 12.47 -8.17 C 14.90 -8.17 C 12.47 -9.57 C 21.01 -10.26 C 14.90 -9.57 C 16.11 -11.66 C 21.36 -12.67 C 17.37 -13.79 C 18.59 -11.66 C 16.11 -14.52 C 22.16 -11.27 C 17.37 -12.39 C 19.81 -12.39 34 1 -1 35 2 -1 36 3 -1 38 4 -2 5 25 2 6 14 1 7 15 1 8 25 1 26 9 -2 27 10 -1 28 11 -1 33 12 -2 37 13 -2 29 14 -2 37 15 -1 16 18 1 16 30 1 17 20 1 17 32 1 18 35 1 19 21 1 19 34 1 20 36 1 21 39 1 30 22 -2 39 22 -2 23 29 1 23 31 1 31 24 -2 32 24 -2 36 25 -2 26 27 1 26 28 1 27 29 1 28 31 1 30 37 1 32 38 1 33 37 1 33 39 1 34 36 1 34 38 1 35 38 1 35 39 1', '39 43 H 17.37 -14.80 H 18.59 -12.67 C:29 17.09 -15.55 C:13 17.37 -10.99 O 13.77 -15.07 O 11.22 -11.66 O 22.31 -8.85 O 15.41 -16.81 O 13.68 -6.07 O 11.22 -7.47 O 16.11 -7.47 O 21.93 -13.96 O 23.32 -12.05 C:63 11.22 -10.26 C:66 22.94 -10.10 C:27 19.81 -9.57 C:28 14.90 -12.39 C:21 18.59 -10.26 C:22 18.59 -14.52 C:37 14.90 -13.79 C:38 19.81 -13.79 C:37 21.01 -11.66 O 13.77 -10.26 O 16.11 -10.26 C:180 15.10 -15.46 C:79 13.68 -7.47 C:72 12.47 -8.17 C:76 14.90 -8.17 C:78 12.47 -9.57 C:43 21.01 -10.26 C:105 14.90 -9.57 C:93 16.11 -11.66 C:82 21.36 -12.67 C:56 17.37 -13.79 C:55 18.59 -11.66 C:44 16.11 -14.52 C:82 22.16 -11.27 C:46 17.37 -12.39 C:49 19.81 -12.39 34 1 -1 35 2 -1 36 3 -1 38 4 -2 5 25 2 6 14 1 7 15 1 8 25 1 26 9 -2 27 10 -1 28 11 -1 33 12 -2 37 13 -2 29 14 -2 37 15 -1 16 18 1 16 30 1 17 20 1 17 32 1 18 35 1 19 21 1 19 34 1 20 36 1 21 39 1 30 22 -2 39 22 -2 23 29 1 23 31 1 31 24 -2 32 24 -2 36 25 -2 26 27 1 26 28 1 27 29 1 28 31 1 30 37 1 32 38 1 33 37 1 33 39 1 34 36 1 34 38 1 35 38 1 35 39 1', 'C26H42O11', 530.287, 'P', 'cpb07_1600_5', 4200, '', '', '1', 47, NULL, NULL),
(16764, 'Tricalysioside R', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C@@:16](O)([CH2:17]O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C@@H:15]5O[C:15001]([CH3:15002])=O', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@]3(C)C)[C@@](O)(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]5OC(C)=O', '[H][C@:55]23[CH2:20][CH2:40][C@@:48]15[CH2:37][C@H:45]([CH2:26][CH2:19][C@@:56]1([H])[C@:39]2([CH3:18])[CH2:36][CH2:28][C@@H:78](O)[C@:39]3([CH3:16])[CH3:29])[C@@:81](O)([CH2:76]O[C@@H:106]4O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]4O)[C@@H:84]5O[C:171]([CH3:21])=O', '40 44 H 14.13 -16.02 H 15.34 -13.89 C:15002 18.41 -17.58 C:19 11.83 -16.67 C:18 13.84 -16.76 C:20 14.13 -12.19 O 16.45 -16.16 O 24.11 -8.89 O 10.40 -15.68 O 19.29 -5.26 O 22.02 -5.26 O 17.74 -7.67 O 20.05 -13.27 C:106 23.42 -7.73 C:2 11.63 -13.61 C:12 16.54 -10.77 C:11 15.34 -11.46 C:1 12.85 -12.88 C:6 15.34 -15.74 C:7 16.54 -15.01 C:17 19.67 -11.30 C:14 17.74 -12.88 O 19.04 -10.05 O 18.66 -15.16 O 21.20 -8.89 C:15001 17.84 -16.30 C:3 11.63 -15.01 C:103 19.95 -6.49 C:104 21.34 -6.49 C:102 19.18 -7.67 C:105 22.02 -7.73 C:13 17.74 -11.46 C:101 19.81 -8.89 C:15 18.09 -13.89 C:4 12.85 -15.74 C:5 14.13 -15.01 C:9 15.34 -12.88 C:10 14.13 -13.61 C:16 18.89 -12.48 C:8 16.54 -13.61 36 1 -1 37 2 -1 3 26 1 35 4 -2 35 5 -1 38 6 -2 7 26 2 8 14 1 27 9 -2 28 10 -1 29 11 -2 30 12 -2 39 13 -2 31 14 -1 15 18 1 15 27 1 16 17 1 16 32 1 17 37 1 18 38 1 19 20 1 19 36 1 20 40 1 21 23 1 39 21 -1 32 22 -2 40 22 -2 33 23 -1 24 26 1 34 24 -2 25 31 1 25 33 1 27 35 1 28 29 1 28 30 1 29 31 1 30 33 1 32 39 1 34 39 1 34 40 1 35 36 1 36 38 1 37 38 1 37 40 1', '40 44 H 14.13 -16.02 H 15.34 -13.89 C 18.41 -17.58 C 11.83 -16.67 C 13.84 -16.76 C 14.13 -12.19 O 16.45 -16.16 O 24.11 -8.89 O 10.40 -15.68 O 19.29 -5.26 O 22.02 -5.26 O 17.74 -7.67 O 20.05 -13.27 C 23.42 -7.73 C 11.63 -13.61 C 16.54 -10.77 C 15.34 -11.46 C 12.85 -12.88 C 15.34 -15.74 C 16.54 -15.01 C 19.67 -11.30 C 17.74 -12.88 O 19.04 -10.05 O 18.66 -15.16 O 21.20 -8.89 C 17.84 -16.30 C 11.63 -15.01 C 19.95 -6.49 C 21.34 -6.49 C 19.18 -7.67 C 22.02 -7.73 C 17.74 -11.46 C 19.81 -8.89 C 18.09 -13.89 C 12.85 -15.74 C 14.13 -15.01 C 15.34 -12.88 C 14.13 -13.61 C 18.89 -12.48 C 16.54 -13.61 36 1 -1 37 2 -1 3 26 1 35 4 -2 35 5 -1 38 6 -2 7 26 2 8 14 1 27 9 -2 28 10 -1 29 11 -2 30 12 -2 39 13 -2 31 14 -1 15 18 1 15 27 1 16 17 1 16 32 1 17 37 1 18 38 1 19 20 1 19 36 1 20 40 1 21 23 1 39 21 -1 32 22 -2 40 22 -2 33 23 -1 24 26 1 34 24 -2 25 31 1 25 33 1 27 35 1 28 29 1 28 30 1 29 31 1 30 33 1 32 39 1 34 39 1 34 40 1 35 36 1 36 38 1 37 38 1 37 40 1', '40 44 H 14.13 -16.02 H 15.34 -13.89 C:21 18.41 -17.58 C:16 11.83 -16.67 C:29 13.84 -16.76 C:18 14.13 -12.19 O 16.45 -16.16 O 24.11 -8.89 O 10.40 -15.68 O 19.29 -5.26 O 22.02 -5.26 O 17.74 -7.67 O 20.05 -13.27 C:63 23.42 -7.73 C:28 11.63 -13.61 C:26 16.54 -10.77 C:19 15.34 -11.46 C:36 12.85 -12.88 C:20 15.34 -15.74 C:40 16.54 -15.01 C:76 19.67 -11.30 C:37 17.74 -12.88 O 19.04 -10.05 O 18.66 -15.16 O 21.20 -8.89 C:171 17.84 -16.30 C:78 11.63 -15.01 C:79 19.95 -6.49 C:72 21.34 -6.49 C:75 19.18 -7.67 C:78 22.02 -7.73 C:45 17.74 -11.46 C:106 19.81 -8.89 C:84 18.09 -13.89 C:39 12.85 -15.74 C:55 14.13 -15.01 C:56 15.34 -12.88 C:39 14.13 -13.61 C:81 18.89 -12.48 C:48 16.54 -13.61 36 1 -1 37 2 -1 3 26 1 35 4 -2 35 5 -1 38 6 -2 7 26 2 8 14 1 27 9 -2 28 10 -1 29 11 -2 30 12 -2 39 13 -2 31 14 -1 15 18 1 15 27 1 16 17 1 16 32 1 17 37 1 18 38 1 19 20 1 19 36 1 20 40 1 21 23 1 39 21 -1 32 22 -2 40 22 -2 33 23 -1 24 26 1 34 24 -2 25 31 1 25 33 1 27 35 1 28 29 1 28 30 1 29 31 1 30 33 1 32 39 1 34 39 1 34 40 1 35 36 1 36 38 1 37 38 1 37 40 1', 'C28H46O10', 542.31, 'P', 'cpb07_1600_6', 4200, '', '', '1', 47, NULL, NULL),
(16765, 'Tricalysioside S', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O)[C@@:16](O)([CH2:17]O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C@@H:15]5O[C:15001]([CH3:15002])=O', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)CO)[C@@](O)(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]5OC(C)=O', '[H][C@:57]23[CH2:20][CH2:36][C@@:48]15[CH2:37][C@H:45]([CH2:26][CH2:19][C@@:56]1([H])[C@:39]2([CH3:19])[CH2:41][CH2:19][CH2:37][C@@:40]3([CH3:28])[CH2:64]O)[C@@:81](O)([CH2:75]O[C@@H:106]4O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]4O)[C@@H:84]5O[C:173]([CH3:21])=O', '40 44 H 13.53 -15.81 H 14.74 -13.69 C:15002 17.81 -17.37 C:18 13.24 -16.55 C:20 13.53 -11.99 O 15.85 -15.95 O 23.51 -8.67 O 11.55 -17.82 O 18.69 -5.04 O 21.42 -5.04 O 17.14 -7.45 O 19.45 -13.07 C:2 11.03 -13.41 C:106 22.82 -7.51 C:19 11.23 -16.46 C:12 15.94 -10.56 C:3 11.03 -14.80 C:1 12.25 -12.68 C:11 14.74 -11.25 C:6 14.74 -15.53 C:7 15.94 -14.80 C:17 19.07 -11.09 C:14 17.14 -12.68 O 18.44 -9.84 O 18.06 -14.95 O 20.60 -8.67 C:15001 17.24 -16.09 C:103 19.35 -6.27 C:104 20.74 -6.27 C:102 18.58 -7.45 C:105 21.42 -7.51 C:13 17.14 -11.25 C:101 19.21 -8.67 C:15 17.49 -13.69 C:4 12.25 -15.53 C:5 13.53 -14.80 C:9 14.74 -12.68 C:10 13.53 -13.41 C:16 18.29 -12.28 C:8 15.94 -13.41 36 1 -1 37 2 -1 3 27 1 35 4 -1 38 5 -2 6 27 2 7 14 1 8 15 1 28 9 -1 29 10 -2 30 11 -2 39 12 -2 13 17 1 13 18 1 31 14 -1 35 15 -2 16 19 1 16 32 1 17 35 1 18 38 1 19 37 1 20 21 1 20 36 1 21 40 1 22 24 1 39 22 -1 32 23 -2 40 23 -2 33 24 -1 25 27 1 34 25 -2 26 31 1 26 33 1 28 29 1 28 30 1 29 31 1 30 33 1 32 39 1 34 39 1 34 40 1 35 36 1 36 38 1 37 38 1 37 40 1', '40 44 H 13.53 -15.81 H 14.74 -13.69 C 17.81 -17.37 C 13.24 -16.55 C 13.53 -11.99 O 15.85 -15.95 O 23.51 -8.67 O 11.55 -17.82 O 18.69 -5.04 O 21.42 -5.04 O 17.14 -7.45 O 19.45 -13.07 C 11.03 -13.41 C 22.82 -7.51 C 11.23 -16.46 C 15.94 -10.56 C 11.03 -14.80 C 12.25 -12.68 C 14.74 -11.25 C 14.74 -15.53 C 15.94 -14.80 C 19.07 -11.09 C 17.14 -12.68 O 18.44 -9.84 O 18.06 -14.95 O 20.60 -8.67 C 17.24 -16.09 C 19.35 -6.27 C 20.74 -6.27 C 18.58 -7.45 C 21.42 -7.51 C 17.14 -11.25 C 19.21 -8.67 C 17.49 -13.69 C 12.25 -15.53 C 13.53 -14.80 C 14.74 -12.68 C 13.53 -13.41 C 18.29 -12.28 C 15.94 -13.41 36 1 -1 37 2 -1 3 27 1 35 4 -1 38 5 -2 6 27 2 7 14 1 8 15 1 28 9 -1 29 10 -2 30 11 -2 39 12 -2 13 17 1 13 18 1 31 14 -1 35 15 -2 16 19 1 16 32 1 17 35 1 18 38 1 19 37 1 20 21 1 20 36 1 21 40 1 22 24 1 39 22 -1 32 23 -2 40 23 -2 33 24 -1 25 27 1 34 25 -2 26 31 1 26 33 1 28 29 1 28 30 1 29 31 1 30 33 1 32 39 1 34 39 1 34 40 1 35 36 1 36 38 1 37 38 1 37 40 1', '40 44 H 13.53 -15.81 H 14.74 -13.69 C:21 17.81 -17.37 C:28 13.24 -16.55 C:19 13.53 -11.99 O 15.85 -15.95 O 23.51 -8.67 O 11.55 -17.82 O 18.69 -5.04 O 21.42 -5.04 O 17.14 -7.45 O 19.45 -13.07 C:19 11.03 -13.41 C:63 22.82 -7.51 C:64 11.23 -16.46 C:26 15.94 -10.56 C:37 11.03 -14.80 C:41 12.25 -12.68 C:19 14.74 -11.25 C:20 14.74 -15.53 C:36 15.94 -14.80 C:75 19.07 -11.09 C:37 17.14 -12.68 O 18.44 -9.84 O 18.06 -14.95 O 20.60 -8.67 C:173 17.24 -16.09 C:79 19.35 -6.27 C:72 20.74 -6.27 C:75 18.58 -7.45 C:78 21.42 -7.51 C:45 17.14 -11.25 C:106 19.21 -8.67 C:84 17.49 -13.69 C:40 12.25 -15.53 C:57 13.53 -14.80 C:56 14.74 -12.68 C:39 13.53 -13.41 C:81 18.29 -12.28 C:48 15.94 -13.41 36 1 -1 37 2 -1 3 27 1 35 4 -1 38 5 -2 6 27 2 7 14 1 8 15 1 28 9 -1 29 10 -2 30 11 -2 39 12 -2 13 17 1 13 18 1 31 14 -1 35 15 -2 16 19 1 16 32 1 17 35 1 18 38 1 19 37 1 20 21 1 20 36 1 21 40 1 22 24 1 39 22 -1 32 23 -2 40 23 -2 33 24 -1 25 27 1 34 25 -2 26 31 1 26 33 1 28 29 1 28 30 1 29 31 1 30 33 1 32 39 1 34 39 1 34 40 1 35 36 1 36 38 1 37 38 1 37 40 1', 'C28H46O10', 542.31, 'P', 'cpb07_1600_7', 4200, '', '', '1', 47, NULL, NULL),
(16766, 'Tricalysioside T', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C@@:16](O)([CH2:17]O)[C@@H:15]5O', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](O)(CO)[C@@H]5O', '[H][C@:57]23[CH2:20][CH2:37][C@@:48]15[CH2:37][C@H:44]([CH2:26][CH2:19][C@@:56]1([H])[C@:40]2([CH3:18])[CH2:41][CH2:19][CH2:36][C@@:38]3([CH3:28])[CH2:73]O[C@@H:106]4O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]4O)[C@@:81](O)([CH2:66]O)[C@@H:83]5O', '37 41 H 17.77 -11.10 H 18.98 -8.98 C:18 17.48 -11.84 C:20 17.77 -7.28 O 10.76 -12.85 O 22.69 -5.14 O 14.40 -17.75 O 11.72 -16.93 O 16.45 -15.83 O 22.31 -10.24 O 23.70 -8.36 C:2 15.28 -8.70 C:106 11.09 -14.22 C:17 23.32 -6.38 C:12 20.18 -5.86 C:3 15.28 -10.09 C:1 16.45 -7.97 C:11 18.98 -6.54 C:6 18.98 -10.82 C:7 20.18 -10.09 C:19 15.48 -11.75 C:14 21.39 -7.97 O 15.80 -13.11 O 13.45 -13.66 C:13 21.39 -6.54 C:103 14.09 -16.38 C:104 12.75 -15.98 C:102 15.11 -15.43 C:105 12.43 -14.62 C:15 21.74 -8.98 C:101 14.79 -14.07 C:4 16.50 -10.82 C:5 17.77 -10.09 C:9 18.98 -7.97 C:16 22.54 -7.57 C:10 17.77 -8.70 C:8 20.18 -8.70 33 1 -1 34 2 -1 32 3 -1 36 4 -2 5 13 1 6 14 1 26 7 -1 27 8 -2 28 9 -2 30 10 -2 35 11 -2 12 16 1 12 17 1 29 13 -1 35 14 -1 15 18 1 15 25 1 16 32 1 17 36 1 18 34 1 19 20 1 19 33 1 20 37 1 21 23 1 32 21 -2 25 22 -2 37 22 -2 31 23 -1 24 29 1 24 31 1 25 35 1 26 27 1 26 28 1 27 29 1 28 31 1 30 35 1 30 37 1 32 33 1 33 36 1 34 36 1 34 37 1', '37 41 H 17.77 -11.10 H 18.98 -8.98 C 17.48 -11.84 C 17.77 -7.28 O 10.76 -12.85 O 22.69 -5.14 O 14.40 -17.75 O 11.72 -16.93 O 16.45 -15.83 O 22.31 -10.24 O 23.70 -8.36 C 15.28 -8.70 C 11.09 -14.22 C 23.32 -6.38 C 20.18 -5.86 C 15.28 -10.09 C 16.45 -7.97 C 18.98 -6.54 C 18.98 -10.82 C 20.18 -10.09 C 15.48 -11.75 C 21.39 -7.97 O 15.80 -13.11 O 13.45 -13.66 C 21.39 -6.54 C 14.09 -16.38 C 12.75 -15.98 C 15.11 -15.43 C 12.43 -14.62 C 21.74 -8.98 C 14.79 -14.07 C 16.50 -10.82 C 17.77 -10.09 C 18.98 -7.97 C 22.54 -7.57 C 17.77 -8.70 C 20.18 -8.70 33 1 -1 34 2 -1 32 3 -1 36 4 -2 5 13 1 6 14 1 26 7 -1 27 8 -2 28 9 -2 30 10 -2 35 11 -2 12 16 1 12 17 1 29 13 -1 35 14 -1 15 18 1 15 25 1 16 32 1 17 36 1 18 34 1 19 20 1 19 33 1 20 37 1 21 23 1 32 21 -2 25 22 -2 37 22 -2 31 23 -1 24 29 1 24 31 1 25 35 1 26 27 1 26 28 1 27 29 1 28 31 1 30 35 1 30 37 1 32 33 1 33 36 1 34 36 1 34 37 1', '37 41 H 17.77 -11.10 H 18.98 -8.98 C:28 17.48 -11.84 C:18 17.77 -7.28 O 10.76 -12.85 O 22.69 -5.14 O 14.40 -17.75 O 11.72 -16.93 O 16.45 -15.83 O 22.31 -10.24 O 23.70 -8.36 C:19 15.28 -8.70 C:63 11.09 -14.22 C:66 23.32 -6.38 C:26 20.18 -5.86 C:36 15.28 -10.09 C:41 16.45 -7.97 C:19 18.98 -6.54 C:20 18.98 -10.82 C:37 20.18 -10.09 C:73 15.48 -11.75 C:37 21.39 -7.97 O 15.80 -13.11 O 13.45 -13.66 C:44 21.39 -6.54 C:79 14.09 -16.38 C:72 12.75 -15.98 C:75 15.11 -15.43 C:78 12.43 -14.62 C:83 21.74 -8.98 C:106 14.79 -14.07 C:38 16.50 -10.82 C:57 17.77 -10.09 C:56 18.98 -7.97 C:81 22.54 -7.57 C:40 17.77 -8.70 C:48 20.18 -8.70 33 1 -1 34 2 -1 32 3 -1 36 4 -2 5 13 1 6 14 1 26 7 -1 27 8 -2 28 9 -2 30 10 -2 35 11 -2 12 16 1 12 17 1 29 13 -1 35 14 -1 15 18 1 15 25 1 16 32 1 17 36 1 18 34 1 19 20 1 19 33 1 20 37 1 21 23 1 32 21 -2 25 22 -2 37 22 -2 31 23 -1 24 29 1 24 31 1 25 35 1 26 27 1 26 28 1 27 29 1 28 31 1 30 35 1 30 37 1 32 33 1 33 36 1 34 36 1 34 37 1', 'C26H44O9', 500.289, 'P', 'cpb07_1600_8', 4200, '', '', '1', 47, NULL, NULL),
(16767, 'Tricalysioside U', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]13[CH2:6][CH2:7][C@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][C@H:3](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[C@:4]3([CH3:18])[CH3:19]', '[H][C@@]13CC[C@](C)(O)[C@H](CCC(C)=CCO)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]3(C)C', '[H][C@@:56]13[CH2:21][CH2:45][C@:73]([CH3:25])(O)[C@H:62]([CH2:25][CH2:44][C:139]([CH3:17])=[CH:125][CH2:59]O)[C@@:39]1([CH3:16])[CH2:38][CH2:27][C@H:89](O[C@@H:107]2O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]2O)[C@:40]3([CH3:28])[CH3:17]', '35 37 H 19.05 -15.58 C:16 20.28 -8.20 C:17 22.22 -11.99 C:18 18.77 -16.39 C:19 16.87 -16.39 C:20 19.05 -11.77 O 23.95 -6.09 O 14.17 -10.43 O 10.53 -15.33 O 10.53 -12.53 O 12.94 -16.74 O 22.91 -13.23 C:14 22.73 -8.20 C:15 22.73 -6.79 C:106 12.94 -11.13 C:12 21.51 -10.34 C:11 20.28 -11.04 C:2 16.59 -13.23 C:1 17.82 -12.53 C:7 21.51 -14.63 C:6 20.28 -15.33 O 14.17 -13.23 O 15.38 -15.33 C:13 21.51 -8.91 C:103 11.74 -14.63 C:104 11.74 -13.23 C:102 12.94 -15.33 C:105 12.94 -12.53 C:101 14.17 -14.63 C:3 16.59 -14.63 C:9 20.28 -12.53 C:8 21.51 -13.23 C:4 17.82 -15.33 C:5 19.05 -14.63 C:10 19.05 -13.23 34 1 -2 2 24 1 32 3 -2 33 4 -2 33 5 -1 35 6 -1 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 32 12 -1 13 14 1 13 24 2 28 15 -1 16 17 1 16 24 1 31 17 -1 18 19 1 18 30 1 19 35 1 20 21 1 20 32 1 21 34 1 22 28 1 22 29 1 29 23 -1 30 23 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 33 1 31 32 1 31 35 1 33 34 1 34 35 1', '35 37 H 19.05 -15.58 C 20.28 -8.20 C 22.22 -11.99 C 18.77 -16.39 C 16.87 -16.39 C 19.05 -11.77 O 23.95 -6.09 O 14.17 -10.43 O 10.53 -15.33 O 10.53 -12.53 O 12.94 -16.74 O 22.91 -13.23 C 22.73 -8.20 C 22.73 -6.79 C 12.94 -11.13 C 21.51 -10.34 C 20.28 -11.04 C 16.59 -13.23 C 17.82 -12.53 C 21.51 -14.63 C 20.28 -15.33 O 14.17 -13.23 O 15.38 -15.33 C 21.51 -8.91 C 11.74 -14.63 C 11.74 -13.23 C 12.94 -15.33 C 12.94 -12.53 C 14.17 -14.63 C 16.59 -14.63 C 20.28 -12.53 C 21.51 -13.23 C 17.82 -15.33 C 19.05 -14.63 C 19.05 -13.23 34 1 -2 2 24 1 32 3 -2 33 4 -2 33 5 -1 35 6 -1 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 32 12 -1 13 14 1 13 24 2 28 15 -1 16 17 1 16 24 1 31 17 -1 18 19 1 18 30 1 19 35 1 20 21 1 20 32 1 21 34 1 22 28 1 22 29 1 29 23 -1 30 23 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 33 1 31 32 1 31 35 1 33 34 1 34 35 1', '35 37 H 19.05 -15.58 C:17 20.28 -8.20 C:25 22.22 -11.99 C:28 18.77 -16.39 C:17 16.87 -16.39 C:16 19.05 -11.77 O 23.95 -6.09 O 14.17 -10.43 O 10.53 -15.33 O 10.53 -12.53 O 12.94 -16.74 O 22.91 -13.23 C:125 22.73 -8.20 C:59 22.73 -6.79 C:63 12.94 -11.13 C:44 21.51 -10.34 C:25 20.28 -11.04 C:27 16.59 -13.23 C:38 17.82 -12.53 C:45 21.51 -14.63 C:21 20.28 -15.33 O 14.17 -13.23 O 15.38 -15.33 C:139 21.51 -8.91 C:79 11.74 -14.63 C:72 11.74 -13.23 C:76 12.94 -15.33 C:78 12.94 -12.53 C:107 14.17 -14.63 C:89 16.59 -14.63 C:62 20.28 -12.53 C:73 21.51 -13.23 C:40 17.82 -15.33 C:56 19.05 -14.63 C:39 19.05 -13.23 34 1 -2 2 24 1 32 3 -2 33 4 -2 33 5 -1 35 6 -1 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 32 12 -1 13 14 1 13 24 2 28 15 -1 16 17 1 16 24 1 31 17 -1 18 19 1 18 30 1 19 35 1 20 21 1 20 32 1 21 34 1 22 28 1 22 29 1 29 23 -1 30 23 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 33 1 31 32 1 31 35 1 33 34 1 34 35 1', 'C26H46O8', 486.281, 'P', 'cpb07_1600_9', 4200, '', '', '1', 47, NULL, NULL),
(16768, 'Tricalysiol U', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:5]12[CH2:6][CH2:7][C@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@](C)(O)[C@H](CCC(C)=CCO)[C@@]1(C)CC[C@H](O)[C@@]2(C)C', '[H][C@@:56]12[CH2:21][CH2:45][C@:73]([CH3:25])(O)[C@H:62]([CH2:25][CH2:44][C:139]([CH3:17])=[CH:126][CH2:59]O)[C@@:39]1([CH3:16])[CH2:39][CH2:28][C@H:78](O)[C@@:40]2([CH3:16])[CH3:29]', '24 25 H 16.66 -15.76 C:16 17.89 -8.38 C:17 19.83 -12.17 C:19 14.47 -16.57 C:18 16.38 -16.57 C:20 16.66 -11.95 O 21.56 -6.27 O 12.98 -15.51 O 20.52 -13.42 C:14 20.34 -8.38 C:15 20.34 -6.97 C:12 19.12 -10.52 C:11 17.89 -11.22 C:2 14.19 -13.42 C:7 19.12 -14.82 C:1 15.43 -12.71 C:6 17.89 -15.51 C:13 19.12 -9.09 C:3 14.19 -14.82 C:9 17.89 -12.71 C:8 19.12 -13.42 C:4 15.43 -15.51 C:5 16.66 -14.82 C:10 16.66 -13.42 23 1 -2 2 18 1 21 3 -2 22 4 -1 22 5 -2 24 6 -1 7 11 1 19 8 -1 21 9 -1 10 11 1 10 18 2 12 13 1 12 18 1 20 13 -1 14 16 1 14 19 1 15 17 1 15 21 1 16 24 1 17 23 1 19 22 1 20 21 1 20 24 1 22 23 1 23 24 1', '24 25 H 16.66 -15.76 C 17.89 -8.38 C 19.83 -12.17 C 14.47 -16.57 C 16.38 -16.57 C 16.66 -11.95 O 21.56 -6.27 O 12.98 -15.51 O 20.52 -13.42 C 20.34 -8.38 C 20.34 -6.97 C 19.12 -10.52 C 17.89 -11.22 C 14.19 -13.42 C 19.12 -14.82 C 15.43 -12.71 C 17.89 -15.51 C 19.12 -9.09 C 14.19 -14.82 C 17.89 -12.71 C 19.12 -13.42 C 15.43 -15.51 C 16.66 -14.82 C 16.66 -13.42 23 1 -2 2 18 1 21 3 -2 22 4 -1 22 5 -2 24 6 -1 7 11 1 19 8 -1 21 9 -1 10 11 1 10 18 2 12 13 1 12 18 1 20 13 -1 14 16 1 14 19 1 15 17 1 15 21 1 16 24 1 17 23 1 19 22 1 20 21 1 20 24 1 22 23 1 23 24 1', '24 25 H 16.66 -15.76 C:17 17.89 -8.38 C:25 19.83 -12.17 C:16 14.47 -16.57 C:29 16.38 -16.57 C:16 16.66 -11.95 O 21.56 -6.27 O 12.98 -15.51 O 20.52 -13.42 C:126 20.34 -8.38 C:59 20.34 -6.97 C:44 19.12 -10.52 C:25 17.89 -11.22 C:28 14.19 -13.42 C:45 19.12 -14.82 C:39 15.43 -12.71 C:21 17.89 -15.51 C:139 19.12 -9.09 C:78 14.19 -14.82 C:62 17.89 -12.71 C:73 19.12 -13.42 C:40 15.43 -15.51 C:56 16.66 -14.82 C:39 16.66 -13.42 23 1 -2 2 18 1 21 3 -2 22 4 -1 22 5 -2 24 6 -1 7 11 1 19 8 -1 21 9 -1 10 11 1 10 18 2 12 13 1 12 18 1 20 13 -1 14 16 1 14 19 1 15 17 1 15 21 1 16 24 1 17 23 1 19 22 1 20 21 1 20 24 1 22 23 1 23 24 1', 'C20H36O3', 324.22, 'P', 'cpb07_1600_9a', 4200, '', '', '1', 47, NULL, NULL),
(16769, 'Phyllostacin F', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]2[C:16](=[CH2:17])[C:15](=O)[C@@:8]1([C@@H:14]2O)[C@@:7]5(O)O[CH2:20][C@:10]34[CH2:1][CH2:2][C@@H:3](O)[C@@:4]([CH3:18])([CH3:19])[C@@:5]4([H])[C@@H:6]5O', '[H][C@@]13CC[C@@H]2C(=C)C(=O)[C@@]1([C@@H]2O)[C@@]5(O)OC[C@]34CC[C@@H](O)[C@@](C)(C)[C@@]4([H])[C@@H]5O', '[H][C@@:52]13[CH2:17][CH2:30][C@@H:44]2[C:153](=[CH2:120])[C:209](=O)[C@@:63]1([C@@H:74]2O)[C@@:99]5(O)O[CH2:66][C@:36]34[CH2:29][CH2:28][C@@H:78](O)[C@@:40]([CH3:29])([CH3:16])[C@@:61]4([H])[C@@H:74]5O', '28 32 H 17.20 -11.37 H 16.03 -13.41 C:17 21.97 -9.77 C:18 15.76 -14.14 C:19 13.85 -14.05 O 20.38 -12.75 O 12.48 -13.12 O 21.28 -11.09 O 17.20 -14.50 O 19.55 -13.12 C:2 13.67 -11.09 C:12 18.36 -8.37 C:11 17.20 -9.05 C:1 14.83 -10.43 C:20 16.03 -9.77 O 17.08 -11.97 C:16 20.63 -10.05 C:15 19.87 -11.48 C:3 13.67 -12.44 C:13 19.55 -9.05 C:14 19.55 -10.43 C:6 17.20 -13.12 C:4 14.83 -13.12 C:9 17.20 -10.43 C:5 16.03 -12.44 C:7 18.36 -12.44 C:10 16.03 -11.09 C:8 18.36 -11.09 24 1 -1 25 2 -1 3 17 2 23 4 -1 23 5 -2 6 18 2 19 7 -2 21 8 -1 22 9 -1 26 10 -1 11 14 1 11 19 1 12 13 1 12 20 1 13 24 1 14 27 1 15 16 1 27 15 -2 16 26 1 17 18 1 17 20 1 18 28 1 19 23 1 20 21 -2 28 21 -2 22 25 1 22 26 1 23 25 1 24 27 1 24 28 1 25 27 1 26 28 1', '28 32 H 17.20 -11.37 H 16.03 -13.41 C 21.97 -9.77 C 15.76 -14.14 C 13.85 -14.05 O 20.38 -12.75 O 12.48 -13.12 O 21.28 -11.09 O 17.20 -14.50 O 19.55 -13.12 C 13.67 -11.09 C 18.36 -8.37 C 17.20 -9.05 C 14.83 -10.43 C 16.03 -9.77 O 17.08 -11.97 C 20.63 -10.05 C 19.87 -11.48 C 13.67 -12.44 C 19.55 -9.05 C 19.55 -10.43 C 17.20 -13.12 C 14.83 -13.12 C 17.20 -10.43 C 16.03 -12.44 C 18.36 -12.44 C 16.03 -11.09 C 18.36 -11.09 24 1 -1 25 2 -1 3 17 2 23 4 -1 23 5 -2 6 18 2 19 7 -2 21 8 -1 22 9 -1 26 10 -1 11 14 1 11 19 1 12 13 1 12 20 1 13 24 1 14 27 1 15 16 1 27 15 -2 16 26 1 17 18 1 17 20 1 18 28 1 19 23 1 20 21 -2 28 21 -2 22 25 1 22 26 1 23 25 1 24 27 1 24 28 1 25 27 1 26 28 1', '28 32 H 17.20 -11.37 H 16.03 -13.41 C:120 21.97 -9.77 C:29 15.76 -14.14 C:16 13.85 -14.05 O 20.38 -12.75 O 12.48 -13.12 O 21.28 -11.09 O 17.20 -14.50 O 19.55 -13.12 C:28 13.67 -11.09 C:30 18.36 -8.37 C:17 17.20 -9.05 C:29 14.83 -10.43 C:66 16.03 -9.77 O 17.08 -11.97 C:153 20.63 -10.05 C:209 19.87 -11.48 C:78 13.67 -12.44 C:44 19.55 -9.05 C:74 19.55 -10.43 C:74 17.20 -13.12 C:40 14.83 -13.12 C:52 17.20 -10.43 C:61 16.03 -12.44 C:99 18.36 -12.44 C:36 16.03 -11.09 C:63 18.36 -11.09 24 1 -1 25 2 -1 3 17 2 23 4 -1 23 5 -2 6 18 2 19 7 -2 21 8 -1 22 9 -1 26 10 -1 11 14 1 11 19 1 12 13 1 12 20 1 13 24 1 14 27 1 15 16 1 27 15 -2 16 26 1 17 18 1 17 20 1 18 28 1 19 23 1 20 21 -2 28 21 -2 22 25 1 22 26 1 23 25 1 24 27 1 24 28 1 25 27 1 26 28 1', 'C20H28O6', 364.226, 'P', 'hca08_1130_1', 4201, '', '', '1', 47, NULL, NULL),
(16770, 'Phyllostacin G', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([C:15](=O)[C:16]2=[CH2:17])[C@@:7]5(O)O[CH2:20][C@:10]34[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:19])([CH3:18])[C@@:5]4([H])[C@@H:6]5O', '[H][C@@]13CC[C@H]2C[C@]1(C(=O)C2=C)[C@@]5(O)OC[C@]34CC[C@@H](O)[C@](C)(C)[C@@]4([H])[C@@H]5O', '[H][C@@:50]13[CH2:17][CH2:30][C@H:35]2[CH2:27][C@:60]1([C:211](=O)[C:154]2=[CH2:116])[C@@:96]5(O)O[CH2:66][C@:37]34[CH2:29][CH2:28][C@@H:78](O)[C@:40]([CH3:16])([CH3:29])[C@@:62]4([H])[C@@H:74]5O', '27 31 H 17.26 -11.34 H 16.06 -13.42 C:17 22.07 -9.71 C:19 13.87 -14.07 C:18 15.80 -14.16 O 20.51 -12.62 O 12.47 -13.14 O 17.26 -14.51 O 19.60 -13.14 C:12 18.43 -8.30 C:2 13.67 -11.07 C:11 17.26 -8.99 C:1 14.87 -10.38 C:20 16.06 -9.71 C:14 19.60 -10.38 O 17.10 -11.94 C:16 20.72 -9.98 C:15 19.93 -11.34 C:13 19.60 -8.99 C:3 13.67 -12.46 C:6 17.26 -13.15 C:4 14.87 -13.15 C:9 17.26 -10.38 C:5 16.06 -12.46 C:7 18.43 -12.46 C:10 16.06 -11.07 C:8 18.43 -11.07 23 1 -1 24 2 -1 3 17 2 22 4 -2 22 5 -1 6 18 2 20 7 -2 21 8 -1 25 9 -1 10 12 1 10 19 1 11 13 1 11 20 1 12 23 1 13 26 1 14 16 1 26 14 -2 19 15 -2 27 15 -2 16 25 1 17 18 1 17 19 1 18 27 1 20 22 1 21 24 1 21 25 1 22 24 1 23 26 1 23 27 1 24 26 1 25 27 1', '27 31 H 17.26 -11.34 H 16.06 -13.42 C 22.07 -9.71 C 13.87 -14.07 C 15.80 -14.16 O 20.51 -12.62 O 12.47 -13.14 O 17.26 -14.51 O 19.60 -13.14 C 18.43 -8.30 C 13.67 -11.07 C 17.26 -8.99 C 14.87 -10.38 C 16.06 -9.71 C 19.60 -10.38 O 17.10 -11.94 C 20.72 -9.98 C 19.93 -11.34 C 19.60 -8.99 C 13.67 -12.46 C 17.26 -13.15 C 14.87 -13.15 C 17.26 -10.38 C 16.06 -12.46 C 18.43 -12.46 C 16.06 -11.07 C 18.43 -11.07 23 1 -1 24 2 -1 3 17 2 22 4 -2 22 5 -1 6 18 2 20 7 -2 21 8 -1 25 9 -1 10 12 1 10 19 1 11 13 1 11 20 1 12 23 1 13 26 1 14 16 1 26 14 -2 19 15 -2 27 15 -2 16 25 1 17 18 1 17 19 1 18 27 1 20 22 1 21 24 1 21 25 1 22 24 1 23 26 1 23 27 1 24 26 1 25 27 1', '27 31 H 17.26 -11.34 H 16.06 -13.42 C:116 22.07 -9.71 C:16 13.87 -14.07 C:29 15.80 -14.16 O 20.51 -12.62 O 12.47 -13.14 O 17.26 -14.51 O 19.60 -13.14 C:30 18.43 -8.30 C:28 13.67 -11.07 C:17 17.26 -8.99 C:29 14.87 -10.38 C:66 16.06 -9.71 C:27 19.60 -10.38 O 17.10 -11.94 C:154 20.72 -9.98 C:211 19.93 -11.34 C:35 19.60 -8.99 C:78 13.67 -12.46 C:74 17.26 -13.15 C:40 14.87 -13.15 C:50 17.26 -10.38 C:62 16.06 -12.46 C:96 18.43 -12.46 C:37 16.06 -11.07 C:60 18.43 -11.07 23 1 -1 24 2 -1 3 17 2 22 4 -2 22 5 -1 6 18 2 20 7 -2 21 8 -1 25 9 -1 10 12 1 10 19 1 11 13 1 11 20 1 12 23 1 13 26 1 14 16 1 26 14 -2 19 15 -2 27 15 -2 16 25 1 17 18 1 17 19 1 18 27 1 20 22 1 21 24 1 21 25 1 22 24 1 23 26 1 23 27 1 24 26 1 25 27 1', 'C20H28O5', 348.227, 'P', 'hca08_1130_2', 4201, '', '', '1', 47, NULL, NULL),
(16771, 'Phyllostacin H', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]15[CH2:11][CH2:12][C@@H:13]2[C@@H:16]([CH2:17]O[CH3:17001])[C:15](=O)[C@:8]13[CH:14]2O[CH:20]4O[C@@:7]3(O)[C@@H:6](O)[C@:5]6([H])[C@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@@:10]456', '[H][C@@]15CC[C@@H]2[C@@H](COC)C(=O)[C@]13C2OC4O[C@@]3(O)[C@@H](O)[C@]6([H])[C@](C)(C)CCC[C@@]456', '[H][C@@:44]15[CH2:17][CH2:19][C@@H:36]2[C@@H:53]([CH2:69]O[CH3:59])[C:211](=O)[C@:58]13[CH:71]2O[CH:98]4O[C@@:102]3(O)[C@@H:73](O)[C@:64]6([H])[C@:34]([CH3:32])([CH3:23])[CH2:41][CH2:19][CH2:27][C@@:43]456', '29 34 H 15.79 -11.46 H 14.61 -13.50 C:17001 22.26 -8.26 C:18 14.35 -14.23 C:19 12.45 -14.13 O 18.97 -12.71 O 15.79 -14.57 O 18.08 -13.23 C:2 12.26 -11.19 C:12 16.93 -8.48 C:17 20.50 -9.86 C:3 12.26 -12.56 C:11 15.79 -9.15 C:1 13.43 -10.52 O 20.92 -8.56 O 16.93 -9.86 O 15.63 -12.05 C:15 18.40 -11.46 C:16 19.18 -10.12 C:6 15.79 -13.23 C:20 14.61 -9.86 C:13 18.08 -9.15 C:14 18.08 -10.52 C:4 13.43 -13.23 C:9 15.79 -10.52 C:5 14.61 -12.56 C:7 16.93 -12.56 C:10 14.61 -11.19 C:8 16.93 -11.19 25 1 -1 26 2 -1 3 15 1 24 4 -1 24 5 -2 6 18 2 20 7 -1 27 8 -1 9 12 1 9 14 1 10 13 1 10 22 1 11 15 1 19 11 -1 12 24 1 13 25 1 14 28 1 16 21 1 16 23 1 17 21 1 17 27 1 18 19 1 18 29 1 19 22 1 20 26 1 20 27 1 28 21 -2 22 23 -2 29 23 -2 24 26 1 25 28 1 25 29 1 26 28 1 27 29 1', '29 34 H 15.79 -11.46 H 14.61 -13.50 C 22.26 -8.26 C 14.35 -14.23 C 12.45 -14.13 O 18.97 -12.71 O 15.79 -14.57 O 18.08 -13.23 C 12.26 -11.19 C 16.93 -8.48 C 20.50 -9.86 C 12.26 -12.56 C 15.79 -9.15 C 13.43 -10.52 O 20.92 -8.56 O 16.93 -9.86 O 15.63 -12.05 C 18.40 -11.46 C 19.18 -10.12 C 15.79 -13.23 C 14.61 -9.86 C 18.08 -9.15 C 18.08 -10.52 C 13.43 -13.23 C 15.79 -10.52 C 14.61 -12.56 C 16.93 -12.56 C 14.61 -11.19 C 16.93 -11.19 25 1 -1 26 2 -1 3 15 1 24 4 -1 24 5 -2 6 18 2 20 7 -1 27 8 -1 9 12 1 9 14 1 10 13 1 10 22 1 11 15 1 19 11 -1 12 24 1 13 25 1 14 28 1 16 21 1 16 23 1 17 21 1 17 27 1 18 19 1 18 29 1 19 22 1 20 26 1 20 27 1 28 21 -2 22 23 -2 29 23 -2 24 26 1 25 28 1 25 29 1 26 28 1 27 29 1', '29 34 H 15.79 -11.46 H 14.61 -13.50 C:59 22.26 -8.26 C:32 14.35 -14.23 C:23 12.45 -14.13 O 18.97 -12.71 O 15.79 -14.57 O 18.08 -13.23 C:19 12.26 -11.19 C:19 16.93 -8.48 C:69 20.50 -9.86 C:41 12.26 -12.56 C:17 15.79 -9.15 C:27 13.43 -10.52 O 20.92 -8.56 O 16.93 -9.86 O 15.63 -12.05 C:211 18.40 -11.46 C:53 19.18 -10.12 C:73 15.79 -13.23 C:98 14.61 -9.86 C:36 18.08 -9.15 C:71 18.08 -10.52 C:34 13.43 -13.23 C:44 15.79 -10.52 C:64 14.61 -12.56 C:102 16.93 -12.56 C:43 14.61 -11.19 C:58 16.93 -11.19 25 1 -1 26 2 -1 3 15 1 24 4 -1 24 5 -2 6 18 2 20 7 -1 27 8 -1 9 12 1 9 14 1 10 13 1 10 22 1 11 15 1 19 11 -1 12 24 1 13 25 1 14 28 1 16 21 1 16 23 1 17 21 1 17 27 1 18 19 1 18 29 1 19 22 1 20 26 1 20 27 1 28 21 -2 22 23 -2 29 23 -2 24 26 1 25 28 1 25 29 1 26 28 1 27 29 1', 'C21H30O6', 378.237, 'P', 'hca08_1130_3', 4201, '', '', '1', 47, NULL, NULL),
(16772, 'Phyllostacin I', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@H:6](O)[C@:7]5(O)O[CH:20]1O[CH:14]4[C@@H:13]6[CH2:12][C@@H:11](O)[C@@:9]([H])([C@@:10]12[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@:8]45[C@H:15](O)[C:16]6=[CH2:17]', '[H][C@]23[C@H](O)[C@]5(O)OC1OC4[C@@H]6C[C@@H](O)[C@@]([H])([C@@]12CCC[C@]3(C)C)[C@]45[C@H](O)C6=C', '[H][C@:65]23[C@H:73](O)[C@:101]5(O)O[CH:98]1O[CH:71]4[C@@H:42]6[CH2:37][C@@H:64](O)[C@@:49]([H])([C@@:43]12[CH2:29][CH2:19][CH2:42][C@:34]3([CH3:23])[CH3:32])[C@:5]45[C@H:71](O)[C:156]6=[CH2:112]', '28 33 H 15.48 -13.42 H 16.66 -11.38 C:17 21.35 -9.78 C:19 13.32 -14.05 C:18 15.22 -14.15 O 15.48 -8.34 O 19.83 -12.63 O 16.66 -14.49 O 18.94 -13.15 C:2 13.13 -11.11 C:3 13.13 -12.48 C:1 14.30 -10.44 C:12 17.79 -8.40 O 17.79 -9.78 O 16.50 -11.97 C:16 20.04 -10.04 C:11 16.66 -9.07 C:15 19.26 -11.38 C:13 18.94 -9.07 C:6 16.66 -13.15 C:20 15.48 -9.78 C:14 18.94 -10.44 C:4 14.30 -13.15 C:5 15.48 -12.48 C:9 16.66 -10.44 C:7 17.79 -12.48 C:10 15.48 -11.11 C:8 17.79 -11.11 24 1 -1 25 2 -1 3 16 2 23 4 -2 23 5 -1 17 6 -2 18 7 -1 20 8 -1 26 9 -1 10 11 1 10 12 1 11 23 1 12 27 1 13 17 1 13 19 1 14 21 1 14 22 1 15 21 1 15 26 1 16 18 1 16 19 1 17 25 1 18 28 1 19 22 -2 20 24 1 20 26 1 27 21 -2 28 22 -2 23 24 1 24 27 1 25 27 1 25 28 1 26 28 1', '28 33 H 15.48 -13.42 H 16.66 -11.38 C 21.35 -9.78 C 13.32 -14.05 C 15.22 -14.15 O 15.48 -8.34 O 19.83 -12.63 O 16.66 -14.49 O 18.94 -13.15 C 13.13 -11.11 C 13.13 -12.48 C 14.30 -10.44 C 17.79 -8.40 O 17.79 -9.78 O 16.50 -11.97 C 20.04 -10.04 C 16.66 -9.07 C 19.26 -11.38 C 18.94 -9.07 C 16.66 -13.15 C 15.48 -9.78 C 18.94 -10.44 C 14.30 -13.15 C 15.48 -12.48 C 16.66 -10.44 C 17.79 -12.48 C 15.48 -11.11 C 17.79 -11.11 24 1 -1 25 2 -1 3 16 2 23 4 -2 23 5 -1 17 6 -2 18 7 -1 20 8 -1 26 9 -1 10 11 1 10 12 1 11 23 1 12 27 1 13 17 1 13 19 1 14 21 1 14 22 1 15 21 1 15 26 1 16 18 1 16 19 1 17 25 1 18 28 1 19 22 -2 20 24 1 20 26 1 27 21 -2 28 22 -2 23 24 1 24 27 1 25 27 1 25 28 1 26 28 1', '28 33 H 15.48 -13.42 H 16.66 -11.38 C:112 21.35 -9.78 C:23 13.32 -14.05 C:32 15.22 -14.15 O 15.48 -8.34 O 19.83 -12.63 O 16.66 -14.49 O 18.94 -13.15 C:19 13.13 -11.11 C:42 13.13 -12.48 C:29 14.30 -10.44 C:37 17.79 -8.40 O 17.79 -9.78 O 16.50 -11.97 C:156 20.04 -10.04 C:64 16.66 -9.07 C:71 19.26 -11.38 C:42 18.94 -9.07 C:73 16.66 -13.15 C:98 15.48 -9.78 C:71 18.94 -10.44 C:34 14.30 -13.15 C:65 15.48 -12.48 C:49 16.66 -10.44 C:101 17.79 -12.48 C:43 15.48 -11.11 C:5 17.79 -11.11 24 1 -1 25 2 -1 3 16 2 23 4 -2 23 5 -1 17 6 -2 18 7 -1 20 8 -1 26 9 -1 10 11 1 10 12 1 11 23 1 12 27 1 13 17 1 13 19 1 14 21 1 14 22 1 15 21 1 15 26 1 16 18 1 16 19 1 17 25 1 18 28 1 19 22 -2 20 24 1 20 26 1 27 21 -2 28 22 -2 23 24 1 24 27 1 25 27 1 25 28 1 26 28 1', 'C20H28O6', 364.226, 'P', 'hca08_1130_4', 4201, '', '', '1', 47, NULL, NULL),
(16773, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]2[C:16](=[CH2:17])[C:15](=O)[C@@:8]1([C@@H:14]2O)[C@@:7]5(O)O[CH2:20][C@:10]34[CH2:1][CH2:2][CH2:3][C@:4]([CH3:19])([CH3:18])[C@@:5]4([H])[C@@H:6]5O', '[H][C@@]13CC[C@@H]2C(=C)C(=O)[C@@]1([C@@H]2O)[C@@]5(O)OC[C@]34CCC[C@](C)(C)[C@@]4([H])[C@@H]5O', '[H][C@@:61]13[CH2:20][CH2:31][C@@H:44]2[C:154](=[CH2:120])[C:209](=O)[C@@:63]1([C@@H:74]2O)[C@@:99]5(O)O[CH2:67][C@:37]34[CH2:31][CH2:17][CH2:42][C@:35]([CH3:23])([CH3:34])[C@@:53]4([H])[C@@H:75]5O', '27 31 H 16.62 -11.36 H 15.45 -13.40 C:17 21.38 -9.76 C:19 13.27 -14.04 C:18 15.18 -14.13 O 19.79 -12.74 O 20.69 -11.08 O 16.62 -14.49 O 18.96 -13.11 C:2 13.09 -11.08 C:12 17.78 -8.36 C:3 13.09 -12.43 C:11 16.62 -9.04 C:1 14.25 -10.42 C:20 15.45 -9.76 O 16.50 -11.96 C:16 20.04 -10.04 C:15 19.28 -11.47 C:13 18.96 -9.04 C:14 18.96 -10.42 C:6 16.62 -13.11 C:4 14.25 -13.11 C:9 16.62 -10.42 C:5 15.45 -12.43 C:7 17.78 -12.43 C:10 15.45 -11.08 C:8 17.78 -11.08 23 1 -1 24 2 -1 3 17 2 22 4 -2 22 5 -1 6 18 2 20 7 -1 21 8 -1 25 9 -1 10 12 1 10 14 1 11 13 1 11 19 1 12 22 1 13 23 1 14 26 1 15 16 1 26 15 -2 16 25 1 17 18 1 17 19 1 18 27 1 19 20 -2 27 20 -2 21 24 1 21 25 1 22 24 1 23 26 1 23 27 1 24 26 1 25 27 1', '27 31 H 16.62 -11.36 H 15.45 -13.40 C 21.38 -9.76 C 13.27 -14.04 C 15.18 -14.13 O 19.79 -12.74 O 20.69 -11.08 O 16.62 -14.49 O 18.96 -13.11 C 13.09 -11.08 C 17.78 -8.36 C 13.09 -12.43 C 16.62 -9.04 C 14.25 -10.42 C 15.45 -9.76 O 16.50 -11.96 C 20.04 -10.04 C 19.28 -11.47 C 18.96 -9.04 C 18.96 -10.42 C 16.62 -13.11 C 14.25 -13.11 C 16.62 -10.42 C 15.45 -12.43 C 17.78 -12.43 C 15.45 -11.08 C 17.78 -11.08 23 1 -1 24 2 -1 3 17 2 22 4 -2 22 5 -1 6 18 2 20 7 -1 21 8 -1 25 9 -1 10 12 1 10 14 1 11 13 1 11 19 1 12 22 1 13 23 1 14 26 1 15 16 1 26 15 -2 16 25 1 17 18 1 17 19 1 18 27 1 19 20 -2 27 20 -2 21 24 1 21 25 1 22 24 1 23 26 1 23 27 1 24 26 1 25 27 1', '27 31 H 16.62 -11.36 H 15.45 -13.40 C:120 21.38 -9.76 C:23 13.27 -14.04 C:34 15.18 -14.13 O 19.79 -12.74 O 20.69 -11.08 O 16.62 -14.49 O 18.96 -13.11 C:17 13.09 -11.08 C:31 17.78 -8.36 C:42 13.09 -12.43 C:20 16.62 -9.04 C:31 14.25 -10.42 C:67 15.45 -9.76 O 16.50 -11.96 C:154 20.04 -10.04 C:209 19.28 -11.47 C:44 18.96 -9.04 C:74 18.96 -10.42 C:75 16.62 -13.11 C:35 14.25 -13.11 C:61 16.62 -10.42 C:53 15.45 -12.43 C:99 17.78 -12.43 C:37 15.45 -11.08 C:63 17.78 -11.08 23 1 -1 24 2 -1 3 17 2 22 4 -2 22 5 -1 6 18 2 20 7 -1 21 8 -1 25 9 -1 10 12 1 10 14 1 11 13 1 11 19 1 12 22 1 13 23 1 14 26 1 15 16 1 26 15 -2 16 25 1 17 18 1 17 19 1 18 27 1 19 20 -2 27 20 -2 21 24 1 21 25 1 22 24 1 23 26 1 23 27 1 24 26 1 25 27 1', 'C20H28O5', 348.227, 'P', 'hca08_1130_16', 4201, '', '', '1', 47, NULL, NULL),
(16774, 'Helikauranoside A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]15[CH2:15][C@H:16]([CH2:17]O)[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[CH2:14]5', '[H][C@]23CC[C@]15C[C@H](CO)[C@@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5', '[H][C@:59]23[CH2:24][CH2:43][C@:46]15[CH2:46][C@H:45]([CH2:68]O)[C@@H:40]([CH2:33][CH2:20][C@@:57]1([H])[C@:41]2([CH3:17])[CH2:42][CH2:20][CH2:39][C@@:45]3([CH3:29])[C:178](=O)O[C@@H:96]4O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]4O)[CH2:38]5', '36 40 H 17.40 -10.67 H 18.62 -8.55 C:18 17.12 -11.43 C:20 17.40 -6.87 O 13.79 -10.94 O 24.01 -5.44 O 10.44 -12.49 O 14.13 -17.35 O 11.42 -16.55 O 16.14 -15.40 C:2 14.94 -8.27 C:17 23.59 -6.87 C:106 10.78 -13.85 C:12 19.84 -5.44 C:3 14.94 -9.67 C:1 16.14 -7.56 C:11 18.62 -6.15 C:6 18.62 -10.39 C:7 19.84 -9.67 C:15 21.41 -8.55 C:14 21.05 -7.56 O 15.47 -12.70 O 13.12 -13.28 C:19 15.14 -11.34 C:16 22.21 -7.15 C:13 21.05 -6.15 C:103 13.79 -15.99 C:104 12.44 -15.59 C:102 14.80 -15.02 C:105 12.11 -14.23 C:101 14.47 -13.67 C:5 17.40 -9.67 C:9 18.62 -7.56 C:4 16.14 -10.39 C:10 17.40 -8.27 C:8 19.84 -8.27 32 1 -1 33 2 -1 34 3 -1 35 4 -2 5 24 2 6 12 1 7 13 1 27 8 -1 28 9 -2 29 10 -2 11 15 1 11 16 1 25 12 -1 30 13 -1 14 17 1 14 26 1 15 34 1 16 35 1 17 33 1 18 19 1 18 32 1 19 36 1 20 25 1 20 36 1 26 21 -2 36 21 -2 22 24 1 31 22 -1 23 30 1 23 31 1 34 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 34 1 32 35 1 33 35 1 33 36 1', '36 40 H 17.40 -10.67 H 18.62 -8.55 C 17.12 -11.43 C 17.40 -6.87 O 13.79 -10.94 O 24.01 -5.44 O 10.44 -12.49 O 14.13 -17.35 O 11.42 -16.55 O 16.14 -15.40 C 14.94 -8.27 C 23.59 -6.87 C 10.78 -13.85 C 19.84 -5.44 C 14.94 -9.67 C 16.14 -7.56 C 18.62 -6.15 C 18.62 -10.39 C 19.84 -9.67 C 21.41 -8.55 C 21.05 -7.56 O 15.47 -12.70 O 13.12 -13.28 C 15.14 -11.34 C 22.21 -7.15 C 21.05 -6.15 C 13.79 -15.99 C 12.44 -15.59 C 14.80 -15.02 C 12.11 -14.23 C 14.47 -13.67 C 17.40 -9.67 C 18.62 -7.56 C 16.14 -10.39 C 17.40 -8.27 C 19.84 -8.27 32 1 -1 33 2 -1 34 3 -1 35 4 -2 5 24 2 6 12 1 7 13 1 27 8 -1 28 9 -2 29 10 -2 11 15 1 11 16 1 25 12 -1 30 13 -1 14 17 1 14 26 1 15 34 1 16 35 1 17 33 1 18 19 1 18 32 1 19 36 1 20 25 1 20 36 1 26 21 -2 36 21 -2 22 24 1 31 22 -1 23 30 1 23 31 1 34 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 34 1 32 35 1 33 35 1 33 36 1', '36 40 H 17.40 -10.67 H 18.62 -8.55 C:29 17.12 -11.43 C:17 17.40 -6.87 O 13.79 -10.94 O 24.01 -5.44 O 10.44 -12.49 O 14.13 -17.35 O 11.42 -16.55 O 16.14 -15.40 C:20 14.94 -8.27 C:68 23.59 -6.87 C:62 10.78 -13.85 C:33 19.84 -5.44 C:39 14.94 -9.67 C:42 16.14 -7.56 C:20 18.62 -6.15 C:24 18.62 -10.39 C:43 19.84 -9.67 C:46 21.41 -8.55 C:38 21.05 -7.56 O 15.47 -12.70 O 13.12 -13.28 C:178 15.14 -11.34 C:45 22.21 -7.15 C:40 21.05 -6.15 C:79 13.79 -15.99 C:71 12.44 -15.59 C:74 14.80 -15.02 C:79 12.11 -14.23 C:96 14.47 -13.67 C:59 17.40 -9.67 C:57 18.62 -7.56 C:45 16.14 -10.39 C:41 17.40 -8.27 C:46 19.84 -8.27 32 1 -1 33 2 -1 34 3 -1 35 4 -2 5 24 2 6 12 1 7 13 1 27 8 -1 28 9 -2 29 10 -2 11 15 1 11 16 1 25 12 -1 30 13 -1 14 17 1 14 26 1 15 34 1 16 35 1 17 33 1 18 19 1 18 32 1 19 36 1 20 25 1 20 36 1 26 21 -2 36 21 -2 22 24 1 31 22 -1 23 30 1 23 31 1 34 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 34 1 32 35 1 33 35 1 33 36 1', 'C26H42O8', 482.289, 'M', 'jce08_65_4', 4202, '', '', '1', 47, NULL, NULL),
(16775, 'Helikauranoside A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]15[CH2:15][C@H:16]([CH2:17]O)[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[CH2:14]5', '[H][C@]23CC[C@]15C[C@H](CO)[C@@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5', '[H][C@:58]23[CH2:23][CH2:42][C@:45]15[CH2:46][C@H:44]([CH2:67]O)[C@@H:39]([CH2:9999][CH2:20][C@@:56]1([H])[C@:40]2([CH3:16])[CH2:41][CH2:19][CH2:39][C@@:44]3([CH3:29])[C:176](=O)O[C@@H:96]4O[C@H:79]([CH2:62]O)[C@@H:79](O)[C@H:71](O)[C@H:74]4O)[CH2:37]5', '36 40 H 17.40 -10.67 H 18.62 -8.55 C:18 17.12 -11.43 C:20 17.40 -6.87 O 13.79 -10.94 O 24.01 -5.44 O 10.44 -12.49 O 14.13 -17.35 O 11.42 -16.55 O 16.14 -15.40 C:2 14.94 -8.27 C:17 23.59 -6.87 C:106 10.78 -13.85 C:12 19.84 -5.44 C:3 14.94 -9.67 C:1 16.14 -7.56 C:11 18.62 -6.15 C:6 18.62 -10.39 C:7 19.84 -9.67 C:15 21.41 -8.55 C:14 21.05 -7.56 O 15.47 -12.70 O 13.12 -13.28 C:19 15.14 -11.34 C:16 22.21 -7.15 C:13 21.05 -6.15 C:103 13.79 -15.99 C:104 12.44 -15.59 C:102 14.80 -15.02 C:105 12.11 -14.23 C:101 14.47 -13.67 C:5 17.40 -9.67 C:9 18.62 -7.56 C:4 16.14 -10.39 C:10 17.40 -8.27 C:8 19.84 -8.27 32 1 -1 33 2 -1 34 3 -1 35 4 -2 5 24 2 6 12 1 7 13 1 27 8 -1 28 9 -2 29 10 -2 11 15 1 11 16 1 25 12 -1 30 13 -1 14 17 1 14 26 1 15 34 1 16 35 1 17 33 1 18 19 1 18 32 1 19 36 1 20 25 1 20 36 1 26 21 -2 36 21 -2 22 24 1 31 22 -1 23 30 1 23 31 1 34 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 34 1 32 35 1 33 35 1 33 36 1', '36 40 H 17.40 -10.67 H 18.62 -8.55 C 17.12 -11.43 C 17.40 -6.87 O 13.79 -10.94 O 24.01 -5.44 O 10.44 -12.49 O 14.13 -17.35 O 11.42 -16.55 O 16.14 -15.40 C 14.94 -8.27 C 23.59 -6.87 C 10.78 -13.85 C 19.84 -5.44 C 14.94 -9.67 C 16.14 -7.56 C 18.62 -6.15 C 18.62 -10.39 C 19.84 -9.67 C 21.41 -8.55 C 21.05 -7.56 O 15.47 -12.70 O 13.12 -13.28 C 15.14 -11.34 C 22.21 -7.15 C 21.05 -6.15 C 13.79 -15.99 C 12.44 -15.59 C 14.80 -15.02 C 12.11 -14.23 C 14.47 -13.67 C 17.40 -9.67 C 18.62 -7.56 C 16.14 -10.39 C 17.40 -8.27 C 19.84 -8.27 32 1 -1 33 2 -1 34 3 -1 35 4 -2 5 24 2 6 12 1 7 13 1 27 8 -1 28 9 -2 29 10 -2 11 15 1 11 16 1 25 12 -1 30 13 -1 14 17 1 14 26 1 15 34 1 16 35 1 17 33 1 18 19 1 18 32 1 19 36 1 20 25 1 20 36 1 26 21 -2 36 21 -2 22 24 1 31 22 -1 23 30 1 23 31 1 34 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 34 1 32 35 1 33 35 1 33 36 1', '36 40 H 17.40 -10.67 H 18.62 -8.55 C:29 17.12 -11.43 C:16 17.40 -6.87 O 13.79 -10.94 O 24.01 -5.44 O 10.44 -12.49 O 14.13 -17.35 O 11.42 -16.55 O 16.14 -15.40 C:19 14.94 -8.27 C:67 23.59 -6.87 C:62 10.78 -13.85 C 19.84 -5.44 C:39 14.94 -9.67 C:41 16.14 -7.56 C:20 18.62 -6.15 C:23 18.62 -10.39 C:42 19.84 -9.67 C:46 21.41 -8.55 C:37 21.05 -7.56 O 15.47 -12.70 O 13.12 -13.28 C:176 15.14 -11.34 C:44 22.21 -7.15 C:39 21.05 -6.15 C:71 13.79 -15.99 C:79 12.44 -15.59 C:74 14.80 -15.02 C:79 12.11 -14.23 C:96 14.47 -13.67 C:58 17.40 -9.67 C:56 18.62 -7.56 C:44 16.14 -10.39 C:40 17.40 -8.27 C:45 19.84 -8.27 32 1 -1 33 2 -1 34 3 -1 35 4 -2 5 24 2 6 12 1 7 13 1 27 8 -1 28 9 -2 29 10 -2 11 15 1 11 16 1 25 12 -1 30 13 -1 14 17 1 14 26 1 15 34 1 16 35 1 17 33 1 18 19 1 18 32 1 19 36 1 20 25 1 20 36 1 26 21 -2 36 21 -2 22 24 1 31 22 -1 23 30 1 23 31 1 34 24 -2 25 26 1 27 28 1 27 29 1 28 30 1 29 31 1 32 34 1 32 35 1 33 35 1 33 36 1', 'C26H42O8', 482.289, 'P', 'jce08_65_4', 4202, '', '', '1', 47, NULL, NULL),
(16776, 'Excisusin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH2:19]O)[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)CC[C@H](OC(C)=O)[C@@]3(C)CO)C(=C)C4=O', '[H][C@:51]23[CH2:19][CH2:35][C@@:51]14[CH2:37][C@H:38]([CH2:42][C@H:65](O)[C@@:64]1([H])[C@:39]2([CH3:18])[CH2:33][CH2:23][C@H:74](O[C:170]([CH3:21])=O)[C@@:43]3([CH3:23])[CH2:64]O)[C:152](=[CH2:111])[C:209]4=O', '29 32 H 17.18 -13.04 H 18.41 -10.91 C:17 23.39 -9.18 C:3002 11.08 -12.67 C:18 16.90 -13.80 C:20 17.18 -9.23 O 12.31 -10.59 O 21.78 -12.21 O 15.26 -15.07 O 17.18 -7.81 C:2 14.72 -10.59 C:19 14.92 -13.71 C:1 15.93 -9.92 C:6 18.41 -12.76 C:7 19.63 -11.99 C:12 19.63 -7.81 C:14 20.84 -9.92 O 13.50 -12.67 C:3001 12.31 -11.99 C:16 22.00 -9.51 C:15 21.20 -10.91 C:13 20.84 -8.51 C:11 18.41 -8.51 C:3 14.72 -11.99 C:5 17.18 -11.99 C:9 18.41 -9.92 C:4 15.93 -12.76 C:10 17.18 -10.59 C:8 19.63 -10.59 25 1 -1 26 2 -1 3 20 2 4 19 1 27 5 -1 28 6 -2 7 19 2 8 21 2 9 12 1 23 10 -1 11 13 1 11 24 1 27 12 -2 13 28 1 14 15 1 14 25 1 15 29 1 16 22 1 16 23 1 22 17 -2 29 17 -2 18 19 1 24 18 -1 20 21 1 20 22 1 21 29 1 23 26 1 24 27 1 25 27 1 25 28 1 26 28 1 26 29 1', '29 32 H 17.18 -13.04 H 18.41 -10.91 C 23.39 -9.18 C 11.08 -12.67 C 16.90 -13.80 C 17.18 -9.23 O 12.31 -10.59 O 21.78 -12.21 O 15.26 -15.07 O 17.18 -7.81 C 14.72 -10.59 C 14.92 -13.71 C 15.93 -9.92 C 18.41 -12.76 C 19.63 -11.99 C 19.63 -7.81 C 20.84 -9.92 O 13.50 -12.67 C 12.31 -11.99 C 22.00 -9.51 C 21.20 -10.91 C 20.84 -8.51 C 18.41 -8.51 C 14.72 -11.99 C 17.18 -11.99 C 18.41 -9.92 C 15.93 -12.76 C 17.18 -10.59 C 19.63 -10.59 25 1 -1 26 2 -1 3 20 2 4 19 1 27 5 -1 28 6 -2 7 19 2 8 21 2 9 12 1 23 10 -1 11 13 1 11 24 1 27 12 -2 13 28 1 14 15 1 14 25 1 15 29 1 16 22 1 16 23 1 22 17 -2 29 17 -2 18 19 1 24 18 -1 20 21 1 20 22 1 21 29 1 23 26 1 24 27 1 25 27 1 25 28 1 26 28 1 26 29 1', '29 32 H 17.18 -13.04 H 18.41 -10.91 C:111 23.39 -9.18 C:21 11.08 -12.67 C:23 16.90 -13.80 C:18 17.18 -9.23 O 12.31 -10.59 O 21.78 -12.21 O 15.26 -15.07 O 17.18 -7.81 C:23 14.72 -10.59 C:64 14.92 -13.71 C:33 15.93 -9.92 C:19 18.41 -12.76 C:35 19.63 -11.99 C:42 19.63 -7.81 C:37 20.84 -9.92 O 13.50 -12.67 C:170 12.31 -11.99 C:152 22.00 -9.51 C:209 21.20 -10.91 C:38 20.84 -8.51 C:65 18.41 -8.51 C:74 14.72 -11.99 C:51 17.18 -11.99 C:64 18.41 -9.92 C:43 15.93 -12.76 C:39 17.18 -10.59 C:51 19.63 -10.59 25 1 -1 26 2 -1 3 20 2 4 19 1 27 5 -1 28 6 -2 7 19 2 8 21 2 9 12 1 23 10 -1 11 13 1 11 24 1 27 12 -2 13 28 1 14 15 1 14 25 1 15 29 1 16 22 1 16 23 1 22 17 -2 29 17 -2 18 19 1 24 18 -1 20 21 1 20 22 1 21 29 1 23 26 1 24 27 1 25 27 1 25 28 1 26 28 1 26 29 1', 'C22H32O5', 376.248, 'P', 'np07_632_1', 4203, '', '', '1', 47, NULL, NULL),
(16777, 'Excisusin B', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)C)C(=C)C4=O', '[H][C@:49]23[CH2:19][CH2:35][C@@:51]14[CH2:38][C@H:38]([CH2:42][C@H:67](O)[C@@:65]1([H])[C@:45]2([CH3:14])[C@@H:76](O)[CH2:34][C@H:79](O[C:170]([CH3:21])=O)[C@@:37]3([CH3:28])[CH3:22])[C:153](=[CH2:110])[C:209]4=O', '29 32 H 17.19 -13.66 H 18.42 -11.54 C:17 23.40 -9.85 C:3002 11.09 -13.30 C:18 16.91 -14.42 C:19 14.93 -14.33 C:20 17.19 -9.85 O 12.33 -11.21 O 21.79 -12.84 O 17.19 -8.43 O 15.94 -9.14 C:6 18.42 -13.39 C:7 19.64 -12.62 C:12 19.64 -8.43 C:2 14.73 -11.21 C:14 20.85 -10.54 O 13.51 -13.30 C:3001 12.33 -12.62 C:16 22.01 -10.13 C:15 21.21 -11.54 C:13 20.85 -9.14 C:11 18.42 -9.14 C:1 15.94 -10.54 C:3 14.73 -12.62 C:4 15.94 -13.39 C:5 17.19 -12.62 C:9 18.42 -10.54 C:8 19.64 -11.21 C:10 17.19 -11.21 26 1 -1 27 2 -1 3 19 2 4 18 1 25 5 -1 25 6 -2 29 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -2 12 13 1 12 26 1 13 28 1 14 21 1 14 22 1 15 23 1 15 24 1 21 16 -2 28 16 -2 17 18 1 24 17 -1 19 20 1 19 21 1 20 28 1 22 27 1 23 29 1 24 25 1 25 26 1 26 29 1 27 28 1 27 29 1', '29 32 H 17.19 -13.66 H 18.42 -11.54 C 23.40 -9.85 C 11.09 -13.30 C 16.91 -14.42 C 14.93 -14.33 C 17.19 -9.85 O 12.33 -11.21 O 21.79 -12.84 O 17.19 -8.43 O 15.94 -9.14 C 18.42 -13.39 C 19.64 -12.62 C 19.64 -8.43 C 14.73 -11.21 C 20.85 -10.54 O 13.51 -13.30 C 12.33 -12.62 C 22.01 -10.13 C 21.21 -11.54 C 20.85 -9.14 C 18.42 -9.14 C 15.94 -10.54 C 14.73 -12.62 C 15.94 -13.39 C 17.19 -12.62 C 18.42 -10.54 C 19.64 -11.21 C 17.19 -11.21 26 1 -1 27 2 -1 3 19 2 4 18 1 25 5 -1 25 6 -2 29 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -2 12 13 1 12 26 1 13 28 1 14 21 1 14 22 1 15 23 1 15 24 1 21 16 -2 28 16 -2 17 18 1 24 17 -1 19 20 1 19 21 1 20 28 1 22 27 1 23 29 1 24 25 1 25 26 1 26 29 1 27 28 1 27 29 1', '29 32 H 17.19 -13.66 H 18.42 -11.54 C:110 23.40 -9.85 C:21 11.09 -13.30 C:28 16.91 -14.42 C:22 14.93 -14.33 C:14 17.19 -9.85 O 12.33 -11.21 O 21.79 -12.84 O 17.19 -8.43 O 15.94 -9.14 C:19 18.42 -13.39 C:35 19.64 -12.62 C:42 19.64 -8.43 C:34 14.73 -11.21 C:38 20.85 -10.54 O 13.51 -13.30 C:170 12.33 -12.62 C:153 22.01 -10.13 C:209 21.21 -11.54 C:38 20.85 -9.14 C:67 18.42 -9.14 C:76 15.94 -10.54 C:79 14.73 -12.62 C:37 15.94 -13.39 C:49 17.19 -12.62 C:65 18.42 -10.54 C:51 19.64 -11.21 C:45 17.19 -11.21 26 1 -1 27 2 -1 3 19 2 4 18 1 25 5 -1 25 6 -2 29 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -2 12 13 1 12 26 1 13 28 1 14 21 1 14 22 1 15 23 1 15 24 1 21 16 -2 28 16 -2 17 18 1 24 17 -1 19 20 1 19 21 1 20 28 1 22 27 1 23 29 1 24 25 1 25 26 1 26 29 1 27 28 1 27 29 1', 'C22H32O5', 376.248, 'P', 'np07_632_2', 4203, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16778, 'Excisusin C', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O)[C:16](=[CH2:17])[C@H:15]4O', '[H][C@]23CC[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@@]3(C)COC(C)=O)C(=C)[C@H]4O', '[H][C@:55]23[CH2:22][CH2:40][C@@:45]14[CH2:36][C@H:40]([CH2:43][C@H:66](O)[C@@:56]1([H])[C@:38]2([CH3:17])[CH2:39][CH2:28][C@@H:78](O)[C@@:43]3([CH3:24])[CH2:67]O[C:171]([CH3:21])=O)[C:160](=[CH2:106])[C@H:83]4O', '29 32 H 16.28 -11.86 H 17.51 -9.74 C:17 22.49 -8.05 C:19002 13.68 -16.22 C:18 16.00 -12.62 C:20 16.28 -8.05 O 12.01 -14.44 O 12.61 -11.50 O 16.28 -6.63 O 20.88 -11.04 C:2 13.83 -9.41 C:6 17.51 -11.59 C:1 15.04 -8.74 C:7 18.73 -10.82 C:19 14.03 -12.53 C:12 18.73 -6.63 C:14 19.94 -8.74 O 14.36 -13.89 C:19001 13.35 -14.85 C:16 21.10 -8.33 C:13 19.94 -7.34 C:3 13.83 -10.82 C:11 17.51 -7.34 C:15 20.30 -9.74 C:5 16.28 -10.82 C:9 17.51 -8.74 C:4 15.04 -11.59 C:10 16.28 -9.41 C:8 18.73 -9.41 25 1 -1 26 2 -1 3 20 2 4 19 1 27 5 -1 28 6 -2 7 19 2 22 8 -2 23 9 -1 24 10 -1 11 13 1 11 22 1 12 14 1 12 25 1 13 28 1 14 29 1 15 18 1 27 15 -2 16 21 1 16 23 1 21 17 -2 29 17 -2 18 19 1 20 21 1 20 24 1 22 27 1 23 26 1 24 29 1 25 27 1 25 28 1 26 28 1 26 29 1', '29 32 H 16.28 -11.86 H 17.51 -9.74 C 22.49 -8.05 C 13.68 -16.22 C 16.00 -12.62 C 16.28 -8.05 O 12.01 -14.44 O 12.61 -11.50 O 16.28 -6.63 O 20.88 -11.04 C 13.83 -9.41 C 17.51 -11.59 C 15.04 -8.74 C 18.73 -10.82 C 14.03 -12.53 C 18.73 -6.63 C 19.94 -8.74 O 14.36 -13.89 C 13.35 -14.85 C 21.10 -8.33 C 19.94 -7.34 C 13.83 -10.82 C 17.51 -7.34 C 20.30 -9.74 C 16.28 -10.82 C 17.51 -8.74 C 15.04 -11.59 C 16.28 -9.41 C 18.73 -9.41 25 1 -1 26 2 -1 3 20 2 4 19 1 27 5 -1 28 6 -2 7 19 2 22 8 -2 23 9 -1 24 10 -1 11 13 1 11 22 1 12 14 1 12 25 1 13 28 1 14 29 1 15 18 1 27 15 -2 16 21 1 16 23 1 21 17 -2 29 17 -2 18 19 1 20 21 1 20 24 1 22 27 1 23 26 1 24 29 1 25 27 1 25 28 1 26 28 1 26 29 1', '29 32 H 16.28 -11.86 H 17.51 -9.74 C:106 22.49 -8.05 C:21 13.68 -16.22 C:24 16.00 -12.62 C:17 16.28 -8.05 O 12.01 -14.44 O 12.61 -11.50 O 16.28 -6.63 O 20.88 -11.04 C:28 13.83 -9.41 C:22 17.51 -11.59 C:39 15.04 -8.74 C:40 18.73 -10.82 C:67 14.03 -12.53 C:43 18.73 -6.63 C:36 19.94 -8.74 O 14.36 -13.89 C:171 13.35 -14.85 C:160 21.10 -8.33 C:40 19.94 -7.34 C:78 13.83 -10.82 C:66 17.51 -7.34 C:83 20.30 -9.74 C:55 16.28 -10.82 C:56 17.51 -8.74 C:43 15.04 -11.59 C:38 16.28 -9.41 C:45 18.73 -9.41 25 1 -1 26 2 -1 3 20 2 4 19 1 27 5 -1 28 6 -2 7 19 2 22 8 -2 23 9 -1 24 10 -1 11 13 1 11 22 1 12 14 1 12 25 1 13 28 1 14 29 1 15 18 1 27 15 -2 16 21 1 16 23 1 21 17 -2 29 17 -2 18 19 1 20 21 1 20 24 1 22 27 1 23 26 1 24 29 1 25 27 1 25 28 1 26 28 1 26 29 1', 'C22H34O5', 378.248, 'p', 'np07_632_3', 4203, '', '', '1', 47, NULL, NULL),
(16779, 'Excisusin D', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O)[CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23[C@@H](O)C[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)C)C(=C)C4=O', '[H][C@:48]23[C@@H:67](O)[CH2:43][C@@:50]14[CH2:39][C@H:38]([CH2:38][C@H:72](O[C:170]([CH3:22])=O)[C@@:61]1([H])[C@:45]2([CH3:15])[C@@H:77](O)[CH2:38][C@H:77](O)[C@@:39]3([CH3:30])[CH3:25])[C:152](=[CH2:111])[C:210]4=O', '30 33 H 15.98 -14.53 H 17.22 -12.41 C:17 22.18 -10.72 C:11002 14.75 -7.20 C:18 15.71 -15.29 C:19 13.74 -15.20 C:20 15.98 -10.72 O 17.22 -7.20 O 20.57 -13.71 O 12.32 -14.17 O 17.22 -15.66 O 14.75 -10.01 C:2 13.54 -12.08 C:12 18.43 -9.30 C:14 19.64 -11.41 C:7 18.43 -13.49 O 15.98 -9.30 C:11001 15.98 -7.90 C:16 20.79 -11.00 C:15 20.00 -12.41 C:13 19.64 -10.01 C:3 13.54 -13.49 C:6 17.22 -14.26 C:1 14.75 -11.41 C:11 17.22 -10.01 C:4 14.75 -14.26 C:5 15.98 -13.49 C:9 17.22 -11.41 C:8 18.43 -12.08 C:10 15.98 -12.08 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -1 26 6 -2 30 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -2 24 12 -2 13 22 1 13 24 1 14 21 1 14 25 1 21 15 -2 29 15 -2 16 23 1 16 29 1 17 18 1 25 17 -1 19 20 1 19 21 1 20 29 1 22 26 1 23 27 1 24 30 1 25 28 1 26 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 15.98 -14.53 H 17.22 -12.41 C 22.18 -10.72 C 14.75 -7.20 C 15.71 -15.29 C 13.74 -15.20 C 15.98 -10.72 O 17.22 -7.20 O 20.57 -13.71 O 12.32 -14.17 O 17.22 -15.66 O 14.75 -10.01 C 13.54 -12.08 C 18.43 -9.30 C 19.64 -11.41 C 18.43 -13.49 O 15.98 -9.30 C 15.98 -7.90 C 20.79 -11.00 C 20.00 -12.41 C 19.64 -10.01 C 13.54 -13.49 C 17.22 -14.26 C 14.75 -11.41 C 17.22 -10.01 C 14.75 -14.26 C 15.98 -13.49 C 17.22 -11.41 C 18.43 -12.08 C 15.98 -12.08 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -1 26 6 -2 30 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -2 24 12 -2 13 22 1 13 24 1 14 21 1 14 25 1 21 15 -2 29 15 -2 16 23 1 16 29 1 17 18 1 25 17 -1 19 20 1 19 21 1 20 29 1 22 26 1 23 27 1 24 30 1 25 28 1 26 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 15.98 -14.53 H 17.22 -12.41 C:111 22.18 -10.72 C:22 14.75 -7.20 C:30 15.71 -15.29 C:25 13.74 -15.20 C:15 15.98 -10.72 O 17.22 -7.20 O 20.57 -13.71 O 12.32 -14.17 O 17.22 -15.66 O 14.75 -10.01 C:38 13.54 -12.08 C:38 18.43 -9.30 C:39 19.64 -11.41 C:43 18.43 -13.49 O 15.98 -9.30 C:170 15.98 -7.90 C:152 20.79 -11.00 C:210 20.00 -12.41 C:38 19.64 -10.01 C:77 13.54 -13.49 C:67 17.22 -14.26 C:77 14.75 -11.41 C:72 17.22 -10.01 C:39 14.75 -14.26 C:48 15.98 -13.49 C:61 17.22 -11.41 C:50 18.43 -12.08 C:45 15.98 -12.08 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -1 26 6 -2 30 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -2 24 12 -2 13 22 1 13 24 1 14 21 1 14 25 1 21 15 -2 29 15 -2 16 23 1 16 29 1 17 18 1 25 17 -1 19 20 1 19 21 1 20 29 1 22 26 1 23 27 1 24 30 1 25 28 1 26 27 1 27 30 1 28 29 1 28 30 1', 'C22H32O6', 392.248, 'P', 'np07_632_4', 4203, '', '', '1', 47, NULL, NULL),
(16780, 'Excisusin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@@:4]3([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O)[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)CCC(=O)[C@@]3(C)COC(C)=O)C(=C)C4=O', '[H][C@:56]23[CH2:20][CH2:34][C@@:50]14[CH2:36][C@H:37]([CH2:41][C@H:66](O)[C@@:62]1([H])[C@:38]2([CH3:18])[CH2:38][CH2:34][C:212](=O)[C@@:51]3([CH3:22])[CH2:66]O[C:171]([CH3:21])=O)[C:150](=[CH2:114])[C:209]4=O', '29 32 H 16.26 -11.85 H 17.50 -9.73 C:17 22.45 -8.03 C:19002 13.66 -16.21 C:18 15.99 -12.60 C:20 16.26 -8.03 O 11.99 -14.44 O 12.59 -11.49 O 20.84 -11.03 O 16.26 -6.61 C:2 13.81 -9.39 C:6 17.50 -11.58 C:1 15.03 -8.72 C:7 18.71 -10.81 C:19 14.01 -12.51 C:12 18.71 -6.61 C:14 19.91 -8.72 O 14.34 -13.87 C:19001 13.33 -14.84 C:16 21.06 -8.31 C:3 13.81 -10.81 C:15 20.27 -9.73 C:13 19.91 -7.32 C:11 17.50 -7.32 C:5 16.26 -10.81 C:4 15.03 -11.58 C:9 17.50 -8.72 C:10 16.26 -9.39 C:8 18.71 -9.39 25 1 -1 27 2 -1 3 20 2 4 19 1 26 5 -1 28 6 -2 7 19 2 8 21 2 9 22 2 24 10 -1 11 13 1 11 21 1 12 14 1 12 25 1 13 28 1 14 29 1 15 18 1 26 15 -2 16 23 1 16 24 1 23 17 -2 29 17 -2 18 19 1 20 22 1 20 23 1 21 26 1 22 29 1 24 27 1 25 26 1 25 28 1 27 28 1 27 29 1', '29 32 H 16.26 -11.85 H 17.50 -9.73 C 22.45 -8.03 C 13.66 -16.21 C 15.99 -12.60 C 16.26 -8.03 O 11.99 -14.44 O 12.59 -11.49 O 20.84 -11.03 O 16.26 -6.61 C 13.81 -9.39 C 17.50 -11.58 C 15.03 -8.72 C 18.71 -10.81 C 14.01 -12.51 C 18.71 -6.61 C 19.91 -8.72 O 14.34 -13.87 C 13.33 -14.84 C 21.06 -8.31 C 13.81 -10.81 C 20.27 -9.73 C 19.91 -7.32 C 17.50 -7.32 C 16.26 -10.81 C 15.03 -11.58 C 17.50 -8.72 C 16.26 -9.39 C 18.71 -9.39 25 1 -1 27 2 -1 3 20 2 4 19 1 26 5 -1 28 6 -2 7 19 2 8 21 2 9 22 2 24 10 -1 11 13 1 11 21 1 12 14 1 12 25 1 13 28 1 14 29 1 15 18 1 26 15 -2 16 23 1 16 24 1 23 17 -2 29 17 -2 18 19 1 20 22 1 20 23 1 21 26 1 22 29 1 24 27 1 25 26 1 25 28 1 27 28 1 27 29 1', '29 32 H 16.26 -11.85 H 17.50 -9.73 C:114 22.45 -8.03 C:21 13.66 -16.21 C:22 15.99 -12.60 C:18 16.26 -8.03 O 11.99 -14.44 O 12.59 -11.49 O 20.84 -11.03 O 16.26 -6.61 C:34 13.81 -9.39 C:20 17.50 -11.58 C:38 15.03 -8.72 C:34 18.71 -10.81 C:66 14.01 -12.51 C:41 18.71 -6.61 C:36 19.91 -8.72 O 14.34 -13.87 C:171 13.33 -14.84 C:150 21.06 -8.31 C:212 13.81 -10.81 C:209 20.27 -9.73 C:37 19.91 -7.32 C:66 17.50 -7.32 C:56 16.26 -10.81 C:51 15.03 -11.58 C:62 17.50 -8.72 C:38 16.26 -9.39 C:50 18.71 -9.39 25 1 -1 27 2 -1 3 20 2 4 19 1 26 5 -1 28 6 -2 7 19 2 8 21 2 9 22 2 24 10 -1 11 13 1 11 21 1 12 14 1 12 25 1 13 28 1 14 29 1 15 18 1 26 15 -2 16 23 1 16 24 1 23 17 -2 29 17 -2 18 19 1 20 22 1 20 23 1 21 26 1 22 29 1 24 27 1 25 26 1 25 28 1 27 28 1 27 29 1', 'C22H30O5', 374.248, 'P', 'np07_632_5', 4203, '', '', '1', 47, NULL, NULL),
(16781, 'Alboatisin A', '', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@:8]14[C:15](=O)[C:16](=[CH2:17])[C@@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O)[C@H:13](O)[C@H:14]4O', '[H][C@]23C[C@@H](O)[C@]14C(=O)C(=C)[C@@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)CO)[C@H](O)[C@H]4O', '[H][C@:46]23[CH2:29][C@@H:72](O)[C@:57]14[C:201](=O)[C:146](=[CH2:118])[C@@H:44]([CH2:21][C@@:48]1([H])[C@:39]2([CH3:17])[CH2:39][CH2:18][CH2:36][C@:38]3([CH3:18])[CH2:71]O)[C@H:77](O)[C@H:76]4O', '27 30 H 16.02 -13.03 H 17.26 -11.00 C:17 21.01 -7.71 C:19 13.75 -13.71 C:20 16.02 -9.16 O 20.94 -10.60 O 15.32 -15.16 O 19.73 -12.70 O 16.59 -9.52 O 20.59 -9.16 C:2 13.54 -10.60 C:18 15.74 -13.82 C:3 13.54 -12.02 C:1 14.75 -9.88 C:6 17.26 -12.75 C:11 17.26 -8.45 C:16 19.73 -8.45 C:15 19.73 -9.88 C:7 18.49 -12.02 C:13 17.89 -9.00 C:12 18.49 -7.71 C:14 19.24 -9.52 C:5 16.02 -12.02 C:9 17.26 -9.88 C:4 14.75 -12.75 C:10 16.02 -10.60 C:8 18.49 -10.60 23 1 -1 24 2 -1 3 17 2 25 4 -2 26 5 -2 6 18 2 7 12 1 19 8 -2 20 9 -1 22 10 -1 11 13 1 11 14 1 25 12 -1 13 25 1 14 26 1 15 19 1 15 23 1 16 21 1 16 24 1 17 18 1 17 21 1 18 27 1 19 27 1 21 20 -2 20 22 1 27 22 -2 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.02 -13.03 H 17.26 -11.00 C 21.01 -7.71 C 13.75 -13.71 C 16.02 -9.16 O 20.94 -10.60 O 15.32 -15.16 O 19.73 -12.70 O 16.59 -9.52 O 20.59 -9.16 C 13.54 -10.60 C 15.74 -13.82 C 13.54 -12.02 C 14.75 -9.88 C 17.26 -12.75 C 17.26 -8.45 C 19.73 -8.45 C 19.73 -9.88 C 18.49 -12.02 C 17.89 -9.00 C 18.49 -7.71 C 19.24 -9.52 C 16.02 -12.02 C 17.26 -9.88 C 14.75 -12.75 C 16.02 -10.60 C 18.49 -10.60 23 1 -1 24 2 -1 3 17 2 25 4 -2 26 5 -2 6 18 2 7 12 1 19 8 -2 20 9 -1 22 10 -1 11 13 1 11 14 1 25 12 -1 13 25 1 14 26 1 15 19 1 15 23 1 16 21 1 16 24 1 17 18 1 17 21 1 18 27 1 19 27 1 21 20 -2 20 22 1 27 22 -2 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.02 -13.03 H 17.26 -11.00 C:118 21.01 -7.71 C:18 13.75 -13.71 C:17 16.02 -9.16 O 20.94 -10.60 O 15.32 -15.16 O 19.73 -12.70 O 16.59 -9.52 O 20.59 -9.16 C:18 13.54 -10.60 C:71 15.74 -13.82 C:36 13.54 -12.02 C:39 14.75 -9.88 C:29 17.26 -12.75 C:21 17.26 -8.45 C:146 19.73 -8.45 C:201 19.73 -9.88 C:72 18.49 -12.02 C:77 17.89 -9.00 C:44 18.49 -7.71 C:76 19.24 -9.52 C:46 16.02 -12.02 C:48 17.26 -9.88 C:38 14.75 -12.75 C:39 16.02 -10.60 C:57 18.49 -10.60 23 1 -1 24 2 -1 3 17 2 25 4 -2 26 5 -2 6 18 2 7 12 1 19 8 -2 20 9 -1 22 10 -1 11 13 1 11 14 1 25 12 -1 13 25 1 14 26 1 15 19 1 15 23 1 16 21 1 16 24 1 17 18 1 17 21 1 18 27 1 19 27 1 21 20 -2 20 22 1 27 22 -2 23 25 1 23 26 1 24 26 1 24 27 1', 'C20H30O5', 350.227, 'P', 'np07_1053_1', 4204, '', '', '1', 47, NULL, NULL),
(16782, 'Alboatisin B', '', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@:8]14[C:15](=O)[C:16](=[CH2:17])[C@@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH:18]=O)[C@H:13](O)[C@H:14]4O', '[H][C@]23C[C@@H](O)[C@]14C(=O)C(=C)[C@@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)C=O)[C@H](O)[C@H]4O', '[H][C@:45]23[CH2:32][C@@H:71](O)[C@:57]14[C:200](=O)[C:146](=[CH2:118])[C@@H:44]([CH2:21][C@@:48]1([H])[C@:38]2([CH3:14])[CH2:38][CH2:17][CH2:32][C@:49]3([CH3:16])[CH:206]=O)[C@H:77](O)[C@H:76]4O', '27 30 H 16.02 -13.03 H 17.26 -11.00 C:17 21.01 -7.71 C:19 13.75 -13.71 C:20 16.02 -9.16 O 15.32 -15.16 O 20.94 -10.60 O 19.73 -12.70 O 16.59 -9.52 O 20.59 -9.16 C:18 15.74 -13.82 C:2 13.54 -10.60 C:3 13.54 -12.02 C:1 14.75 -9.88 C:6 17.26 -12.75 C:11 17.26 -8.45 C:16 19.73 -8.45 C:15 19.73 -9.88 C:7 18.49 -12.02 C:13 17.89 -9.00 C:14 19.24 -9.52 C:12 18.49 -7.71 C:5 16.02 -12.02 C:9 17.26 -9.88 C:4 14.75 -12.75 C:10 16.02 -10.60 C:8 18.49 -10.60 23 1 -1 24 2 -1 3 17 2 25 4 -2 26 5 -2 6 11 2 7 18 2 19 8 -2 20 9 -1 21 10 -1 25 11 -1 12 13 1 12 14 1 13 25 1 14 26 1 15 19 1 15 23 1 16 22 1 16 24 1 17 18 1 17 22 1 18 27 1 19 27 1 20 21 1 22 20 -2 27 21 -2 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.02 -13.03 H 17.26 -11.00 C 21.01 -7.71 C 13.75 -13.71 C 16.02 -9.16 O 15.32 -15.16 O 20.94 -10.60 O 19.73 -12.70 O 16.59 -9.52 O 20.59 -9.16 C 15.74 -13.82 C 13.54 -10.60 C 13.54 -12.02 C 14.75 -9.88 C 17.26 -12.75 C 17.26 -8.45 C 19.73 -8.45 C 19.73 -9.88 C 18.49 -12.02 C 17.89 -9.00 C 19.24 -9.52 C 18.49 -7.71 C 16.02 -12.02 C 17.26 -9.88 C 14.75 -12.75 C 16.02 -10.60 C 18.49 -10.60 23 1 -1 24 2 -1 3 17 2 25 4 -2 26 5 -2 6 11 2 7 18 2 19 8 -2 20 9 -1 21 10 -1 25 11 -1 12 13 1 12 14 1 13 25 1 14 26 1 15 19 1 15 23 1 16 22 1 16 24 1 17 18 1 17 22 1 18 27 1 19 27 1 20 21 1 22 20 -2 27 21 -2 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.02 -13.03 H 17.26 -11.00 C:118 21.01 -7.71 C:16 13.75 -13.71 C:14 16.02 -9.16 O 15.32 -15.16 O 20.94 -10.60 O 19.73 -12.70 O 16.59 -9.52 O 20.59 -9.16 C:206 15.74 -13.82 C:17 13.54 -10.60 C:32 13.54 -12.02 C:38 14.75 -9.88 C:32 17.26 -12.75 C:21 17.26 -8.45 C:146 19.73 -8.45 C:200 19.73 -9.88 C:71 18.49 -12.02 C:77 17.89 -9.00 C:76 19.24 -9.52 C:44 18.49 -7.71 C:45 16.02 -12.02 C:48 17.26 -9.88 C:49 14.75 -12.75 C:38 16.02 -10.60 C:57 18.49 -10.60 23 1 -1 24 2 -1 3 17 2 25 4 -2 26 5 -2 6 11 2 7 18 2 19 8 -2 20 9 -1 21 10 -1 25 11 -1 12 13 1 12 14 1 13 25 1 14 26 1 15 19 1 15 23 1 16 22 1 16 24 1 17 18 1 17 22 1 18 27 1 19 27 1 20 21 1 22 20 -2 27 21 -2 23 25 1 23 26 1 24 26 1 24 27 1', 'C20H28O5', 348.227, 'P', 'np07_1053_2', 4204, '', '', '1', 47, NULL, NULL),
(16783, 'Alboatisin C', '', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@@:8]14[CH2:14][C@@H:13](O)[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O)[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23C[C@@H](O)[C@@]14C[C@@H](O)[C@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)CO)C(=C)C4=O', '[H][C@:46]23[CH2:28][C@@H:70](O)[C@@:52]14[CH2:29][C@@H:67](O)[C@H:45]([CH2:21][C@@:48]1([H])[C@:39]2([CH3:17])[CH2:39][CH2:18][CH2:36][C@:38]3([CH3:18])[CH2:71]O)[C:147](=[CH2:118])[C:203]4=O', '26 29 H 16.03 -13.04 H 17.27 -11.01 C:17 21.01 -7.72 C:19 13.75 -13.72 C:20 16.03 -9.17 O 20.94 -10.61 O 15.32 -15.16 O 16.60 -9.53 O 19.73 -12.76 C:2 13.54 -10.61 C:18 15.74 -13.83 C:3 13.54 -12.03 C:1 14.75 -9.89 C:6 17.27 -12.76 C:11 17.27 -8.46 C:14 19.24 -9.53 C:16 19.73 -8.46 C:15 19.73 -9.89 C:13 17.90 -9.01 C:7 18.49 -12.03 C:12 18.49 -7.72 C:5 16.03 -12.03 C:9 17.27 -9.89 C:4 14.75 -12.76 C:10 16.03 -10.61 C:8 18.49 -10.61 22 1 -1 23 2 -1 3 17 2 24 4 -2 25 5 -2 6 18 2 7 11 1 19 8 -1 20 9 -2 10 12 1 10 13 1 24 11 -1 12 24 1 13 25 1 14 20 1 14 22 1 15 21 1 15 23 1 16 19 1 26 16 -2 17 18 1 17 21 1 18 26 1 21 19 -2 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 16.03 -13.04 H 17.27 -11.01 C 21.01 -7.72 C 13.75 -13.72 C 16.03 -9.17 O 20.94 -10.61 O 15.32 -15.16 O 16.60 -9.53 O 19.73 -12.76 C 13.54 -10.61 C 15.74 -13.83 C 13.54 -12.03 C 14.75 -9.89 C 17.27 -12.76 C 17.27 -8.46 C 19.24 -9.53 C 19.73 -8.46 C 19.73 -9.89 C 17.90 -9.01 C 18.49 -12.03 C 18.49 -7.72 C 16.03 -12.03 C 17.27 -9.89 C 14.75 -12.76 C 16.03 -10.61 C 18.49 -10.61 22 1 -1 23 2 -1 3 17 2 24 4 -2 25 5 -2 6 18 2 7 11 1 19 8 -1 20 9 -2 10 12 1 10 13 1 24 11 -1 12 24 1 13 25 1 14 20 1 14 22 1 15 21 1 15 23 1 16 19 1 26 16 -2 17 18 1 17 21 1 18 26 1 21 19 -2 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 16.03 -13.04 H 17.27 -11.01 C:118 21.01 -7.72 C:18 13.75 -13.72 C:17 16.03 -9.17 O 20.94 -10.61 O 15.32 -15.16 O 16.60 -9.53 O 19.73 -12.76 C:18 13.54 -10.61 C:71 15.74 -13.83 C:36 13.54 -12.03 C:39 14.75 -9.89 C:28 17.27 -12.76 C:21 17.27 -8.46 C:29 19.24 -9.53 C:147 19.73 -8.46 C:203 19.73 -9.89 C:67 17.90 -9.01 C:70 18.49 -12.03 C:45 18.49 -7.72 C:46 16.03 -12.03 C:48 17.27 -9.89 C:38 14.75 -12.76 C:39 16.03 -10.61 C:52 18.49 -10.61 22 1 -1 23 2 -1 3 17 2 24 4 -2 25 5 -2 6 18 2 7 11 1 19 8 -1 20 9 -2 10 12 1 10 13 1 24 11 -1 12 24 1 13 25 1 14 20 1 14 22 1 15 21 1 15 23 1 16 19 1 26 16 -2 17 18 1 17 21 1 18 26 1 21 19 -2 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H30O4', 334.227, 'P', 'np07_1053_3', 4204, '', '', '1', 47, NULL, NULL),
(16784, 'Crotonkinin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:5]23[CH2:6][C:7](=O)[C@@:8]14[CH2:15][C:16](=[CH2:17])[C@H:13]([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18])[C@@H:14]4O', '[H][C@@]23CC(=O)[C@@]14CC(=C)[C@H](CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C)[C@@H]4O', '[H][C@@:54]23[CH2:38][C:213](=O)[C@@:63]14[CH2:38][C:152](=[CH2:108])[C@H:50]([CH2:32][CH2:17][C@:60]1([H])[C@@:39]2([CH3:17])[CH2:40][CH2:18][CH2:42][C@@:34]3([CH3:21])[CH3:33])[C@@H:78]4O', '24 27 H 15.43 -13.61 H 16.63 -11.52 C:17 21.52 -9.88 C:19 15.15 -14.36 C:18 13.21 -14.27 C:20 15.43 -9.88 O 19.06 -13.33 O 20.83 -11.24 C:2 13.02 -11.24 C:12 17.83 -8.46 C:3 13.02 -12.62 C:1 14.21 -10.56 C:11 16.63 -9.16 C:6 16.63 -13.33 C:15 19.38 -11.64 C:16 20.16 -10.17 C:7 17.83 -12.62 C:13 19.06 -9.16 C:14 19.06 -10.56 C:4 14.21 -13.33 C:5 15.43 -12.62 C:9 16.63 -10.56 C:10 15.43 -11.24 C:8 17.83 -11.24 21 1 -2 22 2 -2 3 16 2 20 4 -1 20 5 -2 23 6 -1 7 17 2 19 8 -2 9 11 1 9 12 1 10 13 1 10 18 1 11 20 1 12 23 1 13 22 1 14 17 1 14 21 1 15 16 1 15 24 1 16 18 1 17 24 1 18 19 -1 24 19 -1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.43 -13.61 H 16.63 -11.52 C 21.52 -9.88 C 15.15 -14.36 C 13.21 -14.27 C 15.43 -9.88 O 19.06 -13.33 O 20.83 -11.24 C 13.02 -11.24 C 17.83 -8.46 C 13.02 -12.62 C 14.21 -10.56 C 16.63 -9.16 C 16.63 -13.33 C 19.38 -11.64 C 20.16 -10.17 C 17.83 -12.62 C 19.06 -9.16 C 19.06 -10.56 C 14.21 -13.33 C 15.43 -12.62 C 16.63 -10.56 C 15.43 -11.24 C 17.83 -11.24 21 1 -2 22 2 -2 3 16 2 20 4 -1 20 5 -2 23 6 -1 7 17 2 19 8 -2 9 11 1 9 12 1 10 13 1 10 18 1 11 20 1 12 23 1 13 22 1 14 17 1 14 21 1 15 16 1 15 24 1 16 18 1 17 24 1 18 19 -1 24 19 -1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.43 -13.61 H 16.63 -11.52 C:108 21.52 -9.88 C:21 15.15 -14.36 C:33 13.21 -14.27 C:17 15.43 -9.88 O 19.06 -13.33 O 20.83 -11.24 C:18 13.02 -11.24 C:32 17.83 -8.46 C:42 13.02 -12.62 C:40 14.21 -10.56 C:17 16.63 -9.16 C:38 16.63 -13.33 C:38 19.38 -11.64 C:152 20.16 -10.17 C:213 17.83 -12.62 C:50 19.06 -9.16 C:78 19.06 -10.56 C:34 14.21 -13.33 C:54 15.43 -12.62 C:60 16.63 -10.56 C:39 15.43 -11.24 C:63 17.83 -11.24 21 1 -2 22 2 -2 3 16 2 20 4 -1 20 5 -2 23 6 -1 7 17 2 19 8 -2 9 11 1 9 12 1 10 13 1 10 18 1 11 20 1 12 23 1 13 22 1 14 17 1 14 21 1 15 16 1 15 24 1 16 18 1 17 24 1 18 19 -1 24 19 -1 20 21 1 21 23 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', 'np07_1906_1', 4205, '', '', '1', 47, NULL, NULL),
(16785, 'Crotonkinin B', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[C:16]([CH:17]=O)[C@H:13]([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O)[C@@H:14]4O[C:14001]([CH3:14002])=O', '[H][C@@]23CC[C@@]14C=C(C=O)[C@H](CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)CO)[C@@H]4OC(C)=O', '[H][C@@:48]23[CH2:18][CH2:42][C@@:49]14[CH:163]=[C:151]([CH:189]=O)[C@H:36]([CH2:38][CH2:35][C@:55]1([H])[C@@:39]2([CH3:18])[CH2:39][CH2:18][CH2:35][C@@:37]3([CH3:18])[CH2:72]O)[C@@H:69]4O[C:169]([CH3:21])=O', '28 31 H 14.98 -12.95 H 16.17 -10.86 C:14002 21.89 -12.46 C:19 12.76 -13.61 C:20 14.98 -9.21 O 21.51 -7.88 O 19.51 -12.85 O 14.28 -15.04 C:17 21.07 -9.21 C:15 18.92 -10.98 C:2 12.57 -10.58 C:18 14.70 -13.70 C:12 17.37 -7.79 C:3 12.57 -11.96 C:1 13.76 -9.89 C:11 16.17 -8.49 C:6 16.17 -12.67 C:7 17.37 -11.96 O 20.38 -10.58 C:14001 20.60 -11.96 C:16 19.70 -9.50 C:13 18.60 -8.49 C:14 18.60 -9.89 C:4 13.76 -12.67 C:5 14.98 -11.96 C:9 16.17 -9.89 C:10 14.98 -10.58 C:8 17.37 -10.58 25 1 -2 26 2 -2 3 20 1 24 4 -1 27 5 -1 6 9 2 7 20 2 8 12 1 9 21 1 10 21 2 10 28 1 11 14 1 11 15 1 24 12 -2 13 16 1 13 22 1 14 24 1 15 27 1 16 26 1 17 18 1 17 25 1 18 28 1 19 20 1 23 19 -2 21 22 1 22 23 -1 28 23 -1 24 25 1 25 27 1 26 27 1 26 28 1', '28 31 H 14.98 -12.95 H 16.17 -10.86 C 21.89 -12.46 C 12.76 -13.61 C 14.98 -9.21 O 21.51 -7.88 O 19.51 -12.85 O 14.28 -15.04 C 21.07 -9.21 C 18.92 -10.98 C 12.57 -10.58 C 14.70 -13.70 C 17.37 -7.79 C 12.57 -11.96 C 13.76 -9.89 C 16.17 -8.49 C 16.17 -12.67 C 17.37 -11.96 O 20.38 -10.58 C 20.60 -11.96 C 19.70 -9.50 C 18.60 -8.49 C 18.60 -9.89 C 13.76 -12.67 C 14.98 -11.96 C 16.17 -9.89 C 14.98 -10.58 C 17.37 -10.58 25 1 -2 26 2 -2 3 20 1 24 4 -1 27 5 -1 6 9 2 7 20 2 8 12 1 9 21 1 10 21 2 10 28 1 11 14 1 11 15 1 24 12 -2 13 16 1 13 22 1 14 24 1 15 27 1 16 26 1 17 18 1 17 25 1 18 28 1 19 20 1 23 19 -2 21 22 1 22 23 -1 28 23 -1 24 25 1 25 27 1 26 27 1 26 28 1', '28 31 H 14.98 -12.95 H 16.17 -10.86 C:21 21.89 -12.46 C:18 12.76 -13.61 C:18 14.98 -9.21 O 21.51 -7.88 O 19.51 -12.85 O 14.28 -15.04 C:189 21.07 -9.21 C:163 18.92 -10.98 C:18 12.57 -10.58 C:72 14.70 -13.70 C:38 17.37 -7.79 C:35 12.57 -11.96 C:39 13.76 -9.89 C:35 16.17 -8.49 C:18 16.17 -12.67 C:42 17.37 -11.96 O 20.38 -10.58 C:169 20.60 -11.96 C:151 19.70 -9.50 C:36 18.60 -8.49 C:69 18.60 -9.89 C:37 13.76 -12.67 C:48 14.98 -11.96 C:55 16.17 -9.89 C:39 14.98 -10.58 C:49 17.37 -10.58 25 1 -2 26 2 -2 3 20 1 24 4 -1 27 5 -1 6 9 2 7 20 2 8 12 1 9 21 1 10 21 2 10 28 1 11 14 1 11 15 1 24 12 -2 13 16 1 13 22 1 14 24 1 15 27 1 16 26 1 17 18 1 17 25 1 18 28 1 19 20 1 23 19 -2 21 22 1 22 23 -1 28 23 -1 24 25 1 25 27 1 26 27 1 26 28 1', 'C22H32O4', 360.249, 'C', 'np07_1906_2', 4205, '', '', '1', 47, NULL, NULL),
(16786, 'Pterokaurane M1', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C@H:2](O)[CH2:3][C@:4]3([CH3:19])[CH2:18]O)[C:16](=[CH2:17])[C@@H:15]4O', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)C[C@H](O)C[C@]3(C)CO)C(=C)[C@@H]4O', '[H][C@:48]23[CH2:19][CH2:35][C@@:47]14[CH2:36][C@H:42]([CH2:33][CH2:18][C@@:54]1([H])[C@:41]2([CH3:19])[CH2:49][C@H:63](O)[CH2:45][C@:39]3([CH3:19])[CH2:70]O)[C:160](=[CH2:108])[C@@H:81]4O', '25 28 H 15.97 -13.00 H 17.19 -10.87 C:17 22.17 -9.19 C:19 13.71 -13.67 C:20 15.97 -9.19 O 15.28 -15.10 O 12.31 -9.90 O 20.57 -12.18 C:18 15.69 -13.76 C:12 18.41 -7.76 C:11 17.19 -8.47 C:6 17.19 -12.73 C:7 18.41 -12.00 C:3 13.51 -12.00 C:1 14.72 -9.90 C:14 19.63 -9.90 C:16 20.79 -9.47 C:2 13.51 -10.59 C:13 19.63 -8.47 C:15 19.99 -10.87 C:5 15.97 -12.00 C:9 17.19 -9.90 C:4 14.72 -12.73 C:10 15.97 -10.59 C:8 18.41 -10.59 21 1 -1 22 2 -1 3 17 2 23 4 -2 24 5 -2 6 9 1 18 7 -1 20 8 -2 23 9 -1 10 11 1 10 19 1 11 22 1 12 13 1 12 21 1 13 25 1 14 18 1 14 23 1 15 18 1 15 24 1 19 16 -2 25 16 -2 17 19 1 17 20 1 20 25 1 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 15.97 -13.00 H 17.19 -10.87 C 22.17 -9.19 C 13.71 -13.67 C 15.97 -9.19 O 15.28 -15.10 O 12.31 -9.90 O 20.57 -12.18 C 15.69 -13.76 C 18.41 -7.76 C 17.19 -8.47 C 17.19 -12.73 C 18.41 -12.00 C 13.51 -12.00 C 14.72 -9.90 C 19.63 -9.90 C 20.79 -9.47 C 13.51 -10.59 C 19.63 -8.47 C 19.99 -10.87 C 15.97 -12.00 C 17.19 -9.90 C 14.72 -12.73 C 15.97 -10.59 C 18.41 -10.59 21 1 -1 22 2 -1 3 17 2 23 4 -2 24 5 -2 6 9 1 18 7 -1 20 8 -2 23 9 -1 10 11 1 10 19 1 11 22 1 12 13 1 12 21 1 13 25 1 14 18 1 14 23 1 15 18 1 15 24 1 19 16 -2 25 16 -2 17 19 1 17 20 1 20 25 1 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 15.97 -13.00 H 17.19 -10.87 C:108 22.17 -9.19 C:19 13.71 -13.67 C:19 15.97 -9.19 O 15.28 -15.10 O 12.31 -9.90 O 20.57 -12.18 C:70 15.69 -13.76 C:33 18.41 -7.76 C:18 17.19 -8.47 C:19 17.19 -12.73 C:35 18.41 -12.00 C:45 13.51 -12.00 C:49 14.72 -9.90 C:36 19.63 -9.90 C:160 20.79 -9.47 C:63 13.51 -10.59 C:42 19.63 -8.47 C:81 19.99 -10.87 C:48 15.97 -12.00 C:54 17.19 -9.90 C:39 14.72 -12.73 C:41 15.97 -10.59 C:47 18.41 -10.59 21 1 -1 22 2 -1 3 17 2 23 4 -2 24 5 -2 6 9 1 18 7 -1 20 8 -2 23 9 -1 10 11 1 10 19 1 11 22 1 12 13 1 12 21 1 13 25 1 14 18 1 14 23 1 15 18 1 15 24 1 19 16 -2 25 16 -2 17 19 1 17 20 1 20 25 1 21 23 1 21 24 1 22 24 1 22 25 1', 'C20H32O3', 320.228, 'D', 'np08_227_1', 4206, '', '', '1', 47, NULL, NULL),
(16787, 'Pterokaurane M2', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[C@@H:15](O)[C:16](=[CH2:17])[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C@H:2](O)[CH2:3][C@:4]3([CH3:19])[CH2:18]O)[C@H:14]4O', '[H][C@]23CC[C@]14[C@@H](O)C(=C)[C@@H](CC[C@@]1([H])[C@]2(C)C[C@H](O)C[C@]3(C)CO)[C@H]4O', '[H][C@:49]23[CH2:19][CH2:33][C@:53]14[C@@H:84](O)[C:160](=[CH2:111])[C@@H:51]([CH2:28][CH2:18][C@@:57]1([H])[C@:41]2([CH3:20])[CH2:50][C@H:64](O)[CH2:46][C@:40]3([CH3:19])[CH2:71]O)[C@H:77]4O', '26 29 H 16.04 -12.98 H 17.24 -10.89 C:17 22.12 -9.25 C:19 13.81 -13.64 C:20 16.04 -9.25 O 15.35 -15.06 O 12.43 -9.90 O 20.51 -12.31 O 21.43 -10.61 C:18 15.76 -13.73 C:12 18.44 -7.83 C:11 17.24 -8.53 C:6 17.24 -12.70 C:7 18.44 -11.99 C:3 13.63 -11.99 C:1 14.81 -9.90 C:16 20.76 -9.54 C:2 13.63 -10.61 C:15 19.98 -11.01 C:14 19.63 -9.90 C:13 19.63 -8.53 C:5 16.04 -11.99 C:9 17.24 -9.90 C:4 14.81 -12.70 C:10 16.04 -10.61 C:8 18.44 -10.61 22 1 -1 23 2 -1 3 17 2 24 4 -2 25 5 -2 6 10 1 18 7 -1 19 8 -2 20 9 -1 24 10 -1 11 12 1 11 21 1 12 23 1 13 14 1 13 22 1 14 26 1 15 18 1 15 24 1 16 18 1 16 25 1 17 19 1 17 21 1 19 26 1 21 20 -2 26 20 -2 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 16.04 -12.98 H 17.24 -10.89 C 22.12 -9.25 C 13.81 -13.64 C 16.04 -9.25 O 15.35 -15.06 O 12.43 -9.90 O 20.51 -12.31 O 21.43 -10.61 C 15.76 -13.73 C 18.44 -7.83 C 17.24 -8.53 C 17.24 -12.70 C 18.44 -11.99 C 13.63 -11.99 C 14.81 -9.90 C 20.76 -9.54 C 13.63 -10.61 C 19.98 -11.01 C 19.63 -9.90 C 19.63 -8.53 C 16.04 -11.99 C 17.24 -9.90 C 14.81 -12.70 C 16.04 -10.61 C 18.44 -10.61 22 1 -1 23 2 -1 3 17 2 24 4 -2 25 5 -2 6 10 1 18 7 -1 19 8 -2 20 9 -1 24 10 -1 11 12 1 11 21 1 12 23 1 13 14 1 13 22 1 14 26 1 15 18 1 15 24 1 16 18 1 16 25 1 17 19 1 17 21 1 19 26 1 21 20 -2 26 20 -2 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 16.04 -12.98 H 17.24 -10.89 C:111 22.12 -9.25 C:19 13.81 -13.64 C:20 16.04 -9.25 O 15.35 -15.06 O 12.43 -9.90 O 20.51 -12.31 O 21.43 -10.61 C:71 15.76 -13.73 C:28 18.44 -7.83 C:18 17.24 -8.53 C:19 17.24 -12.70 C:33 18.44 -11.99 C:46 13.63 -11.99 C:50 14.81 -9.90 C:160 20.76 -9.54 C:64 13.63 -10.61 C:84 19.98 -11.01 C:77 19.63 -9.90 C:51 19.63 -8.53 C:49 16.04 -11.99 C:57 17.24 -9.90 C:40 14.81 -12.70 C:41 16.04 -10.61 C:53 18.44 -10.61 22 1 -1 23 2 -1 3 17 2 24 4 -2 25 5 -2 6 10 1 18 7 -1 19 8 -2 20 9 -1 24 10 -1 11 12 1 11 21 1 12 23 1 13 14 1 13 22 1 14 26 1 15 18 1 15 24 1 16 18 1 16 25 1 17 19 1 17 21 1 19 26 1 21 20 -2 26 20 -2 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H32O4', 336.227, 'P', 'np08_227_2', 4206, '', '', '1', 47, NULL, NULL),
(16788, 'Pterokaurane M3', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([CH2:7][C@@H:6](O)[C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[CH2:3][C@@H:2](O)[CH2:1][C@@:10]23[CH3:20])[CH2:15][C@:16]4(O)[CH2:17]O', '[H][C@@]12CC[C@H]4C[C@@]1(C[C@@H](O)[C@]3([H])[C@@](C)(C)C[C@@H](O)C[C@@]23C)C[C@]4(O)CO', '[H][C@@:57]12[CH2:19][CH2:27][C@H:46]4[CH2:54][C@@:45]1([CH2:39][C@@H:68](O)[C@:61]3([H])[C@@:36]([CH3:23])([CH3:38])[CH2:55][C@@H:64](O)[CH2:51][C@@:43]23[CH3:20])[CH2:54][C@:81]4(O)[CH2:66]O', '26 29 H 17.33 -11.73 H 16.11 -13.86 C:19 13.86 -14.53 C:18 15.83 -14.62 C:20 16.11 -10.04 O 21.06 -7.90 O 12.44 -10.76 O 17.33 -14.98 O 22.10 -11.09 C:17 21.70 -9.14 C:12 18.56 -8.59 C:11 17.33 -9.31 C:3 13.66 -12.85 C:1 14.87 -10.76 C:7 18.56 -12.85 C:14 19.77 -10.76 C:15 20.13 -11.73 C:2 13.66 -11.45 C:6 17.33 -13.58 C:13 19.77 -9.31 C:4 14.87 -13.58 C:9 17.33 -10.76 C:16 20.94 -10.32 C:10 16.11 -11.45 C:5 16.11 -12.85 C:8 18.56 -11.45 22 1 -1 25 2 -1 21 3 -2 21 4 -1 24 5 -2 6 10 1 18 7 -1 19 8 -1 23 9 -2 23 10 -1 11 12 1 11 20 1 12 22 1 13 18 1 13 21 1 14 18 1 14 24 1 15 19 1 15 26 1 20 16 -2 26 16 -2 17 23 1 17 26 1 19 25 1 20 23 1 21 25 1 22 24 1 22 26 1 24 25 1', '26 29 H 17.33 -11.73 H 16.11 -13.86 C 13.86 -14.53 C 15.83 -14.62 C 16.11 -10.04 O 21.06 -7.90 O 12.44 -10.76 O 17.33 -14.98 O 22.10 -11.09 C 21.70 -9.14 C 18.56 -8.59 C 17.33 -9.31 C 13.66 -12.85 C 14.87 -10.76 C 18.56 -12.85 C 19.77 -10.76 C 20.13 -11.73 C 13.66 -11.45 C 17.33 -13.58 C 19.77 -9.31 C 14.87 -13.58 C 17.33 -10.76 C 20.94 -10.32 C 16.11 -11.45 C 16.11 -12.85 C 18.56 -11.45 22 1 -1 25 2 -1 21 3 -2 21 4 -1 24 5 -2 6 10 1 18 7 -1 19 8 -1 23 9 -2 23 10 -1 11 12 1 11 20 1 12 22 1 13 18 1 13 21 1 14 18 1 14 24 1 15 19 1 15 26 1 20 16 -2 26 16 -2 17 23 1 17 26 1 19 25 1 20 23 1 21 25 1 22 24 1 22 26 1 24 25 1', '26 29 H 17.33 -11.73 H 16.11 -13.86 C:23 13.86 -14.53 C:38 15.83 -14.62 C:20 16.11 -10.04 O 21.06 -7.90 O 12.44 -10.76 O 17.33 -14.98 O 22.10 -11.09 C:66 21.70 -9.14 C:27 18.56 -8.59 C:19 17.33 -9.31 C:55 13.66 -12.85 C:51 14.87 -10.76 C:39 18.56 -12.85 C:54 19.77 -10.76 C:54 20.13 -11.73 C:64 13.66 -11.45 C:68 17.33 -13.58 C:46 19.77 -9.31 C:36 14.87 -13.58 C:57 17.33 -10.76 C:81 20.94 -10.32 C:43 16.11 -11.45 C:61 16.11 -12.85 C:45 18.56 -11.45 22 1 -1 25 2 -1 21 3 -2 21 4 -1 24 5 -2 6 10 1 18 7 -1 19 8 -1 23 9 -2 23 10 -1 11 12 1 11 20 1 12 22 1 13 18 1 13 21 1 14 18 1 14 24 1 15 19 1 15 26 1 20 16 -2 26 16 -2 17 23 1 17 26 1 19 25 1 20 23 1 21 25 1 22 24 1 22 26 1 24 25 1', 'C20H34O4', 338.227, 'P', 'np08_227_3', 4206, '', '', '1', 47, NULL, NULL),
(16789, 'Multifidoside A', '', 'Terpenoids', 'Sesquiterpenoids', 'Illudanes', '[CH3:14][c:7]4[cH:8][c:9]1[c:2]([C:1](=O)[C@@H:11]([CH3:12])[C@@H:10]1O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O[C:201](=O)[CH:202]=[CH:203][c:204]2[cH:209][cH:208][c:207](O)[cH:206][cH:205]2)[C@H:103](O)[C@H:102]3O)[c:3]([CH3:15])[c:6]4[CH2:4][CH2:5]O', 'Cc4cc1c(C(=O)[C@@H](C)[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]3O)c(C)c4CCO', '[CH3:21][c:145]4[cH:126][c:151]1[c:132]([C:206](=O)[C@@H:52]([CH3:14])[C@@H:84]1O[C@@H:106]3O[C@H:76]([CH2:62]O)[C@@H:72](O[C:167](=O)[CH:115]=[CH:146][c:126]2[cH:131][cH:117][c:161](O)[cH:117][cH:131]2)[C@H:76](O)[C@H:75]3O)[c:137]([CH3:14])[c:139]4[CH2:33][CH2:61]O', '39 42 C:14 16.31 -8.71 C:15 18.82 -4.44 C:12 23.67 -7.27 O 16.44 -12.29 O 21.89 -4.80 O 13.94 -5.81 O 16.86 -9.99 O 10.87 -18.40 O 22.76 -12.40 O 20.97 -14.46 C:202 15.92 -14.62 C:203 14.58 -14.33 C:208 11.38 -16.06 C:206 13.14 -17.68 C:209 12.30 -15.05 C:205 14.06 -16.66 C:8 18.82 -8.71 C:5 15.14 -6.51 C:106 17.35 -11.29 C:4 16.31 -5.81 O 18.20 -13.90 O 19.61 -10.53 O 21.89 -9.76 C:201 16.86 -13.61 C:1 21.41 -6.11 C:7 17.55 -8.01 C:207 11.79 -17.39 C:204 13.65 -15.34 C:3 18.82 -5.81 C:6 17.55 -6.51 C:9 20.06 -8.01 C:2 20.06 -6.51 C:11 22.28 -7.27 C:102 21.41 -12.11 C:103 20.50 -13.16 C:105 18.70 -11.57 C:101 20.97 -10.80 C:10 21.41 -8.45 C:104 19.13 -12.88 1 26 1 2 29 1 33 3 -1 4 24 2 5 25 2 6 18 1 7 19 1 8 27 1 34 9 -2 35 10 -1 11 12 2 11 24 1 12 28 1 13 15 1 13 27 2 14 16 2 14 27 1 15 28 2 16 28 1 17 26 1 17 31 2 18 20 1 36 19 -1 20 30 1 21 24 1 39 21 -2 22 36 1 22 37 1 37 23 -1 38 23 -2 25 32 1 25 33 1 26 30 2 29 30 1 29 32 2 31 32 1 31 38 1 33 38 1 34 35 1 34 37 1 35 39 1 36 39 1', '39 42 C 16.31 -8.71 C 18.82 -4.44 C 23.67 -7.27 O 16.44 -12.29 O 21.89 -4.80 O 13.94 -5.81 O 16.86 -9.99 O 10.87 -18.40 O 22.76 -12.40 O 20.97 -14.46 C 15.92 -14.62 C 14.58 -14.33 C 11.38 -16.06 C 13.14 -17.68 C 12.30 -15.05 C 14.06 -16.66 C 18.82 -8.71 C 15.14 -6.51 C 17.35 -11.29 C 16.31 -5.81 O 18.20 -13.90 O 19.61 -10.53 O 21.89 -9.76 C 16.86 -13.61 C 21.41 -6.11 C 17.55 -8.01 C 11.79 -17.39 C 13.65 -15.34 C 18.82 -5.81 C 17.55 -6.51 C 20.06 -8.01 C 20.06 -6.51 C 22.28 -7.27 C 21.41 -12.11 C 20.50 -13.16 C 18.70 -11.57 C 20.97 -10.80 C 21.41 -8.45 C 19.13 -12.88 1 26 1 2 29 1 33 3 -1 4 24 2 5 25 2 6 18 1 7 19 1 8 27 1 34 9 -2 35 10 -1 11 12 2 11 24 1 12 28 1 13 15 1 13 27 2 14 16 2 14 27 1 15 28 2 16 28 1 17 26 1 17 31 2 18 20 1 36 19 -1 20 30 1 21 24 1 39 21 -2 22 36 1 22 37 1 37 23 -1 38 23 -2 25 32 1 25 33 1 26 30 2 29 30 1 29 32 2 31 32 1 31 38 1 33 38 1 34 35 1 34 37 1 35 39 1 36 39 1', '39 42 C:21 16.31 -8.71 C:14 18.82 -4.44 C:14 23.67 -7.27 O 16.44 -12.29 O 21.89 -4.80 O 13.94 -5.81 O 16.86 -9.99 O 10.87 -18.40 O 22.76 -12.40 O 20.97 -14.46 C:115 15.92 -14.62 C:146 14.58 -14.33 C:117 11.38 -16.06 C:117 13.14 -17.68 C:131 12.30 -15.05 C:131 14.06 -16.66 C:126 18.82 -8.71 C:61 15.14 -6.51 C:62 17.35 -11.29 C:33 16.31 -5.81 O 18.20 -13.90 O 19.61 -10.53 O 21.89 -9.76 C:167 16.86 -13.61 C:206 21.41 -6.11 C:145 17.55 -8.01 C:161 11.79 -17.39 C:126 13.65 -15.34 C:137 18.82 -5.81 C:139 17.55 -6.51 C:151 20.06 -8.01 C:132 20.06 -6.51 C:52 22.28 -7.27 C:75 21.41 -12.11 C:76 20.50 -13.16 C:76 18.70 -11.57 C:106 20.97 -10.80 C:84 21.41 -8.45 C:72 19.13 -12.88 1 26 1 2 29 1 33 3 -1 4 24 2 5 25 2 6 18 1 7 19 1 8 27 1 34 9 -2 35 10 -1 11 12 2 11 24 1 12 28 1 13 15 1 13 27 2 14 16 2 14 27 1 15 28 2 16 28 1 17 26 1 17 31 2 18 20 1 36 19 -1 20 30 1 21 24 1 39 21 -2 22 36 1 22 37 1 37 23 -1 38 23 -2 25 32 1 25 33 1 26 30 2 29 30 1 29 32 2 31 32 1 31 38 1 33 38 1 34 35 1 34 37 1 35 39 1 36 39 1', 'C29H34O10', 542.304, 'P', 'np08_227_4', 4206, '', '1', '1', 47, NULL, NULL),
(16790, 'Multiﬁdoside B', '', 'Terpenoids', 'Sesquiterpenoids', 'Illudanes', '[CH3:14][c:7]4[cH:8][c:9]1[c:2]([C:1](=O)[C@H:11]([CH3:12])[C@@H:10]1O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O[C:201](=O)[CH:202]=[CH:203][c:204]2[cH:205][cH:206][c:207](O)[cH:208][cH:209]2)[C@H:103](O)[C@H:102]3O)[c:3]([CH3:15])[c:6]4[CH2:4][CH2:5]O', 'Cc4cc1c(C(=O)[C@H](C)[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]3O)c(C)c4CCO', '[CH3:21][c:144]4[cH:127][c:151]1[c:132]([C:207](=O)[C@H:49]([CH3:12])[C@@H:76]1O[C@@H:104]3O[C@H:76]([CH2:62]O)[C@@H:73](O[C:167](=O)[CH:115]=[CH:146][c:126]2[cH:131][cH:117][c:161](O)[cH:117][cH:131]2)[C@H:77](O)[C@H:75]3O)[c:137]([CH3:14])[c:139]4[CH2:33][CH2:61]O', '39 42 C:14 16.32 -8.71 C:15 18.82 -4.44 C:12 23.67 -7.27 O 16.45 -12.29 O 21.89 -4.80 O 13.94 -5.81 O 16.87 -9.99 O 10.87 -18.40 O 22.76 -12.40 O 20.97 -14.46 C:202 15.93 -14.62 C:203 14.58 -14.33 C:206 13.14 -17.68 C:208 11.38 -16.07 C:205 14.06 -16.67 C:209 12.30 -15.05 C:8 18.82 -8.71 C:5 15.14 -6.51 C:106 17.36 -11.29 C:4 16.32 -5.81 O 18.20 -13.90 O 19.61 -10.53 O 21.89 -9.76 C:201 16.87 -13.61 C:1 21.41 -6.11 C:7 17.55 -8.01 C:207 11.79 -17.40 C:204 13.65 -15.34 C:3 18.82 -5.81 C:6 17.55 -6.51 C:9 20.06 -8.01 C:2 20.06 -6.51 C:11 22.28 -7.27 C:102 21.41 -12.11 C:103 20.50 -13.16 C:105 18.70 -11.57 C:101 20.97 -10.80 C:10 21.41 -8.45 C:104 19.13 -12.88 1 26 1 2 29 1 33 3 -2 4 24 2 5 25 2 6 18 1 7 19 1 8 27 1 34 9 -2 35 10 -1 11 12 2 11 24 1 12 28 1 13 15 2 13 27 1 14 16 1 14 27 2 15 28 1 16 28 2 17 26 1 17 31 2 18 20 1 36 19 -1 20 30 1 21 24 1 39 21 -2 22 36 1 22 37 1 37 23 -1 38 23 -2 25 32 1 25 33 1 26 30 2 29 30 1 29 32 2 31 32 1 31 38 1 33 38 1 34 35 1 34 37 1 35 39 1 36 39 1', '39 42 C 16.32 -8.71 C 18.82 -4.44 C 23.67 -7.27 O 16.45 -12.29 O 21.89 -4.80 O 13.94 -5.81 O 16.87 -9.99 O 10.87 -18.40 O 22.76 -12.40 O 20.97 -14.46 C 15.93 -14.62 C 14.58 -14.33 C 13.14 -17.68 C 11.38 -16.07 C 14.06 -16.67 C 12.30 -15.05 C 18.82 -8.71 C 15.14 -6.51 C 17.36 -11.29 C 16.32 -5.81 O 18.20 -13.90 O 19.61 -10.53 O 21.89 -9.76 C 16.87 -13.61 C 21.41 -6.11 C 17.55 -8.01 C 11.79 -17.40 C 13.65 -15.34 C 18.82 -5.81 C 17.55 -6.51 C 20.06 -8.01 C 20.06 -6.51 C 22.28 -7.27 C 21.41 -12.11 C 20.50 -13.16 C 18.70 -11.57 C 20.97 -10.80 C 21.41 -8.45 C 19.13 -12.88 1 26 1 2 29 1 33 3 -2 4 24 2 5 25 2 6 18 1 7 19 1 8 27 1 34 9 -2 35 10 -1 11 12 2 11 24 1 12 28 1 13 15 2 13 27 1 14 16 1 14 27 2 15 28 1 16 28 2 17 26 1 17 31 2 18 20 1 36 19 -1 20 30 1 21 24 1 39 21 -2 22 36 1 22 37 1 37 23 -1 38 23 -2 25 32 1 25 33 1 26 30 2 29 30 1 29 32 2 31 32 1 31 38 1 33 38 1 34 35 1 34 37 1 35 39 1 36 39 1', '39 42 C:21 16.32 -8.71 C:14 18.82 -4.44 C:12 23.67 -7.27 O 16.45 -12.29 O 21.89 -4.80 O 13.94 -5.81 O 16.87 -9.99 O 10.87 -18.40 O 22.76 -12.40 O 20.97 -14.46 C:115 15.93 -14.62 C:146 14.58 -14.33 C:117 13.14 -17.68 C:117 11.38 -16.07 C:131 14.06 -16.67 C:131 12.30 -15.05 C:127 18.82 -8.71 C:61 15.14 -6.51 C:62 17.36 -11.29 C:33 16.32 -5.81 O 18.20 -13.90 O 19.61 -10.53 O 21.89 -9.76 C:167 16.87 -13.61 C:207 21.41 -6.11 C:144 17.55 -8.01 C:161 11.79 -17.40 C:126 13.65 -15.34 C:137 18.82 -5.81 C:139 17.55 -6.51 C:151 20.06 -8.01 C:132 20.06 -6.51 C:49 22.28 -7.27 C:75 21.41 -12.11 C:77 20.50 -13.16 C:76 18.70 -11.57 C:104 20.97 -10.80 C:76 21.41 -8.45 C:73 19.13 -12.88 1 26 1 2 29 1 33 3 -2 4 24 2 5 25 2 6 18 1 7 19 1 8 27 1 34 9 -2 35 10 -1 11 12 2 11 24 1 12 28 1 13 15 2 13 27 1 14 16 1 14 27 2 15 28 1 16 28 2 17 26 1 17 31 2 18 20 1 36 19 -1 20 30 1 21 24 1 39 21 -2 22 36 1 22 37 1 37 23 -1 38 23 -2 25 32 1 25 33 1 26 30 2 29 30 1 29 32 2 31 32 1 31 38 1 33 38 1 34 35 1 34 37 1 35 39 1 36 39 1', 'C29H34O10', 542.304, 'P', 'np08_227_5', 4206, '', '1', '1', 47, NULL, NULL),
(16791, 'Multiﬁdoside C', '', 'Terpenoids', 'Sesquiterpenoids', 'Illudanes', '[CH3:14][c:7]2[cH:8][c:9]1[CH2:10][C@@H:11]([CH3:12])[C:1](=O)[c:2]1[c:3]([CH3:15])[c:6]2[CH2:4][CH2:5]O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O[C:201](=O)[CH:202]=[CH:203][c:204]3[cH:205][cH:206][c:207](O)[cH:208][cH:209]3)[C@H:103](O)[C@H:102]4O', 'Cc2cc1C[C@@H](C)C(=O)c1c(C)c2CCO[C@@H]4O[C@H](CO)[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H]4O', '[CH3:21][c:144]2[cH:126][c:153]1[CH2:34][C@@H:43]([CH3:17])[C:210](=O)[c:132]1[c:138]([CH3:14])[c:136]2[CH2:30][CH2:68]O[C@@H:105]4O[C@H:76]([CH2:62]O)[C@@H:73](O[C:167](=O)[CH:115]=[CH:146][c:126]3[cH:131][cH:117][c:162](O)[cH:117][cH:131]3)[C@H:77](O)[C@H:75]4O', '38 41 C:14 21.43 -12.56 C:15 23.91 -8.35 C:12 28.68 -11.13 O 13.09 -10.36 O 26.93 -8.70 O 14.30 -8.28 O 5.84 -14.58 O 19.10 -12.47 O 16.70 -13.86 C:202 11.89 -12.47 C:203 10.67 -11.76 C:206 8.25 -14.58 C:208 7.04 -12.47 C:205 9.46 -13.86 C:209 8.25 -11.76 C:8 23.91 -12.56 C:106 14.30 -9.68 C:5 20.27 -10.36 C:4 21.43 -9.68 C:10 26.46 -12.30 O 19.10 -9.68 O 14.30 -12.47 O 16.70 -9.68 C:201 13.09 -11.76 C:1 26.46 -9.99 C:7 22.65 -11.87 C:207 7.04 -13.86 C:204 9.46 -12.47 C:3 23.91 -9.68 C:9 25.13 -11.87 C:6 22.65 -10.36 C:2 25.13 -10.36 C:11 27.32 -11.13 C:102 17.90 -11.76 C:103 16.70 -12.47 C:105 15.51 -10.37 C:101 17.90 -10.36 C:104 15.51 -11.76 1 26 1 2 29 1 33 3 -2 4 24 2 5 25 2 6 17 1 7 27 1 34 8 -2 35 9 -1 10 11 2 10 24 1 11 28 1 12 14 2 12 27 1 13 15 1 13 27 2 14 28 1 15 28 2 16 26 1 16 30 2 36 17 -1 18 19 1 18 21 1 19 31 1 20 30 1 20 33 1 37 21 -1 22 24 1 38 22 -2 23 36 1 23 37 1 25 32 1 25 33 1 26 31 2 29 31 1 29 32 2 30 32 1 34 35 1 34 37 1 35 38 1 36 38 1', '38 41 C 21.43 -12.56 C 23.91 -8.35 C 28.68 -11.13 O 13.09 -10.36 O 26.93 -8.70 O 14.30 -8.28 O 5.84 -14.58 O 19.10 -12.47 O 16.70 -13.86 C 11.89 -12.47 C 10.67 -11.76 C 8.25 -14.58 C 7.04 -12.47 C 9.46 -13.86 C 8.25 -11.76 C 23.91 -12.56 C 14.30 -9.68 C 20.27 -10.36 C 21.43 -9.68 C 26.46 -12.30 O 19.10 -9.68 O 14.30 -12.47 O 16.70 -9.68 C 13.09 -11.76 C 26.46 -9.99 C 22.65 -11.87 C 7.04 -13.86 C 9.46 -12.47 C 23.91 -9.68 C 25.13 -11.87 C 22.65 -10.36 C 25.13 -10.36 C 27.32 -11.13 C 17.90 -11.76 C 16.70 -12.47 C 15.51 -10.37 C 17.90 -10.36 C 15.51 -11.76 1 26 1 2 29 1 33 3 -2 4 24 2 5 25 2 6 17 1 7 27 1 34 8 -2 35 9 -1 10 11 2 10 24 1 11 28 1 12 14 2 12 27 1 13 15 1 13 27 2 14 28 1 15 28 2 16 26 1 16 30 2 36 17 -1 18 19 1 18 21 1 19 31 1 20 30 1 20 33 1 37 21 -1 22 24 1 38 22 -2 23 36 1 23 37 1 25 32 1 25 33 1 26 31 2 29 31 1 29 32 2 30 32 1 34 35 1 34 37 1 35 38 1 36 38 1', '38 41 C:21 21.43 -12.56 C:14 23.91 -8.35 C:17 28.68 -11.13 O 13.09 -10.36 O 26.93 -8.70 O 14.30 -8.28 O 5.84 -14.58 O 19.10 -12.47 O 16.70 -13.86 C:115 11.89 -12.47 C:146 10.67 -11.76 C:117 8.25 -14.58 C:117 7.04 -12.47 C:131 9.46 -13.86 C:131 8.25 -11.76 C:126 23.91 -12.56 C:62 14.30 -9.68 C:68 20.27 -10.36 C:30 21.43 -9.68 C:34 26.46 -12.30 O 19.10 -9.68 O 14.30 -12.47 O 16.70 -9.68 C:167 13.09 -11.76 C:210 26.46 -9.99 C:144 22.65 -11.87 C:162 7.04 -13.86 C:126 9.46 -12.47 C:138 23.91 -9.68 C:153 25.13 -11.87 C:136 22.65 -10.36 C:132 25.13 -10.36 C:43 27.32 -11.13 C:75 17.90 -11.76 C:77 16.70 -12.47 C:76 15.51 -10.37 C:105 17.90 -10.36 C:73 15.51 -11.76 1 26 1 2 29 1 33 3 -2 4 24 2 5 25 2 6 17 1 7 27 1 34 8 -2 35 9 -1 10 11 2 10 24 1 11 28 1 12 14 2 12 27 1 13 15 1 13 27 2 14 28 1 15 28 2 16 26 1 16 30 2 36 17 -1 18 19 1 18 21 1 19 31 1 20 30 1 20 33 1 37 21 -1 22 24 1 38 22 -2 23 36 1 23 37 1 25 32 1 25 33 1 26 31 2 29 31 1 29 32 2 30 32 1 34 35 1 34 37 1 35 38 1 36 38 1', 'C29H34O9', 526.305, 'P', 'np08_227_6', 4206, '', '1', '1', 47, NULL, NULL),
(16792, 'Nervonin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O[C:11001]([CH3:11002])=O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C@H:15](O[C:15001]([CH3:15002])=O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]5(O)[CH2:18][C@@:4]4([CH3:19])[C@@H:3](O)[CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@:10]3([CH3:20])[C@@:5]45[H]', '[H][C@@]13[C@@H](OC(C)=O)C[C@H]2C[C@]1([C@H](OC(C)=O)C2=C)[C@@H](OC(C)=O)[C@@]5(O)C[C@@]4(C)[C@@H](O)C[C@H](OC(C)=O)[C@]3(C)[C@@]45[H]', '[H][C@@:51]13[C@@H:70](O[C:170]([CH3:21])=O)[CH2:39][C@H:39]2[CH2:37][C@:49]1([C@H:80](O[C:170]([CH3:21])=O)[C:151]2=[CH2:107])[C@@H:84](O[C:171]([CH3:22])=O)[C@@:78]5(O)[CH2:47][C@@:43]4([CH3:22])[C@@H:75](O)[CH2:35][C@H:81](O[C:171]([CH3:22])=O)[C@:39]3([CH3:12])[C@@:39]45[H]', '40 44 H 16.94 -12.07 H 15.73 -14.16 C:17 21.84 -10.40 C:11002 14.49 -6.95 C:1002 13.29 -7.60 C:15002 22.20 -14.75 C:7002 20.60 -15.95 C:19 13.48 -14.83 C:20 15.73 -10.40 O 16.94 -6.95 O 12.07 -9.65 O 22.44 -12.37 O 18.20 -15.95 O 12.07 -13.85 O 18.13 -14.83 C:12 18.13 -8.97 C:2 13.29 -11.79 C:14 19.39 -11.08 C:18 15.73 -14.83 O 15.73 -8.97 O 14.49 -9.65 O 20.26 -13.36 O 19.39 -13.85 C:11001 15.73 -7.60 C:1001 13.29 -8.97 C:15001 21.63 -13.49 C:7001 19.39 -15.23 C:16 20.48 -10.68 C:13 19.39 -9.65 C:3 13.29 -13.18 C:11 16.94 -9.65 C:1 14.49 -11.08 C:15 19.70 -12.07 C:7 18.13 -13.18 C:9 16.94 -11.08 C:4 14.49 -13.85 C:5 15.73 -13.18 C:6 16.94 -13.85 C:10 15.73 -11.79 C:8 18.13 -11.79 35 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -2 39 9 -2 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -1 38 15 -2 16 29 1 16 31 1 17 30 1 17 32 1 29 18 -2 40 18 -2 36 19 -1 19 38 1 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 33 22 -1 23 27 1 34 23 -1 28 29 1 28 33 1 30 36 1 31 35 1 32 39 1 33 40 1 34 38 1 34 40 1 35 39 1 35 40 1 36 37 1 37 38 1 37 39 1', '40 44 H 16.94 -12.07 H 15.73 -14.16 C 21.84 -10.40 C 14.49 -6.95 C 13.29 -7.60 C 22.20 -14.75 C 20.60 -15.95 C 13.48 -14.83 C 15.73 -10.40 O 16.94 -6.95 O 12.07 -9.65 O 22.44 -12.37 O 18.20 -15.95 O 12.07 -13.85 O 18.13 -14.83 C 18.13 -8.97 C 13.29 -11.79 C 19.39 -11.08 C 15.73 -14.83 O 15.73 -8.97 O 14.49 -9.65 O 20.26 -13.36 O 19.39 -13.85 C 15.73 -7.60 C 13.29 -8.97 C 21.63 -13.49 C 19.39 -15.23 C 20.48 -10.68 C 19.39 -9.65 C 13.29 -13.18 C 16.94 -9.65 C 14.49 -11.08 C 19.70 -12.07 C 18.13 -13.18 C 16.94 -11.08 C 14.49 -13.85 C 15.73 -13.18 C 16.94 -13.85 C 15.73 -11.79 C 18.13 -11.79 35 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -2 39 9 -2 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -1 38 15 -2 16 29 1 16 31 1 17 30 1 17 32 1 29 18 -2 40 18 -2 36 19 -1 19 38 1 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 33 22 -1 23 27 1 34 23 -1 28 29 1 28 33 1 30 36 1 31 35 1 32 39 1 33 40 1 34 38 1 34 40 1 35 39 1 35 40 1 36 37 1 37 38 1 37 39 1', '40 44 H 16.94 -12.07 H 15.73 -14.16 C:107 21.84 -10.40 C:21 14.49 -6.95 C:22 13.29 -7.60 C:21 22.20 -14.75 C:22 20.60 -15.95 C:22 13.48 -14.83 C:12 15.73 -10.40 O 16.94 -6.95 O 12.07 -9.65 O 22.44 -12.37 O 18.20 -15.95 O 12.07 -13.85 O 18.13 -14.83 C:39 18.13 -8.97 C:35 13.29 -11.79 C:37 19.39 -11.08 C:47 15.73 -14.83 O 15.73 -8.97 O 14.49 -9.65 O 20.26 -13.36 O 19.39 -13.85 C:170 15.73 -7.60 C:171 13.29 -8.97 C:170 21.63 -13.49 C:171 19.39 -15.23 C:151 20.48 -10.68 C:39 19.39 -9.65 C:75 13.29 -13.18 C:70 16.94 -9.65 C:81 14.49 -11.08 C:80 19.70 -12.07 C:84 18.13 -13.18 C:51 16.94 -11.08 C:43 14.49 -13.85 C:39 15.73 -13.18 C:78 16.94 -13.85 C:39 15.73 -11.79 C:49 18.13 -11.79 35 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -2 39 9 -2 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -1 38 15 -2 16 29 1 16 31 1 17 30 1 17 32 1 29 18 -2 40 18 -2 36 19 -1 19 38 1 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 33 22 -1 23 27 1 34 23 -1 28 29 1 28 33 1 30 36 1 31 35 1 32 39 1 33 40 1 34 38 1 34 40 1 35 39 1 35 40 1 36 37 1 37 38 1 37 39 1', 'C28H38O10', 534.31, 'C', 'np08_684_1', 4207, '', '', '1', 47, NULL, NULL),
(16793, 'Nervonin B', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](O)[C@]3(C)C)C(=C)C4=O', '[H][C@:40]23[C@@H:70](O[C:172]([CH3:22])=O)[C@H:70](O[C:170]([CH3:21])=O)[C@@:48]14[CH2:36][C@H:36]([CH2:38][C@H:71](O[C:169]([CH3:21])=O)[C@@:56]1([H])[C@:44]2([CH3:14])[C@@H:76](O)[CH2:35][C@H:77](O)[C@:38]3([CH3:24])[CH3:28])[C:149](=[CH2:113])[C:205]4=O', '37 40 H 16.00 -13.45 H 17.19 -11.32 C:17 22.16 -9.59 C:11002 14.72 -6.15 C:6002 16.02 -16.67 C:7002 20.90 -15.18 C:19 13.72 -14.11 C:18 15.69 -14.20 C:20 16.00 -9.64 O 17.21 -6.14 O 14.78 -14.60 O 18.47 -15.24 O 20.56 -12.62 O 12.30 -13.12 O 14.72 -8.94 C:2 13.52 -11.04 C:12 18.41 -8.23 C:14 19.67 -10.33 O 16.00 -8.24 O 17.21 -14.56 O 19.67 -13.12 C:11001 16.00 -6.84 C:6001 16.00 -15.28 C:7001 19.67 -14.51 C:16 20.78 -9.92 C:15 19.98 -11.34 C:13 19.67 -8.93 C:3 13.52 -12.44 C:1 14.72 -10.33 C:11 17.19 -8.93 C:6 17.19 -13.17 C:7 18.41 -12.44 C:4 14.72 -13.17 C:5 15.94 -12.44 C:9 17.21 -10.33 C:10 15.94 -11.04 C:8 18.41 -11.04 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -2 16 28 1 16 29 1 17 27 1 17 30 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 33 1 29 36 1 30 35 1 31 32 1 31 34 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', '37 40 H 16.00 -13.45 H 17.19 -11.32 C 22.16 -9.59 C 14.72 -6.15 C 16.02 -16.67 C 20.90 -15.18 C 13.72 -14.11 C 15.69 -14.20 C 16.00 -9.64 O 17.21 -6.14 O 14.78 -14.60 O 18.47 -15.24 O 20.56 -12.62 O 12.30 -13.12 O 14.72 -8.94 C 13.52 -11.04 C 18.41 -8.23 C 19.67 -10.33 O 16.00 -8.24 O 17.21 -14.56 O 19.67 -13.12 C 16.00 -6.84 C 16.00 -15.28 C 19.67 -14.51 C 20.78 -9.92 C 19.98 -11.34 C 19.67 -8.93 C 13.52 -12.44 C 14.72 -10.33 C 17.19 -8.93 C 17.19 -13.17 C 18.41 -12.44 C 14.72 -13.17 C 15.94 -12.44 C 17.21 -10.33 C 15.94 -11.04 C 18.41 -11.04 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -2 16 28 1 16 29 1 17 27 1 17 30 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 33 1 29 36 1 30 35 1 31 32 1 31 34 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', '37 40 H 16.00 -13.45 H 17.19 -11.32 C:113 22.16 -9.59 C:21 14.72 -6.15 C:22 16.02 -16.67 C:21 20.90 -15.18 C:24 13.72 -14.11 C:28 15.69 -14.20 C:14 16.00 -9.64 O 17.21 -6.14 O 14.78 -14.60 O 18.47 -15.24 O 20.56 -12.62 O 12.30 -13.12 O 14.72 -8.94 C:35 13.52 -11.04 C:38 18.41 -8.23 C:36 19.67 -10.33 O 16.00 -8.24 O 17.21 -14.56 O 19.67 -13.12 C:169 16.00 -6.84 C:172 16.00 -15.28 C:170 19.67 -14.51 C:149 20.78 -9.92 C:205 19.98 -11.34 C:36 19.67 -8.93 C:77 13.52 -12.44 C:76 14.72 -10.33 C:71 17.19 -8.93 C:70 17.19 -13.17 C:70 18.41 -12.44 C:38 14.72 -13.17 C:40 15.94 -12.44 C:56 17.21 -10.33 C:44 15.94 -11.04 C:48 18.41 -11.04 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -2 16 28 1 16 29 1 17 27 1 17 30 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 33 1 29 36 1 30 35 1 31 32 1 31 34 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', 'C26H36O9', 492.289, 'C', 'np08_684_2', 4207, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16794, 'Nervonin C (3)', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C@H:15]4O[C:15001]([CH3:15002])=O', '[H][C@]23C(=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](O)[C@]3(C)C)C(=C)[C@H]4OC(C)=O', '[H][C@:50]23[C:207](=O)[C@H:87](O[C:172]([CH3:22])=O)[C@@:51]14[CH2:34][C@H:38]([CH2:39][C@H:70](O[C:170]([CH3:21])=O)[C@@:50]1([H])[C@:50]2([CH3:13])[C@@H:75](O)[CH2:35][C@H:76](O)[C@:36]3([CH3:23])[CH3:26])[C:150](=[CH2:108])[C@H:79]4O[C:169]([CH3:20])=O', '37 40 H 15.74 -14.20 H 16.95 -12.07 C:17 21.90 -10.39 C:11002 14.46 -6.88 C:15002 22.27 -14.79 C:7002 20.63 -15.93 C:19 13.46 -14.86 C:18 15.43 -14.95 C:20 15.74 -10.39 O 16.95 -6.88 O 22.50 -12.36 O 18.20 -15.99 O 16.95 -15.31 O 12.04 -13.87 O 14.46 -9.69 C:2 13.26 -11.79 C:12 18.14 -8.99 C:14 19.40 -11.08 O 15.74 -8.99 O 20.29 -13.37 O 19.40 -13.87 C:11001 15.74 -7.59 C:15001 21.69 -13.51 C:7001 19.40 -15.31 C:16 20.51 -10.67 C:6 16.95 -13.92 C:13 19.40 -9.69 C:3 13.26 -13.19 C:1 14.46 -11.08 C:11 16.95 -9.69 C:15 19.71 -12.07 C:7 18.14 -13.19 C:4 14.46 -13.92 C:5 15.68 -13.19 C:9 16.95 -11.08 C:10 15.68 -11.79 C:8 18.14 -11.79 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -2 16 28 1 16 29 1 17 27 1 17 30 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -1 21 24 1 32 21 -1 25 27 1 25 31 1 26 32 1 26 34 1 28 33 1 29 36 1 30 35 1 31 37 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', '37 40 H 15.74 -14.20 H 16.95 -12.07 C 21.90 -10.39 C 14.46 -6.88 C 22.27 -14.79 C 20.63 -15.93 C 13.46 -14.86 C 15.43 -14.95 C 15.74 -10.39 O 16.95 -6.88 O 22.50 -12.36 O 18.20 -15.99 O 16.95 -15.31 O 12.04 -13.87 O 14.46 -9.69 C 13.26 -11.79 C 18.14 -8.99 C 19.40 -11.08 O 15.74 -8.99 O 20.29 -13.37 O 19.40 -13.87 C 15.74 -7.59 C 21.69 -13.51 C 19.40 -15.31 C 20.51 -10.67 C 16.95 -13.92 C 19.40 -9.69 C 13.26 -13.19 C 14.46 -11.08 C 16.95 -9.69 C 19.71 -12.07 C 18.14 -13.19 C 14.46 -13.92 C 15.68 -13.19 C 16.95 -11.08 C 15.68 -11.79 C 18.14 -11.79 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -2 16 28 1 16 29 1 17 27 1 17 30 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -1 21 24 1 32 21 -1 25 27 1 25 31 1 26 32 1 26 34 1 28 33 1 29 36 1 30 35 1 31 37 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', '37 40 H 15.74 -14.20 H 16.95 -12.07 C:108 21.90 -10.39 C:21 14.46 -6.88 C:20 22.27 -14.79 C:22 20.63 -15.93 C:23 13.46 -14.86 C:26 15.43 -14.95 C:13 15.74 -10.39 O 16.95 -6.88 O 22.50 -12.36 O 18.20 -15.99 O 16.95 -15.31 O 12.04 -13.87 O 14.46 -9.69 C:35 13.26 -11.79 C:39 18.14 -8.99 C:34 19.40 -11.08 O 15.74 -8.99 O 20.29 -13.37 O 19.40 -13.87 C:170 15.74 -7.59 C:169 21.69 -13.51 C:172 19.40 -15.31 C:150 20.51 -10.67 C:207 16.95 -13.92 C:38 19.40 -9.69 C:76 13.26 -13.19 C:75 14.46 -11.08 C:70 16.95 -9.69 C:79 19.71 -12.07 C:87 18.14 -13.19 C:36 14.46 -13.92 C:50 15.68 -13.19 C:50 16.95 -11.08 C:50 15.68 -11.79 C:51 18.14 -11.79 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -2 16 28 1 16 29 1 17 27 1 17 30 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -1 21 24 1 32 21 -1 25 27 1 25 31 1 26 32 1 26 34 1 28 33 1 29 36 1 30 35 1 31 37 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', 'C26H36O9', 492.289, 'C', 'np08_684_3', 4207, '', '', '1', 47, NULL, NULL),
(16795, 'Nervonin D', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C@H:15]4O[C:15001]([CH3:15002])=O', '[H][C@]23[C@@H](O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]3(C)C)C(=C)[C@H]4OC(C)=O', '[H][C@:41]23[C@@H:69](O)[C@H:82](O[C:171]([CH3:22])=O)[C@@:45]14[CH2:37][C@H:39]([CH2:40][C@H:69](O[C:170]([CH3:21])=O)[C@@:50]1([H])[C@:42]2([CH3:15])[C@@H:80](O[C:171]([CH3:22])=O)[CH2:32][C@H:77](O)[C@@:38]3([CH3:29])[CH3:24])[C:151](=[CH2:106])[C@H:80]4O[C:170]([CH3:21])=O', '40 43 H 15.70 -14.21 H 16.91 -12.08 C:17 21.86 -10.40 C:11002 14.42 -6.88 C:1002 13.22 -7.63 C:15002 22.23 -14.80 C:7002 20.59 -15.94 C:18 15.39 -14.96 C:19 13.42 -14.87 C:20 15.70 -10.40 O 16.91 -6.88 O 12.00 -9.78 O 22.46 -12.37 O 18.16 -16.00 O 12.00 -13.88 O 16.91 -15.32 C:12 18.10 -9.03 C:2 13.22 -11.80 C:14 19.37 -11.09 O 15.70 -9.03 O 14.42 -9.70 O 20.26 -13.38 O 19.37 -13.88 C:11001 15.70 -7.63 C:1001 13.22 -9.03 C:15001 21.65 -13.52 C:7001 19.37 -15.32 C:16 20.47 -10.68 C:13 19.37 -9.70 C:3 13.22 -13.20 C:11 16.91 -9.70 C:1 14.42 -11.09 C:6 16.91 -13.88 C:15 19.68 -12.08 C:7 18.10 -13.20 C:4 14.42 -13.88 C:5 15.64 -13.20 C:9 16.91 -11.09 C:10 15.64 -11.80 C:8 18.10 -11.80 37 1 -1 38 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -1 36 9 -2 39 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 30 15 -1 33 16 -2 17 29 1 17 31 1 18 30 1 18 32 1 29 19 -2 40 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 34 22 -1 23 27 1 35 23 -1 28 29 1 28 34 1 30 36 1 31 38 1 32 39 1 33 35 1 33 37 1 34 40 1 35 40 1 36 37 1 37 39 1 38 39 1 38 40 1', '40 43 H 15.70 -14.21 H 16.91 -12.08 C 21.86 -10.40 C 14.42 -6.88 C 13.22 -7.63 C 22.23 -14.80 C 20.59 -15.94 C 15.39 -14.96 C 13.42 -14.87 C 15.70 -10.40 O 16.91 -6.88 O 12.00 -9.78 O 22.46 -12.37 O 18.16 -16.00 O 12.00 -13.88 O 16.91 -15.32 C 18.10 -9.03 C 13.22 -11.80 C 19.37 -11.09 O 15.70 -9.03 O 14.42 -9.70 O 20.26 -13.38 O 19.37 -13.88 C 15.70 -7.63 C 13.22 -9.03 C 21.65 -13.52 C 19.37 -15.32 C 20.47 -10.68 C 19.37 -9.70 C 13.22 -13.20 C 16.91 -9.70 C 14.42 -11.09 C 16.91 -13.88 C 19.68 -12.08 C 18.10 -13.20 C 14.42 -13.88 C 15.64 -13.20 C 16.91 -11.09 C 15.64 -11.80 C 18.10 -11.80 37 1 -1 38 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -1 36 9 -2 39 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 30 15 -1 33 16 -2 17 29 1 17 31 1 18 30 1 18 32 1 29 19 -2 40 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 34 22 -1 23 27 1 35 23 -1 28 29 1 28 34 1 30 36 1 31 38 1 32 39 1 33 35 1 33 37 1 34 40 1 35 40 1 36 37 1 37 39 1 38 39 1 38 40 1', '40 43 H 15.70 -14.21 H 16.91 -12.08 C:106 21.86 -10.40 C:21 14.42 -6.88 C:22 13.22 -7.63 C:21 22.23 -14.80 C:22 20.59 -15.94 C:29 15.39 -14.96 C:24 13.42 -14.87 C:15 15.70 -10.40 O 16.91 -6.88 O 12.00 -9.78 O 22.46 -12.37 O 18.16 -16.00 O 12.00 -13.88 O 16.91 -15.32 C:40 18.10 -9.03 C:32 13.22 -11.80 C:37 19.37 -11.09 O 15.70 -9.03 O 14.42 -9.70 O 20.26 -13.38 O 19.37 -13.88 C:170 15.70 -7.63 C:171 13.22 -9.03 C:170 21.65 -13.52 C:171 19.37 -15.32 C:151 20.47 -10.68 C:39 19.37 -9.70 C:77 13.22 -13.20 C:69 16.91 -9.70 C:80 14.42 -11.09 C:69 16.91 -13.88 C:80 19.68 -12.08 C:82 18.10 -13.20 C:38 14.42 -13.88 C:41 15.64 -13.20 C:50 16.91 -11.09 C:42 15.64 -11.80 C:45 18.10 -11.80 37 1 -1 38 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -1 36 9 -2 39 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 30 15 -1 33 16 -2 17 29 1 17 31 1 18 30 1 18 32 1 29 19 -2 40 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 34 22 -1 23 27 1 35 23 -1 28 29 1 28 34 1 30 36 1 31 38 1 32 39 1 33 35 1 33 37 1 34 40 1 35 40 1 36 37 1 37 39 1 38 39 1 38 40 1', 'C28H40O10', 536.31, 'C', 'np08_684_4', 4207, '', '', '1', 47, NULL, NULL),
(16796, 'Nervonin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C:6](=O)[C@H:7](O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C@H:15]4O', '[H][C@]23C(=O)[C@H](O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)C)C(=C)[C@H]4O', '[H][C@:49]23[C:211](=O)[C@H:86](O)[C@@:51]14[CH2:33][C@H:38]([CH2:39][C@H:70](O[C:168]([CH3:21])=O)[C@@:49]1([H])[C@:48]2([CH3:15])[C@@H:79](O[C:170]([CH3:22])=O)[CH2:32][C@H:76](O)[C@:36]3([CH3:22])[CH3:26])[C:155](=[CH2:107])[C@H:83]4O', '34 37 H 16.03 -14.54 H 17.24 -12.41 C:17 22.20 -10.74 C:11002 14.75 -7.22 C:1002 13.55 -7.97 C:19 13.75 -15.20 C:18 15.72 -15.29 C:20 16.03 -10.74 O 17.24 -7.22 O 12.33 -10.12 O 17.24 -15.65 O 12.33 -14.21 O 20.60 -13.71 O 19.71 -14.21 C:12 18.43 -9.37 C:2 13.55 -12.13 C:14 19.71 -11.42 O 16.03 -9.37 O 14.75 -10.04 C:11001 16.03 -7.97 C:1001 13.55 -9.37 C:16 20.81 -11.01 C:6 17.24 -14.21 C:13 19.71 -10.04 C:3 13.55 -13.53 C:15 20.02 -12.41 C:7 18.43 -13.53 C:11 17.24 -10.04 C:1 14.75 -11.42 C:4 14.75 -14.21 C:5 15.97 -13.53 C:9 17.24 -11.42 C:10 15.97 -12.13 C:8 18.43 -12.13 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -2 30 7 -1 33 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 26 13 -1 27 14 -1 15 24 1 15 28 1 16 25 1 16 29 1 24 17 -2 34 17 -2 18 20 1 28 18 -1 19 21 1 29 19 -2 22 24 1 22 26 1 23 27 1 23 31 1 25 30 1 26 34 1 27 34 1 28 32 1 29 33 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 37 H 16.03 -14.54 H 17.24 -12.41 C 22.20 -10.74 C 14.75 -7.22 C 13.55 -7.97 C 13.75 -15.20 C 15.72 -15.29 C 16.03 -10.74 O 17.24 -7.22 O 12.33 -10.12 O 17.24 -15.65 O 12.33 -14.21 O 20.60 -13.71 O 19.71 -14.21 C 18.43 -9.37 C 13.55 -12.13 C 19.71 -11.42 O 16.03 -9.37 O 14.75 -10.04 C 16.03 -7.97 C 13.55 -9.37 C 20.81 -11.01 C 17.24 -14.21 C 19.71 -10.04 C 13.55 -13.53 C 20.02 -12.41 C 18.43 -13.53 C 17.24 -10.04 C 14.75 -11.42 C 14.75 -14.21 C 15.97 -13.53 C 17.24 -11.42 C 15.97 -12.13 C 18.43 -12.13 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -2 30 7 -1 33 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 26 13 -1 27 14 -1 15 24 1 15 28 1 16 25 1 16 29 1 24 17 -2 34 17 -2 18 20 1 28 18 -1 19 21 1 29 19 -2 22 24 1 22 26 1 23 27 1 23 31 1 25 30 1 26 34 1 27 34 1 28 32 1 29 33 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 37 H 16.03 -14.54 H 17.24 -12.41 C:107 22.20 -10.74 C:21 14.75 -7.22 C:22 13.55 -7.97 C:22 13.75 -15.20 C:26 15.72 -15.29 C:15 16.03 -10.74 O 17.24 -7.22 O 12.33 -10.12 O 17.24 -15.65 O 12.33 -14.21 O 20.60 -13.71 O 19.71 -14.21 C:39 18.43 -9.37 C:32 13.55 -12.13 C:33 19.71 -11.42 O 16.03 -9.37 O 14.75 -10.04 C:168 16.03 -7.97 C:170 13.55 -9.37 C:155 20.81 -11.01 C:211 17.24 -14.21 C:38 19.71 -10.04 C:76 13.55 -13.53 C:83 20.02 -12.41 C:86 18.43 -13.53 C:70 17.24 -10.04 C:79 14.75 -11.42 C:36 14.75 -14.21 C:49 15.97 -13.53 C:49 17.24 -11.42 C:48 15.97 -12.13 C:51 18.43 -12.13 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -2 30 7 -1 33 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 26 13 -1 27 14 -1 15 24 1 15 28 1 16 25 1 16 29 1 24 17 -2 34 17 -2 18 20 1 28 18 -1 19 21 1 29 19 -2 22 24 1 22 26 1 23 27 1 23 31 1 25 30 1 26 34 1 27 34 1 28 32 1 29 33 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C24H34O8', 450.268, 'C', 'np08_684_5', 4207, '', '', '1', 47, NULL, NULL),
(16797, 'Nervonin F', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C@H:15](O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O)[C@:5]4([H])[C@:4]([CH3:18])([CH3:19])[C@@H:3](O)[CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@@:10]34[CH3:20]', '[H][C@@]13[C@@H](O)C[C@H]2C[C@]1([C@H](O)C2=C)[C@@H](OC(C)=O)[C@H](O)[C@]4([H])[C@](C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]34C', '[H][C@@:52]13[C@@H:67](O)[CH2:43][C@H:39]2[CH2:36][C@:45]1([C@H:81](O)[C:156]2=[CH2:107])[C@@H:82](O[C:171]([CH3:21])=O)[C@H:69](O)[C@:41]4([H])[C@:38]([CH3:29])([CH3:24])[C@@H:76](O)[CH2:32][C@H:81](O[C:171]([CH3:22])=O)[C@@:42]34[CH3:15]', '34 37 H 17.21 -11.70 H 16.00 -13.83 C:17 22.19 -10.03 C:1002 13.52 -7.25 C:7002 20.91 -15.62 C:18 15.69 -14.58 C:19 13.72 -14.49 C:20 16.00 -10.03 O 12.30 -9.41 O 18.48 -15.62 O 12.30 -13.50 O 16.00 -8.65 O 20.59 -13.00 O 17.21 -14.94 C:12 18.41 -8.65 C:2 13.52 -11.42 C:14 19.69 -10.71 O 14.72 -9.32 O 19.69 -13.50 C:1001 13.52 -8.65 C:7001 19.69 -14.94 C:16 20.80 -10.30 C:13 19.69 -9.32 C:3 13.52 -12.82 C:11 17.21 -9.32 C:15 20.00 -11.70 C:1 14.72 -10.71 C:6 17.21 -13.50 C:7 18.41 -12.82 C:4 14.72 -13.50 C:9 17.21 -10.71 C:5 15.94 -12.82 C:10 15.94 -11.42 C:8 18.41 -11.42 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -1 30 7 -2 33 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -1 26 13 -1 28 14 -2 15 23 1 15 25 1 16 24 1 16 27 1 23 17 -2 34 17 -2 18 20 1 27 18 -2 19 21 1 29 19 -1 22 23 1 22 26 1 24 30 1 25 31 1 26 34 1 27 33 1 28 29 1 28 32 1 29 34 1 30 32 1 31 33 1 31 34 1 32 33 1', '34 37 H 17.21 -11.70 H 16.00 -13.83 C 22.19 -10.03 C 13.52 -7.25 C 20.91 -15.62 C 15.69 -14.58 C 13.72 -14.49 C 16.00 -10.03 O 12.30 -9.41 O 18.48 -15.62 O 12.30 -13.50 O 16.00 -8.65 O 20.59 -13.00 O 17.21 -14.94 C 18.41 -8.65 C 13.52 -11.42 C 19.69 -10.71 O 14.72 -9.32 O 19.69 -13.50 C 13.52 -8.65 C 19.69 -14.94 C 20.80 -10.30 C 19.69 -9.32 C 13.52 -12.82 C 17.21 -9.32 C 20.00 -11.70 C 14.72 -10.71 C 17.21 -13.50 C 18.41 -12.82 C 14.72 -13.50 C 17.21 -10.71 C 15.94 -12.82 C 15.94 -11.42 C 18.41 -11.42 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -1 30 7 -2 33 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -1 26 13 -1 28 14 -2 15 23 1 15 25 1 16 24 1 16 27 1 23 17 -2 34 17 -2 18 20 1 27 18 -2 19 21 1 29 19 -1 22 23 1 22 26 1 24 30 1 25 31 1 26 34 1 27 33 1 28 29 1 28 32 1 29 34 1 30 32 1 31 33 1 31 34 1 32 33 1', '34 37 H 17.21 -11.70 H 16.00 -13.83 C:107 22.19 -10.03 C:22 13.52 -7.25 C:21 20.91 -15.62 C:29 15.69 -14.58 C:24 13.72 -14.49 C:15 16.00 -10.03 O 12.30 -9.41 O 18.48 -15.62 O 12.30 -13.50 O 16.00 -8.65 O 20.59 -13.00 O 17.21 -14.94 C:43 18.41 -8.65 C:32 13.52 -11.42 C:36 19.69 -10.71 O 14.72 -9.32 O 19.69 -13.50 C:171 13.52 -8.65 C:171 19.69 -14.94 C:156 20.80 -10.30 C:39 19.69 -9.32 C:76 13.52 -12.82 C:67 17.21 -9.32 C:81 20.00 -11.70 C:81 14.72 -10.71 C:69 17.21 -13.50 C:82 18.41 -12.82 C:38 14.72 -13.50 C:52 17.21 -10.71 C:41 15.94 -12.82 C:42 15.94 -11.42 C:45 18.41 -11.42 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -1 30 7 -2 33 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -1 26 13 -1 28 14 -2 15 23 1 15 25 1 16 24 1 16 27 1 23 17 -2 34 17 -2 18 20 1 27 18 -2 19 21 1 29 19 -1 22 23 1 22 26 1 24 30 1 25 31 1 26 34 1 27 33 1 28 29 1 28 32 1 29 34 1 30 32 1 31 33 1 31 34 1 32 33 1', 'C24H36O8', 452.268, 'C', 'np08_684_6', 4207, '', '', '1', 47, NULL, NULL),
(16798, 'Nervonin G', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C@H:15](O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C@@H:3](O)[CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@@:10]34[CH3:20]', '[H][C@@]13[C@@H](O)C[C@H]2C[C@]1([C@H](O)C2=C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]4([H])[C@@](C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]34C', '[H][C@@:51]13[C@@H:66](O)[CH2:42][C@H:39]2[CH2:36][C@:46]1([C@H:81](O)[C:156]2=[CH2:107])[C@@H:76](O[C:169]([CH3:21])=O)[C@H:70](O[C:170]([CH3:21])=O)[C@:40]4([H])[C@@:38]([CH3:24])([CH3:29])[C@@H:76](O)[CH2:32][C@H:81](O[C:171]([CH3:22])=O)[C@@:42]34[CH3:15]', '37 40 H 17.21 -10.98 H 15.99 -13.11 C:17 22.18 -9.31 C:1002 13.53 -6.52 C:6002 15.99 -16.31 C:7002 20.90 -14.91 C:19 13.73 -13.77 C:18 15.69 -13.86 C:20 15.99 -9.31 O 12.31 -8.69 O 14.78 -14.23 O 18.48 -14.91 O 12.31 -12.78 O 15.99 -7.92 O 20.58 -12.28 C:12 18.41 -7.92 C:2 13.53 -10.70 C:14 19.69 -9.99 O 14.72 -8.60 O 17.21 -14.23 O 19.69 -12.78 C:1001 13.53 -7.92 C:6001 15.99 -14.91 C:7001 19.69 -14.23 C:16 20.79 -9.58 C:13 19.69 -8.60 C:3 13.53 -12.10 C:11 17.21 -8.60 C:15 20.00 -10.98 C:1 14.72 -9.99 C:6 17.21 -12.78 C:7 18.41 -12.10 C:4 14.72 -12.78 C:9 17.21 -9.99 C:5 15.94 -12.10 C:10 15.94 -10.70 C:8 18.41 -10.70 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 27 13 -1 28 14 -1 29 15 -1 16 26 1 16 28 1 17 27 1 17 30 1 26 18 -2 37 18 -2 19 22 1 30 19 -2 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 29 1 27 33 1 28 34 1 29 37 1 30 36 1 31 32 1 31 35 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 17.21 -10.98 H 15.99 -13.11 C 22.18 -9.31 C 13.53 -6.52 C 15.99 -16.31 C 20.90 -14.91 C 13.73 -13.77 C 15.69 -13.86 C 15.99 -9.31 O 12.31 -8.69 O 14.78 -14.23 O 18.48 -14.91 O 12.31 -12.78 O 15.99 -7.92 O 20.58 -12.28 C 18.41 -7.92 C 13.53 -10.70 C 19.69 -9.99 O 14.72 -8.60 O 17.21 -14.23 O 19.69 -12.78 C 13.53 -7.92 C 15.99 -14.91 C 19.69 -14.23 C 20.79 -9.58 C 19.69 -8.60 C 13.53 -12.10 C 17.21 -8.60 C 20.00 -10.98 C 14.72 -9.99 C 17.21 -12.78 C 18.41 -12.10 C 14.72 -12.78 C 17.21 -9.99 C 15.94 -12.10 C 15.94 -10.70 C 18.41 -10.70 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 27 13 -1 28 14 -1 29 15 -1 16 26 1 16 28 1 17 27 1 17 30 1 26 18 -2 37 18 -2 19 22 1 30 19 -2 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 29 1 27 33 1 28 34 1 29 37 1 30 36 1 31 32 1 31 35 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 17.21 -10.98 H 15.99 -13.11 C:107 22.18 -9.31 C:22 13.53 -6.52 C:21 15.99 -16.31 C:21 20.90 -14.91 C:24 13.73 -13.77 C:29 15.69 -13.86 C:15 15.99 -9.31 O 12.31 -8.69 O 14.78 -14.23 O 18.48 -14.91 O 12.31 -12.78 O 15.99 -7.92 O 20.58 -12.28 C:42 18.41 -7.92 C:32 13.53 -10.70 C:36 19.69 -9.99 O 14.72 -8.60 O 17.21 -14.23 O 19.69 -12.78 C:171 13.53 -7.92 C:170 15.99 -14.91 C:169 19.69 -14.23 C:156 20.79 -9.58 C:39 19.69 -8.60 C:76 13.53 -12.10 C:66 17.21 -8.60 C:81 20.00 -10.98 C:81 14.72 -9.99 C:70 17.21 -12.78 C:76 18.41 -12.10 C:38 14.72 -12.78 C:51 17.21 -9.99 C:40 15.94 -12.10 C:42 15.94 -10.70 C:46 18.41 -10.70 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 27 13 -1 28 14 -1 29 15 -1 16 26 1 16 28 1 17 27 1 17 30 1 26 18 -2 37 18 -2 19 22 1 30 19 -2 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 29 1 27 33 1 28 34 1 29 37 1 30 36 1 31 32 1 31 35 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', 'C26H38O9', 494.289, 'C', 'np08_684_7', 4207, '', '', '1', 47, NULL, NULL),
(16799, 'Nervonin H', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C@H:15]4O', '[H][C@]23C[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)C)C(=C)[C@H]4O', '[H][C@:39]23[CH2:25][C@H:79](O[C:171]([CH3:22])=O)[C@@:48]14[CH2:36][C@H:39]([CH2:40][C@H:72](O[C:169]([CH3:22])=O)[C@@:51]1([H])[C@:44]2([CH3:14])[C@@H:76](O)[CH2:38][C@H:76](O)[C@@:38]3([CH3:29])[CH3:22])[C:159](=[CH2:105])[C@H:82]4O', '33 36 H 16.00 -14.19 H 17.22 -12.05 C:17 22.19 -10.38 C:11002 14.83 -6.86 C:7002 20.90 -15.98 C:18 15.70 -14.93 C:19 13.75 -14.84 C:20 16.00 -10.38 O 17.22 -6.86 O 18.48 -15.98 O 12.31 -13.86 O 14.73 -9.67 O 20.58 -13.35 C:2 13.55 -11.77 C:12 18.41 -8.99 C:14 19.69 -11.06 C:6 17.22 -13.86 O 15.95 -8.99 O 19.69 -13.86 C:11001 15.95 -7.58 C:7001 19.69 -15.30 C:16 20.79 -10.65 C:13 19.69 -9.67 C:3 13.55 -13.17 C:1 14.73 -11.06 C:15 20.00 -12.05 C:11 17.22 -9.67 C:7 18.41 -13.17 C:4 14.73 -13.86 C:5 16.00 -13.17 C:9 17.22 -11.06 C:10 16.00 -11.77 C:8 18.41 -11.77 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -1 29 7 -2 32 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -2 26 13 -1 14 24 1 14 25 1 15 23 1 15 27 1 23 16 -2 33 16 -2 17 28 1 17 30 1 18 20 1 27 18 -1 19 21 1 28 19 -1 22 23 1 22 26 1 24 29 1 25 32 1 26 33 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 16.00 -14.19 H 17.22 -12.05 C 22.19 -10.38 C 14.83 -6.86 C 20.90 -15.98 C 15.70 -14.93 C 13.75 -14.84 C 16.00 -10.38 O 17.22 -6.86 O 18.48 -15.98 O 12.31 -13.86 O 14.73 -9.67 O 20.58 -13.35 C 13.55 -11.77 C 18.41 -8.99 C 19.69 -11.06 C 17.22 -13.86 O 15.95 -8.99 O 19.69 -13.86 C 15.95 -7.58 C 19.69 -15.30 C 20.79 -10.65 C 19.69 -9.67 C 13.55 -13.17 C 14.73 -11.06 C 20.00 -12.05 C 17.22 -9.67 C 18.41 -13.17 C 14.73 -13.86 C 16.00 -13.17 C 17.22 -11.06 C 16.00 -11.77 C 18.41 -11.77 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -1 29 7 -2 32 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -2 26 13 -1 14 24 1 14 25 1 15 23 1 15 27 1 23 16 -2 33 16 -2 17 28 1 17 30 1 18 20 1 27 18 -1 19 21 1 28 19 -1 22 23 1 22 26 1 24 29 1 25 32 1 26 33 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 16.00 -14.19 H 17.22 -12.05 C:105 22.19 -10.38 C:22 14.83 -6.86 C:22 20.90 -15.98 C:29 15.70 -14.93 C:22 13.75 -14.84 C:14 16.00 -10.38 O 17.22 -6.86 O 18.48 -15.98 O 12.31 -13.86 O 14.73 -9.67 O 20.58 -13.35 C:38 13.55 -11.77 C:40 18.41 -8.99 C:36 19.69 -11.06 C:25 17.22 -13.86 O 15.95 -8.99 O 19.69 -13.86 C:169 15.95 -7.58 C:171 19.69 -15.30 C:159 20.79 -10.65 C:39 19.69 -9.67 C:76 13.55 -13.17 C:76 14.73 -11.06 C:82 20.00 -12.05 C:72 17.22 -9.67 C:79 18.41 -13.17 C:38 14.73 -13.86 C:39 16.00 -13.17 C:51 17.22 -11.06 C:44 16.00 -11.77 C:48 18.41 -11.77 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -1 29 7 -2 32 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -2 26 13 -1 14 24 1 14 25 1 15 23 1 15 27 1 23 16 -2 33 16 -2 17 28 1 17 30 1 18 20 1 27 18 -1 19 21 1 28 19 -1 22 23 1 22 26 1 24 29 1 25 32 1 26 33 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', 'C24H36O7', 436.268, 'C', 'np08_684_8', 4207, '', '', '1', 47, NULL, NULL),
(16800, 'Nervonin I', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C@H:15]4O', '[H][C@]23[C@@H](O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)C)C(=C)[C@H]4O', '[H][C@:41]23[C@@H:70](O)[C@H:81](O[C:171]([CH3:22])=O)[C@@:46]14[CH2:36][C@H:39]([CH2:39][C@H:72](O[C:171]([CH3:21])=O)[C@@:50]1([H])[C@:43]2([CH3:14])[C@@H:76](O)[CH2:36][C@H:77](O)[C@@:38]3([CH3:29])[CH3:24])[C:156](=[CH2:106])[C@H:82]4O', '34 37 H 16.01 -14.21 H 17.24 -12.06 C:17 22.21 -10.39 C:11002 14.84 -6.87 C:7002 20.92 -15.99 C:18 15.71 -14.94 C:19 13.77 -14.85 C:20 16.01 -10.39 O 17.23 -6.87 O 18.49 -15.99 O 12.33 -13.88 O 14.74 -9.68 O 20.60 -13.37 O 17.24 -15.27 C:2 13.57 -11.78 C:12 18.42 -9.00 C:14 19.71 -11.07 O 15.96 -9.00 O 19.71 -13.88 C:11001 15.96 -7.59 C:7001 19.71 -15.31 C:16 20.81 -10.66 C:13 19.71 -9.68 C:3 13.57 -13.19 C:1 14.74 -11.07 C:15 20.02 -12.06 C:11 17.23 -9.68 C:6 17.23 -13.88 C:7 18.42 -13.19 C:4 14.74 -13.88 C:5 16.01 -13.19 C:9 17.24 -11.07 C:10 16.01 -11.78 C:8 18.42 -11.78 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -1 30 7 -2 33 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -2 26 13 -1 28 14 -2 15 24 1 15 25 1 16 23 1 16 27 1 23 17 -2 34 17 -2 18 20 1 27 18 -1 19 21 1 29 19 -1 22 23 1 22 26 1 24 30 1 25 33 1 26 34 1 27 32 1 28 29 1 28 31 1 29 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 37 H 16.01 -14.21 H 17.24 -12.06 C 22.21 -10.39 C 14.84 -6.87 C 20.92 -15.99 C 15.71 -14.94 C 13.77 -14.85 C 16.01 -10.39 O 17.23 -6.87 O 18.49 -15.99 O 12.33 -13.88 O 14.74 -9.68 O 20.60 -13.37 O 17.24 -15.27 C 13.57 -11.78 C 18.42 -9.00 C 19.71 -11.07 O 15.96 -9.00 O 19.71 -13.88 C 15.96 -7.59 C 19.71 -15.31 C 20.81 -10.66 C 19.71 -9.68 C 13.57 -13.19 C 14.74 -11.07 C 20.02 -12.06 C 17.23 -9.68 C 17.23 -13.88 C 18.42 -13.19 C 14.74 -13.88 C 16.01 -13.19 C 17.24 -11.07 C 16.01 -11.78 C 18.42 -11.78 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -1 30 7 -2 33 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -2 26 13 -1 28 14 -2 15 24 1 15 25 1 16 23 1 16 27 1 23 17 -2 34 17 -2 18 20 1 27 18 -1 19 21 1 29 19 -1 22 23 1 22 26 1 24 30 1 25 33 1 26 34 1 27 32 1 28 29 1 28 31 1 29 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 37 H 16.01 -14.21 H 17.24 -12.06 C:106 22.21 -10.39 C:21 14.84 -6.87 C:22 20.92 -15.99 C:29 15.71 -14.94 C:24 13.77 -14.85 C:14 16.01 -10.39 O 17.23 -6.87 O 18.49 -15.99 O 12.33 -13.88 O 14.74 -9.68 O 20.60 -13.37 O 17.24 -15.27 C:36 13.57 -11.78 C:39 18.42 -9.00 C:36 19.71 -11.07 O 15.96 -9.00 O 19.71 -13.88 C:171 15.96 -7.59 C:171 19.71 -15.31 C:156 20.81 -10.66 C:39 19.71 -9.68 C:77 13.57 -13.19 C:76 14.74 -11.07 C:82 20.02 -12.06 C:72 17.23 -9.68 C:70 17.23 -13.88 C:81 18.42 -13.19 C:38 14.74 -13.88 C:41 16.01 -13.19 C:50 17.24 -11.07 C:43 16.01 -11.78 C:46 18.42 -11.78 31 1 -1 32 2 -1 3 22 2 4 20 1 5 21 1 30 6 -1 30 7 -2 33 8 -2 9 20 2 10 21 2 24 11 -1 25 12 -2 26 13 -1 28 14 -2 15 24 1 15 25 1 16 23 1 16 27 1 23 17 -2 34 17 -2 18 20 1 27 18 -1 19 21 1 29 19 -1 22 23 1 22 26 1 24 30 1 25 33 1 26 34 1 27 32 1 28 29 1 28 31 1 29 34 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C24H36O8', 452.268, 'C', 'np08_684_9', 4207, '', '', '1', 47, NULL, NULL),
(16801, 'Nervonin J', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C:6](=O)[CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C@H:15]4O[C:15001]([CH3:15002])=O', '[H][C@]23C(=O)C[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)[C@@H](O)C[C@H](O)[C@]3(C)C)C(=C)[C@H]4OC(C)=O', '[H][C@:57]23[C:210](=O)[CH2:53][C@@:48]14[CH2:37][C@H:38]([CH2:43][C@H:66](O)[C@@:57]1([H])[C@:48]2([CH3:14])[C@@H:75](O)[CH2:36][C@H:77](O)[C@:37]3([CH3:22])[CH3:27])[C:152](=[CH2:110])[C@H:82]4O[C:171]([CH3:21])=O', '30 33 H 15.66 -13.52 H 16.89 -11.37 C:17 21.89 -9.70 C:15002 22.21 -14.16 C:19 13.42 -14.16 C:18 15.36 -14.25 C:20 15.66 -9.70 O 22.52 -11.75 O 16.89 -14.58 O 11.97 -13.19 O 15.66 -8.30 O 14.39 -8.98 C:12 18.08 -8.30 C:2 13.21 -11.09 C:7 18.08 -12.49 C:14 19.37 -10.38 O 20.28 -12.67 C:15001 21.67 -12.85 C:16 20.49 -9.97 C:6 16.89 -13.19 C:13 19.37 -8.98 C:3 13.21 -12.49 C:11 16.89 -8.98 C:1 14.39 -10.38 C:15 19.68 -11.37 C:4 14.39 -13.19 C:5 15.66 -12.49 C:9 16.89 -10.38 C:10 15.66 -11.09 C:8 18.08 -11.09 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -2 26 6 -1 29 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -1 24 12 -2 13 21 1 13 23 1 14 22 1 14 24 1 15 20 1 15 30 1 21 16 -2 30 16 -2 17 18 1 25 17 -1 19 21 1 19 25 1 20 27 1 22 26 1 23 28 1 24 29 1 25 30 1 26 27 1 27 29 1 28 29 1 28 30 1', '30 33 H 15.66 -13.52 H 16.89 -11.37 C 21.89 -9.70 C 22.21 -14.16 C 13.42 -14.16 C 15.36 -14.25 C 15.66 -9.70 O 22.52 -11.75 O 16.89 -14.58 O 11.97 -13.19 O 15.66 -8.30 O 14.39 -8.98 C 18.08 -8.30 C 13.21 -11.09 C 18.08 -12.49 C 19.37 -10.38 O 20.28 -12.67 C 21.67 -12.85 C 20.49 -9.97 C 16.89 -13.19 C 19.37 -8.98 C 13.21 -12.49 C 16.89 -8.98 C 14.39 -10.38 C 19.68 -11.37 C 14.39 -13.19 C 15.66 -12.49 C 16.89 -10.38 C 15.66 -11.09 C 18.08 -11.09 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -2 26 6 -1 29 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -1 24 12 -2 13 21 1 13 23 1 14 22 1 14 24 1 15 20 1 15 30 1 21 16 -2 30 16 -2 17 18 1 25 17 -1 19 21 1 19 25 1 20 27 1 22 26 1 23 28 1 24 29 1 25 30 1 26 27 1 27 29 1 28 29 1 28 30 1', '30 33 H 15.66 -13.52 H 16.89 -11.37 C:110 21.89 -9.70 C:21 22.21 -14.16 C:22 13.42 -14.16 C:27 15.36 -14.25 C:14 15.66 -9.70 O 22.52 -11.75 O 16.89 -14.58 O 11.97 -13.19 O 15.66 -8.30 O 14.39 -8.98 C:43 18.08 -8.30 C:36 13.21 -11.09 C:53 18.08 -12.49 C:37 19.37 -10.38 O 20.28 -12.67 C:171 21.67 -12.85 C:152 20.49 -9.97 C:210 16.89 -13.19 C:38 19.37 -8.98 C:77 13.21 -12.49 C:66 16.89 -8.98 C:75 14.39 -10.38 C:82 19.68 -11.37 C:37 14.39 -13.19 C:57 15.66 -12.49 C:57 16.89 -10.38 C:48 15.66 -11.09 C:48 18.08 -11.09 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -2 26 6 -1 29 7 -2 8 18 2 9 20 2 22 10 -1 23 11 -1 24 12 -2 13 21 1 13 23 1 14 22 1 14 24 1 15 20 1 15 30 1 21 16 -2 30 16 -2 17 18 1 25 17 -1 19 21 1 19 25 1 20 27 1 22 26 1 23 28 1 24 29 1 25 30 1 26 27 1 27 29 1 28 29 1 28 30 1', 'C22H32O6', 392.248, 'C', 'np08_684_10', 4207, '', '', '1', 47, NULL, NULL),
(16802, 'Isodojaponin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]2[C:16](=[CH2:17])[C:15](=O)[C@@:8]1([C@@H:14]2O)[C@@:7]5(O)O[CH2:20][C@:10]34[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[C@@:5]4([H])[C@@H:6]5O', '[H][C@@]13CC[C@@H]2C(=C)C(=O)[C@@]1([C@@H]2O)[C@@]5(O)OC[C@]34[C@@H](OC(C)=O)CC[C@@](C)(COC(C)=O)[C@@]4([H])[C@@H]5O', '[H][C@@:52]13[CH2:18][CH2:30][C@@H:44]2[C:153](=[CH2:120])[C:209](=O)[C@@:62]1([C@@H:73]2O)[C@@:98]5(O)O[CH2:64][C@:40]34[C@@H:75](O[C:171]([CH3:21])=O)[CH2:25][CH2:33][C@@:38]([CH3:27])([CH2:66]O[C:170]([CH3:21])=O)[C@@:61]4([H])[C@@H:73]5O', '35 39 H 17.53 -10.48 H 16.36 -12.54 C:17 22.32 -8.88 C:19002 13.86 -16.80 C:1002 13.99 -6.08 C:18 16.08 -13.28 O 12.20 -15.12 O 12.79 -8.12 O 20.74 -11.89 O 21.64 -10.21 O 17.52 -13.64 O 19.91 -12.24 C:12 18.71 -7.49 C:2 13.99 -10.21 C:11 17.53 -8.17 C:3 13.99 -11.57 C:19 14.17 -13.19 C:20 16.36 -8.88 O 14.52 -14.52 O 17.43 -11.09 O 15.15 -8.17 C:19001 13.53 -15.47 C:1001 13.99 -7.47 C:16 20.98 -9.16 C:15 20.22 -10.60 C:13 19.91 -8.17 C:1 15.15 -9.54 C:14 19.91 -9.54 C:6 17.53 -12.27 C:9 17.52 -9.54 C:4 15.15 -12.27 C:5 16.36 -11.57 C:7 18.71 -11.57 C:10 16.36 -10.21 C:8 18.71 -10.21 30 1 -1 32 2 -1 3 24 2 4 22 1 5 23 1 31 6 -1 7 22 2 8 23 2 9 25 2 28 10 -1 29 11 -1 33 12 -1 13 15 1 13 26 1 14 16 1 14 27 1 15 30 1 16 31 1 17 19 1 31 17 -2 18 20 1 34 18 -2 19 22 1 20 33 1 21 23 1 27 21 -2 24 25 1 24 26 1 25 35 1 26 28 -2 27 34 1 35 28 -2 29 32 1 29 33 1 30 34 1 30 35 1 31 32 1 32 34 1 33 35 1', '35 39 H 17.53 -10.48 H 16.36 -12.54 C 22.32 -8.88 C 13.86 -16.80 C 13.99 -6.08 C 16.08 -13.28 O 12.20 -15.12 O 12.79 -8.12 O 20.74 -11.89 O 21.64 -10.21 O 17.52 -13.64 O 19.91 -12.24 C 18.71 -7.49 C 13.99 -10.21 C 17.53 -8.17 C 13.99 -11.57 C 14.17 -13.19 C 16.36 -8.88 O 14.52 -14.52 O 17.43 -11.09 O 15.15 -8.17 C 13.53 -15.47 C 13.99 -7.47 C 20.98 -9.16 C 20.22 -10.60 C 19.91 -8.17 C 15.15 -9.54 C 19.91 -9.54 C 17.53 -12.27 C 17.52 -9.54 C 15.15 -12.27 C 16.36 -11.57 C 18.71 -11.57 C 16.36 -10.21 C 18.71 -10.21 30 1 -1 32 2 -1 3 24 2 4 22 1 5 23 1 31 6 -1 7 22 2 8 23 2 9 25 2 28 10 -1 29 11 -1 33 12 -1 13 15 1 13 26 1 14 16 1 14 27 1 15 30 1 16 31 1 17 19 1 31 17 -2 18 20 1 34 18 -2 19 22 1 20 33 1 21 23 1 27 21 -2 24 25 1 24 26 1 25 35 1 26 28 -2 27 34 1 35 28 -2 29 32 1 29 33 1 30 34 1 30 35 1 31 32 1 32 34 1 33 35 1', '35 39 H 17.53 -10.48 H 16.36 -12.54 C:120 22.32 -8.88 C:21 13.86 -16.80 C:21 13.99 -6.08 C:27 16.08 -13.28 O 12.20 -15.12 O 12.79 -8.12 O 20.74 -11.89 O 21.64 -10.21 O 17.52 -13.64 O 19.91 -12.24 C:30 18.71 -7.49 C:25 13.99 -10.21 C:18 17.53 -8.17 C:33 13.99 -11.57 C:66 14.17 -13.19 C:64 16.36 -8.88 O 14.52 -14.52 O 17.43 -11.09 O 15.15 -8.17 C:170 13.53 -15.47 C:171 13.99 -7.47 C:153 20.98 -9.16 C:209 20.22 -10.60 C:44 19.91 -8.17 C:75 15.15 -9.54 C:73 19.91 -9.54 C:73 17.53 -12.27 C:52 17.52 -9.54 C:38 15.15 -12.27 C:61 16.36 -11.57 C:98 18.71 -11.57 C:40 16.36 -10.21 C:62 18.71 -10.21 30 1 -1 32 2 -1 3 24 2 4 22 1 5 23 1 31 6 -1 7 22 2 8 23 2 9 25 2 28 10 -1 29 11 -1 33 12 -1 13 15 1 13 26 1 14 16 1 14 27 1 15 30 1 16 31 1 17 19 1 31 17 -2 18 20 1 34 18 -2 19 22 1 20 33 1 21 23 1 27 21 -2 24 25 1 24 26 1 25 35 1 26 28 -2 27 34 1 35 28 -2 29 32 1 29 33 1 30 34 1 30 35 1 31 32 1 32 34 1 33 35 1', 'C24H32O9', 464.267, 'P', 'np08_1055_1', 4208, '', '', '1', 47, NULL, NULL),
(16803, 'Isodojaponin B', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]12[C@H:6](O)[C@:7]4(O)O[CH2:20][C@:10]1([C@@H:1](O)[CH2:2][CH2:3][C@@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O)[C@:9]3([H])[C@H:11](O[C:11001]([CH3:11002])=O)[CH2:12][C@H:13]5[CH2:14][C@@:8]34[C:15](=O)[C:16]5=[CH2:17]', '[H][C@]12[C@H](O)[C@]4(O)OC[C@]1([C@@H](O)CC[C@@]2(C)COC(C)=O)[C@]3([H])[C@H](OC(C)=O)C[C@H]5C[C@@]34C(=O)C5=C', '[H][C@:60]12[C@H:74](O)[C@:96]4(O)O[CH2:66][C@:43]1([C@@H:73](O)[CH2:30][CH2:34][C@@:37]2([CH3:29])[CH2:67]O[C:171]([CH3:21])=O)[C@:54]3([H])[C@H:70](O[C:170]([CH3:22])=O)[CH2:39][C@H:34]5[CH2:27][C@@:59]34[C:209](=O)[C:153]5=[CH2:118]', '35 39 H 16.31 -12.82 H 17.52 -10.74 C:17 22.33 -9.10 C:19002 13.82 -17.15 C:11002 15.10 -5.66 C:18 16.04 -13.55 O 12.13 -15.41 O 17.52 -5.66 O 20.77 -12.02 O 15.10 -8.38 O 17.52 -13.90 O 19.87 -12.49 C:2 13.90 -10.47 C:3 13.90 -11.86 C:19 14.10 -13.46 C:20 16.31 -9.10 C:12 18.69 -7.70 C:14 19.87 -9.77 O 14.46 -14.81 O 17.35 -11.34 O 16.31 -7.70 C:19001 13.46 -15.79 C:11001 16.31 -6.34 C:16 20.98 -9.37 C:15 20.20 -10.74 C:13 19.87 -8.38 C:1 15.10 -9.77 C:11 17.52 -8.38 C:6 17.52 -12.55 C:4 15.10 -12.55 C:5 16.31 -11.86 C:9 17.52 -9.77 C:7 18.69 -11.86 C:8 18.69 -10.47 C:10 16.31 -10.47 31 1 -1 32 2 -1 3 24 2 4 22 1 5 23 1 30 6 -1 7 22 2 8 23 2 9 25 2 27 10 -2 29 11 -1 33 12 -1 13 14 1 13 27 1 14 30 1 15 19 1 30 15 -2 16 20 1 35 16 -2 17 26 1 17 28 1 26 18 -2 34 18 -2 19 22 1 20 33 1 21 23 1 28 21 -2 24 25 1 24 26 1 25 34 1 27 35 1 28 32 1 29 31 1 29 33 1 30 31 1 31 35 1 32 34 1 32 35 1 33 34 1', '35 39 H 16.31 -12.82 H 17.52 -10.74 C 22.33 -9.10 C 13.82 -17.15 C 15.10 -5.66 C 16.04 -13.55 O 12.13 -15.41 O 17.52 -5.66 O 20.77 -12.02 O 15.10 -8.38 O 17.52 -13.90 O 19.87 -12.49 C 13.90 -10.47 C 13.90 -11.86 C 14.10 -13.46 C 16.31 -9.10 C 18.69 -7.70 C 19.87 -9.77 O 14.46 -14.81 O 17.35 -11.34 O 16.31 -7.70 C 13.46 -15.79 C 16.31 -6.34 C 20.98 -9.37 C 20.20 -10.74 C 19.87 -8.38 C 15.10 -9.77 C 17.52 -8.38 C 17.52 -12.55 C 15.10 -12.55 C 16.31 -11.86 C 17.52 -9.77 C 18.69 -11.86 C 18.69 -10.47 C 16.31 -10.47 31 1 -1 32 2 -1 3 24 2 4 22 1 5 23 1 30 6 -1 7 22 2 8 23 2 9 25 2 27 10 -2 29 11 -1 33 12 -1 13 14 1 13 27 1 14 30 1 15 19 1 30 15 -2 16 20 1 35 16 -2 17 26 1 17 28 1 26 18 -2 34 18 -2 19 22 1 20 33 1 21 23 1 28 21 -2 24 25 1 24 26 1 25 34 1 27 35 1 28 32 1 29 31 1 29 33 1 30 31 1 31 35 1 32 34 1 32 35 1 33 34 1', '35 39 H 16.31 -12.82 H 17.52 -10.74 C:118 22.33 -9.10 C:21 13.82 -17.15 C:22 15.10 -5.66 C:29 16.04 -13.55 O 12.13 -15.41 O 17.52 -5.66 O 20.77 -12.02 O 15.10 -8.38 O 17.52 -13.90 O 19.87 -12.49 C:30 13.90 -10.47 C:34 13.90 -11.86 C:67 14.10 -13.46 C:66 16.31 -9.10 C:39 18.69 -7.70 C:27 19.87 -9.77 O 14.46 -14.81 O 17.35 -11.34 O 16.31 -7.70 C:171 13.46 -15.79 C:170 16.31 -6.34 C:153 20.98 -9.37 C:209 20.20 -10.74 C:34 19.87 -8.38 C:73 15.10 -9.77 C:70 17.52 -8.38 C:74 17.52 -12.55 C:37 15.10 -12.55 C:60 16.31 -11.86 C:54 17.52 -9.77 C:96 18.69 -11.86 C:59 18.69 -10.47 C:43 16.31 -10.47 31 1 -1 32 2 -1 3 24 2 4 22 1 5 23 1 30 6 -1 7 22 2 8 23 2 9 25 2 27 10 -2 29 11 -1 33 12 -1 13 14 1 13 27 1 14 30 1 15 19 1 30 15 -2 16 20 1 35 16 -2 17 26 1 17 28 1 26 18 -2 34 18 -2 19 22 1 20 33 1 21 23 1 28 21 -2 24 25 1 24 26 1 25 34 1 27 35 1 28 32 1 29 31 1 29 33 1 30 31 1 31 35 1 32 34 1 32 35 1 33 34 1', 'C24H32O9', 464.267, 'P', 'np08_1055_2', 4208, '', '', '1', 47, NULL, NULL),
(16804, 'Isodojaponin C', '', 'Terpenoids', 'Diterpenoids', 'Trichorabales', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([C:7](=O)O[CH2:20][C:10]23[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[C@H:5]3[CH2:6]O)[C:15](=O)[C:16]4=[CH2:17]', '[H][C@@]12CC[C@H]4C[C@@]1(C(=O)OCC23[C@@H](OC(C)=O)CC[C@@](C)(COC(C)=O)[C@H]3CO)C(=O)C4=C', '[H][C@@:42]12[CH2:18][CH2:30][C@H:35]4[CH2:29][C@@:59]1([C:171](=O)O[CH2:69][C:45]23[C@@H:77](O[C:171]([CH3:21])=O)[CH2:25][CH2:35][C@@:38]([CH3:28])([CH2:67]O[C:170]([CH3:22])=O)[C@H:54]3[CH2:58]O)[C:203](=O)[C:151]4=[CH2:118]', '33 36 H 18.71 -12.28 C:17 23.59 -10.64 C:19002 10.92 -14.55 C:1002 16.25 -7.13 C:18 13.65 -12.07 O 13.02 -15.76 O 15.04 -9.25 O 21.13 -14.13 O 21.99 -13.59 O 15.11 -14.84 C:6 16.32 -14.13 C:12 19.90 -9.25 C:2 16.25 -9.93 C:3 15.11 -10.64 C:11 18.71 -9.93 C:19 14.38 -13.31 C:20 17.49 -13.39 C:14 21.13 -11.30 O 13.02 -13.31 O 18.71 -14.13 O 17.49 -9.25 C:19001 12.31 -14.55 C:1001 16.25 -8.54 C:16 22.22 -10.90 C:7 19.90 -13.39 C:15 21.43 -12.28 C:13 21.13 -9.93 C:1 17.49 -10.64 C:5 16.32 -12.72 C:4 15.11 -12.07 C:9 18.71 -11.30 C:8 19.90 -12.01 C:10 17.49 -12.01 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 22 2 7 23 2 8 25 2 9 26 2 10 11 1 29 11 -2 12 15 1 12 27 1 13 14 1 13 28 1 14 30 1 15 31 1 16 19 1 30 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', '33 36 H 18.71 -12.28 C 23.59 -10.64 C 10.92 -14.55 C 16.25 -7.13 C 13.65 -12.07 O 13.02 -15.76 O 15.04 -9.25 O 21.13 -14.13 O 21.99 -13.59 O 15.11 -14.84 C 16.32 -14.13 C 19.90 -9.25 C 16.25 -9.93 C 15.11 -10.64 C 18.71 -9.93 C 14.38 -13.31 C 17.49 -13.39 C 21.13 -11.30 O 13.02 -13.31 O 18.71 -14.13 O 17.49 -9.25 C 12.31 -14.55 C 16.25 -8.54 C 22.22 -10.90 C 19.90 -13.39 C 21.43 -12.28 C 21.13 -9.93 C 17.49 -10.64 C 16.32 -12.72 C 15.11 -12.07 C 18.71 -11.30 C 19.90 -12.01 C 17.49 -12.01 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 22 2 7 23 2 8 25 2 9 26 2 10 11 1 29 11 -2 12 15 1 12 27 1 13 14 1 13 28 1 14 30 1 15 31 1 16 19 1 30 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', '33 36 H 18.71 -12.28 C:118 23.59 -10.64 C:22 10.92 -14.55 C:21 16.25 -7.13 C:28 13.65 -12.07 O 13.02 -15.76 O 15.04 -9.25 O 21.13 -14.13 O 21.99 -13.59 O 15.11 -14.84 C:58 16.32 -14.13 C:30 19.90 -9.25 C:25 16.25 -9.93 C:35 15.11 -10.64 C:18 18.71 -9.93 C:67 14.38 -13.31 C:69 17.49 -13.39 C:29 21.13 -11.30 O 13.02 -13.31 O 18.71 -14.13 O 17.49 -9.25 C:170 12.31 -14.55 C:171 16.25 -8.54 C:151 22.22 -10.90 C:171 19.90 -13.39 C:203 21.43 -12.28 C:35 21.13 -9.93 C:77 17.49 -10.64 C:54 16.32 -12.72 C:38 15.11 -12.07 C:42 18.71 -11.30 C:59 19.90 -12.01 C:45 17.49 -12.01 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 22 2 7 23 2 8 25 2 9 26 2 10 11 1 29 11 -2 12 15 1 12 27 1 13 14 1 13 28 1 14 30 1 15 31 1 16 19 1 30 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', 'C24H32O8', 448.26, 'P', 'np08_1055_3', 4208, '', '', '1', 47, NULL, NULL),
(16805, 'Isodojaponin D', '', 'Terpenoids', 'Diterpenoids', 'Trichorabales', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([C:7](=O)O[CH2:20][C:10]23[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH2:19]O)[C@H:5]3[CH2:6]O[C:6001]([CH3:6002])=O)[C:15](=O)[C:16]4=[CH2:17]', '[H][C@@]12CC[C@H]4C[C@@]1(C(=O)OCC23[C@@H](OC(C)=O)CC[C@@](C)(CO)[C@H]3COC(C)=O)C(=O)C4=C', '[H][C@@:43]12[CH2:18][CH2:30][C@H:35]4[CH2:29][C@@:58]1([C:170](=O)O[CH2:69][C:44]23[C@@H:77](O[C:170]([CH3:21])=O)[CH2:25][CH2:35][C@@:40]([CH3:30])([CH2:68]O)[C@H:51]3[CH2:62]O[C:171]([CH3:21])=O)[C:202](=O)[C:151]4=[CH2:119]', '33 36 H 17.65 -11.65 C:17 22.53 -10.02 C:6002 12.85 -16.34 C:1002 15.18 -6.51 C:18 12.58 -11.44 O 15.27 -16.34 O 13.97 -8.63 O 20.06 -13.52 O 20.92 -12.97 O 11.95 -12.69 C:12 18.84 -8.63 C:2 15.18 -9.31 C:19 13.31 -12.69 C:3 14.05 -10.02 C:11 17.65 -9.31 C:6 15.27 -13.52 C:20 16.42 -12.77 C:14 20.06 -10.67 O 14.05 -14.23 O 17.65 -13.52 O 16.42 -8.63 C:6001 14.05 -15.63 C:1001 15.18 -7.92 C:16 21.15 -10.28 C:7 18.84 -12.77 C:15 20.36 -11.65 C:13 20.06 -9.31 C:1 16.42 -10.02 C:5 15.27 -12.10 C:4 14.05 -11.44 C:9 17.65 -10.67 C:8 18.84 -11.38 C:10 16.42 -11.38 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 22 2 7 23 2 8 25 2 9 26 2 10 13 1 11 15 1 11 27 1 12 14 1 12 28 1 30 13 -2 14 30 1 15 31 1 16 19 1 29 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', '33 36 H 17.65 -11.65 C 22.53 -10.02 C 12.85 -16.34 C 15.18 -6.51 C 12.58 -11.44 O 15.27 -16.34 O 13.97 -8.63 O 20.06 -13.52 O 20.92 -12.97 O 11.95 -12.69 C 18.84 -8.63 C 15.18 -9.31 C 13.31 -12.69 C 14.05 -10.02 C 17.65 -9.31 C 15.27 -13.52 C 16.42 -12.77 C 20.06 -10.67 O 14.05 -14.23 O 17.65 -13.52 O 16.42 -8.63 C 14.05 -15.63 C 15.18 -7.92 C 21.15 -10.28 C 18.84 -12.77 C 20.36 -11.65 C 20.06 -9.31 C 16.42 -10.02 C 15.27 -12.10 C 14.05 -11.44 C 17.65 -10.67 C 18.84 -11.38 C 16.42 -11.38 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 22 2 7 23 2 8 25 2 9 26 2 10 13 1 11 15 1 11 27 1 12 14 1 12 28 1 30 13 -2 14 30 1 15 31 1 16 19 1 29 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', '33 36 H 17.65 -11.65 C:119 22.53 -10.02 C:21 12.85 -16.34 C:21 15.18 -6.51 C:30 12.58 -11.44 O 15.27 -16.34 O 13.97 -8.63 O 20.06 -13.52 O 20.92 -12.97 O 11.95 -12.69 C:30 18.84 -8.63 C:25 15.18 -9.31 C:68 13.31 -12.69 C:35 14.05 -10.02 C:18 17.65 -9.31 C:62 15.27 -13.52 C:69 16.42 -12.77 C:29 20.06 -10.67 O 14.05 -14.23 O 17.65 -13.52 O 16.42 -8.63 C:171 14.05 -15.63 C:170 15.18 -7.92 C:151 21.15 -10.28 C:170 18.84 -12.77 C:202 20.36 -11.65 C:35 20.06 -9.31 C:77 16.42 -10.02 C:51 15.27 -12.10 C:40 14.05 -11.44 C:43 17.65 -10.67 C:58 18.84 -11.38 C:44 16.42 -11.38 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 22 2 7 23 2 8 25 2 9 26 2 10 13 1 11 15 1 11 27 1 12 14 1 12 28 1 30 13 -2 14 30 1 15 31 1 16 19 1 29 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', 'C24H32O8', 448.26, 'P', 'np08_1055_4', 4208, '', '', '1', 47, NULL, NULL),
(16806, 'Isodojaponin E', '', 'Terpenoids', 'Diterpenoids', 'Trichorabales', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([C:7](=O)O[CH2:20][C:10]23[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[C@H:5]3[CH:6]=O)[C:15](=O)[C:16]4=[CH2:17]', '[H][C@@]12CC[C@H]4C[C@@]1(C(=O)OCC23[C@@H](OC(C)=O)CC[C@@](C)(COC(C)=O)[C@H]3C=O)C(=O)C4=C', '[H][C@@:43]12[CH2:17][CH2:31][C@H:35]4[CH2:29][C@@:59]1([C:170](=O)O[CH2:68][C:44]23[C@@H:75](O[C:170]([CH3:20])=O)[CH2:24][CH2:35][C@@:39]([CH3:28])([CH2:69]O[C:170]([CH3:21])=O)[C@H:61]3[CH:201]=O)[C:202](=O)[C:151]4=[CH2:119]', '33 36 H 18.70 -12.26 C:17 23.59 -10.63 C:19002 10.91 -14.51 C:1002 16.24 -7.12 C:18 13.64 -12.05 O 15.11 -14.84 O 13.02 -15.73 O 15.03 -9.24 O 21.11 -14.13 O 21.97 -13.58 C:6 16.33 -14.13 C:12 19.89 -9.24 C:2 16.24 -9.92 C:3 15.11 -10.63 C:11 18.70 -9.92 C:19 14.37 -13.30 C:20 17.48 -13.38 C:14 21.11 -11.28 O 13.02 -13.30 O 18.70 -14.13 O 17.48 -9.24 C:19001 12.31 -14.51 C:1001 16.24 -8.53 C:16 22.20 -10.89 C:7 19.89 -13.38 C:15 21.41 -12.26 C:13 21.11 -9.92 C:1 17.48 -10.63 C:5 16.33 -12.71 C:4 15.11 -12.05 C:9 18.70 -11.28 C:8 19.89 -11.99 C:10 17.48 -11.99 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 11 2 7 22 2 8 23 2 9 25 2 10 26 2 29 11 -2 12 15 1 12 27 1 13 14 1 13 28 1 14 30 1 15 31 1 16 19 1 30 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', '33 36 H 18.70 -12.26 C 23.59 -10.63 C 10.91 -14.51 C 16.24 -7.12 C 13.64 -12.05 O 15.11 -14.84 O 13.02 -15.73 O 15.03 -9.24 O 21.11 -14.13 O 21.97 -13.58 C 16.33 -14.13 C 19.89 -9.24 C 16.24 -9.92 C 15.11 -10.63 C 18.70 -9.92 C 14.37 -13.30 C 17.48 -13.38 C 21.11 -11.28 O 13.02 -13.30 O 18.70 -14.13 O 17.48 -9.24 C 12.31 -14.51 C 16.24 -8.53 C 22.20 -10.89 C 19.89 -13.38 C 21.41 -12.26 C 21.11 -9.92 C 17.48 -10.63 C 16.33 -12.71 C 15.11 -12.05 C 18.70 -11.28 C 19.89 -11.99 C 17.48 -11.99 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 11 2 7 22 2 8 23 2 9 25 2 10 26 2 29 11 -2 12 15 1 12 27 1 13 14 1 13 28 1 14 30 1 15 31 1 16 19 1 30 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', '33 36 H 18.70 -12.26 C:119 23.59 -10.63 C:21 10.91 -14.51 C:20 16.24 -7.12 C:28 13.64 -12.05 O 15.11 -14.84 O 13.02 -15.73 O 15.03 -9.24 O 21.11 -14.13 O 21.97 -13.58 C:201 16.33 -14.13 C:31 19.89 -9.24 C:24 16.24 -9.92 C:35 15.11 -10.63 C:17 18.70 -9.92 C:69 14.37 -13.30 C:68 17.48 -13.38 C:29 21.11 -11.28 O 13.02 -13.30 O 18.70 -14.13 O 17.48 -9.24 C:170 12.31 -14.51 C:170 16.24 -8.53 C:151 22.20 -10.89 C:170 19.89 -13.38 C:202 21.41 -12.26 C:35 21.11 -9.92 C:75 17.48 -10.63 C:61 16.33 -12.71 C:39 15.11 -12.05 C:43 18.70 -11.28 C:59 19.89 -11.99 C:44 17.48 -11.99 31 1 -1 2 24 2 3 22 1 4 23 1 30 5 -1 6 11 2 7 22 2 8 23 2 9 25 2 10 26 2 29 11 -2 12 15 1 12 27 1 13 14 1 13 28 1 14 30 1 15 31 1 16 19 1 30 16 -2 17 20 1 17 33 1 27 18 -2 32 18 -2 19 22 1 20 25 1 21 23 1 28 21 -2 24 26 1 24 27 1 25 32 1 26 32 1 28 33 1 29 30 1 29 33 1 31 32 1 31 33 1', 'C24H30O8', 446.26, 'P', 'np08_1055_5', 4208, '', '', '1', 47, NULL, NULL),
(16807, 'Broussonetone A', '7a,16,17-trihydroxy-ent-kauran-6-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C@:16]2(O)[CH2:17]O)[C@H:7](O)[C:6](=O)[C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@H]2C[C@]1(C[C@]2(O)CO)[C@H](O)C(=O)[C@]4([H])[C@@](C)(C)CCC[C@@]34C', '[H][C@@:55]13[CH2:18][CH2:26][C@H:45]2[CH2:28][C@:56]1([CH2:50][C@:81]2(O)[CH2:66]O)[C@H:79](O)[C:211](=O)[C@:64]4([H])[C@@:32]([CH3:22])([CH3:32])[CH2:42][CH2:18][CH2:41][C@@:46]34[CH3:19]', '26 29 H 16.68 -11.71 H 15.46 -13.84 C:19 13.21 -14.51 C:18 15.18 -14.60 C:20 15.46 -10.03 O 16.68 -14.96 O 20.41 -7.90 O 19.14 -13.51 O 21.45 -11.08 C:2 13.01 -11.44 C:17 21.05 -9.14 C:12 17.90 -8.59 C:3 13.01 -12.83 C:1 14.22 -10.72 C:11 16.68 -9.31 C:14 19.14 -10.72 C:15 19.48 -11.71 C:6 16.68 -13.56 C:7 17.90 -12.83 C:13 19.14 -9.31 C:4 14.22 -13.56 C:9 16.68 -10.72 C:5 15.46 -12.83 C:10 15.46 -11.44 C:16 20.29 -10.31 C:8 17.90 -11.44 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -2 25 9 -2 10 13 1 10 14 1 25 11 -1 12 15 1 12 20 1 13 21 1 14 24 1 15 22 1 20 16 -2 26 16 -2 17 25 1 17 26 1 18 19 1 18 23 1 19 26 1 20 25 1 21 23 1 22 24 1 22 26 1 23 24 1', '26 29 H 16.68 -11.71 H 15.46 -13.84 C 13.21 -14.51 C 15.18 -14.60 C 15.46 -10.03 O 16.68 -14.96 O 20.41 -7.90 O 19.14 -13.51 O 21.45 -11.08 C 13.01 -11.44 C 21.05 -9.14 C 17.90 -8.59 C 13.01 -12.83 C 14.22 -10.72 C 16.68 -9.31 C 19.14 -10.72 C 19.48 -11.71 C 16.68 -13.56 C 17.90 -12.83 C 19.14 -9.31 C 14.22 -13.56 C 16.68 -10.72 C 15.46 -12.83 C 15.46 -11.44 C 20.29 -10.31 C 17.90 -11.44 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -2 25 9 -2 10 13 1 10 14 1 25 11 -1 12 15 1 12 20 1 13 21 1 14 24 1 15 22 1 20 16 -2 26 16 -2 17 25 1 17 26 1 18 19 1 18 23 1 19 26 1 20 25 1 21 23 1 22 24 1 22 26 1 23 24 1', '26 29 H 16.68 -11.71 H 15.46 -13.84 C:22 13.21 -14.51 C:32 15.18 -14.60 C:19 15.46 -10.03 O 16.68 -14.96 O 20.41 -7.90 O 19.14 -13.51 O 21.45 -11.08 C:18 13.01 -11.44 C:66 21.05 -9.14 C:26 17.90 -8.59 C:42 13.01 -12.83 C:41 14.22 -10.72 C:18 16.68 -9.31 C:28 19.14 -10.72 C:50 19.48 -11.71 C:211 16.68 -13.56 C:79 17.90 -12.83 C:45 19.14 -9.31 C:32 14.22 -13.56 C:55 16.68 -10.72 C:64 15.46 -12.83 C:46 15.46 -11.44 C:81 20.29 -10.31 C:56 17.90 -11.44 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -2 25 9 -2 10 13 1 10 14 1 25 11 -1 12 15 1 12 20 1 13 21 1 14 24 1 15 22 1 20 16 -2 26 16 -2 17 25 1 17 26 1 18 19 1 18 23 1 19 26 1 20 25 1 21 23 1 22 24 1 22 26 1 23 24 1', 'C20H32O4', 336.227, 'C', 'np08_1930_1', 4209, '', '', '1', 47, NULL, NULL),
(16808, 'Broussonetone B', '7b,16R,17-trihydroxy-entkauran-6-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C@:16]2(O)[CH2:17]O)[C@@H:7](O)[C:6](=O)[C@:5]4([H])[C@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@H]2C[C@]1(C[C@]2(O)CO)[C@@H](O)C(=O)[C@]4([H])[C@](C)(C)CCC[C@@]34C', '[H][C@@:52]13[CH2:19][CH2:27][C@H:46]2[CH2:35][C@:54]1([CH2:50][C@:81]2(O)[CH2:66]O)[C@@H:86](O)[C:214](=O)[C@:59]4([H])[C@:32]([CH3:33])([CH3:22])[CH2:43][CH2:19][CH2:42][C@@:46]34[CH3:19]', '26 29 H 16.68 -11.71 H 15.46 -13.84 C:18 15.18 -14.60 C:19 13.21 -14.51 C:20 15.46 -10.03 O 16.68 -14.96 O 20.41 -7.90 O 19.14 -13.51 O 21.45 -11.08 C:2 13.01 -11.44 C:17 21.05 -9.14 C:12 17.90 -8.59 C:3 13.01 -12.83 C:1 14.22 -10.72 C:11 16.68 -9.31 C:14 19.14 -10.72 C:15 19.48 -11.71 C:6 16.68 -13.56 C:7 17.90 -12.83 C:13 19.14 -9.31 C:4 14.22 -13.56 C:9 16.68 -10.72 C:5 15.46 -12.83 C:10 15.46 -11.44 C:16 20.29 -10.31 C:8 17.90 -11.44 22 1 -1 23 2 -1 21 3 -1 21 4 -2 24 5 -2 6 18 2 7 11 1 19 8 -1 25 9 -2 10 13 1 10 14 1 25 11 -1 12 15 1 12 20 1 13 21 1 14 24 1 15 22 1 20 16 -2 26 16 -2 17 25 1 17 26 1 18 19 1 18 23 1 19 26 1 20 25 1 21 23 1 22 24 1 22 26 1 23 24 1', '26 29 H 16.68 -11.71 H 15.46 -13.84 C 15.18 -14.60 C 13.21 -14.51 C 15.46 -10.03 O 16.68 -14.96 O 20.41 -7.90 O 19.14 -13.51 O 21.45 -11.08 C 13.01 -11.44 C 21.05 -9.14 C 17.90 -8.59 C 13.01 -12.83 C 14.22 -10.72 C 16.68 -9.31 C 19.14 -10.72 C 19.48 -11.71 C 16.68 -13.56 C 17.90 -12.83 C 19.14 -9.31 C 14.22 -13.56 C 16.68 -10.72 C 15.46 -12.83 C 15.46 -11.44 C 20.29 -10.31 C 17.90 -11.44 22 1 -1 23 2 -1 21 3 -1 21 4 -2 24 5 -2 6 18 2 7 11 1 19 8 -1 25 9 -2 10 13 1 10 14 1 25 11 -1 12 15 1 12 20 1 13 21 1 14 24 1 15 22 1 20 16 -2 26 16 -2 17 25 1 17 26 1 18 19 1 18 23 1 19 26 1 20 25 1 21 23 1 22 24 1 22 26 1 23 24 1', '26 29 H 16.68 -11.71 H 15.46 -13.84 C:33 15.18 -14.60 C:22 13.21 -14.51 C:19 15.46 -10.03 O 16.68 -14.96 O 20.41 -7.90 O 19.14 -13.51 O 21.45 -11.08 C:19 13.01 -11.44 C:66 21.05 -9.14 C:27 17.90 -8.59 C:43 13.01 -12.83 C:42 14.22 -10.72 C:19 16.68 -9.31 C:35 19.14 -10.72 C:50 19.48 -11.71 C:214 16.68 -13.56 C:86 17.90 -12.83 C:46 19.14 -9.31 C:32 14.22 -13.56 C:52 16.68 -10.72 C:59 15.46 -12.83 C:46 15.46 -11.44 C:81 20.29 -10.31 C:54 17.90 -11.44 22 1 -1 23 2 -1 21 3 -1 21 4 -2 24 5 -2 6 18 2 7 11 1 19 8 -1 25 9 -2 10 13 1 10 14 1 25 11 -1 12 15 1 12 20 1 13 21 1 14 24 1 15 22 1 20 16 -2 26 16 -2 17 25 1 17 26 1 18 19 1 18 23 1 19 26 1 20 25 1 21 23 1 22 24 1 22 26 1 23 24 1', 'C20H32O4', 336.227, 'A', 'np08_1930_2', 4209, '', '', '1', 47, NULL, NULL);
