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
(14446, '', '15,16-Epoxy-labda-13(16),14-dieno-6β,7β,9a-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@H:6](O)[C@H:7](O)[C@@H:8]([CH3:17])[C@:9](O)([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@H](O)[C@H](O)[C@@H](C)[C@](O)(CCc1ccoc1)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:48]23[C@H:71](O)[C@H:74](O)[C@@H:38]([CH3:12])[C@:79](O)([CH2:22][CH2:30][c:126]1[cH:111][cH:143]o[cH:139]1)[C@@:43]2([CH3:20])[CH2:35][CH2:19][CH2:44][C@@:34]3([CH3:25])[CH3:34]', '25 27 H 16.65 -15.24 C:17 20.33 -12.13 C:19 14.46 -16.04 C:18 16.37 -16.04 C:20 16.65 -11.42 O 20.33 -14.97 O 17.89 -16.40 O 19.11 -11.42 C:15 19.79 -6.44 C:14 20.26 -7.78 C:16 17.98 -7.78 C:2 14.18 -12.85 C:12 19.11 -10.03 C:3 14.18 -14.27 C:1 15.43 -12.13 C:11 17.89 -10.74 O 18.41 -6.44 C:13 19.11 -8.61 C:8 19.11 -12.85 C:7 19.11 -14.27 C:6 17.88 -15.00 C:4 15.43 -15.00 C:10 16.65 -12.85 C:5 16.65 -14.27 C:9 17.89 -12.13 24 1 -2 19 2 -2 22 3 -1 22 4 -2 23 5 -1 20 6 -1 21 7 -1 25 8 -2 9 10 2 9 17 1 10 18 1 11 17 1 11 18 2 12 14 1 12 15 1 13 16 1 13 18 1 14 22 1 15 23 1 25 16 -1 19 20 1 19 25 1 20 21 1 21 24 1 22 24 1 23 24 1 23 25 1', '25 27 H 16.65 -15.24 C 20.33 -12.13 C 14.46 -16.04 C 16.37 -16.04 C 16.65 -11.42 O 20.33 -14.97 O 17.89 -16.40 O 19.11 -11.42 C 19.79 -6.44 C 20.26 -7.78 C 17.98 -7.78 C 14.18 -12.85 C 19.11 -10.03 C 14.18 -14.27 C 15.43 -12.13 C 17.89 -10.74 O 18.41 -6.44 C 19.11 -8.61 C 19.11 -12.85 C 19.11 -14.27 C 17.88 -15.00 C 15.43 -15.00 C 16.65 -12.85 C 16.65 -14.27 C 17.89 -12.13 24 1 -2 19 2 -2 22 3 -1 22 4 -2 23 5 -1 20 6 -1 21 7 -1 25 8 -2 9 10 2 9 17 1 10 18 1 11 17 1 11 18 2 12 14 1 12 15 1 13 16 1 13 18 1 14 22 1 15 23 1 25 16 -1 19 20 1 19 25 1 20 21 1 21 24 1 22 24 1 23 24 1 23 25 1', '25 27 H 16.65 -15.24 C:12 20.33 -12.13 C:25 14.46 -16.04 C:34 16.37 -16.04 C:20 16.65 -11.42 O 20.33 -14.97 O 17.89 -16.40 O 19.11 -11.42 C:143 19.79 -6.44 C:111 20.26 -7.78 C:139 17.98 -7.78 C:19 14.18 -12.85 C:30 19.11 -10.03 C:44 14.18 -14.27 C:35 15.43 -12.13 C:22 17.89 -10.74 O 18.41 -6.44 C:126 19.11 -8.61 C:38 19.11 -12.85 C:74 19.11 -14.27 C:71 17.88 -15.00 C:34 15.43 -15.00 C:43 16.65 -12.85 C:48 16.65 -14.27 C:79 17.89 -12.13 24 1 -2 19 2 -2 22 3 -1 22 4 -2 23 5 -1 20 6 -1 21 7 -1 25 8 -2 9 10 2 9 17 1 10 18 1 11 17 1 11 18 2 12 14 1 12 15 1 13 16 1 13 18 1 14 22 1 15 23 1 25 16 -1 19 20 1 19 25 1 20 21 1 21 24 1 22 24 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'C', 'tt08_10860_9', 3690, '', '', '1', 50, NULL, NULL),
(14447, '', '7β-Acetoxy-9α-hydroxy-15,16-epoxy-labda-13(16),14-dien-6-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9](O)([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23C(=O)[C@H](OC(C)=O)[C@@H](C)[C@](O)(CCc1ccoc1)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:57]23[C:205](=O)[C@H:80](O[C:171]([CH3:21])=O)[C@@H:44]([CH3:12])[C@:78](O)([CH2:22][CH2:32][c:125]1[cH:111][cH:144]o[cH:139]1)[C@@:49]2([CH3:18])[CH2:35][CH2:18][CH2:42][C@:33]3([CH3:33])[CH3:22]', '28 30 H 16.04 -14.91 C:7002 20.92 -16.75 C:17 19.71 -11.80 C:18 15.76 -15.71 C:19 13.85 -15.71 C:20 16.04 -11.09 O 18.51 -16.75 O 17.28 -16.07 O 18.51 -11.09 C:15 19.17 -6.10 C:14 19.64 -7.44 C:16 17.36 -7.44 C:2 13.57 -12.52 C:12 18.51 -9.70 C:3 13.57 -13.94 C:1 14.82 -11.80 C:11 17.28 -10.41 O 19.71 -14.67 O 17.79 -6.10 C:7001 19.71 -16.07 C:6 17.28 -14.67 C:13 18.51 -8.27 C:8 18.51 -12.52 C:7 18.51 -13.94 C:4 14.82 -14.67 C:10 16.04 -12.52 C:5 16.04 -13.94 C:9 17.28 -11.80 27 1 -2 2 20 1 23 3 -2 25 4 -2 25 5 -1 26 6 -1 7 20 2 8 21 2 28 9 -2 10 11 2 10 19 1 11 22 1 12 19 1 12 22 2 13 15 1 13 16 1 14 17 1 14 22 1 15 25 1 16 26 1 28 17 -1 18 20 1 24 18 -1 21 24 1 21 27 1 23 24 1 23 28 1 25 27 1 26 27 1 26 28 1', '28 30 H 16.04 -14.91 C 20.92 -16.75 C 19.71 -11.80 C 15.76 -15.71 C 13.85 -15.71 C 16.04 -11.09 O 18.51 -16.75 O 17.28 -16.07 O 18.51 -11.09 C 19.17 -6.10 C 19.64 -7.44 C 17.36 -7.44 C 13.57 -12.52 C 18.51 -9.70 C 13.57 -13.94 C 14.82 -11.80 C 17.28 -10.41 O 19.71 -14.67 O 17.79 -6.10 C 19.71 -16.07 C 17.28 -14.67 C 18.51 -8.27 C 18.51 -12.52 C 18.51 -13.94 C 14.82 -14.67 C 16.04 -12.52 C 16.04 -13.94 C 17.28 -11.80 27 1 -2 2 20 1 23 3 -2 25 4 -2 25 5 -1 26 6 -1 7 20 2 8 21 2 28 9 -2 10 11 2 10 19 1 11 22 1 12 19 1 12 22 2 13 15 1 13 16 1 14 17 1 14 22 1 15 25 1 16 26 1 28 17 -1 18 20 1 24 18 -1 21 24 1 21 27 1 23 24 1 23 28 1 25 27 1 26 27 1 26 28 1', '28 30 H 16.04 -14.91 C:21 20.92 -16.75 C:12 19.71 -11.80 C:33 15.76 -15.71 C:22 13.85 -15.71 C:18 16.04 -11.09 O 18.51 -16.75 O 17.28 -16.07 O 18.51 -11.09 C:144 19.17 -6.10 C:111 19.64 -7.44 C:139 17.36 -7.44 C:18 13.57 -12.52 C:32 18.51 -9.70 C:42 13.57 -13.94 C:35 14.82 -11.80 C:22 17.28 -10.41 O 19.71 -14.67 O 17.79 -6.10 C:171 19.71 -16.07 C:205 17.28 -14.67 C:125 18.51 -8.27 C:44 18.51 -12.52 C:80 18.51 -13.94 C:33 14.82 -14.67 C:49 16.04 -12.52 C:57 16.04 -13.94 C:78 17.28 -11.80 27 1 -2 2 20 1 23 3 -2 25 4 -2 25 5 -1 26 6 -1 7 20 2 8 21 2 28 9 -2 10 11 2 10 19 1 11 22 1 12 19 1 12 22 2 13 15 1 13 16 1 14 17 1 14 22 1 15 25 1 16 26 1 28 17 -1 18 20 1 24 18 -1 21 24 1 21 27 1 23 24 1 23 28 1 25 27 1 26 27 1 26 28 1', 'C22H32O5', 376.24, 'C', 'tt08_10860_18', 3690, '', '', '1', 50, NULL, NULL),
(14448, '', '7β-Acetoxy-9α,16-dihydroxy-6-oxo-labd-13-en-16,15-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9](O)([CH2:11][CH2:12][C:13]1=[CH:14][C:15](=O)O[CH:16]1O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C(=O)[C@H](OC(C)=O)[C@@H](C)[C@](O)(CCC1=CC(=O)OC1O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:56]23[C:205](=O)[C@H:79](O[C:171]([CH3:21])=O)[C@@H:48]([CH3:12])[C@:77](O)([CH2:31][CH2:24][C:169]1=[CH:118][C:171](=O)O[CH:99]1O)[C@@:49]2([CH3:18])[CH2:32][CH2:18][CH2:42][C@@:33]3([CH3:22])[CH3:33]', '30 32 H 16.06 -15.43 C:7002 20.96 -17.31 C:17 19.74 -12.34 C:19 13.87 -16.23 C:18 15.78 -16.23 C:20 16.06 -11.63 O 18.55 -17.31 O 19.97 -5.50 O 17.30 -16.59 O 16.06 -8.42 O 18.55 -11.63 C:14 19.65 -7.98 C:2 13.59 -13.06 C:12 18.55 -10.24 C:3 13.59 -14.47 C:1 14.84 -12.34 C:11 17.30 -10.95 O 17.81 -6.65 O 19.74 -15.19 C:7001 19.74 -16.59 C:15 19.19 -6.65 C:13 18.55 -8.82 C:6 17.30 -15.19 C:8 18.55 -13.06 C:16 17.38 -7.98 C:7 18.55 -14.47 C:4 14.84 -15.19 C:5 16.06 -14.47 C:10 16.06 -13.06 C:9 17.30 -12.34 28 1 -2 2 20 1 24 3 -2 27 4 -1 27 5 -2 29 6 -1 7 20 2 8 21 2 9 23 2 10 25 1 30 11 -2 12 21 1 12 22 2 13 15 1 13 16 1 14 17 1 14 22 1 15 27 1 16 29 1 30 17 -1 18 21 1 18 25 1 19 20 1 26 19 -1 22 25 1 23 26 1 23 28 1 24 26 1 24 30 1 27 28 1 28 29 1 29 30 1', '30 32 H 16.06 -15.43 C 20.96 -17.31 C 19.74 -12.34 C 13.87 -16.23 C 15.78 -16.23 C 16.06 -11.63 O 18.55 -17.31 O 19.97 -5.50 O 17.30 -16.59 O 16.06 -8.42 O 18.55 -11.63 C 19.65 -7.98 C 13.59 -13.06 C 18.55 -10.24 C 13.59 -14.47 C 14.84 -12.34 C 17.30 -10.95 O 17.81 -6.65 O 19.74 -15.19 C 19.74 -16.59 C 19.19 -6.65 C 18.55 -8.82 C 17.30 -15.19 C 18.55 -13.06 C 17.38 -7.98 C 18.55 -14.47 C 14.84 -15.19 C 16.06 -14.47 C 16.06 -13.06 C 17.30 -12.34 28 1 -2 2 20 1 24 3 -2 27 4 -1 27 5 -2 29 6 -1 7 20 2 8 21 2 9 23 2 10 25 1 30 11 -2 12 21 1 12 22 2 13 15 1 13 16 1 14 17 1 14 22 1 15 27 1 16 29 1 30 17 -1 18 21 1 18 25 1 19 20 1 26 19 -1 22 25 1 23 26 1 23 28 1 24 26 1 24 30 1 27 28 1 28 29 1 29 30 1', '30 32 H 16.06 -15.43 C:21 20.96 -17.31 C:12 19.74 -12.34 C:22 13.87 -16.23 C:33 15.78 -16.23 C:18 16.06 -11.63 O 18.55 -17.31 O 19.97 -5.50 O 17.30 -16.59 O 16.06 -8.42 O 18.55 -11.63 C:118 19.65 -7.98 C:18 13.59 -13.06 C:24 18.55 -10.24 C:42 13.59 -14.47 C:32 14.84 -12.34 C:31 17.30 -10.95 O 17.81 -6.65 O 19.74 -15.19 C:171 19.74 -16.59 C:171 19.19 -6.65 C:169 18.55 -8.82 C:205 17.30 -15.19 C:48 18.55 -13.06 C:99 17.38 -7.98 C:79 18.55 -14.47 C:33 14.84 -15.19 C:56 16.06 -14.47 C:49 16.06 -13.06 C:77 17.30 -12.34 28 1 -2 2 20 1 24 3 -2 27 4 -1 27 5 -2 29 6 -1 7 20 2 8 21 2 9 23 2 10 25 1 30 11 -2 12 21 1 12 22 2 13 15 1 13 16 1 14 17 1 14 22 1 15 27 1 16 29 1 30 17 -1 18 21 1 18 25 1 19 20 1 26 19 -1 22 25 1 23 26 1 23 28 1 24 26 1 24 30 1 27 28 1 28 29 1 29 30 1', 'C22H32O7', 408.239, 'C', 'tt08_10860_19', 3690, '', '', '1', 50, NULL, NULL),
(14449, '', '(E)-Labda-8(17),12,14-trien-15(16)-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[c:13]1[cH:14][cH:15]o[c:16]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CCC(=C)[C@H](CC=c1ccoc1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:55]23[CH2:24][CH2:38][C:148](=[CH2:108])[C@H:57]([CH2:26][CH:145]=[c:126]1[cH:105][cH:145]o[c:168]1=O)[C@@:40]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:34]', '23 25 H 16.01 -15.44 C:17 19.68 -12.34 C:19 13.81 -16.24 C:18 15.73 -16.24 C:20 16.01 -11.64 O 20.93 -8.40 C:12 18.49 -10.23 C:15 17.75 -6.64 C:14 17.32 -7.97 C:2 13.53 -13.06 C:11 17.24 -10.95 C:7 18.49 -14.47 C:3 13.53 -14.47 C:1 14.79 -12.34 C:6 17.24 -15.20 O 19.13 -6.64 C:8 18.49 -13.06 C:16 19.59 -7.97 C:13 18.49 -8.81 C:9 17.24 -12.34 C:4 14.79 -15.20 C:5 16.01 -14.47 C:10 16.01 -13.06 22 1 -2 2 17 2 21 3 -1 21 4 -2 23 5 -1 6 18 2 7 11 1 7 19 2 8 9 2 8 16 1 9 19 1 10 13 1 10 14 1 20 11 -1 12 15 1 12 17 1 13 21 1 14 23 1 15 22 1 16 18 1 17 20 1 18 19 1 20 23 1 21 22 1 22 23 1', '23 25 H 16.01 -15.44 C 19.68 -12.34 C 13.81 -16.24 C 15.73 -16.24 C 16.01 -11.64 O 20.93 -8.40 C 18.49 -10.23 C 17.75 -6.64 C 17.32 -7.97 C 13.53 -13.06 C 17.24 -10.95 C 18.49 -14.47 C 13.53 -14.47 C 14.79 -12.34 C 17.24 -15.20 O 19.13 -6.64 C 18.49 -13.06 C 19.59 -7.97 C 18.49 -8.81 C 17.24 -12.34 C 14.79 -15.20 C 16.01 -14.47 C 16.01 -13.06 22 1 -2 2 17 2 21 3 -1 21 4 -2 23 5 -1 6 18 2 7 11 1 7 19 2 8 9 2 8 16 1 9 19 1 10 13 1 10 14 1 20 11 -1 12 15 1 12 17 1 13 21 1 14 23 1 15 22 1 16 18 1 17 20 1 18 19 1 20 23 1 21 22 1 22 23 1', '23 25 H 16.01 -15.44 C:108 19.68 -12.34 C:22 13.81 -16.24 C:34 15.73 -16.24 C:14 16.01 -11.64 O 20.93 -8.40 C:145 18.49 -10.23 C:145 17.75 -6.64 C:105 17.32 -7.97 C:19 13.53 -13.06 C:26 17.24 -10.95 C:38 18.49 -14.47 C:42 13.53 -14.47 C:39 14.79 -12.34 C:24 17.24 -15.20 O 19.13 -6.64 C:148 18.49 -13.06 C:168 19.59 -7.97 C:126 18.49 -8.81 C:57 17.24 -12.34 C:34 14.79 -15.20 C:55 16.01 -14.47 C:40 16.01 -13.06 22 1 -2 2 17 2 21 3 -1 21 4 -2 23 5 -1 6 18 2 7 11 1 7 19 2 8 9 2 8 16 1 9 19 1 10 13 1 10 14 1 20 11 -1 12 15 1 12 17 1 13 21 1 14 23 1 15 22 1 16 18 1 17 20 1 18 19 1 20 23 1 21 22 1 22 23 1', 'C20H28O2', 300.221, 'C', 'ttl07_7747_3', 4303, '', '', '1', 1, NULL, NULL),
(14450, 'Sigmosceptrellin-B', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[H][C@:3]1([C@H:2]([CH3:20])[C:1](=O)O)[CH2:4][CH2:5][C@:6]([CH3:21])([CH2:7][CH2:8][CH:9]=[C:10]([CH3:22])[CH2:11][CH2:12][C:13](=O)[C@:14]([CH3:24])([CH3:23])[CH2:15][CH2:16][CH2:17][C:18]([CH3:19])=O)OO1', '[H][C@]1([C@H](C)C(=O)O)CC[C@](C)(CCC=C(C)CCC(=O)[C@](C)(C)CCCC(C)=O)OO1', '[H][C@:81]1([C@H:43]([CH3:13])[C:179](=O)O)[CH2:23][CH2:32][C@:80]([CH3:21])([CH2:40][CH2:22][CH:124]=[C:135]([CH3:16])[CH2:34][CH2:36][C:215](=O)[C@:48]([CH3:24])([CH3:24])[CH2:39][CH2:19][CH2:44][C:209]([CH3:30])=O)OO1', '31 31 H 24.58 -13.14 C:19 6.22 -10.01 C:22 17.24 -12.13 C:20 25.81 -14.25 C:24 11.63 -11.94 C:23 13.05 -11.94 C:21 22.13 -9.30 O 7.45 -12.13 O 28.25 -12.83 O 13.56 -8.59 O 27.03 -10.71 C:9 18.46 -10.01 C:8 19.68 -10.71 C:16 9.90 -10.71 C:17 8.66 -10.01 C:11 16.01 -10.01 C:12 14.78 -10.71 C:7 20.91 -10.01 C:15 11.12 -10.01 C:5 22.13 -12.13 C:4 23.37 -12.83 O 23.37 -10.01 O 24.58 -10.71 C:18 7.45 -10.71 C:10 17.24 -10.71 C:1 27.03 -12.13 C:13 13.56 -10.01 C:2 25.81 -12.83 C:14 12.34 -10.71 C:6 22.13 -10.71 C:3 24.58 -12.13 31 1 -2 2 24 1 3 25 1 28 4 -1 29 5 -1 29 6 -2 30 7 -1 8 24 2 9 26 2 10 27 2 11 26 1 12 13 1 12 25 2 13 18 1 14 15 1 14 19 1 15 24 1 16 17 1 16 25 1 17 27 1 18 30 1 19 29 1 20 21 1 20 30 1 21 31 1 22 23 1 22 30 1 23 31 1 26 28 1 27 29 1 28 31 1', '31 31 H 24.58 -13.14 C 6.22 -10.01 C 17.24 -12.13 C 25.81 -14.25 C 11.63 -11.94 C 13.05 -11.94 C 22.13 -9.30 O 7.45 -12.13 O 28.25 -12.83 O 13.56 -8.59 O 27.03 -10.71 C 18.46 -10.01 C 19.68 -10.71 C 9.90 -10.71 C 8.66 -10.01 C 16.01 -10.01 C 14.78 -10.71 C 20.91 -10.01 C 11.12 -10.01 C 22.13 -12.13 C 23.37 -12.83 O 23.37 -10.01 O 24.58 -10.71 C 7.45 -10.71 C 17.24 -10.71 C 27.03 -12.13 C 13.56 -10.01 C 25.81 -12.83 C 12.34 -10.71 C 22.13 -10.71 C 24.58 -12.13 31 1 -2 2 24 1 3 25 1 28 4 -1 29 5 -1 29 6 -2 30 7 -1 8 24 2 9 26 2 10 27 2 11 26 1 12 13 1 12 25 2 13 18 1 14 15 1 14 19 1 15 24 1 16 17 1 16 25 1 17 27 1 18 30 1 19 29 1 20 21 1 20 30 1 21 31 1 22 23 1 22 30 1 23 31 1 26 28 1 27 29 1 28 31 1', '31 31 H 24.58 -13.14 C:30 6.22 -10.01 C:16 17.24 -12.13 C:13 25.81 -14.25 C:24 11.63 -11.94 C:24 13.05 -11.94 C:21 22.13 -9.30 O 7.45 -12.13 O 28.25 -12.83 O 13.56 -8.59 O 27.03 -10.71 C:124 18.46 -10.01 C:22 19.68 -10.71 C:19 9.90 -10.71 C:44 8.66 -10.01 C:34 16.01 -10.01 C:36 14.78 -10.71 C:40 20.91 -10.01 C:39 11.12 -10.01 C:32 22.13 -12.13 C:23 23.37 -12.83 O 23.37 -10.01 O 24.58 -10.71 C:209 7.45 -10.71 C:135 17.24 -10.71 C:179 27.03 -12.13 C:215 13.56 -10.01 C:43 25.81 -12.83 C:48 12.34 -10.71 C:80 22.13 -10.71 C:81 24.58 -12.13 31 1 -2 2 24 1 3 25 1 28 4 -1 29 5 -1 29 6 -2 30 7 -1 8 24 2 9 26 2 10 27 2 11 26 1 12 13 1 12 25 2 13 18 1 14 15 1 14 19 1 15 24 1 16 17 1 16 25 1 17 27 1 18 30 1 19 29 1 20 21 1 20 30 1 21 31 1 22 23 1 22 30 1 23 31 1 26 28 1 27 29 1 28 31 1', 'C24H40O6', 424.261, 'C', 'np01_522_1', 3691, '', '', '1', 47, NULL, NULL),
(14451, 'Aikupikoxide A', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[H][C@@:3]1([C@@H:2]([CH3:20])[C:1](=O)O)[CH2:4][CH2:5][C@@:6]([CH3:21])([CH2:7][CH2:8][CH:9]=[C:10]([CH3:22])[CH2:11][CH2:12][C:13](=O)[C@@:14]([CH3:23])([CH3:24])[CH2:15][CH2:16][CH2:17][C:18]([CH3:19])=O)OO1', '[H][C@@]1([C@@H](C)C(=O)O)CC[C@@](C)(CCC=C(C)CCC(=O)[C@@](C)(C)CCCC(C)=O)OO1', '[H][C@@:81]1([C@@H:43]([CH3:13])[C:178](=O)O)[CH2:23][CH2:32][C@@:80]([CH3:21])([CH2:40][CH2:22][CH:124]=[C:135]([CH3:16])[CH2:33][CH2:36][C:215](=O)[C@@:47]([CH3:24])([CH3:24])[CH2:39][CH2:19][CH2:44][C:209]([CH3:30])=O)OO1', '31 31 H 24.58 -13.14 C:19 6.22 -10.01 C:22 17.24 -12.13 C:20 25.81 -14.25 C:23 13.05 -11.94 C:24 11.63 -11.94 C:21 22.13 -9.30 O 7.45 -12.13 O 28.25 -12.83 O 13.56 -8.59 O 27.03 -10.71 C:9 18.46 -10.01 C:8 19.68 -10.71 C:16 9.90 -10.71 C:17 8.66 -10.01 C:11 16.01 -10.01 C:12 14.78 -10.71 C:7 20.91 -10.01 C:15 11.12 -10.01 C:5 22.13 -12.13 C:4 23.37 -12.83 O 23.37 -10.01 O 24.58 -10.71 C:18 7.45 -10.71 C:10 17.24 -10.71 C:1 27.03 -12.13 C:13 13.56 -10.01 C:2 25.81 -12.83 C:14 12.34 -10.71 C:6 22.13 -10.71 C:3 24.58 -12.13 31 1 -1 2 24 1 3 25 1 28 4 -2 29 5 -2 29 6 -1 30 7 -2 8 24 2 9 26 2 10 27 2 11 26 1 12 13 1 12 25 2 13 18 1 14 15 1 14 19 1 15 24 1 16 17 1 16 25 1 17 27 1 18 30 1 19 29 1 20 21 1 20 30 1 21 31 1 22 23 1 22 30 1 23 31 1 26 28 1 27 29 1 28 31 1', '31 31 H 24.58 -13.14 C 6.22 -10.01 C 17.24 -12.13 C 25.81 -14.25 C 13.05 -11.94 C 11.63 -11.94 C 22.13 -9.30 O 7.45 -12.13 O 28.25 -12.83 O 13.56 -8.59 O 27.03 -10.71 C 18.46 -10.01 C 19.68 -10.71 C 9.90 -10.71 C 8.66 -10.01 C 16.01 -10.01 C 14.78 -10.71 C 20.91 -10.01 C 11.12 -10.01 C 22.13 -12.13 C 23.37 -12.83 O 23.37 -10.01 O 24.58 -10.71 C 7.45 -10.71 C 17.24 -10.71 C 27.03 -12.13 C 13.56 -10.01 C 25.81 -12.83 C 12.34 -10.71 C 22.13 -10.71 C 24.58 -12.13 31 1 -1 2 24 1 3 25 1 28 4 -2 29 5 -2 29 6 -1 30 7 -2 8 24 2 9 26 2 10 27 2 11 26 1 12 13 1 12 25 2 13 18 1 14 15 1 14 19 1 15 24 1 16 17 1 16 25 1 17 27 1 18 30 1 19 29 1 20 21 1 20 30 1 21 31 1 22 23 1 22 30 1 23 31 1 26 28 1 27 29 1 28 31 1', '31 31 H 24.58 -13.14 C:30 6.22 -10.01 C:16 17.24 -12.13 C:13 25.81 -14.25 C:24 13.05 -11.94 C:24 11.63 -11.94 C:21 22.13 -9.30 O 7.45 -12.13 O 28.25 -12.83 O 13.56 -8.59 O 27.03 -10.71 C:124 18.46 -10.01 C:22 19.68 -10.71 C:19 9.90 -10.71 C:44 8.66 -10.01 C:33 16.01 -10.01 C:36 14.78 -10.71 C:40 20.91 -10.01 C:39 11.12 -10.01 C:32 22.13 -12.13 C:23 23.37 -12.83 O 23.37 -10.01 O 24.58 -10.71 C:209 7.45 -10.71 C:135 17.24 -10.71 C:178 27.03 -12.13 C:215 13.56 -10.01 C:43 25.81 -12.83 C:47 12.34 -10.71 C:80 22.13 -10.71 C:81 24.58 -12.13 31 1 -1 2 24 1 3 25 1 28 4 -2 29 5 -2 29 6 -1 30 7 -2 8 24 2 9 26 2 10 27 2 11 26 1 12 13 1 12 25 2 13 18 1 14 15 1 14 19 1 15 24 1 16 17 1 16 25 1 17 27 1 18 30 1 19 29 1 20 21 1 20 30 1 21 31 1 22 23 1 22 30 1 23 31 1 26 28 1 27 29 1 28 31 1', 'C24H40O6', 424.261, 'C', 'np01_1332_1', 3692, '', '', '1', 47, NULL, NULL),
(14452, 'Aikupikoxide B', '', 'Terpenoids', 'Sesterterpenoids', 'Monocarbocyclics', '[H][C@@:3]2([C@H:2]([CH3:15])[C:1](=O)O[CH3:1001])[CH2:4][CH2:5][C@:6]([CH3:16])([CH2:7][CH2:8][C:9]1(O)[C:14](=[CH2:19])[CH2:13][CH2:12][CH2:11][C@:10]1([CH3:17])[CH3:18])OO2', '[H][C@@]2([C@H](C)C(=O)OC)CC[C@](C)(CCC1(O)C(=C)CCC[C@]1(C)C)OO2', '[H][C@@:82]2([C@H:43]([CH3:13])[C:174](=O)O[CH3:52])[CH2:23][CH2:34][C@:80]([CH3:24])([CH2:27][CH2:23][C:89]1(O)[C:147](=[CH2:110])[CH2:35][CH2:20][CH2:40][C@:40]1([CH3:27])[CH3:23])OO2', '26 27 H 19.07 -13.48 C:19 14.16 -8.21 C:1001 23.97 -12.47 C:15 20.30 -14.60 C:17 12.71 -12.04 C:18 10.73 -12.04 C:16 16.62 -9.64 O 21.53 -11.04 O 14.16 -9.64 C:12 10.48 -8.93 C:13 11.66 -8.21 C:11 10.48 -10.34 C:4 17.85 -13.17 C:5 16.62 -12.47 C:7 15.39 -10.34 C:8 14.16 -11.04 O 22.74 -13.17 O 19.07 -11.04 O 17.85 -10.34 C:14 12.94 -8.93 C:1 21.53 -12.47 C:2 20.30 -13.17 C:10 11.71 -11.04 C:3 19.07 -12.47 C:6 16.62 -11.04 C:9 12.94 -10.34 24 1 -1 2 20 2 3 17 1 22 4 -1 23 5 -2 23 6 -1 25 7 -1 8 21 2 9 26 1 10 11 1 10 12 1 11 20 1 12 23 1 13 14 1 13 24 1 14 25 1 15 16 1 15 25 1 16 26 1 17 21 1 18 19 1 18 24 1 19 25 1 20 26 1 21 22 1 22 24 1 23 26 1', '26 27 H 19.07 -13.48 C 14.16 -8.21 C 23.97 -12.47 C 20.30 -14.60 C 12.71 -12.04 C 10.73 -12.04 C 16.62 -9.64 O 21.53 -11.04 O 14.16 -9.64 C 10.48 -8.93 C 11.66 -8.21 C 10.48 -10.34 C 17.85 -13.17 C 16.62 -12.47 C 15.39 -10.34 C 14.16 -11.04 O 22.74 -13.17 O 19.07 -11.04 O 17.85 -10.34 C 12.94 -8.93 C 21.53 -12.47 C 20.30 -13.17 C 11.71 -11.04 C 19.07 -12.47 C 16.62 -11.04 C 12.94 -10.34 24 1 -1 2 20 2 3 17 1 22 4 -1 23 5 -2 23 6 -1 25 7 -1 8 21 2 9 26 1 10 11 1 10 12 1 11 20 1 12 23 1 13 14 1 13 24 1 14 25 1 15 16 1 15 25 1 16 26 1 17 21 1 18 19 1 18 24 1 19 25 1 20 26 1 21 22 1 22 24 1 23 26 1', '26 27 H 19.07 -13.48 C:110 14.16 -8.21 C:52 23.97 -12.47 C:13 20.30 -14.60 C:27 12.71 -12.04 C:23 10.73 -12.04 C:24 16.62 -9.64 O 21.53 -11.04 O 14.16 -9.64 C:20 10.48 -8.93 C:35 11.66 -8.21 C:40 10.48 -10.34 C:23 17.85 -13.17 C:34 16.62 -12.47 C:27 15.39 -10.34 C:23 14.16 -11.04 O 22.74 -13.17 O 19.07 -11.04 O 17.85 -10.34 C:147 12.94 -8.93 C:174 21.53 -12.47 C:43 20.30 -13.17 C:40 11.71 -11.04 C:82 19.07 -12.47 C:80 16.62 -11.04 C:89 12.94 -10.34 24 1 -1 2 20 2 3 17 1 22 4 -1 23 5 -2 23 6 -1 25 7 -1 8 21 2 9 26 1 10 11 1 10 12 1 11 20 1 12 23 1 13 14 1 13 24 1 14 25 1 15 16 1 15 25 1 16 26 1 17 21 1 18 19 1 18 24 1 19 25 1 20 26 1 21 22 1 22 24 1 23 26 1', 'C20H34O5', 354.219, 'C', 'np01_1332_2', 3692, '', '', '1', 47, NULL, NULL),
(14453, 'Aikupikoxide C', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[H][C@@:3]1([C@H:2]([CH3:20])[C:1](=O)O[CH3:1001])[CH2:4][CH2:5][C@:6]([CH3:21])([CH2:7][CH2:8][C:9](=O)[C@:10]([CH3:24])([CH3:23])[CH2:11][CH2:12][CH2:13][C:14]([CH3:15])=O)OO1', '[H][C@@]1([C@H](C)C(=O)OC)CC[C@](C)(CCC(=O)[C@](C)(C)CCCC(C)=O)OO1', '[H][C@@:81]1([C@H:43]([CH3:13])[C:174](=O)O[CH3:52])[CH2:23][CH2:33][C@:79]([CH3:24])([CH2:28][CH2:31][C:216](=O)[C@:48]([CH3:24])([CH3:24])[CH2:39][CH2:19][CH2:44][C:209]([CH3:30])=O)OO1', '27 27 H 21.57 -13.13 C:1001 26.46 -12.09 C:15 8.07 -9.99 C:20 22.81 -14.24 C:24 13.53 -11.91 C:23 14.93 -11.91 C:21 19.12 -9.27 O 9.30 -12.09 O 15.44 -8.58 O 24.03 -10.69 C:12 11.75 -10.69 C:13 10.52 -9.99 C:8 16.66 -10.69 C:11 12.98 -9.99 C:7 17.89 -9.99 C:5 19.12 -12.09 C:4 20.35 -12.82 O 25.25 -12.82 O 20.35 -9.99 O 21.57 -10.69 C:14 9.30 -10.69 C:9 15.44 -9.99 C:1 24.03 -12.09 C:2 22.81 -12.82 C:10 14.22 -10.69 C:6 19.12 -10.69 C:3 21.57 -12.09 27 1 -1 2 18 1 3 21 1 24 4 -1 25 5 -1 25 6 -2 26 7 -1 8 21 2 9 22 2 10 23 2 11 12 1 11 14 1 12 21 1 13 15 1 13 22 1 14 25 1 15 26 1 16 17 1 16 26 1 17 27 1 18 23 1 19 20 1 19 26 1 20 27 1 22 25 1 23 24 1 24 27 1', '27 27 H 21.57 -13.13 C 26.46 -12.09 C 8.07 -9.99 C 22.81 -14.24 C 13.53 -11.91 C 14.93 -11.91 C 19.12 -9.27 O 9.30 -12.09 O 15.44 -8.58 O 24.03 -10.69 C 11.75 -10.69 C 10.52 -9.99 C 16.66 -10.69 C 12.98 -9.99 C 17.89 -9.99 C 19.12 -12.09 C 20.35 -12.82 O 25.25 -12.82 O 20.35 -9.99 O 21.57 -10.69 C 9.30 -10.69 C 15.44 -9.99 C 24.03 -12.09 C 22.81 -12.82 C 14.22 -10.69 C 19.12 -10.69 C 21.57 -12.09 27 1 -1 2 18 1 3 21 1 24 4 -1 25 5 -1 25 6 -2 26 7 -1 8 21 2 9 22 2 10 23 2 11 12 1 11 14 1 12 21 1 13 15 1 13 22 1 14 25 1 15 26 1 16 17 1 16 26 1 17 27 1 18 23 1 19 20 1 19 26 1 20 27 1 22 25 1 23 24 1 24 27 1', '27 27 H 21.57 -13.13 C:52 26.46 -12.09 C:30 8.07 -9.99 C:13 22.81 -14.24 C:24 13.53 -11.91 C:24 14.93 -11.91 C:24 19.12 -9.27 O 9.30 -12.09 O 15.44 -8.58 O 24.03 -10.69 C:19 11.75 -10.69 C:44 10.52 -9.99 C:31 16.66 -10.69 C:39 12.98 -9.99 C:28 17.89 -9.99 C:33 19.12 -12.09 C:23 20.35 -12.82 O 25.25 -12.82 O 20.35 -9.99 O 21.57 -10.69 C:209 9.30 -10.69 C:216 15.44 -9.99 C:174 24.03 -12.09 C:43 22.81 -12.82 C:48 14.22 -10.69 C:79 19.12 -10.69 C:81 21.57 -12.09 27 1 -1 2 18 1 3 21 1 24 4 -1 25 5 -1 25 6 -2 26 7 -1 8 21 2 9 22 2 10 23 2 11 12 1 11 14 1 12 21 1 13 15 1 13 22 1 14 25 1 15 26 1 16 17 1 16 26 1 17 27 1 18 23 1 19 20 1 19 26 1 20 27 1 22 25 1 23 24 1 24 27 1', 'C20H34O6', 370.218, 'C', 'np01_1332_3', 3692, '', '', '1', 47, NULL, NULL),
(14454, 'Aikupikoxide D', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[H][C@@:3]1([C@H:2]([CH3:20])[C:1](=O)O[CH3:1001])[CH2:4][CH2:5][C@:6]([CH3:21])([CH2:7][CH2:8][C:9](=O)[C:10](=[CH2:22])[CH2:11][CH2:12][CH2:13][C:14]([CH3:15])([CH3:23])O)OO1', '[H][C@@]1([C@H](C)C(=O)OC)CC[C@](C)(CCC(=O)C(=C)CCCC(C)(C)O)OO1', '[H][C@@:81]1([C@H:43]([CH3:13])[C:174](=O)O[CH3:52])[CH2:23][CH2:33][C@:79]([CH3:24])([CH2:29][CH2:32][C:202](=O)[C:149](=[CH2:124])[CH2:31][CH2:23][CH2:44][C:71]([CH3:30])([CH3:30])O)OO1', '27 27 H 21.55 -13.14 C:22 14.20 -12.10 C:1001 26.44 -12.10 C:20 22.79 -14.26 C:15 8.04 -10.00 C:23 9.25 -12.10 C:21 19.09 -9.28 O 15.40 -8.59 O 24.01 -10.70 O 8.04 -11.40 C:12 11.70 -10.70 C:11 12.93 -10.00 C:8 16.62 -10.70 C:13 10.47 -10.00 C:7 17.85 -10.00 C:4 20.33 -12.83 C:5 19.09 -12.10 O 25.23 -12.83 O 21.55 -10.70 O 20.33 -10.00 C:10 14.20 -10.70 C:9 15.40 -10.00 C:1 24.01 -12.10 C:2 22.79 -12.83 C:14 9.25 -10.70 C:3 21.55 -12.10 C:6 19.09 -10.70 26 1 -1 2 21 2 3 18 1 24 4 -1 5 25 1 6 25 1 27 7 -1 8 22 2 9 23 2 10 25 1 11 12 1 11 14 1 12 21 1 13 15 1 13 22 1 14 25 1 15 27 1 16 17 1 16 26 1 17 27 1 18 23 1 19 20 1 19 26 1 20 27 1 21 22 1 23 24 1 24 26 1', '27 27 H 21.55 -13.14 C 14.20 -12.10 C 26.44 -12.10 C 22.79 -14.26 C 8.04 -10.00 C 9.25 -12.10 C 19.09 -9.28 O 15.40 -8.59 O 24.01 -10.70 O 8.04 -11.40 C 11.70 -10.70 C 12.93 -10.00 C 16.62 -10.70 C 10.47 -10.00 C 17.85 -10.00 C 20.33 -12.83 C 19.09 -12.10 O 25.23 -12.83 O 21.55 -10.70 O 20.33 -10.00 C 14.20 -10.70 C 15.40 -10.00 C 24.01 -12.10 C 22.79 -12.83 C 9.25 -10.70 C 21.55 -12.10 C 19.09 -10.70 26 1 -1 2 21 2 3 18 1 24 4 -1 5 25 1 6 25 1 27 7 -1 8 22 2 9 23 2 10 25 1 11 12 1 11 14 1 12 21 1 13 15 1 13 22 1 14 25 1 15 27 1 16 17 1 16 26 1 17 27 1 18 23 1 19 20 1 19 26 1 20 27 1 21 22 1 23 24 1 24 26 1', '27 27 H 21.55 -13.14 C:124 14.20 -12.10 C:52 26.44 -12.10 C:13 22.79 -14.26 C:30 8.04 -10.00 C:30 9.25 -12.10 C:24 19.09 -9.28 O 15.40 -8.59 O 24.01 -10.70 O 8.04 -11.40 C:23 11.70 -10.70 C:31 12.93 -10.00 C:32 16.62 -10.70 C:44 10.47 -10.00 C:29 17.85 -10.00 C:23 20.33 -12.83 C:33 19.09 -12.10 O 25.23 -12.83 O 21.55 -10.70 O 20.33 -10.00 C:149 14.20 -10.70 C:202 15.40 -10.00 C:174 24.01 -12.10 C:43 22.79 -12.83 C:71 9.25 -10.70 C:81 21.55 -12.10 C:79 19.09 -10.70 26 1 -1 2 21 2 3 18 1 24 4 -1 5 25 1 6 25 1 27 7 -1 8 22 2 9 23 2 10 25 1 11 12 1 11 14 1 12 21 1 13 15 1 13 22 1 14 25 1 15 27 1 16 17 1 16 26 1 17 27 1 18 23 1 19 20 1 19 26 1 20 27 1 21 22 1 23 24 1 24 26 1', 'C20H34O6', 370.218, 'C', 'np01_1332_4', 3692, '', '', '1', 47, NULL, NULL),
(14455, 'Sigmosceptrellin D', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[H][C@:3]1([C@@H:2]([CH3:20])[C:1](=O)O[CH3:1001])[CH2:4][CH2:5][C@@:6]([CH3:21])([CH2:7][CH2:8][CH2:9][CH:10]([CH3:22])[CH2:11][CH2:12][CH2:13][C:14]([CH3:23])([CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:24])OO)OO1', '[H][C@]1([C@@H](C)C(=O)OC)CC[C@@](C)(CCCC(C)CCCC(C)(CCC=C(C)C)OO)OO1', '[H][C@:81]1([C@@H:43]([CH3:14])[C:174](=O)O[CH3:52])[CH2:24][CH2:32][C@@:81]([CH3:20])([CH2:36][CH2:22][CH2:43][CH:38]([CH3:13])[CH2:29][CH2:33][CH2:30][C:77]([CH3:17])([CH2:33][CH2:22][CH:125]=[C:132]([CH3:26])[CH3:18])OO)OO1', '32 32 H 24.02 -12.78 C:1001 28.91 -11.76 C:19 5.62 -9.64 C:24 6.85 -11.76 C:22 16.67 -11.76 C:20 25.26 -13.89 C:23 12.46 -11.55 C:21 21.56 -8.93 O 26.48 -10.34 O 11.76 -12.78 C:17 8.07 -9.64 C:16 9.32 -10.34 C:12 14.20 -10.34 C:8 19.11 -10.34 C:11 15.44 -9.64 C:9 17.89 -9.64 C:15 10.54 -9.64 C:13 12.98 -9.64 C:7 20.34 -9.64 C:5 21.56 -11.76 C:4 22.80 -12.46 O 27.70 -12.46 O 11.06 -11.55 O 22.80 -9.64 O 24.02 -10.34 C:18 6.85 -10.34 C:1 26.48 -11.76 C:10 16.67 -10.34 C:2 25.26 -12.46 C:14 11.76 -10.34 C:6 21.56 -10.34 C:3 24.02 -11.76 32 1 -2 2 22 1 3 26 1 4 26 1 5 28 1 29 6 -2 7 30 1 31 8 -2 9 27 2 10 23 1 11 12 1 11 26 2 12 17 1 13 15 1 13 18 1 14 16 1 14 19 1 15 28 1 16 28 1 17 30 1 18 30 1 19 31 1 20 21 1 20 31 1 21 32 1 22 27 1 23 30 1 24 25 1 24 31 1 25 32 1 27 29 1 29 32 1', '32 32 H 24.02 -12.78 C 28.91 -11.76 C 5.62 -9.64 C 6.85 -11.76 C 16.67 -11.76 C 25.26 -13.89 C 12.46 -11.55 C 21.56 -8.93 O 26.48 -10.34 O 11.76 -12.78 C 8.07 -9.64 C 9.32 -10.34 C 14.20 -10.34 C 19.11 -10.34 C 15.44 -9.64 C 17.89 -9.64 C 10.54 -9.64 C 12.98 -9.64 C 20.34 -9.64 C 21.56 -11.76 C 22.80 -12.46 O 27.70 -12.46 O 11.06 -11.55 O 22.80 -9.64 O 24.02 -10.34 C 6.85 -10.34 C 26.48 -11.76 C 16.67 -10.34 C 25.26 -12.46 C 11.76 -10.34 C 21.56 -10.34 C 24.02 -11.76 32 1 -2 2 22 1 3 26 1 4 26 1 5 28 1 29 6 -2 7 30 1 31 8 -2 9 27 2 10 23 1 11 12 1 11 26 2 12 17 1 13 15 1 13 18 1 14 16 1 14 19 1 15 28 1 16 28 1 17 30 1 18 30 1 19 31 1 20 21 1 20 31 1 21 32 1 22 27 1 23 30 1 24 25 1 24 31 1 25 32 1 27 29 1 29 32 1', '32 32 H 24.02 -12.78 C:52 28.91 -11.76 C:26 5.62 -9.64 C:18 6.85 -11.76 C:13 16.67 -11.76 C:14 25.26 -13.89 C:17 12.46 -11.55 C:20 21.56 -8.93 O 26.48 -10.34 O 11.76 -12.78 C:125 8.07 -9.64 C:22 9.32 -10.34 C:33 14.20 -10.34 C:22 19.11 -10.34 C:29 15.44 -9.64 C:43 17.89 -9.64 C:33 10.54 -9.64 C:30 12.98 -9.64 C:36 20.34 -9.64 C:32 21.56 -11.76 C:24 22.80 -12.46 O 27.70 -12.46 O 11.06 -11.55 O 22.80 -9.64 O 24.02 -10.34 C:132 6.85 -10.34 C:174 26.48 -11.76 C:38 16.67 -10.34 C:43 25.26 -12.46 C:77 11.76 -10.34 C:81 21.56 -10.34 C:81 24.02 -11.76 32 1 -2 2 22 1 3 26 1 4 26 1 5 28 1 29 6 -2 7 30 1 31 8 -2 9 27 2 10 23 1 11 12 1 11 26 2 12 17 1 13 15 1 13 18 1 14 16 1 14 19 1 15 28 1 16 28 1 17 30 1 18 30 1 19 31 1 20 21 1 20 31 1 21 32 1 22 27 1 23 30 1 24 25 1 24 31 1 25 32 1 27 29 1 29 32 1', 'C25H46O6', 442.272, 'C', 'np99_214_3b', 3693, '', '', '1', 47, NULL, NULL),
(14456, 'Sigmosceptrellin E methyl ester', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[H][C@:3]1([C@@H:2]([CH3:20])[C:1](=O)O[CH3:1001])[CH2:4][CH2:5][C@@:6]([CH3:21])([CH2:7][CH2:8][CH:9]=[C:10]([CH3:22])[CH2:11][CH2:12][CH:13]=[C:14]([CH3:23])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:24])[CH3:19])OO1', '[H][C@]1([C@@H](C)C(=O)OC)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)OO1', '[H][C@:81]1([C@@H:43]([CH3:14])[C:174](=O)O[CH3:52])[CH2:24][CH2:32][C@@:80]([CH3:22])([CH2:40][CH2:21][CH:124]=[C:131]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:136]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:135]([CH3:18])[CH3:26])OO1', '30 30 H 24.01 -12.79 C:1001 28.91 -11.77 C:24 6.81 -11.77 C:19 5.57 -9.66 C:23 11.72 -11.77 C:22 16.64 -11.77 C:20 25.25 -13.91 C:21 21.54 -8.96 O 26.48 -10.35 C:17 8.04 -9.66 C:13 12.94 -9.66 C:9 17.86 -9.66 C:16 9.29 -10.35 C:12 14.16 -10.35 C:8 19.08 -10.35 C:15 10.49 -9.66 C:11 15.40 -9.66 C:7 20.31 -9.66 C:5 21.54 -11.77 C:4 22.78 -12.47 O 27.70 -12.47 O 22.78 -9.66 O 24.01 -10.35 C:18 6.81 -10.35 C:14 11.72 -10.35 C:10 16.64 -10.35 C:1 26.48 -11.77 C:2 25.25 -12.47 C:6 21.54 -10.35 C:3 24.01 -11.77 30 1 -2 2 21 1 3 24 1 4 24 1 5 25 1 6 26 1 28 7 -2 29 8 -2 9 27 2 10 13 1 10 24 2 11 14 1 11 25 2 12 15 1 12 26 2 13 16 1 14 17 1 15 18 1 16 25 1 17 26 1 18 29 1 19 20 1 19 29 1 20 30 1 21 27 1 22 23 1 22 29 1 23 30 1 27 28 1 28 30 1', '30 30 H 24.01 -12.79 C 28.91 -11.77 C 6.81 -11.77 C 5.57 -9.66 C 11.72 -11.77 C 16.64 -11.77 C 25.25 -13.91 C 21.54 -8.96 O 26.48 -10.35 C 8.04 -9.66 C 12.94 -9.66 C 17.86 -9.66 C 9.29 -10.35 C 14.16 -10.35 C 19.08 -10.35 C 10.49 -9.66 C 15.40 -9.66 C 20.31 -9.66 C 21.54 -11.77 C 22.78 -12.47 O 27.70 -12.47 O 22.78 -9.66 O 24.01 -10.35 C 6.81 -10.35 C 11.72 -10.35 C 16.64 -10.35 C 26.48 -11.77 C 25.25 -12.47 C 21.54 -10.35 C 24.01 -11.77 30 1 -2 2 21 1 3 24 1 4 24 1 5 25 1 6 26 1 28 7 -2 29 8 -2 9 27 2 10 13 1 10 24 2 11 14 1 11 25 2 12 15 1 12 26 2 13 16 1 14 17 1 15 18 1 16 25 1 17 26 1 18 29 1 19 20 1 19 29 1 20 30 1 21 27 1 22 23 1 22 29 1 23 30 1 27 28 1 28 30 1', '30 30 H 24.01 -12.79 C:52 28.91 -11.77 C:18 6.81 -11.77 C:26 5.57 -9.66 C:16 11.72 -11.77 C:16 16.64 -11.77 C:14 25.25 -13.91 C:22 21.54 -8.96 O 26.48 -10.35 C:124 8.04 -9.66 C:124 12.94 -9.66 C:124 17.86 -9.66 C:27 9.29 -10.35 C:27 14.16 -10.35 C:21 19.08 -10.35 C:40 10.49 -9.66 C:40 15.40 -9.66 C:40 20.31 -9.66 C:32 21.54 -11.77 C:24 22.78 -12.47 O 27.70 -12.47 O 22.78 -9.66 O 24.01 -10.35 C:135 6.81 -10.35 C:136 11.72 -10.35 C:131 16.64 -10.35 C:174 26.48 -11.77 C:43 25.25 -12.47 C:80 21.54 -10.35 C:81 24.01 -11.77 30 1 -2 2 21 1 3 24 1 4 24 1 5 25 1 6 26 1 28 7 -2 29 8 -2 9 27 2 10 13 1 10 24 2 11 14 1 11 25 2 12 15 1 12 26 2 13 16 1 14 17 1 15 18 1 16 25 1 17 26 1 18 29 1 19 20 1 19 29 1 20 30 1 21 27 1 22 23 1 22 29 1 23 30 1 27 28 1 28 30 1', 'C25H42O4', 406.273, 'C', 'np99_214_4', 3693, '', '', '1', 47, NULL, NULL),
(14457, 'Rhopaloic acid A', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:21]=[C:2]([C:1](=O)O)[C@H:3]1[CH2:4][CH2:5][C@H:6]([CH2:7][CH2:8][CH:9]=[C:10]([CH3:23])[CH2:11][CH2:12][CH:13]=[C:14]([CH3:24])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:25])[CH3:19])[CH2:22]O1', 'C=C(C(=O)O)[C@H]1CC[C@H](CCC=C(C)CCC=C(C)CCC=C(C)C)CO1', '[CH2:126]=[C:142]([C:171](=O)O)[C@H:76]1[CH2:32][CH2:30][C@H:35]([CH2:33][CH2:25][CH:124]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:131]([CH3:18])[CH3:26])[CH2:74]O1', '27 27 C:21 25.74 -9.30 C:25 7.54 -11.40 C:19 6.33 -13.50 C:24 12.39 -11.40 C:23 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C:17 8.75 -13.50 C:13 13.60 -13.50 C:9 18.46 -13.50 C:16 9.96 -12.80 C:12 14.81 -12.80 C:8 19.67 -12.80 C:15 11.17 -13.50 C:11 16.02 -13.50 C:7 20.89 -13.50 C:5 23.31 -13.50 C:4 24.52 -12.80 C:22 22.10 -11.40 O 23.31 -10.70 C:18 7.54 -12.80 C:14 12.39 -12.80 C:10 17.24 -12.80 C:1 26.95 -11.40 C:2 25.74 -10.70 C:6 22.10 -12.80 C:3 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 11 1 8 21 2 9 12 1 9 22 2 10 13 1 10 23 2 11 14 1 12 15 1 13 16 1 14 22 1 15 23 1 26 16 -2 17 18 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', '27 27 C 25.74 -9.30 C 7.54 -11.40 C 6.33 -13.50 C 12.39 -11.40 C 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C 8.75 -13.50 C 13.60 -13.50 C 18.46 -13.50 C 9.96 -12.80 C 14.81 -12.80 C 19.67 -12.80 C 11.17 -13.50 C 16.02 -13.50 C 20.89 -13.50 C 23.31 -13.50 C 24.52 -12.80 C 22.10 -11.40 O 23.31 -10.70 C 7.54 -12.80 C 12.39 -12.80 C 17.24 -12.80 C 26.95 -11.40 C 25.74 -10.70 C 22.10 -12.80 C 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 11 1 8 21 2 9 12 1 9 22 2 10 13 1 10 23 2 11 14 1 12 15 1 13 16 1 14 22 1 15 23 1 26 16 -2 17 18 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', '27 27 C:126 25.74 -9.30 C:18 7.54 -11.40 C:26 6.33 -13.50 C:16 12.39 -11.40 C:16 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C:124 8.75 -13.50 C:124 13.60 -13.50 C:124 18.46 -13.50 C:27 9.96 -12.80 C:27 14.81 -12.80 C:25 19.67 -12.80 C:40 11.17 -13.50 C:40 16.02 -13.50 C:33 20.89 -13.50 C:30 23.31 -13.50 C:32 24.52 -12.80 C:74 22.10 -11.40 O 23.31 -10.70 C:131 7.54 -12.80 C:135 12.39 -12.80 C:135 17.24 -12.80 C:171 26.95 -11.40 C:142 25.74 -10.70 C:35 22.10 -12.80 C:76 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 11 1 8 21 2 9 12 1 9 22 2 10 13 1 10 23 2 11 14 1 12 15 1 13 16 1 14 22 1 15 23 1 26 16 -2 17 18 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', 'C24H38O3', 374.255, 'C', 'tt98_15607_1', 3694, '', '', '1', 47, NULL, NULL),
(14458, 'Rhopaloic acid B', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:21]=[C:2]([C:1](=O)O)[C@H:3]1[CH2:4][CH2:5][C@@H:6]([CH2:7][CH2:8][CH:9]=[C:10]([CH3:23])[CH2:11][CH2:12][CH:13]=[C:14]([CH3:24])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:25])[CH2:22]O1', 'C=C(C(=O)O)[C@H]1CC[C@@H](CCC=C(C)CCC=C(C)CCC=C(C)C)CO1', '[CH2:127]=[C:141]([C:170](=O)O)[C@H:76]1[CH2:27][CH2:27][C@@H:33]([CH2:30][CH2:26][CH:124]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:131]([CH3:26])[CH3:18])[CH2:72]O1', '27 27 C:21 25.74 -9.30 C:19 6.33 -13.50 C:25 7.54 -11.40 C:24 12.39 -11.40 C:23 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C:17 8.75 -13.50 C:13 13.60 -13.50 C:9 18.46 -13.50 C:16 9.96 -12.80 C:12 14.81 -12.80 C:8 19.67 -12.80 C:15 11.17 -13.50 C:11 16.02 -13.50 C:7 20.89 -13.50 C:5 23.31 -13.50 C:4 24.52 -12.80 C:22 22.10 -11.40 O 23.31 -10.70 C:18 7.54 -12.80 C:14 12.39 -12.80 C:10 17.24 -12.80 C:1 26.95 -11.40 C:2 25.74 -10.70 C:6 22.10 -12.80 C:3 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 11 1 8 21 2 9 12 1 9 22 2 10 13 1 10 23 2 11 14 1 12 15 1 13 16 1 14 22 1 15 23 1 26 16 -1 17 18 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', '27 27 C 25.74 -9.30 C 6.33 -13.50 C 7.54 -11.40 C 12.39 -11.40 C 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C 8.75 -13.50 C 13.60 -13.50 C 18.46 -13.50 C 9.96 -12.80 C 14.81 -12.80 C 19.67 -12.80 C 11.17 -13.50 C 16.02 -13.50 C 20.89 -13.50 C 23.31 -13.50 C 24.52 -12.80 C 22.10 -11.40 O 23.31 -10.70 C 7.54 -12.80 C 12.39 -12.80 C 17.24 -12.80 C 26.95 -11.40 C 25.74 -10.70 C 22.10 -12.80 C 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 11 1 8 21 2 9 12 1 9 22 2 10 13 1 10 23 2 11 14 1 12 15 1 13 16 1 14 22 1 15 23 1 26 16 -1 17 18 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', '27 27 C:127 25.74 -9.30 C:26 6.33 -13.50 C:18 7.54 -11.40 C:16 12.39 -11.40 C:16 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C:124 8.75 -13.50 C:124 13.60 -13.50 C:124 18.46 -13.50 C:27 9.96 -12.80 C:27 14.81 -12.80 C:26 19.67 -12.80 C:40 11.17 -13.50 C:40 16.02 -13.50 C:30 20.89 -13.50 C:27 23.31 -13.50 C:27 24.52 -12.80 C:72 22.10 -11.40 O 23.31 -10.70 C:131 7.54 -12.80 C:135 12.39 -12.80 C:135 17.24 -12.80 C:170 26.95 -11.40 C:141 25.74 -10.70 C:33 22.10 -12.80 C:76 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 11 1 8 21 2 9 12 1 9 22 2 10 13 1 10 23 2 11 14 1 12 15 1 13 16 1 14 22 1 15 23 1 26 16 -1 17 18 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', 'C24H38O3', 374.255, 'C', 'tt98_15607_2', 3694, '', '', '1', 47, NULL, NULL),
(14459, 'Rhopaloic acid C', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:21]=[C:2]([C:1](=O)O)[C@H:3]1[CH2:4][CH:5]=[C:6]([CH2:7][CH2:8][CH:9]=[C:10]([CH3:23])[CH2:11][CH2:12][CH:13]=[C:14]([CH3:24])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:25])[CH3:19])[CH2:22]O1', 'C=C(C(=O)O)[C@H]1CC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1', '[CH2:127]=[C:140]([C:168](=O)O)[C@H:72]1[CH2:31][CH:118]=[C:136]([CH2:33][CH2:26][CH:124]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:136]([CH3:16])[CH2:40][CH2:27][CH:124]=[C:131]([CH3:18])[CH3:26])[CH2:69]O1', '27 27 C:21 25.74 -9.30 C:25 7.54 -11.40 C:19 6.33 -13.50 C:24 12.39 -11.40 C:23 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C:17 8.75 -13.50 C:13 13.60 -13.50 C:9 18.46 -13.50 C:5 23.31 -13.50 C:16 9.96 -12.80 C:12 14.81 -12.80 C:8 19.67 -12.80 C:15 11.17 -13.50 C:11 16.02 -13.50 C:7 20.89 -13.50 C:4 24.52 -12.80 C:22 22.10 -11.40 O 23.31 -10.70 C:18 7.54 -12.80 C:14 12.39 -12.80 C:10 17.24 -12.80 C:1 26.95 -11.40 C:2 25.74 -10.70 C:6 22.10 -12.80 C:3 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 12 1 8 21 2 9 13 1 9 22 2 10 14 1 10 23 2 11 18 1 11 26 2 12 15 1 13 16 1 14 17 1 15 22 1 16 23 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', '27 27 C 25.74 -9.30 C 7.54 -11.40 C 6.33 -13.50 C 12.39 -11.40 C 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C 8.75 -13.50 C 13.60 -13.50 C 18.46 -13.50 C 23.31 -13.50 C 9.96 -12.80 C 14.81 -12.80 C 19.67 -12.80 C 11.17 -13.50 C 16.02 -13.50 C 20.89 -13.50 C 24.52 -12.80 C 22.10 -11.40 O 23.31 -10.70 C 7.54 -12.80 C 12.39 -12.80 C 17.24 -12.80 C 26.95 -11.40 C 25.74 -10.70 C 22.10 -12.80 C 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 12 1 8 21 2 9 13 1 9 22 2 10 14 1 10 23 2 11 18 1 11 26 2 12 15 1 13 16 1 14 17 1 15 22 1 16 23 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', '27 27 C:127 25.74 -9.30 C:18 7.54 -11.40 C:26 6.33 -13.50 C:16 12.39 -11.40 C:16 17.24 -11.40 O 26.95 -12.80 O 28.16 -10.70 C:124 8.75 -13.50 C:124 13.60 -13.50 C:124 18.46 -13.50 C:118 23.31 -13.50 C:27 9.96 -12.80 C:27 14.81 -12.80 C:26 19.67 -12.80 C:40 11.17 -13.50 C:40 16.02 -13.50 C:33 20.89 -13.50 C:31 24.52 -12.80 C:69 22.10 -11.40 O 23.31 -10.70 C:131 7.54 -12.80 C:136 12.39 -12.80 C:135 17.24 -12.80 C:168 26.95 -11.40 C:140 25.74 -10.70 C:136 22.10 -12.80 C:72 24.52 -11.40 1 25 2 2 21 1 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 12 1 8 21 2 9 13 1 9 22 2 10 14 1 10 23 2 11 18 1 11 26 2 12 15 1 13 16 1 14 17 1 15 22 1 16 23 1 17 26 1 18 27 1 19 20 1 19 26 1 20 27 1 24 25 1 27 25 -1', 'C24H36O3', 372.255, 'C', 'tt98_15607_3', 3694, '', '', '1', 47, NULL, NULL),
(14460, 'Barangcadoic acid A', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:21]=[C:2]([C:1](=O)O)[C@H:3]1[CH2:4][CH2:5][C@H:6]([CH2:7][CH2:8][CH2:9][C:10]([CH3:23])=[CH:11][CH2:12][CH2:13][C:14]([CH3:24])=[CH:15][CH2:16][CH2:17][C:18]([CH3:25])=[CH:19][CH2:20]O)[CH2:22]O1', 'C=C(C(=O)O)[C@H]1CC[C@H](CCCC(C)=CCCC(C)=CCCC(C)=CCO)CO1', '[CH2:127]=[C:141]([C:170](=O)O)[C@H:76]1[CH2:32][CH2:30][C@H:36]([CH2:32][CH2:25][CH2:40][C:135]([CH3:16])=[CH:124][CH2:26][CH2:40][C:135]([CH3:16])=[CH:124][CH2:27][CH2:40][C:140]([CH3:16])=[CH:123][CH2:59]O)[CH2:74]O1', '29 29 C:21 26.96 -9.30 C:25 8.77 -11.40 C:24 13.62 -11.40 C:23 18.47 -11.40 O 28.17 -12.80 O 5.13 -13.50 O 29.38 -10.70 C:19 7.56 -13.50 C:15 12.40 -13.50 C:11 17.25 -13.50 C:20 6.34 -12.80 C:16 11.19 -12.80 C:12 16.04 -12.80 C:8 20.90 -12.80 C:17 9.98 -13.50 C:13 14.83 -13.50 C:9 19.69 -13.50 C:7 22.12 -13.50 C:5 24.54 -13.50 C:4 25.75 -12.80 C:22 23.33 -11.40 O 24.54 -10.70 C:18 8.77 -12.80 C:14 13.62 -12.80 C:10 18.47 -12.80 C:1 28.17 -11.40 C:2 26.96 -10.70 C:6 23.33 -12.80 C:3 25.75 -11.40 1 27 2 2 23 1 3 24 1 4 25 1 5 26 2 6 11 1 7 26 1 8 11 1 8 23 2 9 12 1 9 24 2 10 13 1 10 25 2 12 15 1 13 16 1 14 17 1 14 18 1 15 23 1 16 24 1 17 25 1 28 18 -2 19 20 1 19 28 1 20 29 1 21 22 1 21 28 1 22 29 1 26 27 1 29 27 -1', '29 29 C 26.96 -9.30 C 8.77 -11.40 C 13.62 -11.40 C 18.47 -11.40 O 28.17 -12.80 O 5.13 -13.50 O 29.38 -10.70 C 7.56 -13.50 C 12.40 -13.50 C 17.25 -13.50 C 6.34 -12.80 C 11.19 -12.80 C 16.04 -12.80 C 20.90 -12.80 C 9.98 -13.50 C 14.83 -13.50 C 19.69 -13.50 C 22.12 -13.50 C 24.54 -13.50 C 25.75 -12.80 C 23.33 -11.40 O 24.54 -10.70 C 8.77 -12.80 C 13.62 -12.80 C 18.47 -12.80 C 28.17 -11.40 C 26.96 -10.70 C 23.33 -12.80 C 25.75 -11.40 1 27 2 2 23 1 3 24 1 4 25 1 5 26 2 6 11 1 7 26 1 8 11 1 8 23 2 9 12 1 9 24 2 10 13 1 10 25 2 12 15 1 13 16 1 14 17 1 14 18 1 15 23 1 16 24 1 17 25 1 28 18 -2 19 20 1 19 28 1 20 29 1 21 22 1 21 28 1 22 29 1 26 27 1 29 27 -1', '29 29 C:127 26.96 -9.30 C:16 8.77 -11.40 C:16 13.62 -11.40 C:16 18.47 -11.40 O 28.17 -12.80 O 5.13 -13.50 O 29.38 -10.70 C:123 7.56 -13.50 C:124 12.40 -13.50 C:124 17.25 -13.50 C:59 6.34 -12.80 C:27 11.19 -12.80 C:26 16.04 -12.80 C:25 20.90 -12.80 C:40 9.98 -13.50 C:40 14.83 -13.50 C:40 19.69 -13.50 C:32 22.12 -13.50 C:30 24.54 -13.50 C:32 25.75 -12.80 C:74 23.33 -11.40 O 24.54 -10.70 C:140 8.77 -12.80 C:135 13.62 -12.80 C:135 18.47 -12.80 C:170 28.17 -11.40 C:141 26.96 -10.70 C:36 23.33 -12.80 C:76 25.75 -11.40 1 27 2 2 23 1 3 24 1 4 25 1 5 26 2 6 11 1 7 26 1 8 11 1 8 23 2 9 12 1 9 24 2 10 13 1 10 25 2 12 15 1 13 16 1 14 17 1 14 18 1 15 23 1 16 24 1 17 25 1 28 18 -2 19 20 1 19 28 1 20 29 1 21 22 1 21 28 1 22 29 1 26 27 1 29 27 -1', 'C25H40O4', 404.265, 'C', 'ttl02_4801_1', 3695, '', '', '1', 47, NULL, NULL),
(14461, 'Rhopaloic acid D', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:25]=[C:18]([CH3:19])[CH:17](O)[CH2:16][CH2:15][C:14]([CH3:24])=[CH:13][CH2:12][CH2:11][C:10]([CH3:23])=[CH:9][CH2:8][CH2:7][C@H:6]1[CH2:5][CH2:4][C@H:3]([C:2](=[CH2:21])[C:1](=O)O)O[CH2:22]1', 'C=C(C)C(O)CCC(C)=CCCC(C)=CCC[C@H]1CC[C@H](C(=C)C(=O)O)OC1', '[CH2:111]=[C:148]([CH3:18])[CH:75](O)[CH2:9999][CH2:9999][C:135]([CH3:16])=[CH:125][CH2:9999][CH2:9999][C:135]([CH3:16])=[CH:125][CH2:9999][CH2:33][C@H:36]1[CH2:30][CH2:32][C@H:76]([C:142](=[CH2:126])[C:168](=O)O)O[CH2:74]1', '28 28 C:25 7.54 -10.73 C:21 25.73 -8.63 C:19 6.33 -12.83 C:23 17.24 -10.73 C:24 12.39 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 8.75 -14.23 C:13 13.60 -12.83 C:9 18.46 -12.83 C:12 14.81 -12.13 C:8 19.67 -12.13 C:11 16.02 -12.83 C:15 11.17 -12.83 C:7 20.89 -12.83 C:16 9.96 -12.13 C:5 23.31 -12.83 C:4 24.52 -12.13 C:22 22.10 -10.73 O 23.31 -10.03 C:18 7.54 -12.13 C:10 17.24 -12.13 C:14 12.39 -12.13 C:1 26.95 -10.73 C:2 25.73 -10.03 C:17 8.75 -12.83 C:6 22.10 -12.13 C:3 24.52 -10.73 1 21 2 2 25 2 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 26 1 9 11 1 9 23 2 10 12 1 10 22 2 11 13 1 12 15 1 13 22 1 14 16 1 14 23 1 27 15 -2 16 26 1 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 21 26 1 24 25 1 28 25 -1', '28 28 C 7.54 -10.73 C 25.73 -8.63 C 6.33 -12.83 C 17.24 -10.73 C 12.39 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 8.75 -14.23 C 13.60 -12.83 C 18.46 -12.83 C 14.81 -12.13 C 19.67 -12.13 C 16.02 -12.83 C 11.17 -12.83 C 20.89 -12.83 C 9.96 -12.13 C 23.31 -12.83 C 24.52 -12.13 C 22.10 -10.73 O 23.31 -10.03 C 7.54 -12.13 C 17.24 -12.13 C 12.39 -12.13 C 26.95 -10.73 C 25.73 -10.03 C 8.75 -12.83 C 22.10 -12.13 C 24.52 -10.73 1 21 2 2 25 2 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 26 1 9 11 1 9 23 2 10 12 1 10 22 2 11 13 1 12 15 1 13 22 1 14 16 1 14 23 1 27 15 -2 16 26 1 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 21 26 1 24 25 1 28 25 -1', '28 28 C:111 7.54 -10.73 C:126 25.73 -8.63 C:18 6.33 -12.83 C:16 17.24 -10.73 C:16 12.39 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 8.75 -14.23 C:125 13.60 -12.83 C:125 18.46 -12.83 C 14.81 -12.13 C 19.67 -12.13 C 16.02 -12.83 C 11.17 -12.83 C:33 20.89 -12.83 C 9.96 -12.13 C:30 23.31 -12.83 C:32 24.52 -12.13 C:74 22.10 -10.73 O 23.31 -10.03 C:148 7.54 -12.13 C:135 17.24 -12.13 C:135 12.39 -12.13 C:168 26.95 -10.73 C:142 25.73 -10.03 C:75 8.75 -12.83 C:36 22.10 -12.13 C:76 24.52 -10.73 1 21 2 2 25 2 3 21 1 4 22 1 5 23 1 6 24 2 7 24 1 8 26 1 9 11 1 9 23 2 10 12 1 10 22 2 11 13 1 12 15 1 13 22 1 14 16 1 14 23 1 27 15 -2 16 26 1 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 21 26 1 24 25 1 28 25 -1', 'C24H38O4', 390.254, 'C', 'ttl02_4801_5', 3695, '', '', '1', 47, NULL, NULL),
(14462, 'Rhopaloic acid E', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:24]=[C:14]([CH2:15][CH2:16][CH:17]=[C:18]([CH3:25])[CH3:19])[CH:13](O)[CH2:12][CH2:11][C:10]([CH3:23])=[CH:9][CH2:8][CH2:7][C@H:6]1[CH2:5][CH2:4][C@H:3]([C:2](=[CH2:21])[C:1](=O)O)O[CH2:22]1', 'C=C(CCC=C(C)C)C(O)CCC(C)=CCC[C@H]1CC[C@H](C(=C)C(=O)O)OC1', '[CH2:109]=[C:152]([CH2:32][CH2:9999][CH:125]=[C:132]([CH3:18])[CH3:26])[CH:75](O)[CH2:36][CH2:40][C:135]([CH3:16])=[CH:125][CH2:9999][CH2:33][C@H:36]1[CH2:30][CH2:32][C@H:76]([C:142](=[CH2:9999])[C:168](=O)O)O[CH2:74]1', '28 28 C:24 12.39 -10.73 C:21 25.73 -8.63 C:25 7.54 -10.73 C:19 6.33 -12.83 C:23 17.24 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 13.60 -14.23 C:17 8.75 -12.83 C:9 18.46 -12.83 C:16 9.96 -12.13 C:8 19.67 -12.13 C:15 11.17 -12.83 C:11 16.02 -12.83 C:7 20.89 -12.83 C:12 14.81 -12.13 C:5 23.31 -12.83 C:4 24.52 -12.13 C:22 22.10 -10.73 O 23.31 -10.03 C:18 7.54 -12.13 C:10 17.24 -12.13 C:14 12.39 -12.13 C:1 26.95 -10.73 C:2 25.73 -10.03 C:13 13.60 -12.83 C:6 22.10 -12.13 C:3 24.52 -10.73 1 23 2 2 25 2 3 21 1 4 21 1 5 22 1 6 24 2 7 24 1 8 26 1 9 11 1 9 21 2 10 12 1 10 22 2 11 13 1 12 15 1 13 23 1 14 16 1 14 22 1 27 15 -2 16 26 1 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 23 26 1 24 25 1 28 25 -1', '28 28 C 12.39 -10.73 C 25.73 -8.63 C 7.54 -10.73 C 6.33 -12.83 C 17.24 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 13.60 -14.23 C 8.75 -12.83 C 18.46 -12.83 C 9.96 -12.13 C 19.67 -12.13 C 11.17 -12.83 C 16.02 -12.83 C 20.89 -12.83 C 14.81 -12.13 C 23.31 -12.83 C 24.52 -12.13 C 22.10 -10.73 O 23.31 -10.03 C 7.54 -12.13 C 17.24 -12.13 C 12.39 -12.13 C 26.95 -10.73 C 25.73 -10.03 C 13.60 -12.83 C 22.10 -12.13 C 24.52 -10.73 1 23 2 2 25 2 3 21 1 4 21 1 5 22 1 6 24 2 7 24 1 8 26 1 9 11 1 9 21 2 10 12 1 10 22 2 11 13 1 12 15 1 13 23 1 14 16 1 14 22 1 27 15 -2 16 26 1 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 23 26 1 24 25 1 28 25 -1', '28 28 C:109 12.39 -10.73 C 25.73 -8.63 C:18 7.54 -10.73 C:26 6.33 -12.83 C:16 17.24 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 13.60 -14.23 C:125 8.75 -12.83 C:125 18.46 -12.83 C 9.96 -12.13 C 19.67 -12.13 C:32 11.17 -12.83 C:40 16.02 -12.83 C:33 20.89 -12.83 C:36 14.81 -12.13 C:30 23.31 -12.83 C:32 24.52 -12.13 C:74 22.10 -10.73 O 23.31 -10.03 C:132 7.54 -12.13 C:135 17.24 -12.13 C:152 12.39 -12.13 C:168 26.95 -10.73 C:142 25.73 -10.03 C:75 13.60 -12.83 C:36 22.10 -12.13 C:76 24.52 -10.73 1 23 2 2 25 2 3 21 1 4 21 1 5 22 1 6 24 2 7 24 1 8 26 1 9 11 1 9 21 2 10 12 1 10 22 2 11 13 1 12 15 1 13 23 1 14 16 1 14 22 1 27 15 -2 16 26 1 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 23 26 1 24 25 1 28 25 -1', 'C24H38O4', 390.254, 'C', 'ttl02_4801_6', 3695, '', '', '1', 47, NULL, NULL),
(14463, 'Rhopaloic acid F', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:23]=[C:10]([CH2:11][CH2:12][CH:13]=[C:14]([CH3:24])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:25])[CH:9](O)[CH2:8][CH2:7][C@H:6]1[CH2:5][CH2:4][C@H:3]([C:2](=[CH2:21])[C:1](=O)O)O[CH2:22]1', 'C=C(CCC=C(C)CCC=C(C)C)C(O)CC[C@H]1CC[C@H](C(=C)C(=O)O)OC1', '[CH2:109]=[C:9999]([CH2:9999][CH2:9999][CH:124]=[C:136]([CH3:16])[CH2:40][CH2:27][CH:125]=[C:131]([CH3:26])[CH3:18])[CH:75](O)[CH2:30][CH2:9999][C@H:36]1[CH2:9999][CH2:33][C@H:76]([C:9999](=[CH2:9999])[C:9999](=O)O)O[CH2:74]1', '28 28 C:23 17.24 -10.73 C:21 25.73 -8.63 C:19 6.33 -12.83 C:25 7.54 -10.73 C:24 12.39 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 18.47 -14.23 C:17 8.75 -12.83 C:13 13.60 -12.83 C:16 9.96 -12.13 C:12 14.81 -12.13 C:15 11.17 -12.83 C:11 16.02 -12.83 C:8 19.67 -12.13 C:7 20.89 -12.83 C:5 23.31 -12.83 C:4 24.52 -12.13 C:22 22.10 -10.73 O 23.31 -10.03 C:18 7.54 -12.13 C:14 12.39 -12.13 C:10 17.24 -12.13 C:1 26.95 -10.73 C:2 25.73 -10.03 C:9 18.47 -12.83 C:6 22.10 -12.13 C:3 24.52 -10.73 1 23 2 2 25 2 3 21 1 4 21 1 5 22 1 6 24 2 7 24 1 8 26 1 9 11 1 9 21 2 10 12 1 10 22 2 11 13 1 12 14 1 13 22 1 14 23 1 15 16 1 15 26 1 27 16 -2 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 23 26 1 24 25 1 28 25 -1', '28 28 C 17.24 -10.73 C 25.73 -8.63 C 6.33 -12.83 C 7.54 -10.73 C 12.39 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 18.47 -14.23 C 8.75 -12.83 C 13.60 -12.83 C 9.96 -12.13 C 14.81 -12.13 C 11.17 -12.83 C 16.02 -12.83 C 19.67 -12.13 C 20.89 -12.83 C 23.31 -12.83 C 24.52 -12.13 C 22.10 -10.73 O 23.31 -10.03 C 7.54 -12.13 C 12.39 -12.13 C 17.24 -12.13 C 26.95 -10.73 C 25.73 -10.03 C 18.47 -12.83 C 22.10 -12.13 C 24.52 -10.73 1 23 2 2 25 2 3 21 1 4 21 1 5 22 1 6 24 2 7 24 1 8 26 1 9 11 1 9 21 2 10 12 1 10 22 2 11 13 1 12 14 1 13 22 1 14 23 1 15 16 1 15 26 1 27 16 -2 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 23 26 1 24 25 1 28 25 -1', '28 28 C:109 17.24 -10.73 C 25.73 -8.63 C:26 6.33 -12.83 C:18 7.54 -10.73 C:16 12.39 -10.73 O 26.95 -12.13 O 28.16 -10.03 O 18.47 -14.23 C:125 8.75 -12.83 C:124 13.60 -12.83 C:27 9.96 -12.13 C 14.81 -12.13 C:40 11.17 -12.83 C 16.02 -12.83 C:30 19.67 -12.13 C 20.89 -12.83 C 23.31 -12.83 C:33 24.52 -12.13 C:74 22.10 -10.73 O 23.31 -10.03 C:131 7.54 -12.13 C:136 12.39 -12.13 C 17.24 -12.13 C 26.95 -10.73 C 25.73 -10.03 C:75 18.47 -12.83 C:36 22.10 -12.13 C:76 24.52 -10.73 1 23 2 2 25 2 3 21 1 4 21 1 5 22 1 6 24 2 7 24 1 8 26 1 9 11 1 9 21 2 10 12 1 10 22 2 11 13 1 12 14 1 13 22 1 14 23 1 15 16 1 15 26 1 27 16 -2 17 18 1 17 27 1 18 28 1 19 20 1 19 27 1 20 28 1 23 26 1 24 25 1 28 25 -1', 'C24H38O4', 390.254, 'C', 'ttl02_4801_7', 3695, '', '', '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
(14464, 'Rhopaloic acid G', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH2:21]=[C:2]([C:1](=O)O)[C@H:3]1[CH2:4][CH2:5][C@H:6]([CH2:7][CH2:8][CH:9](O)[C:10]([CH3:23])(O)[CH2:11][CH2:12][CH:13]=[C:14]([CH3:24])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:25])[CH3:19])[CH2:22]O1', 'C=C(C(=O)O)[C@H]1CC[C@H](CCC(O)C(C)(O)CCC=C(C)CCC=C(C)C)CO1', '[CH2:126]=[C:142]([C:168](=O)O)[C@H:76]1[CH2:32][CH2:9999][C@H:9999]([CH2:30][CH2:28][CH:79](O)[C:74]([CH3:24])(O)[CH2:36][CH2:9999][CH:125]=[C:135]([CH3:16])[CH2:40][CH2:27][CH:125]=[C:131]([CH3:18])[CH3:26])[CH2:74]O1', '29 29 C:21 25.73 -8.63 C:25 7.54 -10.73 C:19 6.33 -12.83 C:24 12.39 -10.73 C:23 17.93 -10.92 O 26.95 -12.13 O 28.16 -10.03 O 18.47 -14.23 O 16.53 -10.92 C:17 8.75 -12.83 C:13 13.60 -12.83 C:16 9.96 -12.13 C:12 14.81 -12.13 C:15 11.17 -12.83 C:7 20.89 -12.83 C:5 23.31 -12.83 C:8 19.67 -12.13 C:4 24.52 -12.13 C:11 16.02 -12.83 C:22 22.10 -10.73 O 23.31 -10.03 C:18 7.54 -12.13 C:14 12.39 -12.13 C:1 26.95 -10.73 C:2 25.73 -10.03 C:6 22.10 -12.13 C:9 18.47 -12.83 C:3 24.52 -10.73 C:10 17.24 -12.13 1 25 2 2 22 1 3 22 1 4 23 1 5 29 1 6 24 2 7 24 1 8 27 1 9 29 1 10 12 1 10 22 2 11 13 1 11 23 2 12 14 1 13 19 1 14 23 1 15 17 1 26 15 -2 16 18 1 16 26 1 17 27 1 18 28 1 19 29 1 20 21 1 20 26 1 21 28 1 24 25 1 28 25 -1 27 29 1', '29 29 C 25.73 -8.63 C 7.54 -10.73 C 6.33 -12.83 C 12.39 -10.73 C 17.93 -10.92 O 26.95 -12.13 O 28.16 -10.03 O 18.47 -14.23 O 16.53 -10.92 C 8.75 -12.83 C 13.60 -12.83 C 9.96 -12.13 C 14.81 -12.13 C 11.17 -12.83 C 20.89 -12.83 C 23.31 -12.83 C 19.67 -12.13 C 24.52 -12.13 C 16.02 -12.83 C 22.10 -10.73 O 23.31 -10.03 C 7.54 -12.13 C 12.39 -12.13 C 26.95 -10.73 C 25.73 -10.03 C 22.10 -12.13 C 18.47 -12.83 C 24.52 -10.73 C 17.24 -12.13 1 25 2 2 22 1 3 22 1 4 23 1 5 29 1 6 24 2 7 24 1 8 27 1 9 29 1 10 12 1 10 22 2 11 13 1 11 23 2 12 14 1 13 19 1 14 23 1 15 17 1 26 15 -2 16 18 1 16 26 1 17 27 1 18 28 1 19 29 1 20 21 1 20 26 1 21 28 1 24 25 1 28 25 -1 27 29 1', '29 29 C:126 25.73 -8.63 C:18 7.54 -10.73 C:26 6.33 -12.83 C:16 12.39 -10.73 C:24 17.93 -10.92 O 26.95 -12.13 O 28.16 -10.03 O 18.47 -14.23 O 16.53 -10.92 C:125 8.75 -12.83 C:125 13.60 -12.83 C:27 9.96 -12.13 C 14.81 -12.13 C:40 11.17 -12.83 C:30 20.89 -12.83 C 23.31 -12.83 C:28 19.67 -12.13 C:32 24.52 -12.13 C:36 16.02 -12.83 C:74 22.10 -10.73 O 23.31 -10.03 C:131 7.54 -12.13 C:135 12.39 -12.13 C:168 26.95 -10.73 C:142 25.73 -10.03 C 22.10 -12.13 C:79 18.47 -12.83 C:76 24.52 -10.73 C:74 17.24 -12.13 1 25 2 2 22 1 3 22 1 4 23 1 5 29 1 6 24 2 7 24 1 8 27 1 9 29 1 10 12 1 10 22 2 11 13 1 11 23 2 12 14 1 13 19 1 14 23 1 15 17 1 26 15 -2 16 18 1 16 26 1 17 27 1 18 28 1 19 29 1 20 21 1 20 26 1 21 28 1 24 25 1 28 25 -1 27 29 1', 'C24H40O5', 408.254, 'C', 'ttl02_4801_8', 3695, '', '', '1', 47, NULL, NULL),
(14465, '', '18-O-(Z)-p-Coumaroylbeyer-15-ene-18-ol', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]15[CH:15]=[CH:16][C@:13]([CH3:17])([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:109](=O)[CH:108]=[CH:107][c:101]4[cH:106][cH:105][c:104](O)[cH:103][cH:102]4)[CH2:14]5', '[H][C@@]23CC[C@]15C=C[C@](C)(CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)COC(=O)C=Cc4ccc(O)cc4)C5', '[H][C@@:50]23[CH2:20][CH2:37][C@:49]15[CH:135]=[CH:136][C@:44]([CH3:25])([CH2:33][CH2:20][C@:53]1([H])[C@@:37]2([CH3:16])[CH2:39][CH2:18][CH2:36][C@@:37]3([CH3:18])[CH2:73]O[C:167](=O)[CH:117]=[CH:143][c:128]4[cH:133][cH:115][c:157](O)[cH:115][cH:133]4)[CH2:60]5', '34 38 H 15.35 -11.31 H 16.57 -9.19 C:17 19.02 -5.37 C:19 13.09 -11.99 C:20 15.35 -7.50 O 16.99 -14.12 O 21.64 -15.52 C:108 15.23 -15.78 C:107 16.19 -16.80 C:16 20.17 -7.78 C:15 19.37 -9.19 C:105 19.87 -17.18 C:103 19.32 -14.82 C:106 18.51 -17.50 C:102 17.96 -15.14 C:2 12.90 -8.91 C:3 12.90 -10.30 C:1 14.10 -8.20 C:12 17.79 -6.07 C:11 16.57 -6.78 C:6 16.57 -11.04 C:7 17.79 -10.30 C:18 15.07 -12.08 C:14 19.02 -8.20 O 14.67 -13.42 C:109 15.63 -14.44 C:104 20.28 -15.84 C:101 17.55 -16.48 C:13 19.02 -6.78 C:4 14.10 -11.04 C:5 15.35 -10.30 C:9 16.57 -8.20 C:10 15.35 -8.91 C:8 17.79 -8.91 31 1 -2 32 2 -2 3 29 1 30 4 -1 33 5 -1 6 26 2 7 27 1 8 9 2 8 26 1 9 28 1 10 11 2 29 10 -1 34 11 -1 12 14 1 12 27 2 13 15 2 13 27 1 14 28 2 15 28 1 16 17 1 16 18 1 17 30 1 18 33 1 19 20 1 19 29 1 20 32 1 21 22 1 21 31 1 22 34 1 23 25 1 30 23 -2 24 29 1 24 34 1 25 26 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 15.35 -11.31 H 16.57 -9.19 C 19.02 -5.37 C 13.09 -11.99 C 15.35 -7.50 O 16.99 -14.12 O 21.64 -15.52 C 15.23 -15.78 C 16.19 -16.80 C 20.17 -7.78 C 19.37 -9.19 C 19.87 -17.18 C 19.32 -14.82 C 18.51 -17.50 C 17.96 -15.14 C 12.90 -8.91 C 12.90 -10.30 C 14.10 -8.20 C 17.79 -6.07 C 16.57 -6.78 C 16.57 -11.04 C 17.79 -10.30 C 15.07 -12.08 C 19.02 -8.20 O 14.67 -13.42 C 15.63 -14.44 C 20.28 -15.84 C 17.55 -16.48 C 19.02 -6.78 C 14.10 -11.04 C 15.35 -10.30 C 16.57 -8.20 C 15.35 -8.91 C 17.79 -8.91 31 1 -2 32 2 -2 3 29 1 30 4 -1 33 5 -1 6 26 2 7 27 1 8 9 2 8 26 1 9 28 1 10 11 2 29 10 -1 34 11 -1 12 14 1 12 27 2 13 15 2 13 27 1 14 28 2 15 28 1 16 17 1 16 18 1 17 30 1 18 33 1 19 20 1 19 29 1 20 32 1 21 22 1 21 31 1 22 34 1 23 25 1 30 23 -2 24 29 1 24 34 1 25 26 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 15.35 -11.31 H 16.57 -9.19 C:25 19.02 -5.37 C:18 13.09 -11.99 C:16 15.35 -7.50 O 16.99 -14.12 O 21.64 -15.52 C:117 15.23 -15.78 C:143 16.19 -16.80 C:136 20.17 -7.78 C:135 19.37 -9.19 C:115 19.87 -17.18 C:115 19.32 -14.82 C:133 18.51 -17.50 C:133 17.96 -15.14 C:18 12.90 -8.91 C:36 12.90 -10.30 C:39 14.10 -8.20 C:33 17.79 -6.07 C:20 16.57 -6.78 C:20 16.57 -11.04 C:37 17.79 -10.30 C:73 15.07 -12.08 C:60 19.02 -8.20 O 14.67 -13.42 C:167 15.63 -14.44 C:157 20.28 -15.84 C:128 17.55 -16.48 C:44 19.02 -6.78 C:37 14.10 -11.04 C:50 15.35 -10.30 C:53 16.57 -8.20 C:37 15.35 -8.91 C:49 17.79 -8.91 31 1 -2 32 2 -2 3 29 1 30 4 -1 33 5 -1 6 26 2 7 27 1 8 9 2 8 26 1 9 28 1 10 11 2 29 10 -1 34 11 -1 12 14 1 12 27 2 13 15 2 13 27 1 14 28 2 15 28 1 16 17 1 16 18 1 17 30 1 18 33 1 19 20 1 19 29 1 20 32 1 21 22 1 21 31 1 22 34 1 23 25 1 30 23 -2 24 29 1 24 34 1 25 26 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C29H38O3', 434.324, 'C', 'cpb08_1030_1', 3696, '', '', '1', 47, NULL, NULL),
(14466, '', '18-O-(E)-p-Coumaroylbeyer-15-ene-18-ol', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]15[CH:15]=[CH:16][C@:13]([CH3:17])([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:109](=O)[CH:108]=[CH:107][c:101]4[cH:106][cH:105][c:104](O)[cH:103][cH:102]4)[CH2:14]5', '[H][C@@]23CC[C@]15C=C[C@](C)(CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)COC(=O)C=Cc4ccc(O)cc4)C5', '[H][C@@:50]23[CH2:20][CH2:37][C@:49]15[CH:135]=[CH:136][C@:44]([CH3:25])([CH2:33][CH2:20][C@:53]1([H])[C@@:37]2([CH3:16])[CH2:39][CH2:18][CH2:36][C@@:37]3([CH3:18])[CH2:73]O[C:168](=O)[CH:116]=[CH:144][c:127]4[cH:130][cH:116][c:158](O)[cH:116][cH:130]4)[CH2:61]5', '34 38 H 16.08 -8.96 H 17.30 -6.84 C:17 19.75 -3.02 C:19 13.82 -9.64 C:20 16.08 -5.15 O 17.72 -11.77 O 15.31 -19.81 C:108 15.96 -13.43 C:107 16.92 -14.45 C:16 20.90 -5.43 C:15 20.10 -6.84 C:105 14.75 -17.45 C:103 17.07 -18.15 C:106 15.15 -16.11 C:102 17.47 -16.81 C:2 13.63 -6.56 C:3 13.63 -7.95 C:1 14.83 -5.85 C:12 18.52 -3.72 C:11 17.30 -4.43 C:6 17.30 -8.69 C:7 18.52 -7.95 C:18 15.80 -9.73 C:14 19.75 -5.85 O 15.40 -11.07 C:109 16.36 -12.09 C:104 15.71 -18.47 C:101 16.51 -15.79 C:13 19.75 -4.43 C:4 14.83 -8.69 C:5 16.08 -7.95 C:9 17.30 -5.85 C:10 16.08 -6.56 C:8 18.52 -6.56 31 1 -2 32 2 -2 3 29 1 30 4 -1 33 5 -1 6 26 2 7 27 1 8 9 2 8 26 1 9 28 1 10 11 2 29 10 -1 34 11 -1 12 14 1 12 27 2 13 15 2 13 27 1 14 28 2 15 28 1 16 17 1 16 18 1 17 30 1 18 33 1 19 20 1 19 29 1 20 32 1 21 22 1 21 31 1 22 34 1 23 25 1 30 23 -2 24 29 1 24 34 1 25 26 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 16.08 -8.96 H 17.30 -6.84 C 19.75 -3.02 C 13.82 -9.64 C 16.08 -5.15 O 17.72 -11.77 O 15.31 -19.81 C 15.96 -13.43 C 16.92 -14.45 C 20.90 -5.43 C 20.10 -6.84 C 14.75 -17.45 C 17.07 -18.15 C 15.15 -16.11 C 17.47 -16.81 C 13.63 -6.56 C 13.63 -7.95 C 14.83 -5.85 C 18.52 -3.72 C 17.30 -4.43 C 17.30 -8.69 C 18.52 -7.95 C 15.80 -9.73 C 19.75 -5.85 O 15.40 -11.07 C 16.36 -12.09 C 15.71 -18.47 C 16.51 -15.79 C 19.75 -4.43 C 14.83 -8.69 C 16.08 -7.95 C 17.30 -5.85 C 16.08 -6.56 C 18.52 -6.56 31 1 -2 32 2 -2 3 29 1 30 4 -1 33 5 -1 6 26 2 7 27 1 8 9 2 8 26 1 9 28 1 10 11 2 29 10 -1 34 11 -1 12 14 1 12 27 2 13 15 2 13 27 1 14 28 2 15 28 1 16 17 1 16 18 1 17 30 1 18 33 1 19 20 1 19 29 1 20 32 1 21 22 1 21 31 1 22 34 1 23 25 1 30 23 -2 24 29 1 24 34 1 25 26 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 16.08 -8.96 H 17.30 -6.84 C:25 19.75 -3.02 C:18 13.82 -9.64 C:16 16.08 -5.15 O 17.72 -11.77 O 15.31 -19.81 C:116 15.96 -13.43 C:144 16.92 -14.45 C:136 20.90 -5.43 C:135 20.10 -6.84 C:116 14.75 -17.45 C:116 17.07 -18.15 C:130 15.15 -16.11 C:130 17.47 -16.81 C:18 13.63 -6.56 C:36 13.63 -7.95 C:39 14.83 -5.85 C:33 18.52 -3.72 C:20 17.30 -4.43 C:20 17.30 -8.69 C:37 18.52 -7.95 C:73 15.80 -9.73 C:61 19.75 -5.85 O 15.40 -11.07 C:168 16.36 -12.09 C:158 15.71 -18.47 C:127 16.51 -15.79 C:44 19.75 -4.43 C:37 14.83 -8.69 C:50 16.08 -7.95 C:53 17.30 -5.85 C:37 16.08 -6.56 C:49 18.52 -6.56 31 1 -2 32 2 -2 3 29 1 30 4 -1 33 5 -1 6 26 2 7 27 1 8 9 2 8 26 1 9 28 1 10 11 2 29 10 -1 34 11 -1 12 14 1 12 27 2 13 15 2 13 27 1 14 28 2 15 28 1 16 17 1 16 18 1 17 30 1 18 33 1 19 20 1 19 29 1 20 32 1 21 22 1 21 31 1 22 34 1 23 25 1 30 23 -2 24 29 1 24 34 1 25 26 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C29H38O3', 434.324, 'C+C', 'cpb08_1030_2', 3696, '', '', '1', 47, NULL, NULL),
(14467, '', '18-O-(E)-p-Coumaroylbeyer-15-ene-11β ,18-diol', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]15[CH:15]=[CH:16][C@:13]([CH3:17])([CH2:12][C@H:11](O)[C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[C:109](=O)[CH:108]=[CH:107][c:101]4[cH:106][cH:105][c:104](O)[cH:103][cH:102]4)[CH2:14]5', '[H][C@@]23CC[C@]15C=C[C@](C)(C[C@H](O)[C@]1([H])[C@@]2(C)CCC[C@@]3(C)COC(=O)C=Cc4ccc(O)cc4)C5', '[H][C@@:50]23[CH2:21][CH2:37][C@:48]15[CH:141]=[CH:141][C@:43]([CH3:25])([CH2:45][C@H:69](O)[C@:60]1([H])[C@@:38]2([CH3:19])[CH2:39][CH2:18][CH2:36][C@@:37]3([CH3:18])[CH2:73]O[C:168](=O)[CH:116]=[CH:144][c:127]4[cH:130][cH:116][c:158](O)[cH:116][cH:130]4)[CH2:63]5', '35 39 H 16.08 -8.96 H 17.30 -6.84 C:17 19.75 -3.02 C:19 13.82 -9.64 C:20 16.08 -5.15 O 17.72 -11.77 O 15.31 -19.81 O 16.08 -3.73 C:108 15.96 -13.43 C:107 16.92 -14.45 C:16 20.90 -5.43 C:15 20.10 -6.84 C:105 14.75 -17.45 C:103 17.07 -18.15 C:106 15.15 -16.11 C:102 17.47 -16.81 C:2 13.63 -6.56 C:3 13.63 -7.95 C:1 14.83 -5.85 C:6 17.30 -8.69 C:7 18.52 -7.95 C:18 15.80 -9.73 C:12 18.52 -3.73 C:14 19.75 -5.85 O 15.40 -11.07 C:109 16.36 -12.09 C:104 15.71 -18.47 C:101 16.51 -15.79 C:11 17.30 -4.43 C:13 19.75 -4.43 C:4 14.83 -8.69 C:5 16.08 -7.95 C:10 16.08 -6.56 C:9 17.30 -5.85 C:8 18.52 -6.56 32 1 -2 34 2 -2 3 30 1 31 4 -1 33 5 -1 6 26 2 7 27 1 29 8 -1 9 10 2 9 26 1 10 28 1 11 12 2 30 11 -1 35 12 -1 13 15 1 13 27 2 14 16 2 14 27 1 15 28 2 16 28 1 17 18 1 17 19 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 31 22 -2 23 29 1 23 30 1 24 30 1 24 35 1 25 26 1 29 34 1 31 32 1 32 33 1 33 34 1 34 35 1', '35 39 H 16.08 -8.96 H 17.30 -6.84 C 19.75 -3.02 C 13.82 -9.64 C 16.08 -5.15 O 17.72 -11.77 O 15.31 -19.81 O 16.08 -3.73 C 15.96 -13.43 C 16.92 -14.45 C 20.90 -5.43 C 20.10 -6.84 C 14.75 -17.45 C 17.07 -18.15 C 15.15 -16.11 C 17.47 -16.81 C 13.63 -6.56 C 13.63 -7.95 C 14.83 -5.85 C 17.30 -8.69 C 18.52 -7.95 C 15.80 -9.73 C 18.52 -3.73 C 19.75 -5.85 O 15.40 -11.07 C 16.36 -12.09 C 15.71 -18.47 C 16.51 -15.79 C 17.30 -4.43 C 19.75 -4.43 C 14.83 -8.69 C 16.08 -7.95 C 16.08 -6.56 C 17.30 -5.85 C 18.52 -6.56 32 1 -2 34 2 -2 3 30 1 31 4 -1 33 5 -1 6 26 2 7 27 1 29 8 -1 9 10 2 9 26 1 10 28 1 11 12 2 30 11 -1 35 12 -1 13 15 1 13 27 2 14 16 2 14 27 1 15 28 2 16 28 1 17 18 1 17 19 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 31 22 -2 23 29 1 23 30 1 24 30 1 24 35 1 25 26 1 29 34 1 31 32 1 32 33 1 33 34 1 34 35 1', '35 39 H 16.08 -8.96 H 17.30 -6.84 C:25 19.75 -3.02 C:18 13.82 -9.64 C:19 16.08 -5.15 O 17.72 -11.77 O 15.31 -19.81 O 16.08 -3.73 C:116 15.96 -13.43 C:144 16.92 -14.45 C:141 20.90 -5.43 C:141 20.10 -6.84 C:116 14.75 -17.45 C:116 17.07 -18.15 C:130 15.15 -16.11 C:130 17.47 -16.81 C:18 13.63 -6.56 C:36 13.63 -7.95 C:39 14.83 -5.85 C:21 17.30 -8.69 C:37 18.52 -7.95 C:73 15.80 -9.73 C:45 18.52 -3.73 C:63 19.75 -5.85 O 15.40 -11.07 C:168 16.36 -12.09 C:158 15.71 -18.47 C:127 16.51 -15.79 C:69 17.30 -4.43 C:43 19.75 -4.43 C:37 14.83 -8.69 C:50 16.08 -7.95 C:38 16.08 -6.56 C:60 17.30 -5.85 C:48 18.52 -6.56 32 1 -2 34 2 -2 3 30 1 31 4 -1 33 5 -1 6 26 2 7 27 1 29 8 -1 9 10 2 9 26 1 10 28 1 11 12 2 30 11 -1 35 12 -1 13 15 1 13 27 2 14 16 2 14 27 1 15 28 2 16 28 1 17 18 1 17 19 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 31 22 -2 23 29 1 23 30 1 24 30 1 24 35 1 25 26 1 29 34 1 31 32 1 32 33 1 33 34 1 34 35 1', 'C29H38O4', 450.324, 'C', 'cpb08_1030_3', 3696, '', '', '1', 47, NULL, NULL),
(14468, '', '18-O-(Z)-p-Coumaroylbeyer-15-ene-11β ,18-diol', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]15[CH:15]=[CH:16][C@:13]([CH3:17])([CH2:12][C@H:11](O)[C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH2:19]O[C:109](=O)[CH:108]=[CH:107][c:101]4[cH:102][cH:103][c:104](O)[cH:105][cH:106]4)[CH2:14]5', '[H][C@@]23CC[C@]15C=C[C@](C)(C[C@H](O)[C@]1([H])[C@@]2(C)CCC[C@]3(C)COC(=O)C=Cc4ccc(O)cc4)C5', '[H][C@@:50]23[CH2:20][CH2:37][C@:48]15[CH:141]=[CH:141][C@:43]([CH3:25])([CH2:45][C@H:69](O)[C@:60]1([H])[C@@:38]2([CH3:19])[CH2:39][CH2:18][CH2:36][C@:37]3([CH3:73])[CH2:18]O[C:167](=O)[CH:117]=[CH:143][c:128]4[cH:132][cH:115][c:157](O)[cH:115][cH:132]4)[CH2:63]5', '35 39 H 19.31 -11.42 H 20.53 -9.30 C:17 22.99 -5.48 C:18 19.03 -12.19 C:20 19.31 -7.61 O 15.03 -14.05 O 10.33 -15.17 O 19.31 -6.19 C:108 16.70 -15.78 C:107 15.69 -16.75 C:16 24.14 -7.89 C:15 23.34 -9.30 C:103 12.00 -16.93 C:105 12.68 -14.61 C:102 13.35 -17.32 C:106 14.03 -14.99 C:2 16.86 -9.02 C:3 16.86 -10.41 C:1 18.06 -8.31 C:6 20.53 -11.15 C:7 21.76 -10.41 C:19 17.05 -12.10 C:12 21.76 -6.19 C:14 22.99 -8.31 O 17.38 -13.46 C:109 16.37 -14.43 C:104 11.67 -15.57 C:101 14.36 -16.35 C:11 20.53 -6.89 C:13 22.99 -6.89 C:4 18.06 -11.15 C:5 19.31 -10.41 C:10 19.31 -9.02 C:9 20.53 -8.31 C:8 21.76 -9.02 32 1 -2 34 2 -2 3 30 1 31 4 -2 33 5 -1 6 26 2 7 27 1 29 8 -1 9 10 2 9 26 1 10 28 1 11 12 2 30 11 -1 35 12 -1 13 15 2 13 27 1 14 16 1 14 27 2 15 28 1 16 28 2 17 18 1 17 19 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 31 22 -1 23 29 1 23 30 1 24 30 1 24 35 1 25 26 1 29 34 1 31 32 1 32 33 1 33 34 1 34 35 1', '35 39 H 19.31 -11.42 H 20.53 -9.30 C 22.99 -5.48 C 19.03 -12.19 C 19.31 -7.61 O 15.03 -14.05 O 10.33 -15.17 O 19.31 -6.19 C 16.70 -15.78 C 15.69 -16.75 C 24.14 -7.89 C 23.34 -9.30 C 12.00 -16.93 C 12.68 -14.61 C 13.35 -17.32 C 14.03 -14.99 C 16.86 -9.02 C 16.86 -10.41 C 18.06 -8.31 C 20.53 -11.15 C 21.76 -10.41 C 17.05 -12.10 C 21.76 -6.19 C 22.99 -8.31 O 17.38 -13.46 C 16.37 -14.43 C 11.67 -15.57 C 14.36 -16.35 C 20.53 -6.89 C 22.99 -6.89 C 18.06 -11.15 C 19.31 -10.41 C 19.31 -9.02 C 20.53 -8.31 C 21.76 -9.02 32 1 -2 34 2 -2 3 30 1 31 4 -2 33 5 -1 6 26 2 7 27 1 29 8 -1 9 10 2 9 26 1 10 28 1 11 12 2 30 11 -1 35 12 -1 13 15 2 13 27 1 14 16 1 14 27 2 15 28 1 16 28 2 17 18 1 17 19 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 31 22 -1 23 29 1 23 30 1 24 30 1 24 35 1 25 26 1 29 34 1 31 32 1 32 33 1 33 34 1 34 35 1', '35 39 H 19.31 -11.42 H 20.53 -9.30 C:25 22.99 -5.48 C:73 19.03 -12.19 C:19 19.31 -7.61 O 15.03 -14.05 O 10.33 -15.17 O 19.31 -6.19 C:117 16.70 -15.78 C:143 15.69 -16.75 C:141 24.14 -7.89 C:141 23.34 -9.30 C:115 12.00 -16.93 C:115 12.68 -14.61 C:132 13.35 -17.32 C:132 14.03 -14.99 C:18 16.86 -9.02 C:36 16.86 -10.41 C:39 18.06 -8.31 C:20 20.53 -11.15 C:37 21.76 -10.41 C:18 17.05 -12.10 C:45 21.76 -6.19 C:63 22.99 -8.31 O 17.38 -13.46 C:167 16.37 -14.43 C:157 11.67 -15.57 C:128 14.36 -16.35 C:69 20.53 -6.89 C:43 22.99 -6.89 C:37 18.06 -11.15 C:50 19.31 -10.41 C:38 19.31 -9.02 C:60 20.53 -8.31 C:48 21.76 -9.02 32 1 -2 34 2 -2 3 30 1 31 4 -2 33 5 -1 6 26 2 7 27 1 29 8 -1 9 10 2 9 26 1 10 28 1 11 12 2 30 11 -1 35 12 -1 13 15 2 13 27 1 14 16 1 14 27 2 15 28 1 16 28 2 17 18 1 17 19 1 18 31 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 31 22 -1 23 29 1 23 30 1 24 30 1 24 35 1 25 26 1 29 34 1 31 32 1 32 33 1 33 34 1 34 35 1', 'C29H38O4', 450.324, 'C', 'cpb08_1030_4', 3696, '', '', '1', 47, NULL, NULL),
(14469, '', 'Ent-cryptomeridiol-4-yl-hinokiiate', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]14[CH:15]=[CH:16][C@:13]([CH3:17])([CH2:12][C@H:11](O)[C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O)[CH2:14]4', '[H][C@@]23CC[C@]14C=C[C@](C)(C[C@H](O)[C@]1([H])[C@@]2(C)CCC[C@@]3(C)CO)C4', '[H][C@@:49]23[CH2:20][CH2:37][C@:48]14[CH:141]=[CH:141][C@:43]([CH3:25])([CH2:45][C@H:69](O)[C@:60]1([H])[C@@:38]2([CH3:19])[CH2:39][CH2:18][CH2:35][C@@:37]3([CH3:18])[CH2:72]O)[CH2:63]4', '24 27 H 16.08 -13.33 H 17.30 -11.21 C:17 19.75 -7.39 C:19 13.82 -14.01 C:20 16.08 -9.52 O 15.40 -15.44 O 16.08 -8.10 C:16 20.90 -9.80 C:15 20.10 -11.21 C:18 15.80 -14.10 C:2 13.63 -10.93 C:3 13.63 -12.32 C:6 17.30 -13.06 C:1 14.83 -10.22 C:7 18.52 -12.32 C:12 18.52 -8.10 C:14 19.75 -10.22 C:11 17.30 -8.80 C:13 19.75 -8.80 C:4 14.83 -13.06 C:5 16.08 -12.32 C:9 17.30 -10.22 C:10 16.08 -10.93 C:8 18.52 -10.93 21 1 -2 22 2 -2 3 19 1 20 4 -1 23 5 -1 6 10 1 18 7 -1 8 9 2 19 8 -1 24 9 -1 20 10 -2 11 12 1 11 14 1 12 20 1 13 15 1 13 21 1 14 23 1 15 24 1 16 18 1 16 19 1 17 19 1 17 24 1 18 22 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.08 -13.33 H 17.30 -11.21 C 19.75 -7.39 C 13.82 -14.01 C 16.08 -9.52 O 15.40 -15.44 O 16.08 -8.10 C 20.90 -9.80 C 20.10 -11.21 C 15.80 -14.10 C 13.63 -10.93 C 13.63 -12.32 C 17.30 -13.06 C 14.83 -10.22 C 18.52 -12.32 C 18.52 -8.10 C 19.75 -10.22 C 17.30 -8.80 C 19.75 -8.80 C 14.83 -13.06 C 16.08 -12.32 C 17.30 -10.22 C 16.08 -10.93 C 18.52 -10.93 21 1 -2 22 2 -2 3 19 1 20 4 -1 23 5 -1 6 10 1 18 7 -1 8 9 2 19 8 -1 24 9 -1 20 10 -2 11 12 1 11 14 1 12 20 1 13 15 1 13 21 1 14 23 1 15 24 1 16 18 1 16 19 1 17 19 1 17 24 1 18 22 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.08 -13.33 H 17.30 -11.21 C:25 19.75 -7.39 C:18 13.82 -14.01 C:19 16.08 -9.52 O 15.40 -15.44 O 16.08 -8.10 C:141 20.90 -9.80 C:141 20.10 -11.21 C:72 15.80 -14.10 C:18 13.63 -10.93 C:35 13.63 -12.32 C:20 17.30 -13.06 C:39 14.83 -10.22 C:37 18.52 -12.32 C:45 18.52 -8.10 C:63 19.75 -10.22 C:69 17.30 -8.80 C:43 19.75 -8.80 C:37 14.83 -13.06 C:49 16.08 -12.32 C:60 17.30 -10.22 C:38 16.08 -10.93 C:48 18.52 -10.93 21 1 -2 22 2 -2 3 19 1 20 4 -1 23 5 -1 6 10 1 18 7 -1 8 9 2 19 8 -1 24 9 -1 20 10 -2 11 12 1 11 14 1 12 20 1 13 15 1 13 21 1 14 23 1 15 24 1 16 18 1 16 19 1 17 19 1 17 24 1 18 22 1 20 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'C', 'cpb08_1030_3a', 3696, '', '', '1', 47, NULL, NULL),
(14470, '', '4R-Carboxy-13R-hydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C:16](=O)O[C@@:13]([CH3:17])([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)[CH2:14]4', '[H][C@]23CC[C@@]14CC(=O)O[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:57]23[CH2:20][CH2:44][C@@:35]14[CH2:39][C:172](=O)O[C@@:80]([CH3:28])([CH2:39][CH2:19][C@@:56]1([H])[C@:38]2([CH3:14])[CH2:40][CH2:20][CH2:39][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:48]4', '26 29 H 15.99 -13.43 H 17.23 -11.29 C:17 19.69 -7.41 C:18 15.71 -14.20 C:20 15.99 -9.57 O 12.35 -13.70 O 22.13 -11.76 O 14.03 -15.49 C:2 13.51 -11.00 C:3 13.51 -12.42 C:12 18.46 -8.12 C:1 14.72 -10.28 C:11 17.23 -8.84 C:6 17.23 -13.16 C:7 18.46 -12.42 C:15 19.69 -11.71 C:14 19.71 -10.28 O 20.92 -9.55 C:19 13.70 -14.11 C:16 20.92 -11.01 C:13 19.69 -8.84 C:5 15.99 -12.42 C:9 17.23 -10.28 C:4 14.72 -13.16 C:10 15.99 -11.00 C:8 18.46 -11.00 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 19 2 7 20 2 8 19 1 9 10 1 9 12 1 10 24 1 11 13 1 11 21 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 16 20 1 26 16 -2 17 21 1 17 26 1 18 20 1 21 18 -2 24 19 -2 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 15.99 -13.43 H 17.23 -11.29 C 19.69 -7.41 C 15.71 -14.20 C 15.99 -9.57 O 12.35 -13.70 O 22.13 -11.76 O 14.03 -15.49 C 13.51 -11.00 C 13.51 -12.42 C 18.46 -8.12 C 14.72 -10.28 C 17.23 -8.84 C 17.23 -13.16 C 18.46 -12.42 C 19.69 -11.71 C 19.71 -10.28 O 20.92 -9.55 C 13.70 -14.11 C 20.92 -11.01 C 19.69 -8.84 C 15.99 -12.42 C 17.23 -10.28 C 14.72 -13.16 C 15.99 -11.00 C 18.46 -11.00 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 19 2 7 20 2 8 19 1 9 10 1 9 12 1 10 24 1 11 13 1 11 21 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 16 20 1 26 16 -2 17 21 1 17 26 1 18 20 1 21 18 -2 24 19 -2 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 15.99 -13.43 H 17.23 -11.29 C:28 19.69 -7.41 C:29 15.71 -14.20 C:14 15.99 -9.57 O 12.35 -13.70 O 22.13 -11.76 O 14.03 -15.49 C:20 13.51 -11.00 C:39 13.51 -12.42 C:39 18.46 -8.12 C:40 14.72 -10.28 C:19 17.23 -8.84 C:20 17.23 -13.16 C:44 18.46 -12.42 C:39 19.69 -11.71 C:48 19.71 -10.28 O 20.92 -9.55 C:180 13.70 -14.11 C:172 20.92 -11.01 C:80 19.69 -8.84 C:57 15.99 -12.42 C:56 17.23 -10.28 C:44 14.72 -13.16 C:38 15.99 -11.00 C:35 18.46 -11.00 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 19 2 7 20 2 8 19 1 9 10 1 9 12 1 10 24 1 11 13 1 11 21 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 16 20 1 26 16 -2 17 21 1 17 26 1 18 20 1 21 18 -2 24 19 -2 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H30O4', 334.227, 'P', 'np08_602_2', 3697, '', '', '1', 47, NULL, NULL),
(14471, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15]O[C:16](=O)[C@@:13]([CH3:17])([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)[CH2:14]4', '[H][C@]23CC[C@@]14COC(=O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:57]23[CH2:21][CH2:41][C@@:35]14[CH2:78]O[C:176](=O)[C@@:40]([CH3:25])([CH2:40][CH2:21][C@@:56]1([H])[C@:38]2([CH3:14])[CH2:40][CH2:20][CH2:39][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:48]4', '26 29 H 16.03 -13.40 H 17.26 -11.25 C:17 19.71 -7.36 C:18 15.75 -14.17 C:20 16.03 -9.53 O 12.37 -13.67 O 22.16 -8.84 O 14.06 -15.47 C:2 13.54 -10.96 C:3 13.54 -12.38 C:12 18.49 -8.07 C:1 14.75 -10.24 C:11 17.26 -8.79 C:6 17.26 -13.13 C:7 18.49 -12.38 C:15 19.71 -11.67 C:14 19.71 -10.24 O 20.94 -10.96 C:19 13.73 -14.08 C:16 20.94 -9.53 C:13 19.71 -8.79 C:5 16.03 -12.38 C:9 17.26 -10.24 C:4 14.75 -13.13 C:10 16.03 -10.96 C:8 18.49 -10.96 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 19 2 7 20 2 8 19 1 9 10 1 9 12 1 10 24 1 11 13 1 11 21 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 16 18 1 26 16 -2 17 21 1 17 26 1 18 20 1 24 19 -2 21 20 -2 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 16.03 -13.40 H 17.26 -11.25 C 19.71 -7.36 C 15.75 -14.17 C 16.03 -9.53 O 12.37 -13.67 O 22.16 -8.84 O 14.06 -15.47 C 13.54 -10.96 C 13.54 -12.38 C 18.49 -8.07 C 14.75 -10.24 C 17.26 -8.79 C 17.26 -13.13 C 18.49 -12.38 C 19.71 -11.67 C 19.71 -10.24 O 20.94 -10.96 C 13.73 -14.08 C 20.94 -9.53 C 19.71 -8.79 C 16.03 -12.38 C 17.26 -10.24 C 14.75 -13.13 C 16.03 -10.96 C 18.49 -10.96 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 19 2 7 20 2 8 19 1 9 10 1 9 12 1 10 24 1 11 13 1 11 21 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 16 18 1 26 16 -2 17 21 1 17 26 1 18 20 1 24 19 -2 21 20 -2 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 16.03 -13.40 H 17.26 -11.25 C:25 19.71 -7.36 C:29 15.75 -14.17 C:14 16.03 -9.53 O 12.37 -13.67 O 22.16 -8.84 O 14.06 -15.47 C:20 13.54 -10.96 C:39 13.54 -12.38 C:40 18.49 -8.07 C:40 14.75 -10.24 C:21 17.26 -8.79 C:21 17.26 -13.13 C:41 18.49 -12.38 C:78 19.71 -11.67 C:48 19.71 -10.24 O 20.94 -10.96 C:180 13.73 -14.08 C:176 20.94 -9.53 C:40 19.71 -8.79 C:57 16.03 -12.38 C:56 17.26 -10.24 C:44 14.75 -13.13 C:38 16.03 -10.96 C:35 18.49 -10.96 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 19 2 7 20 2 8 19 1 9 10 1 9 12 1 10 24 1 11 13 1 11 21 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 16 18 1 26 16 -2 17 21 1 17 26 1 18 20 1 24 19 -2 21 20 -2 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H30O4', 334.227, 'P', 'np08_602_3', 3697, '', '', '1', 47, NULL, NULL),
(14472, '', '4α-Carboxy-7β,13α-dihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15][C:16](=O)O2)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O)[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(CC(=O)O2)[C@@H](O)C[C@]4([H])[C@](C)(C(=O)O)CCC[C@@]34C', '[H][C@@:49]13[CH2:19][CH2:38][C@@:81]2([CH3:29])[CH2:43][C@@:40]1([CH2:38][C:172](=O)O2)[C@@H:74](O)[CH2:28][C@:47]4([H])[C@:43]([CH3:29])([C:180](=O)O)[CH2:39][CH2:20][CH2:40][C@@:38]34[CH3:14]', '27 30 H 17.26 -11.25 H 16.02 -13.39 C:17 19.70 -7.36 C:18 15.74 -14.16 C:20 16.02 -9.53 O 22.15 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 19.70 -13.06 C:2 13.53 -10.96 C:3 13.53 -12.38 C:1 14.74 -10.24 C:12 18.49 -8.07 C:11 17.26 -8.79 C:15 19.70 -11.67 C:6 17.26 -13.12 C:14 19.70 -10.24 O 20.94 -9.53 C:16 20.94 -10.96 C:19 13.72 -14.07 C:7 18.49 -12.38 C:13 19.70 -8.79 C:9 17.26 -10.24 C:5 16.02 -12.38 C:4 14.74 -13.12 C:10 16.02 -10.96 C:8 18.49 -10.96 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 20 1 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 19 1 22 18 -2 25 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 17.26 -11.25 H 16.02 -13.39 C 19.70 -7.36 C 15.74 -14.16 C 16.02 -9.53 O 22.15 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 19.70 -13.06 C 13.53 -10.96 C 13.53 -12.38 C 14.74 -10.24 C 18.49 -8.07 C 17.26 -8.79 C 19.70 -11.67 C 17.26 -13.12 C 19.70 -10.24 O 20.94 -9.53 C 20.94 -10.96 C 13.72 -14.07 C 18.49 -12.38 C 19.70 -8.79 C 17.26 -10.24 C 16.02 -12.38 C 14.74 -13.12 C 16.02 -10.96 C 18.49 -10.96 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 20 1 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 19 1 22 18 -2 25 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 17.26 -11.25 H 16.02 -13.39 C:29 19.70 -7.36 C:29 15.74 -14.16 C:14 16.02 -9.53 O 22.15 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 19.70 -13.06 C:20 13.53 -10.96 C:39 13.53 -12.38 C:40 14.74 -10.24 C:38 18.49 -8.07 C:19 17.26 -8.79 C:38 19.70 -11.67 C:28 17.26 -13.12 C:43 19.70 -10.24 O 20.94 -9.53 C:172 20.94 -10.96 C:180 13.72 -14.07 C:74 18.49 -12.38 C:81 19.70 -8.79 C:49 17.26 -10.24 C:47 16.02 -12.38 C:43 14.74 -13.12 C:38 16.02 -10.96 C:40 18.49 -10.96 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 20 1 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 19 1 22 18 -2 25 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', 'C20H30O5', 350.227, 'P', 'np08_602_4', 3697, '', '', '1', 47, NULL, NULL),
(14473, '', '4α-Carboxy-7β,15α-dihydroxy-15,16-seco-ent-19-norbeyeran-16-oic acid 15,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15]O[C:16]2=O)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O)[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(COC2=O)[C@@H](O)C[C@]4([H])[C@](C)(C(=O)O)CCC[C@@]34C', '[H][C@@:50]13[CH2:21][CH2:40][C@@:40]2([CH3:26])[CH2:43][C@@:39]1([CH2:77]O[C:176]2=O)[C@@H:72](O)[CH2:30][C@:48]4([H])[C@:43]([CH3:29])([C:180](=O)O)[CH2:39][CH2:20][CH2:40][C@@:38]34[CH3:14]', '27 30 H 17.25 -11.26 H 16.03 -13.40 C:17 19.71 -7.36 C:18 15.75 -14.17 C:20 16.03 -9.53 O 12.37 -13.67 O 22.15 -8.84 O 14.06 -15.47 O 19.71 -13.05 C:2 13.54 -10.97 C:3 13.54 -12.38 C:1 14.75 -10.26 C:12 18.48 -8.07 C:11 17.25 -8.79 C:15 19.71 -11.68 C:6 17.25 -13.13 C:14 19.71 -10.26 O 20.93 -10.97 C:19 13.73 -14.08 C:16 20.93 -9.53 C:7 18.48 -12.38 C:13 19.71 -8.79 C:9 17.25 -10.26 C:5 16.03 -12.38 C:4 14.75 -13.13 C:10 16.03 -10.97 C:8 18.48 -10.97 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 19 1 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 18 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 25 19 -2 22 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 17.25 -11.26 H 16.03 -13.40 C 19.71 -7.36 C 15.75 -14.17 C 16.03 -9.53 O 12.37 -13.67 O 22.15 -8.84 O 14.06 -15.47 O 19.71 -13.05 C 13.54 -10.97 C 13.54 -12.38 C 14.75 -10.26 C 18.48 -8.07 C 17.25 -8.79 C 19.71 -11.68 C 17.25 -13.13 C 19.71 -10.26 O 20.93 -10.97 C 13.73 -14.08 C 20.93 -9.53 C 18.48 -12.38 C 19.71 -8.79 C 17.25 -10.26 C 16.03 -12.38 C 14.75 -13.13 C 16.03 -10.97 C 18.48 -10.97 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 19 1 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 18 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 25 19 -2 22 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 17.25 -11.26 H 16.03 -13.40 C:26 19.71 -7.36 C:29 15.75 -14.17 C:14 16.03 -9.53 O 12.37 -13.67 O 22.15 -8.84 O 14.06 -15.47 O 19.71 -13.05 C:20 13.54 -10.97 C:39 13.54 -12.38 C:40 14.75 -10.26 C:40 18.48 -8.07 C:21 17.25 -8.79 C:77 19.71 -11.68 C:30 17.25 -13.13 C:43 19.71 -10.26 O 20.93 -10.97 C:180 13.73 -14.08 C:176 20.93 -9.53 C:72 18.48 -12.38 C:40 19.71 -8.79 C:50 17.25 -10.26 C:48 16.03 -12.38 C:43 14.75 -13.13 C:38 16.03 -10.97 C:39 18.48 -10.97 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 19 1 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 18 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 25 19 -2 22 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', 'C20H30O5', 350.227, 'P', 'np08_602_5', 3697, '', '', '1', 47, NULL, NULL),
(14474, '', '15,16-Dioxo-16-methoxy-15,16-seco-ent-beyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH:15]=O)[CH2:14][C@@:13]([CH3:17])([C:16](=O)O[CH3:16001])[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', '[H][C@]23CC[C@]1(C=O)C[C@@](C)(C(=O)OC)CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O', '[H][C@:57]23[CH2:21][CH2:37][C@:50]1([CH:206]=O)[CH2:49][C@@:42]([CH3:29])([C:177](=O)O[CH3:52])[CH2:36][CH2:19][C@@:57]1([H])[C@:38]2([CH3:14])[CH2:39][CH2:20][CH2:39][C@@:44]3([CH3:29])[C:180](=O)O', '28 30 H 15.51 -13.32 H 16.75 -11.19 C:16001 22.70 -7.46 C:17 19.89 -7.46 C:18 15.22 -14.10 C:20 15.51 -9.45 O 19.20 -13.05 O 11.85 -13.59 O 21.34 -9.89 O 13.53 -15.40 C:15 19.20 -11.61 C:2 13.01 -10.90 C:12 17.98 -7.98 C:3 13.01 -12.30 C:11 16.75 -8.70 C:6 16.75 -13.05 C:1 14.22 -10.19 C:7 17.98 -12.30 C:14 19.20 -10.19 O 21.34 -7.46 C:19 13.20 -14.01 C:16 20.62 -8.70 C:13 19.20 -8.70 C:5 15.51 -12.30 C:9 16.75 -10.19 C:4 14.22 -13.05 C:10 15.51 -10.90 C:8 17.98 -10.90 24 1 -1 25 2 -1 3 20 1 23 4 -1 26 5 -1 27 6 -2 7 11 2 8 21 2 9 22 2 10 21 1 28 11 -2 12 14 1 12 17 1 13 15 1 13 23 1 14 26 1 15 25 1 16 18 1 16 24 1 17 27 1 18 28 1 19 23 1 19 28 1 20 22 1 26 21 -2 23 22 -2 24 26 1 24 27 1 25 27 1 25 28 1', '28 30 H 15.51 -13.32 H 16.75 -11.19 C 22.70 -7.46 C 19.89 -7.46 C 15.22 -14.10 C 15.51 -9.45 O 19.20 -13.05 O 11.85 -13.59 O 21.34 -9.89 O 13.53 -15.40 C 19.20 -11.61 C 13.01 -10.90 C 17.98 -7.98 C 13.01 -12.30 C 16.75 -8.70 C 16.75 -13.05 C 14.22 -10.19 C 17.98 -12.30 C 19.20 -10.19 O 21.34 -7.46 C 13.20 -14.01 C 20.62 -8.70 C 19.20 -8.70 C 15.51 -12.30 C 16.75 -10.19 C 14.22 -13.05 C 15.51 -10.90 C 17.98 -10.90 24 1 -1 25 2 -1 3 20 1 23 4 -1 26 5 -1 27 6 -2 7 11 2 8 21 2 9 22 2 10 21 1 28 11 -2 12 14 1 12 17 1 13 15 1 13 23 1 14 26 1 15 25 1 16 18 1 16 24 1 17 27 1 18 28 1 19 23 1 19 28 1 20 22 1 26 21 -2 23 22 -2 24 26 1 24 27 1 25 27 1 25 28 1', '28 30 H 15.51 -13.32 H 16.75 -11.19 C:52 22.70 -7.46 C:29 19.89 -7.46 C:29 15.22 -14.10 C:14 15.51 -9.45 O 19.20 -13.05 O 11.85 -13.59 O 21.34 -9.89 O 13.53 -15.40 C:206 19.20 -11.61 C:20 13.01 -10.90 C:36 17.98 -7.98 C:39 13.01 -12.30 C:19 16.75 -8.70 C:21 16.75 -13.05 C:39 14.22 -10.19 C:37 17.98 -12.30 C:49 19.20 -10.19 O 21.34 -7.46 C:180 13.20 -14.01 C:177 20.62 -8.70 C:42 19.20 -8.70 C:57 15.51 -12.30 C:57 16.75 -10.19 C:44 14.22 -13.05 C:38 15.51 -10.90 C:50 17.98 -10.90 24 1 -1 25 2 -1 3 20 1 23 4 -1 26 5 -1 27 6 -2 7 11 2 8 21 2 9 22 2 10 21 1 28 11 -2 12 14 1 12 17 1 13 15 1 13 23 1 14 26 1 15 25 1 16 18 1 16 24 1 17 27 1 18 28 1 19 23 1 19 28 1 20 22 1 26 21 -2 23 22 -2 24 26 1 24 27 1 25 27 1 25 28 1', 'C21H32O5', 364.238, 'P', 'np08_602_6', 3697, '', '', '1', 47, NULL, NULL),
(14475, '', '4α-carboxy-1α,13α-dihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C:16](=O)O[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@@]14CC(=O)O[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@@H](O)CC[C@@]3(C)C(=O)O)C4', '[H][C@:56]23[CH2:20][CH2:44][C@@:36]14[CH2:40][C:172](=O)O[C@@:80]([CH3:28])([CH2:39][CH2:22][C@@:57]1([H])[C@:44]2([CH3:10])[C@@H:81](O)[CH2:31][CH2:37][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:48]4', '27 30 H 16.02 -13.39 H 17.25 -11.25 C:17 19.70 -7.36 C:18 15.74 -14.16 C:20 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 14.74 -8.84 C:2 13.53 -10.96 C:3 13.53 -12.38 C:12 18.48 -8.07 C:11 17.25 -8.79 C:6 17.25 -13.12 C:7 18.48 -12.38 C:15 19.70 -11.67 C:14 19.70 -10.24 O 20.93 -9.53 C:16 20.93 -10.96 C:19 13.72 -14.07 C:1 14.74 -10.24 C:13 19.70 -8.79 C:5 16.02 -12.38 C:9 17.25 -10.24 C:4 14.74 -13.12 C:10 16.02 -10.96 C:8 18.48 -10.96 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 10 11 1 10 21 1 11 25 1 12 13 1 12 22 1 13 24 1 14 15 1 14 23 1 15 27 1 16 19 1 27 16 -2 17 22 1 17 27 1 18 19 1 22 18 -2 25 20 -2 21 26 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.02 -13.39 H 17.25 -11.25 C 19.70 -7.36 C 15.74 -14.16 C 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 14.74 -8.84 C 13.53 -10.96 C 13.53 -12.38 C 18.48 -8.07 C 17.25 -8.79 C 17.25 -13.12 C 18.48 -12.38 C 19.70 -11.67 C 19.70 -10.24 O 20.93 -9.53 C 20.93 -10.96 C 13.72 -14.07 C 14.74 -10.24 C 19.70 -8.79 C 16.02 -12.38 C 17.25 -10.24 C 14.74 -13.12 C 16.02 -10.96 C 18.48 -10.96 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 10 11 1 10 21 1 11 25 1 12 13 1 12 22 1 13 24 1 14 15 1 14 23 1 15 27 1 16 19 1 27 16 -2 17 22 1 17 27 1 18 19 1 22 18 -2 25 20 -2 21 26 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.02 -13.39 H 17.25 -11.25 C:28 19.70 -7.36 C:29 15.74 -14.16 C:10 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 14.74 -8.84 C:31 13.53 -10.96 C:37 13.53 -12.38 C:39 18.48 -8.07 C:22 17.25 -8.79 C:20 17.25 -13.12 C:44 18.48 -12.38 C:40 19.70 -11.67 C:48 19.70 -10.24 O 20.93 -9.53 C:172 20.93 -10.96 C:180 13.72 -14.07 C:81 14.74 -10.24 C:80 19.70 -8.79 C:56 16.02 -12.38 C:57 17.25 -10.24 C:44 14.74 -13.12 C:44 16.02 -10.96 C:36 18.48 -10.96 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 10 11 1 10 21 1 11 25 1 12 13 1 12 22 1 13 24 1 14 15 1 14 23 1 15 27 1 16 19 1 27 16 -2 17 22 1 17 27 1 18 19 1 22 18 -2 25 20 -2 21 26 1 23 25 1 23 26 1 24 26 1 24 27 1', 'C20H30O5', 350.227, 'P', 'np08_602_7', 3697, '', '', '1', 47, NULL, NULL),
(14476, '', '4α-carboxy-1α,15α-dihydroxy-15,16-seco-ent-19-norbeyeran-16-oic acid 15,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15]O[C:16](=O)[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@@]14COC(=O)[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@@H](O)CC[C@@]3(C)C(=O)O)C4', '[H][C@:56]23[CH2:21][CH2:41][C@@:36]14[CH2:79]O[C:176](=O)[C@@:40]([CH3:26])([CH2:40][CH2:24][C@@:57]1([H])[C@:45]2([CH3:10])[C@@H:81](O)[CH2:31][CH2:37][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:48]4', '27 30 H 16.01 -13.39 H 17.25 -11.26 C:17 19.70 -7.37 C:18 15.73 -14.16 C:20 16.01 -9.52 O 12.36 -13.66 O 22.16 -8.85 O 14.04 -15.46 O 14.73 -8.85 C:2 13.52 -10.97 C:3 13.52 -12.37 C:12 18.48 -8.07 C:11 17.25 -8.78 C:6 17.25 -13.12 C:7 18.48 -12.37 C:15 19.70 -11.68 C:14 19.70 -10.25 O 20.93 -10.97 C:19 13.71 -14.07 C:16 20.93 -9.52 C:1 14.73 -10.25 C:13 19.70 -8.78 C:5 16.01 -12.37 C:9 17.25 -10.25 C:4 14.73 -13.12 C:10 16.01 -10.97 C:8 18.48 -10.97 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 19 1 21 9 -2 10 11 1 10 21 1 11 25 1 12 13 1 12 22 1 13 24 1 14 15 1 14 23 1 15 27 1 16 18 1 27 16 -2 17 22 1 17 27 1 18 20 1 25 19 -2 22 20 -2 21 26 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.01 -13.39 H 17.25 -11.26 C 19.70 -7.37 C 15.73 -14.16 C 16.01 -9.52 O 12.36 -13.66 O 22.16 -8.85 O 14.04 -15.46 O 14.73 -8.85 C 13.52 -10.97 C 13.52 -12.37 C 18.48 -8.07 C 17.25 -8.78 C 17.25 -13.12 C 18.48 -12.37 C 19.70 -11.68 C 19.70 -10.25 O 20.93 -10.97 C 13.71 -14.07 C 20.93 -9.52 C 14.73 -10.25 C 19.70 -8.78 C 16.01 -12.37 C 17.25 -10.25 C 14.73 -13.12 C 16.01 -10.97 C 18.48 -10.97 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 19 1 21 9 -2 10 11 1 10 21 1 11 25 1 12 13 1 12 22 1 13 24 1 14 15 1 14 23 1 15 27 1 16 18 1 27 16 -2 17 22 1 17 27 1 18 20 1 25 19 -2 22 20 -2 21 26 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 16.01 -13.39 H 17.25 -11.26 C:26 19.70 -7.37 C:29 15.73 -14.16 C:10 16.01 -9.52 O 12.36 -13.66 O 22.16 -8.85 O 14.04 -15.46 O 14.73 -8.85 C:31 13.52 -10.97 C:37 13.52 -12.37 C:40 18.48 -8.07 C:24 17.25 -8.78 C:21 17.25 -13.12 C:41 18.48 -12.37 C:79 19.70 -11.68 C:48 19.70 -10.25 O 20.93 -10.97 C:180 13.71 -14.07 C:176 20.93 -9.52 C:81 14.73 -10.25 C:40 19.70 -8.78 C:56 16.01 -12.37 C:57 17.25 -10.25 C:44 14.73 -13.12 C:45 16.01 -10.97 C:36 18.48 -10.97 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 19 1 21 9 -2 10 11 1 10 21 1 11 25 1 12 13 1 12 22 1 13 24 1 14 15 1 14 23 1 15 27 1 16 18 1 27 16 -2 17 22 1 17 27 1 18 20 1 25 19 -2 22 20 -2 21 26 1 23 25 1 23 26 1 24 26 1 24 27 1', 'C20H30O5', 350.227, 'P', 'np08_602_8', 3697, '', '', '1', 47, NULL, NULL),
(14477, '', '4α-carboxy-1α,7α,13α-trihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15][C:16](=O)O2)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O)[CH2:3][CH2:2][C@H:1](O)[C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(CC(=O)O2)[C@@H](O)C[C@]4([H])[C@](C)(C(=O)O)CC[C@H](O)[C@@]34C', '[H][C@@:51]13[CH2:22][CH2:39][C@@:81]2([CH3:29])[CH2:43][C@@:41]1([CH2:39][C:172](=O)O2)[C@@H:75](O)[CH2:28][C@:46]4([H])[C@:43]([CH3:29])([C:180](=O)O)[CH2:37][CH2:31][C@H:81](O)[C@@:44]34[CH3:10]', '28 31 H 17.25 -11.25 H 16.02 -13.39 C:17 19.71 -7.36 C:18 15.74 -14.16 C:20 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 14.74 -8.84 O 19.71 -13.06 C:2 13.53 -10.96 C:3 13.53 -12.38 C:12 18.48 -8.07 C:11 17.25 -8.79 C:15 19.71 -11.67 C:6 17.25 -13.12 C:14 19.71 -10.24 O 20.93 -9.53 C:16 20.93 -10.96 C:19 13.72 -14.07 C:1 14.74 -10.24 C:7 18.48 -12.38 C:13 19.71 -8.79 C:9 17.25 -10.24 C:5 16.02 -12.38 C:4 14.74 -13.12 C:10 16.02 -10.96 C:8 18.48 -10.96 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 19 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 19 1 23 18 -2 26 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 17.25 -11.25 H 16.02 -13.39 C 19.71 -7.36 C 15.74 -14.16 C 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 14.74 -8.84 O 19.71 -13.06 C 13.53 -10.96 C 13.53 -12.38 C 18.48 -8.07 C 17.25 -8.79 C 19.71 -11.67 C 17.25 -13.12 C 19.71 -10.24 O 20.93 -9.53 C 20.93 -10.96 C 13.72 -14.07 C 14.74 -10.24 C 18.48 -12.38 C 19.71 -8.79 C 17.25 -10.24 C 16.02 -12.38 C 14.74 -13.12 C 16.02 -10.96 C 18.48 -10.96 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 19 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 19 1 23 18 -2 26 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 17.25 -11.25 H 16.02 -13.39 C:29 19.71 -7.36 C:29 15.74 -14.16 C:10 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 14.05 -15.46 O 14.74 -8.84 O 19.71 -13.06 C:31 13.53 -10.96 C:37 13.53 -12.38 C:39 18.48 -8.07 C:22 17.25 -8.79 C:39 19.71 -11.67 C:28 17.25 -13.12 C:43 19.71 -10.24 O 20.93 -9.53 C:172 20.93 -10.96 C:180 13.72 -14.07 C:81 14.74 -10.24 C:75 18.48 -12.38 C:81 19.71 -8.79 C:51 17.25 -10.24 C:46 16.02 -12.38 C:43 14.74 -13.12 C:44 16.02 -10.96 C:41 18.48 -10.96 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 19 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 19 1 23 18 -2 26 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', 'C20H30O6', 366.226, 'P', 'np08_602_9', 3697, '', '', '1', 47, NULL, NULL),
(14478, '', '4α-carboxy-1α,7α,15α-trihydroxy-15,16-seco-ent-19-norbeyeran-16-oic acid 15,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15]O[C:16]2=O)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O)[CH2:3][CH2:2][C@H:1](O)[C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(COC2=O)[C@@H](O)C[C@]4([H])[C@](C)(C(=O)O)CC[C@H](O)[C@@]34C', '[H][C@@:51]13[CH2:24][CH2:40][C@@:40]2([CH3:26])[CH2:43][C@@:40]1([CH2:77]O[C:177]2=O)[C@@H:73](O)[CH2:30][C@:46]4([H])[C@:43]([CH3:29])([C:180](=O)O)[CH2:37][CH2:31][C@H:81](O)[C@@:44]34[CH3:10]', '28 31 H 17.24 -11.26 H 16.00 -13.39 C:17 19.71 -7.36 C:18 15.72 -14.16 C:20 16.00 -9.52 O 12.36 -13.66 O 22.15 -8.85 O 14.04 -15.45 O 14.73 -8.85 O 19.71 -13.02 C:2 13.52 -10.97 C:3 13.52 -12.37 C:12 18.47 -8.06 C:11 17.24 -8.78 C:15 19.71 -11.68 C:6 17.24 -13.12 C:14 19.71 -10.25 O 20.92 -10.97 C:19 13.71 -14.07 C:16 20.92 -9.52 C:1 14.73 -10.25 C:7 18.47 -12.37 C:13 19.71 -8.78 C:9 17.24 -10.25 C:5 16.00 -12.37 C:4 14.73 -13.12 C:10 16.00 -10.97 C:8 18.47 -10.97 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 19 1 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 18 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 20 1 26 19 -2 23 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 17.24 -11.26 H 16.00 -13.39 C 19.71 -7.36 C 15.72 -14.16 C 16.00 -9.52 O 12.36 -13.66 O 22.15 -8.85 O 14.04 -15.45 O 14.73 -8.85 O 19.71 -13.02 C 13.52 -10.97 C 13.52 -12.37 C 18.47 -8.06 C 17.24 -8.78 C 19.71 -11.68 C 17.24 -13.12 C 19.71 -10.25 O 20.92 -10.97 C 13.71 -14.07 C 20.92 -9.52 C 14.73 -10.25 C 18.47 -12.37 C 19.71 -8.78 C 17.24 -10.25 C 16.00 -12.37 C 14.73 -13.12 C 16.00 -10.97 C 18.47 -10.97 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 19 1 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 18 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 20 1 26 19 -2 23 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 17.24 -11.26 H 16.00 -13.39 C:26 19.71 -7.36 C:29 15.72 -14.16 C:10 16.00 -9.52 O 12.36 -13.66 O 22.15 -8.85 O 14.04 -15.45 O 14.73 -8.85 O 19.71 -13.02 C:31 13.52 -10.97 C:37 13.52 -12.37 C:40 18.47 -8.06 C:24 17.24 -8.78 C:77 19.71 -11.68 C:30 17.24 -13.12 C:43 19.71 -10.25 O 20.92 -10.97 C:180 13.71 -14.07 C:177 20.92 -9.52 C:81 14.73 -10.25 C:73 18.47 -12.37 C:40 19.71 -8.78 C:51 17.24 -10.25 C:46 16.00 -12.37 C:43 14.73 -13.12 C:44 16.00 -10.97 C:40 18.47 -10.97 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 19 1 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 18 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 20 1 26 19 -2 23 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', 'C20H30O6', 366.226, 'P', 'np08_602_10', 3697, '', '', '1', 47, NULL, NULL),
(14479, '', '4α-Carboxy-1α,13α-dihydroxy-7-oxo-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][C:7](=O)[C@@:8]14[CH2:15][C:16](=O)O[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC(=O)[C@@]14CC(=O)O[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@@H](O)CC[C@@]3(C)C(=O)O)C4', '[H][C@:53]23[CH2:38][C:212](=O)[C@@:48]14[CH2:35][C:170](=O)O[C@@:80]([CH3:28])([CH2:38][CH2:21][C@@:57]1([H])[C@:43]2([CH3:9])[C@@H:79](O)[CH2:30][CH2:36][C@@:43]3([CH3:28])[C:179](=O)O)[CH2:39]4', '28 31 H 16.02 -13.39 H 17.25 -11.25 C:17 19.71 -7.36 C:18 15.74 -14.16 C:20 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 19.71 -13.06 O 14.05 -15.46 O 14.74 -8.84 C:2 13.53 -10.96 C:3 13.53 -12.38 C:12 18.48 -8.07 C:11 17.25 -8.79 C:15 19.71 -11.67 C:6 17.25 -13.12 C:14 19.71 -10.24 O 20.93 -9.53 C:16 20.93 -10.96 C:19 13.72 -14.07 C:7 18.48 -12.38 C:1 14.74 -10.24 C:13 19.71 -8.79 C:5 16.02 -12.38 C:9 17.25 -10.24 C:4 14.74 -13.12 C:10 16.02 -10.96 C:8 18.48 -10.96 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 21 2 9 20 1 22 10 -2 11 12 1 11 22 1 12 26 1 13 14 1 13 23 1 14 25 1 15 19 1 28 15 -2 16 21 1 16 24 1 17 23 1 17 28 1 18 19 1 23 18 -2 26 20 -2 21 28 1 22 27 1 24 26 1 24 27 1 25 27 1 25 28 1', '28 31 H 16.02 -13.39 H 17.25 -11.25 C 19.71 -7.36 C 15.74 -14.16 C 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 19.71 -13.06 O 14.05 -15.46 O 14.74 -8.84 C 13.53 -10.96 C 13.53 -12.38 C 18.48 -8.07 C 17.25 -8.79 C 19.71 -11.67 C 17.25 -13.12 C 19.71 -10.24 O 20.93 -9.53 C 20.93 -10.96 C 13.72 -14.07 C 18.48 -12.38 C 14.74 -10.24 C 19.71 -8.79 C 16.02 -12.38 C 17.25 -10.24 C 14.74 -13.12 C 16.02 -10.96 C 18.48 -10.96 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 21 2 9 20 1 22 10 -2 11 12 1 11 22 1 12 26 1 13 14 1 13 23 1 14 25 1 15 19 1 28 15 -2 16 21 1 16 24 1 17 23 1 17 28 1 18 19 1 23 18 -2 26 20 -2 21 28 1 22 27 1 24 26 1 24 27 1 25 27 1 25 28 1', '28 31 H 16.02 -13.39 H 17.25 -11.25 C:28 19.71 -7.36 C:28 15.74 -14.16 C:9 16.02 -9.53 O 22.14 -11.72 O 12.37 -13.66 O 19.71 -13.06 O 14.05 -15.46 O 14.74 -8.84 C:30 13.53 -10.96 C:36 13.53 -12.38 C:38 18.48 -8.07 C:21 17.25 -8.79 C:35 19.71 -11.67 C:38 17.25 -13.12 C:39 19.71 -10.24 O 20.93 -9.53 C:170 20.93 -10.96 C:179 13.72 -14.07 C:212 18.48 -12.38 C:79 14.74 -10.24 C:80 19.71 -8.79 C:53 16.02 -12.38 C:57 17.25 -10.24 C:43 14.74 -13.12 C:43 16.02 -10.96 C:48 18.48 -10.96 24 1 -1 25 2 -1 3 23 1 26 4 -1 27 5 -2 6 19 2 7 20 2 8 21 2 9 20 1 22 10 -2 11 12 1 11 22 1 12 26 1 13 14 1 13 23 1 14 25 1 15 19 1 28 15 -2 16 21 1 16 24 1 17 23 1 17 28 1 18 19 1 23 18 -2 26 20 -2 21 28 1 22 27 1 24 26 1 24 27 1 25 27 1 25 28 1', 'C20H28O6', 364.226, 'P', 'np08_602_11', 3697, '', '', '1', 47, NULL, NULL),
(14480, '', '4α-Carboxy-1α,7β,11β,13R-tetrahydroxy-13α,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][C@H:7](O)[C@@:8]14[CH2:15][C:16](=O)O[C@@:13]([CH3:17])([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23C[C@H](O)[C@@]14CC(=O)O[C@@](C)(C[C@H](O)[C@@]1([H])[C@]2(C)[C@@H](O)CC[C@@]3(C)C(=O)O)C4', '[H][C@:46]23[CH2:28][C@H:75](O)[C@@:41]14[CH2:39][C:171](=O)O[C@@:81]([CH3:28])([CH2:49][C@H:64](O)[C@@:57]1([H])[C@:47]2([CH3:12])[C@@H:78](O)[CH2:30][CH2:37][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:43]4', '29 32 H 16.01 -13.38 H 17.24 -11.24 C:17 19.69 -7.35 C:18 15.73 -14.15 C:20 16.01 -9.52 O 22.12 -11.71 O 12.36 -13.65 O 14.04 -15.45 O 14.73 -8.83 O 16.01 -8.06 O 19.69 -13.05 C:2 13.52 -10.95 C:3 13.52 -12.37 C:15 19.69 -11.66 C:12 18.47 -8.06 C:6 17.24 -13.11 C:14 19.69 -10.23 O 20.91 -9.52 C:16 20.91 -10.95 C:19 13.71 -14.06 C:1 14.73 -10.23 C:11 17.24 -8.78 C:7 18.47 -12.37 C:13 19.69 -8.78 C:5 16.01 -12.37 C:4 14.73 -13.11 C:9 17.24 -10.23 C:10 16.01 -10.95 C:8 18.47 -10.95 25 1 -1 27 2 -1 3 24 1 26 4 -1 28 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 22 10 -1 23 11 -1 12 13 1 12 21 1 13 26 1 14 19 1 29 14 -2 15 22 1 15 24 1 16 23 1 16 25 1 17 24 1 17 29 1 18 19 1 24 18 -2 26 20 -2 21 28 1 22 27 1 23 29 1 25 26 1 25 28 1 27 28 1 27 29 1', '29 32 H 16.01 -13.38 H 17.24 -11.24 C 19.69 -7.35 C 15.73 -14.15 C 16.01 -9.52 O 22.12 -11.71 O 12.36 -13.65 O 14.04 -15.45 O 14.73 -8.83 O 16.01 -8.06 O 19.69 -13.05 C 13.52 -10.95 C 13.52 -12.37 C 19.69 -11.66 C 18.47 -8.06 C 17.24 -13.11 C 19.69 -10.23 O 20.91 -9.52 C 20.91 -10.95 C 13.71 -14.06 C 14.73 -10.23 C 17.24 -8.78 C 18.47 -12.37 C 19.69 -8.78 C 16.01 -12.37 C 14.73 -13.11 C 17.24 -10.23 C 16.01 -10.95 C 18.47 -10.95 25 1 -1 27 2 -1 3 24 1 26 4 -1 28 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 22 10 -1 23 11 -1 12 13 1 12 21 1 13 26 1 14 19 1 29 14 -2 15 22 1 15 24 1 16 23 1 16 25 1 17 24 1 17 29 1 18 19 1 24 18 -2 26 20 -2 21 28 1 22 27 1 23 29 1 25 26 1 25 28 1 27 28 1 27 29 1', '29 32 H 16.01 -13.38 H 17.24 -11.24 C:28 19.69 -7.35 C:29 15.73 -14.15 C:12 16.01 -9.52 O 22.12 -11.71 O 12.36 -13.65 O 14.04 -15.45 O 14.73 -8.83 O 16.01 -8.06 O 19.69 -13.05 C:30 13.52 -10.95 C:37 13.52 -12.37 C:39 19.69 -11.66 C:49 18.47 -8.06 C:28 17.24 -13.11 C:43 19.69 -10.23 O 20.91 -9.52 C:171 20.91 -10.95 C:180 13.71 -14.06 C:78 14.73 -10.23 C:64 17.24 -8.78 C:75 18.47 -12.37 C:81 19.69 -8.78 C:46 16.01 -12.37 C:44 14.73 -13.11 C:57 17.24 -10.23 C:47 16.01 -10.95 C:41 18.47 -10.95 25 1 -1 27 2 -1 3 24 1 26 4 -1 28 5 -2 6 19 2 7 20 2 8 20 1 21 9 -2 22 10 -1 23 11 -1 12 13 1 12 21 1 13 26 1 14 19 1 29 14 -2 15 22 1 15 24 1 16 23 1 16 25 1 17 24 1 17 29 1 18 19 1 24 18 -2 26 20 -2 21 28 1 22 27 1 23 29 1 25 26 1 25 28 1 27 28 1 27 29 1', 'C20H30O7', 382.226, 'P', 'np08_602_12', 3697, '', '', '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
(14481, 'Jungermatrobrunin A', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:5]45[C@@H:6](O[C:6001]([CH3:6002])=O)[CH:7]=[C:8]1[CH2:14][CH:13]3[C:16](=[CH2:17])[C@:15]2(O)OO[C@:9]1([CH:11]2[CH:12]3O)[C@:10]4([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]5([CH3:18])[CH3:19]', '[H][C@]45[C@@H](OC(C)=O)C=C1CC3C(=C)[C@]2(O)OO[C@]1(C2C3O)[C@]4(C)[C@@H](OC(C)=O)CC[C@@]5(C)C', '[H][C@:48]45[C@@H:67](O[C:170]([CH3:22])=O)[CH:125]=[C:136]1[CH2:40][CH:48]3[C:157](=[CH2:109])[C@:113]2(O)OO[C@:94]1([CH:67]2[CH:74]3O)[C@:44]4([CH3:14])[C@@H:76](O[C:170]([CH3:22])=O)[CH2:25][CH2:42][C@@:35]5([CH3:32])[CH3:25]', '33 37 H 17.09 -13.44 C:17 21.03 -6.15 C:6002 19.52 -16.69 C:1002 14.64 -6.80 C:18 16.81 -14.22 C:19 14.83 -14.12 C:20 17.09 -9.59 O 20.73 -14.59 O 13.43 -8.90 O 19.52 -6.80 O 18.26 -6.15 C:7 19.52 -12.41 C:2 14.64 -11.01 C:3 14.64 -12.41 C:14 20.78 -10.30 O 17.93 -7.64 O 17.63 -8.82 O 18.34 -14.59 O 15.85 -8.90 C:6001 19.52 -15.29 C:1001 14.64 -8.20 C:16 20.30 -7.39 C:8 19.52 -11.01 C:6 18.34 -13.18 C:12 19.52 -8.20 C:1 15.85 -10.30 C:13 20.78 -8.90 C:11 18.34 -8.90 C:4 15.85 -13.18 C:5 17.09 -12.41 C:10 17.09 -11.01 C:15 18.92 -7.39 C:9 18.34 -10.30 30 1 -1 2 22 2 3 20 1 4 21 1 29 5 -1 29 6 -2 31 7 -2 8 20 2 9 21 2 25 10 -1 32 11 -2 12 23 2 12 24 1 13 14 1 13 26 1 14 29 1 15 23 1 15 27 1 16 17 1 16 32 1 33 17 -1 18 20 1 24 18 -2 19 21 1 26 19 -2 22 27 1 22 32 1 23 33 1 24 30 1 25 27 -2 25 28 -2 26 31 1 28 32 1 28 33 1 29 30 1 30 31 1 31 33 1', '33 37 H 17.09 -13.44 C 21.03 -6.15 C 19.52 -16.69 C 14.64 -6.80 C 16.81 -14.22 C 14.83 -14.12 C 17.09 -9.59 O 20.73 -14.59 O 13.43 -8.90 O 19.52 -6.80 O 18.26 -6.15 C 19.52 -12.41 C 14.64 -11.01 C 14.64 -12.41 C 20.78 -10.30 O 17.93 -7.64 O 17.63 -8.82 O 18.34 -14.59 O 15.85 -8.90 C 19.52 -15.29 C 14.64 -8.20 C 20.30 -7.39 C 19.52 -11.01 C 18.34 -13.18 C 19.52 -8.20 C 15.85 -10.30 C 20.78 -8.90 C 18.34 -8.90 C 15.85 -13.18 C 17.09 -12.41 C 17.09 -11.01 C 18.92 -7.39 C 18.34 -10.30 30 1 -1 2 22 2 3 20 1 4 21 1 29 5 -1 29 6 -2 31 7 -2 8 20 2 9 21 2 25 10 -1 32 11 -2 12 23 2 12 24 1 13 14 1 13 26 1 14 29 1 15 23 1 15 27 1 16 17 1 16 32 1 33 17 -1 18 20 1 24 18 -2 19 21 1 26 19 -2 22 27 1 22 32 1 23 33 1 24 30 1 25 27 -2 25 28 -2 26 31 1 28 32 1 28 33 1 29 30 1 30 31 1 31 33 1', '33 37 H 17.09 -13.44 C:109 21.03 -6.15 C:22 19.52 -16.69 C:22 14.64 -6.80 C:32 16.81 -14.22 C:25 14.83 -14.12 C:14 17.09 -9.59 O 20.73 -14.59 O 13.43 -8.90 O 19.52 -6.80 O 18.26 -6.15 C:125 19.52 -12.41 C:25 14.64 -11.01 C:42 14.64 -12.41 C:40 20.78 -10.30 O 17.93 -7.64 O 17.63 -8.82 O 18.34 -14.59 O 15.85 -8.90 C:170 19.52 -15.29 C:170 14.64 -8.20 C:157 20.30 -7.39 C:136 19.52 -11.01 C:67 18.34 -13.18 C:74 19.52 -8.20 C:76 15.85 -10.30 C:48 20.78 -8.90 C:67 18.34 -8.90 C:35 15.85 -13.18 C:48 17.09 -12.41 C:44 17.09 -11.01 C:113 18.92 -7.39 C:94 18.34 -10.30 30 1 -1 2 22 2 3 20 1 4 21 1 29 5 -1 29 6 -2 31 7 -2 8 20 2 9 21 2 25 10 -1 32 11 -2 12 23 2 12 24 1 13 14 1 13 26 1 14 29 1 15 23 1 15 27 1 16 17 1 16 32 1 33 17 -1 18 20 1 24 18 -2 19 21 1 26 19 -2 22 27 1 22 32 1 23 33 1 24 30 1 25 27 -2 25 28 -2 26 31 1 28 32 1 28 33 1 29 30 1 30 31 1 31 33 1', 'C24H32O8', 448.26, 'C+M', 'np08_1418_1', 3698, '', '', '1', 47, NULL, NULL),
(14482, '1α,6α-Diacetoxyjungermannenone C', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:5]34[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C:8]1=[C:9]([C@H:11]2[C:15](=O)[C:16](=[CH2:17])[C@@H:13]([CH2:14]1)[C@@H:12]2O)[C@:10]3([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@:4]4([CH3:19])[CH3:18]', '[H][C@]34[C@@H](OC(C)=O)CC1=C([C@H]2C(=O)C(=C)[C@@H](C1)[C@@H]2O)[C@]3(C)[C@@H](OC(C)=O)CC[C@]4(C)C', '[H][C@:51]34[C@@H:67](O[C:170]([CH3:22])=O)[CH2:38][C:126]1=[C:133]([C@H:53]2[C:200](=O)[C:148](=[CH2:119])[C@@H:45]([CH2:41]1)[C@@H:75]2O)[C@:43]3([CH3:17])[C@@H:79](O[C:171]([CH3:22])=O)[CH2:25][CH2:40][C@:34]4([CH3:23])[CH3:33]', '31 34 H 17.08 -13.40 C:17 21.00 -6.16 C:1002 14.65 -6.81 C:6002 19.50 -16.63 C:19 14.84 -14.08 C:18 16.81 -14.18 C:20 17.08 -9.58 O 13.45 -8.89 O 20.70 -14.55 O 18.25 -6.16 O 19.50 -6.81 C:2 14.65 -10.99 C:3 14.65 -12.38 C:14 20.75 -10.28 C:7 19.50 -12.38 O 15.85 -8.89 O 18.33 -14.55 C:1001 14.65 -8.20 C:6001 19.50 -15.24 C:16 20.27 -7.39 C:15 18.90 -7.39 C:8 19.50 -10.99 C:9 18.33 -10.28 C:13 20.75 -8.89 C:12 19.50 -8.20 C:1 15.85 -10.28 C:6 18.33 -13.15 C:11 18.33 -8.89 C:4 15.85 -13.15 C:5 17.08 -12.38 C:10 17.08 -10.99 30 1 -1 2 20 2 3 18 1 4 19 1 29 5 -2 29 6 -1 31 7 -2 8 18 2 9 19 2 10 21 2 25 11 -1 12 13 1 12 26 1 13 29 1 14 22 1 14 24 1 15 22 1 15 27 1 16 18 1 26 16 -2 17 19 1 27 17 -2 20 21 1 24 20 -1 28 21 -1 22 23 2 23 28 1 23 31 1 24 25 1 25 28 1 26 31 1 27 30 1 29 30 1 30 31 1', '31 34 H 17.08 -13.40 C 21.00 -6.16 C 14.65 -6.81 C 19.50 -16.63 C 14.84 -14.08 C 16.81 -14.18 C 17.08 -9.58 O 13.45 -8.89 O 20.70 -14.55 O 18.25 -6.16 O 19.50 -6.81 C 14.65 -10.99 C 14.65 -12.38 C 20.75 -10.28 C 19.50 -12.38 O 15.85 -8.89 O 18.33 -14.55 C 14.65 -8.20 C 19.50 -15.24 C 20.27 -7.39 C 18.90 -7.39 C 19.50 -10.99 C 18.33 -10.28 C 20.75 -8.89 C 19.50 -8.20 C 15.85 -10.28 C 18.33 -13.15 C 18.33 -8.89 C 15.85 -13.15 C 17.08 -12.38 C 17.08 -10.99 30 1 -1 2 20 2 3 18 1 4 19 1 29 5 -2 29 6 -1 31 7 -2 8 18 2 9 19 2 10 21 2 25 11 -1 12 13 1 12 26 1 13 29 1 14 22 1 14 24 1 15 22 1 15 27 1 16 18 1 26 16 -2 17 19 1 27 17 -2 20 21 1 24 20 -1 28 21 -1 22 23 2 23 28 1 23 31 1 24 25 1 25 28 1 26 31 1 27 30 1 29 30 1 30 31 1', '31 34 H 17.08 -13.40 C:119 21.00 -6.16 C:22 14.65 -6.81 C:22 19.50 -16.63 C:23 14.84 -14.08 C:33 16.81 -14.18 C:17 17.08 -9.58 O 13.45 -8.89 O 20.70 -14.55 O 18.25 -6.16 O 19.50 -6.81 C:25 14.65 -10.99 C:40 14.65 -12.38 C:41 20.75 -10.28 C:38 19.50 -12.38 O 15.85 -8.89 O 18.33 -14.55 C:171 14.65 -8.20 C:170 19.50 -15.24 C:148 20.27 -7.39 C:200 18.90 -7.39 C:126 19.50 -10.99 C:133 18.33 -10.28 C:45 20.75 -8.89 C:75 19.50 -8.20 C:79 15.85 -10.28 C:67 18.33 -13.15 C:53 18.33 -8.89 C:34 15.85 -13.15 C:51 17.08 -12.38 C:43 17.08 -10.99 30 1 -1 2 20 2 3 18 1 4 19 1 29 5 -2 29 6 -1 31 7 -2 8 18 2 9 19 2 10 21 2 25 11 -1 12 13 1 12 26 1 13 29 1 14 22 1 14 24 1 15 22 1 15 27 1 16 18 1 26 16 -2 17 19 1 27 17 -2 20 21 1 24 20 -1 28 21 -1 22 23 2 23 28 1 23 31 1 24 25 1 25 28 1 26 31 1 27 30 1 29 30 1 30 31 1', 'C24H32O6', 416.261, 'C+M', 'np08_1418_2', 3698, '', '', '1', 47, NULL, NULL),
(14483, '1α-Acetoxy-6α-hydroxyjungermannenone C', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:5]34[C@@H:6](O)[CH2:7][C:8]1=[C:9]([C@H:11]2[C:15](=O)[C:16](=[CH2:17])[C@@H:13]([CH2:14]1)[C@@H:12]2O)[C@:10]3([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]4([CH3:18])[CH3:19]', '[H][C@]34[C@@H](O)CC1=C([C@H]2C(=O)C(=C)[C@@H](C1)[C@@H]2O)[C@]3(C)[C@@H](OC(C)=O)CC[C@@]4(C)C', '[H][C@:54]34[C@@H:65](O)[CH2:44][C:128]1=[C:134]([C@H:53]2[C:202](=O)[C:152](=[CH2:117])[C@@H:46]([CH2:42]1)[C@@H:75]2O)[C@:42]3([CH3:17])[C@@H:80](O[C:170]([CH3:22])=O)[CH2:25][CH2:41][C@@:34]4([CH3:34])[CH3:24]', '28 31 H 17.12 -14.45 C:17 21.03 -7.22 C:1002 14.69 -7.85 C:18 16.85 -15.22 C:19 14.88 -15.12 C:20 17.12 -10.63 O 13.49 -9.94 O 18.29 -7.22 O 18.37 -15.60 O 19.53 -7.85 C:2 14.69 -12.04 C:3 14.69 -13.43 C:7 19.53 -13.43 C:14 20.78 -11.33 O 15.89 -9.94 C:1001 14.69 -9.24 C:16 20.30 -8.43 C:15 18.93 -8.43 C:8 19.53 -12.04 C:9 18.37 -11.33 C:6 18.37 -14.20 C:13 20.78 -9.94 C:12 19.53 -9.24 C:1 15.89 -11.33 C:11 18.37 -9.94 C:4 15.89 -14.20 C:5 17.12 -13.43 C:10 17.12 -12.04 27 1 -1 2 17 2 3 16 1 26 4 -1 26 5 -2 28 6 -2 7 16 2 8 18 2 21 9 -2 23 10 -1 11 12 1 11 24 1 12 26 1 13 19 1 13 21 1 14 19 1 14 22 1 15 16 1 24 15 -2 17 18 1 22 17 -1 25 18 -1 19 20 2 20 25 1 20 28 1 21 27 1 22 23 1 23 25 1 24 28 1 26 27 1 27 28 1', '28 31 H 17.12 -14.45 C 21.03 -7.22 C 14.69 -7.85 C 16.85 -15.22 C 14.88 -15.12 C 17.12 -10.63 O 13.49 -9.94 O 18.29 -7.22 O 18.37 -15.60 O 19.53 -7.85 C 14.69 -12.04 C 14.69 -13.43 C 19.53 -13.43 C 20.78 -11.33 O 15.89 -9.94 C 14.69 -9.24 C 20.30 -8.43 C 18.93 -8.43 C 19.53 -12.04 C 18.37 -11.33 C 18.37 -14.20 C 20.78 -9.94 C 19.53 -9.24 C 15.89 -11.33 C 18.37 -9.94 C 15.89 -14.20 C 17.12 -13.43 C 17.12 -12.04 27 1 -1 2 17 2 3 16 1 26 4 -1 26 5 -2 28 6 -2 7 16 2 8 18 2 21 9 -2 23 10 -1 11 12 1 11 24 1 12 26 1 13 19 1 13 21 1 14 19 1 14 22 1 15 16 1 24 15 -2 17 18 1 22 17 -1 25 18 -1 19 20 2 20 25 1 20 28 1 21 27 1 22 23 1 23 25 1 24 28 1 26 27 1 27 28 1', '28 31 H 17.12 -14.45 C:117 21.03 -7.22 C:22 14.69 -7.85 C:34 16.85 -15.22 C:24 14.88 -15.12 C:17 17.12 -10.63 O 13.49 -9.94 O 18.29 -7.22 O 18.37 -15.60 O 19.53 -7.85 C:25 14.69 -12.04 C:41 14.69 -13.43 C:44 19.53 -13.43 C:42 20.78 -11.33 O 15.89 -9.94 C:170 14.69 -9.24 C:152 20.30 -8.43 C:202 18.93 -8.43 C:128 19.53 -12.04 C:134 18.37 -11.33 C:65 18.37 -14.20 C:46 20.78 -9.94 C:75 19.53 -9.24 C:80 15.89 -11.33 C:53 18.37 -9.94 C:34 15.89 -14.20 C:54 17.12 -13.43 C:42 17.12 -12.04 27 1 -1 2 17 2 3 16 1 26 4 -1 26 5 -2 28 6 -2 7 16 2 8 18 2 21 9 -2 23 10 -1 11 12 1 11 24 1 12 26 1 13 19 1 13 21 1 14 19 1 14 22 1 15 16 1 24 15 -2 17 18 1 22 17 -1 25 18 -1 19 20 2 20 25 1 20 28 1 21 27 1 22 23 1 23 25 1 24 28 1 26 27 1 27 28 1', 'C22H30O5', 374.24, 'C+M', 'np08_1418_3', 3698, '', '', '1', 47, NULL, NULL),
(14484, '', '1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]34[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@:8]12[CH2:14][C@@H:13]([C:16](=[CH2:17])[C:15]1=O)[C:12](=O)[CH:11]=[C:9]2[C@:10]3([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@:4]4([CH3:19])[CH3:18]', '[H][C@]34[C@@H](OC(C)=O)C[C@]12C[C@@H](C(=C)C1=O)C(=O)C=C2[C@]3(C)[C@@H](OC(C)=O)CC[C@]4(C)C', '[H][C@:48]34[C@@H:68](O[C:170]([CH3:21])=O)[CH2:35][C@:53]12[CH2:45][C@@H:52]([C:138](=[CH2:122])[C:201]1=O)[C:197](=O)[CH:125]=[C:170]2[C@:44]3([CH3:19])[C@@H:79](O[C:171]([CH3:21])=O)[CH2:25][CH2:40][C@:34]4([CH3:24])[CH3:32]', '31 34 H 16.01 -13.11 C:17 22.13 -9.34 C:1002 13.57 -6.52 C:6002 18.41 -16.30 C:19 13.76 -13.77 C:18 15.73 -13.86 C:20 16.01 -9.34 O 12.35 -8.59 O 19.62 -14.22 O 18.41 -6.52 O 20.55 -12.27 C:11 17.22 -8.59 C:2 13.57 -10.74 C:3 13.57 -12.11 C:14 19.62 -10.03 C:7 18.41 -12.11 O 14.76 -8.63 O 17.22 -14.22 C:1001 13.57 -7.92 C:6001 18.41 -14.91 C:16 20.77 -9.62 C:12 18.41 -7.92 C:15 19.98 -11.01 C:9 17.22 -10.03 C:13 19.62 -8.59 C:1 14.76 -10.03 C:6 17.22 -12.85 C:4 14.76 -12.85 C:5 16.01 -12.11 C:8 18.41 -10.74 C:10 16.01 -10.74 29 1 -1 2 21 2 3 19 1 4 20 1 28 5 -2 28 6 -1 31 7 -2 8 19 2 9 20 2 10 22 2 11 23 2 12 22 1 12 24 2 13 14 1 13 26 1 14 28 1 25 15 -2 30 15 -2 16 27 1 16 30 1 17 19 1 26 17 -2 18 20 1 27 18 -2 21 23 1 21 25 1 22 25 1 23 30 1 24 30 1 24 31 1 26 31 1 27 29 1 28 29 1 29 31 1', '31 34 H 16.01 -13.11 C 22.13 -9.34 C 13.57 -6.52 C 18.41 -16.30 C 13.76 -13.77 C 15.73 -13.86 C 16.01 -9.34 O 12.35 -8.59 O 19.62 -14.22 O 18.41 -6.52 O 20.55 -12.27 C 17.22 -8.59 C 13.57 -10.74 C 13.57 -12.11 C 19.62 -10.03 C 18.41 -12.11 O 14.76 -8.63 O 17.22 -14.22 C 13.57 -7.92 C 18.41 -14.91 C 20.77 -9.62 C 18.41 -7.92 C 19.98 -11.01 C 17.22 -10.03 C 19.62 -8.59 C 14.76 -10.03 C 17.22 -12.85 C 14.76 -12.85 C 16.01 -12.11 C 18.41 -10.74 C 16.01 -10.74 29 1 -1 2 21 2 3 19 1 4 20 1 28 5 -2 28 6 -1 31 7 -2 8 19 2 9 20 2 10 22 2 11 23 2 12 22 1 12 24 2 13 14 1 13 26 1 14 28 1 25 15 -2 30 15 -2 16 27 1 16 30 1 17 19 1 26 17 -2 18 20 1 27 18 -2 21 23 1 21 25 1 22 25 1 23 30 1 24 30 1 24 31 1 26 31 1 27 29 1 28 29 1 29 31 1', '31 34 H 16.01 -13.11 C:122 22.13 -9.34 C:21 13.57 -6.52 C:21 18.41 -16.30 C:24 13.76 -13.77 C:32 15.73 -13.86 C:19 16.01 -9.34 O 12.35 -8.59 O 19.62 -14.22 O 18.41 -6.52 O 20.55 -12.27 C:125 17.22 -8.59 C:25 13.57 -10.74 C:40 13.57 -12.11 C:45 19.62 -10.03 C:35 18.41 -12.11 O 14.76 -8.63 O 17.22 -14.22 C:171 13.57 -7.92 C:170 18.41 -14.91 C:138 20.77 -9.62 C:197 18.41 -7.92 C:201 19.98 -11.01 C:170 17.22 -10.03 C:52 19.62 -8.59 C:79 14.76 -10.03 C:68 17.22 -12.85 C:34 14.76 -12.85 C:48 16.01 -12.11 C:53 18.41 -10.74 C:44 16.01 -10.74 29 1 -1 2 21 2 3 19 1 4 20 1 28 5 -2 28 6 -1 31 7 -2 8 19 2 9 20 2 10 22 2 11 23 2 12 22 1 12 24 2 13 14 1 13 26 1 14 28 1 25 15 -2 30 15 -2 16 27 1 16 30 1 17 19 1 26 17 -2 18 20 1 27 18 -2 21 23 1 21 25 1 22 25 1 23 30 1 24 30 1 24 31 1 26 31 1 27 29 1 28 29 1 29 31 1', 'C24H30O6', 414.261, 'C+M', 'np08_1418_4', 3698, '', '', '1', 47, NULL, NULL),
(14485, '', '16R-1α,6β-Diacetoxy-ent-9(11)-kauren-12,15-dione', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@:8]14[CH2:14][C@H:13]([C:12](=O)[CH:11]=[C:9]1[C@:10]2([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@@H:16]([CH3:17])[C:15]4=O', '[H][C@]23[C@@H](OC(C)=O)C[C@@]14C[C@H](C(=O)C=C1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]3(C)C)[C@@H](C)C4=O', '[H][C@:48]23[C@@H:68](O[C:171]([CH3:21])=O)[CH2:35][C@@:53]14[CH2:46][C@H:50]([C:200](=O)[CH:126]=[C:170]1[C@:44]2([CH3:19])[C@@H:79](O[C:171]([CH3:21])=O)[CH2:25][CH2:44][C@@:34]3([CH3:32])[CH3:24])[C@@H:42]([CH3:14])[C:213]4=O', '31 34 H 16.01 -13.11 C:1002 13.57 -6.52 C:6002 18.41 -16.30 C:17 22.13 -9.34 C:18 15.73 -13.86 C:19 13.76 -13.77 C:20 16.01 -9.34 O 12.35 -8.59 O 19.62 -14.22 O 18.41 -6.52 O 20.55 -12.27 C:11 17.22 -8.59 C:2 13.57 -10.74 C:3 13.57 -12.12 C:7 18.41 -12.12 C:14 19.62 -10.03 O 14.76 -8.59 O 17.22 -14.22 C:1001 13.57 -7.92 C:6001 18.41 -14.91 C:12 18.41 -7.92 C:15 19.98 -11.01 C:9 17.22 -10.03 C:16 20.77 -9.62 C:1 14.76 -10.03 C:6 17.22 -12.85 C:13 19.62 -8.59 C:4 14.76 -12.85 C:5 16.01 -12.12 C:10 16.01 -10.74 C:8 18.41 -10.74 29 1 -1 2 19 1 3 20 1 24 4 -1 28 5 -1 28 6 -2 30 7 -2 8 19 2 9 20 2 10 21 2 11 22 2 12 21 1 12 23 2 13 14 1 13 25 1 14 28 1 15 26 1 15 31 1 27 16 -2 31 16 -2 17 19 1 25 17 -2 18 20 1 26 18 -2 21 27 1 22 24 1 22 31 1 23 30 1 23 31 1 24 27 1 25 30 1 26 29 1 28 29 1 29 30 1', '31 34 H 16.01 -13.11 C 13.57 -6.52 C 18.41 -16.30 C 22.13 -9.34 C 15.73 -13.86 C 13.76 -13.77 C 16.01 -9.34 O 12.35 -8.59 O 19.62 -14.22 O 18.41 -6.52 O 20.55 -12.27 C 17.22 -8.59 C 13.57 -10.74 C 13.57 -12.12 C 18.41 -12.12 C 19.62 -10.03 O 14.76 -8.59 O 17.22 -14.22 C 13.57 -7.92 C 18.41 -14.91 C 18.41 -7.92 C 19.98 -11.01 C 17.22 -10.03 C 20.77 -9.62 C 14.76 -10.03 C 17.22 -12.85 C 19.62 -8.59 C 14.76 -12.85 C 16.01 -12.12 C 16.01 -10.74 C 18.41 -10.74 29 1 -1 2 19 1 3 20 1 24 4 -1 28 5 -1 28 6 -2 30 7 -2 8 19 2 9 20 2 10 21 2 11 22 2 12 21 1 12 23 2 13 14 1 13 25 1 14 28 1 15 26 1 15 31 1 27 16 -2 31 16 -2 17 19 1 25 17 -2 18 20 1 26 18 -2 21 27 1 22 24 1 22 31 1 23 30 1 23 31 1 24 27 1 25 30 1 26 29 1 28 29 1 29 30 1', '31 34 H 16.01 -13.11 C:21 13.57 -6.52 C:21 18.41 -16.30 C:14 22.13 -9.34 C:32 15.73 -13.86 C:24 13.76 -13.77 C:19 16.01 -9.34 O 12.35 -8.59 O 19.62 -14.22 O 18.41 -6.52 O 20.55 -12.27 C:126 17.22 -8.59 C:25 13.57 -10.74 C:44 13.57 -12.12 C:35 18.41 -12.12 C:46 19.62 -10.03 O 14.76 -8.59 O 17.22 -14.22 C:171 13.57 -7.92 C:171 18.41 -14.91 C:200 18.41 -7.92 C:213 19.98 -11.01 C:170 17.22 -10.03 C:42 20.77 -9.62 C:79 14.76 -10.03 C:68 17.22 -12.85 C:50 19.62 -8.59 C:34 14.76 -12.85 C:48 16.01 -12.12 C:44 16.01 -10.74 C:53 18.41 -10.74 29 1 -1 2 19 1 3 20 1 24 4 -1 28 5 -1 28 6 -2 30 7 -2 8 19 2 9 20 2 10 21 2 11 22 2 12 21 1 12 23 2 13 14 1 13 25 1 14 28 1 15 26 1 15 31 1 27 16 -2 31 16 -2 17 19 1 25 17 -2 18 20 1 26 18 -2 21 27 1 22 24 1 22 31 1 23 30 1 23 31 1 24 27 1 25 30 1 26 29 1 28 29 1 29 30 1', 'C24H32O6', 416.261, 'C+M', 'np08_1418_5', 3698, '', '', '1', 47, NULL, NULL),
(14486, '', '12β-Hydroxy-1α,6α-diacetoxy-ent-kaura-9(11),16-dien-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]34[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@:8]12[CH2:14][C@@H:13]([C:16](=[CH2:17])[C:15]1=O)[C@H:12](O)[CH:11]=[C:9]2[C@:10]3([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@:4]4([CH3:19])[CH3:18]', '[H][C@]34[C@@H](OC(C)=O)C[C@]12C[C@@H](C(=C)C1=O)[C@H](O)C=C2[C@]3(C)[C@@H](OC(C)=O)CC[C@]4(C)C', '[H][C@:49]34[C@@H:69](O[C:170]([CH3:22])=O)[CH2:35][C@:50]12[CH2:42][C@@H:43]([C:143](=[CH2:119])[C:203]1=O)[C@H:70](O)[CH:128]=[C:148]2[C@:43]3([CH3:20])[C@@H:79](O[C:171]([CH3:22])=O)[CH2:26][CH2:40][C@:34]4([CH3:23])[CH3:33]', '31 34 H 16.01 -13.11 C:17 22.13 -9.34 C:1002 13.57 -6.52 C:6002 18.41 -16.30 C:19 13.76 -13.77 C:18 15.73 -13.86 C:20 16.01 -9.34 O 12.37 -8.59 O 19.62 -14.22 O 20.55 -12.29 O 18.41 -6.52 C:11 17.22 -8.59 C:2 13.57 -10.74 C:3 13.57 -12.14 C:7 18.41 -12.14 C:14 19.62 -10.03 O 14.76 -8.59 O 17.22 -14.22 C:1001 13.57 -7.92 C:6001 18.41 -14.91 C:16 20.77 -9.62 C:15 19.98 -11.01 C:9 17.22 -10.03 C:12 18.41 -7.92 C:1 14.76 -10.03 C:6 17.22 -12.85 C:13 19.62 -8.59 C:4 14.76 -12.85 C:5 16.01 -12.14 C:10 16.01 -10.74 C:8 18.41 -10.74 29 1 -1 2 21 2 3 19 1 4 20 1 28 5 -2 28 6 -1 30 7 -2 8 19 2 9 20 2 10 22 2 24 11 -1 12 23 2 12 24 1 13 14 1 13 25 1 14 28 1 15 26 1 15 31 1 27 16 -2 31 16 -2 17 19 1 25 17 -2 18 20 1 26 18 -2 21 22 1 21 27 1 22 31 1 23 30 1 23 31 1 24 27 1 25 30 1 26 29 1 28 29 1 29 30 1', '31 34 H 16.01 -13.11 C 22.13 -9.34 C 13.57 -6.52 C 18.41 -16.30 C 13.76 -13.77 C 15.73 -13.86 C 16.01 -9.34 O 12.37 -8.59 O 19.62 -14.22 O 20.55 -12.29 O 18.41 -6.52 C 17.22 -8.59 C 13.57 -10.74 C 13.57 -12.14 C 18.41 -12.14 C 19.62 -10.03 O 14.76 -8.59 O 17.22 -14.22 C 13.57 -7.92 C 18.41 -14.91 C 20.77 -9.62 C 19.98 -11.01 C 17.22 -10.03 C 18.41 -7.92 C 14.76 -10.03 C 17.22 -12.85 C 19.62 -8.59 C 14.76 -12.85 C 16.01 -12.14 C 16.01 -10.74 C 18.41 -10.74 29 1 -1 2 21 2 3 19 1 4 20 1 28 5 -2 28 6 -1 30 7 -2 8 19 2 9 20 2 10 22 2 24 11 -1 12 23 2 12 24 1 13 14 1 13 25 1 14 28 1 15 26 1 15 31 1 27 16 -2 31 16 -2 17 19 1 25 17 -2 18 20 1 26 18 -2 21 22 1 21 27 1 22 31 1 23 30 1 23 31 1 24 27 1 25 30 1 26 29 1 28 29 1 29 30 1', '31 34 H 16.01 -13.11 C:119 22.13 -9.34 C:22 13.57 -6.52 C:22 18.41 -16.30 C:23 13.76 -13.77 C:33 15.73 -13.86 C:20 16.01 -9.34 O 12.37 -8.59 O 19.62 -14.22 O 20.55 -12.29 O 18.41 -6.52 C:128 17.22 -8.59 C:26 13.57 -10.74 C:40 13.57 -12.14 C:35 18.41 -12.14 C:42 19.62 -10.03 O 14.76 -8.59 O 17.22 -14.22 C:171 13.57 -7.92 C:170 18.41 -14.91 C:143 20.77 -9.62 C:203 19.98 -11.01 C:148 17.22 -10.03 C:70 18.41 -7.92 C:79 14.76 -10.03 C:69 17.22 -12.85 C:43 19.62 -8.59 C:34 14.76 -12.85 C:49 16.01 -12.14 C:43 16.01 -10.74 C:50 18.41 -10.74 29 1 -1 2 21 2 3 19 1 4 20 1 28 5 -2 28 6 -1 30 7 -2 8 19 2 9 20 2 10 22 2 24 11 -1 12 23 2 12 24 1 13 14 1 13 25 1 14 28 1 15 26 1 15 31 1 27 16 -2 31 16 -2 17 19 1 25 17 -2 18 20 1 26 18 -2 21 22 1 21 27 1 22 31 1 23 30 1 23 31 1 24 27 1 25 30 1 26 29 1 28 29 1 29 30 1', 'C24H32O6', 416.261, 'C+M', 'np08_1418_6', 3698, '', '', '1', 47, NULL, NULL),
(14487, '', '1α,12β-Dihydroxy-6α-acetoxy-ent-kaura-9(11),16-dien-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]34[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@:8]12[CH2:14][C@@H:13]([C:16](=[CH2:17])[C:15]1=O)[C@H:12](O)[CH:11]=[C:9]2[C@:10]3([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]4([CH3:18])[CH3:19]', '[H][C@]34[C@@H](OC(C)=O)C[C@]12C[C@@H](C(=C)C1=O)[C@H](O)C=C2[C@]3(C)[C@@H](O)CC[C@@]4(C)C', '[H][C@:48]34[C@@H:68](O[C:170]([CH3:22])=O)[CH2:34][C@:51]12[CH2:45][C@@H:45]([C:146](=[CH2:121])[C:205]1=O)[C@H:71](O)[CH:128]=[C:150]2[C@:45]3([CH3:20])[C@@H:79](O)[CH2:30][CH2:43][C@@:35]4([CH3:32])[CH3:25]', '28 31 H 15.39 -13.10 C:17 21.50 -9.34 C:6002 17.78 -16.29 C:18 15.11 -13.85 C:19 13.14 -13.76 C:20 15.39 -9.34 O 18.99 -14.21 O 19.92 -12.27 O 17.78 -6.52 O 14.14 -8.59 C:11 16.59 -8.59 C:2 12.95 -10.74 C:3 12.95 -12.12 C:7 17.78 -12.12 C:14 18.99 -10.03 O 16.59 -14.21 C:6001 17.78 -14.90 C:16 20.14 -9.62 C:15 19.35 -11.01 C:9 16.59 -10.03 C:12 17.78 -7.92 C:1 14.14 -10.03 C:6 16.59 -12.83 C:13 18.99 -8.59 C:4 14.14 -12.83 C:5 15.39 -12.12 C:10 15.39 -10.74 C:8 17.78 -10.74 26 1 -1 2 18 2 3 17 1 25 4 -1 25 5 -2 27 6 -2 7 17 2 8 19 2 21 9 -1 22 10 -2 11 20 2 11 21 1 12 13 1 12 22 1 13 25 1 14 23 1 14 28 1 24 15 -2 28 15 -2 16 17 1 23 16 -2 18 19 1 18 24 1 19 28 1 20 27 1 20 28 1 21 24 1 22 27 1 23 26 1 25 26 1 26 27 1', '28 31 H 15.39 -13.10 C 21.50 -9.34 C 17.78 -16.29 C 15.11 -13.85 C 13.14 -13.76 C 15.39 -9.34 O 18.99 -14.21 O 19.92 -12.27 O 17.78 -6.52 O 14.14 -8.59 C 16.59 -8.59 C 12.95 -10.74 C 12.95 -12.12 C 17.78 -12.12 C 18.99 -10.03 O 16.59 -14.21 C 17.78 -14.90 C 20.14 -9.62 C 19.35 -11.01 C 16.59 -10.03 C 17.78 -7.92 C 14.14 -10.03 C 16.59 -12.83 C 18.99 -8.59 C 14.14 -12.83 C 15.39 -12.12 C 15.39 -10.74 C 17.78 -10.74 26 1 -1 2 18 2 3 17 1 25 4 -1 25 5 -2 27 6 -2 7 17 2 8 19 2 21 9 -1 22 10 -2 11 20 2 11 21 1 12 13 1 12 22 1 13 25 1 14 23 1 14 28 1 24 15 -2 28 15 -2 16 17 1 23 16 -2 18 19 1 18 24 1 19 28 1 20 27 1 20 28 1 21 24 1 22 27 1 23 26 1 25 26 1 26 27 1', '28 31 H 15.39 -13.10 C:121 21.50 -9.34 C:22 17.78 -16.29 C:32 15.11 -13.85 C:25 13.14 -13.76 C:20 15.39 -9.34 O 18.99 -14.21 O 19.92 -12.27 O 17.78 -6.52 O 14.14 -8.59 C:128 16.59 -8.59 C:30 12.95 -10.74 C:43 12.95 -12.12 C:34 17.78 -12.12 C:45 18.99 -10.03 O 16.59 -14.21 C:170 17.78 -14.90 C:146 20.14 -9.62 C:205 19.35 -11.01 C:150 16.59 -10.03 C:71 17.78 -7.92 C:79 14.14 -10.03 C:68 16.59 -12.83 C:45 18.99 -8.59 C:35 14.14 -12.83 C:48 15.39 -12.12 C:45 15.39 -10.74 C:51 17.78 -10.74 26 1 -1 2 18 2 3 17 1 25 4 -1 25 5 -2 27 6 -2 7 17 2 8 19 2 21 9 -1 22 10 -2 11 20 2 11 21 1 12 13 1 12 22 1 13 25 1 14 23 1 14 28 1 24 15 -2 28 15 -2 16 17 1 23 16 -2 18 19 1 18 24 1 19 28 1 20 27 1 20 28 1 21 24 1 22 27 1 23 26 1 25 26 1 26 27 1', 'C22H30O5', 374.24, 'C+M', 'np08_1418_7', 3698, '', '', '1', 47, NULL, NULL),
(14488, '', '6α-Hydroxy-15β-acetoxy-ent-kaura-9(11),16-diene', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O)[CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH:11]=[C:9]1[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][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[C@@]14C[C@H](CC=C1[C@]2(C)CCC[C@@]3(C)C)C(=C)[C@H]4OC(C)=O', '[H][C@:49]23[C@@H:66](O)[CH2:41][C@@:43]14[CH2:41][C@H:38]([CH2:38][CH:117]=[C:153]1[C@:39]2([CH3:27])[CH2:41][CH2:19][CH2:45][C@@:34]3([CH3:32])[CH3:24])[C:156](=[CH2:108])[C@H:86]4O[C:171]([CH3:21])=O', '26 29 H 15.13 -13.47 C:17 21.23 -9.71 C:15002 21.75 -13.86 C:18 14.85 -14.22 C:19 12.89 -14.13 C:20 15.13 -9.71 O 21.75 -11.38 O 16.33 -14.58 C:11 16.33 -8.97 C:2 12.70 -11.11 C:12 17.52 -8.30 C:3 12.70 -12.50 C:1 13.89 -10.40 C:7 17.52 -12.50 C:14 18.73 -10.40 O 19.66 -12.65 C:15001 21.06 -12.65 C:16 19.88 -9.99 C:9 16.33 -10.40 C:6 16.33 -13.21 C:13 18.73 -8.97 C:15 19.09 -11.38 C:4 13.89 -13.21 C:5 15.13 -12.50 C:10 15.13 -11.11 C:8 17.52 -11.11 24 1 -1 2 18 2 3 17 1 23 4 -1 23 5 -2 25 6 -2 7 17 2 20 8 -2 9 11 1 9 19 2 10 12 1 10 13 1 11 21 1 12 23 1 13 25 1 14 20 1 14 26 1 21 15 -2 26 15 -2 16 17 1 22 16 -1 18 21 1 18 22 1 19 25 1 19 26 1 20 24 1 22 26 1 23 24 1 24 25 1', '26 29 H 15.13 -13.47 C 21.23 -9.71 C 21.75 -13.86 C 14.85 -14.22 C 12.89 -14.13 C 15.13 -9.71 O 21.75 -11.38 O 16.33 -14.58 C 16.33 -8.97 C 12.70 -11.11 C 17.52 -8.30 C 12.70 -12.50 C 13.89 -10.40 C 17.52 -12.50 C 18.73 -10.40 O 19.66 -12.65 C 21.06 -12.65 C 19.88 -9.99 C 16.33 -10.40 C 16.33 -13.21 C 18.73 -8.97 C 19.09 -11.38 C 13.89 -13.21 C 15.13 -12.50 C 15.13 -11.11 C 17.52 -11.11 24 1 -1 2 18 2 3 17 1 23 4 -1 23 5 -2 25 6 -2 7 17 2 20 8 -2 9 11 1 9 19 2 10 12 1 10 13 1 11 21 1 12 23 1 13 25 1 14 20 1 14 26 1 21 15 -2 26 15 -2 16 17 1 22 16 -1 18 21 1 18 22 1 19 25 1 19 26 1 20 24 1 22 26 1 23 24 1 24 25 1', '26 29 H 15.13 -13.47 C:108 21.23 -9.71 C:21 21.75 -13.86 C:32 14.85 -14.22 C:24 12.89 -14.13 C:27 15.13 -9.71 O 21.75 -11.38 O 16.33 -14.58 C:117 16.33 -8.97 C:19 12.70 -11.11 C:38 17.52 -8.30 C:45 12.70 -12.50 C:41 13.89 -10.40 C:41 17.52 -12.50 C:41 18.73 -10.40 O 19.66 -12.65 C:171 21.06 -12.65 C:156 19.88 -9.99 C:153 16.33 -10.40 C:66 16.33 -13.21 C:38 18.73 -8.97 C:86 19.09 -11.38 C:34 13.89 -13.21 C:49 15.13 -12.50 C:39 15.13 -11.11 C:43 17.52 -11.11 24 1 -1 2 18 2 3 17 1 23 4 -1 23 5 -2 25 6 -2 7 17 2 20 8 -2 9 11 1 9 19 2 10 12 1 10 13 1 11 21 1 12 23 1 13 25 1 14 20 1 14 26 1 21 15 -2 26 15 -2 16 17 1 22 16 -1 18 21 1 18 22 1 19 25 1 19 26 1 20 24 1 22 26 1 23 24 1 24 25 1', 'C22H32O3', 344.242, 'C+M', 'np08_1418_8', 3698, '', '', '1', 47, NULL, NULL),
(14489, '', '6α,15β-Diacetoxy-ent-kaura-9(11),16-diene', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH:11]=[C:9]1[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C@H:15]4O[C:15001]([CH3:15002])=O', '[H][C@]23[C@@H](OC(C)=O)C[C@@]14C[C@H](CC=C1[C@]2(C)CCC[C@]3(C)C)C(=C)[C@H]4OC(C)=O', '[H][C@:48]23[C@@H:69](O[C:170]([CH3:22])=O)[CH2:38][C@@:43]14[CH2:42][C@H:38]([CH2:39][CH:118]=[C:153]1[C@:38]2([CH3:24])[CH2:42][CH2:19][CH2:45][C@:34]3([CH3:24])[CH3:33])[C:156](=[CH2:109])[C@H:87]4O[C:170]([CH3:22])=O', '29 32 H 15.19 -12.38 C:17 21.27 -8.63 C:6002 17.60 -15.59 C:15002 21.79 -12.77 C:19 12.94 -13.04 C:18 14.91 -13.13 C:20 15.19 -8.63 O 18.81 -13.49 O 21.79 -10.29 C:11 16.39 -7.89 C:2 12.75 -10.02 C:12 17.60 -7.23 C:3 12.75 -11.42 C:1 13.94 -9.31 C:14 18.81 -9.31 C:7 17.60 -11.42 O 16.39 -13.49 O 19.71 -11.57 C:6001 17.60 -14.19 C:15001 21.10 -11.57 C:16 19.92 -8.91 C:9 16.39 -9.31 C:13 18.81 -7.89 C:6 16.39 -12.11 C:15 19.14 -10.29 C:4 13.94 -12.11 C:10 15.19 -10.02 C:5 15.19 -11.42 C:8 17.60 -10.02 28 1 -1 2 21 2 3 19 1 4 20 1 26 5 -2 26 6 -1 27 7 -2 8 19 2 9 20 2 10 12 1 10 22 2 11 13 1 11 14 1 12 23 1 13 26 1 14 27 1 23 15 -2 29 15 -2 16 24 1 16 29 1 17 19 1 24 17 -2 18 20 1 25 18 -1 21 23 1 21 25 1 22 27 1 22 29 1 24 28 1 25 29 1 26 28 1 27 28 1', '29 32 H 15.19 -12.38 C 21.27 -8.63 C 17.60 -15.59 C 21.79 -12.77 C 12.94 -13.04 C 14.91 -13.13 C 15.19 -8.63 O 18.81 -13.49 O 21.79 -10.29 C 16.39 -7.89 C 12.75 -10.02 C 17.60 -7.23 C 12.75 -11.42 C 13.94 -9.31 C 18.81 -9.31 C 17.60 -11.42 O 16.39 -13.49 O 19.71 -11.57 C 17.60 -14.19 C 21.10 -11.57 C 19.92 -8.91 C 16.39 -9.31 C 18.81 -7.89 C 16.39 -12.11 C 19.14 -10.29 C 13.94 -12.11 C 15.19 -10.02 C 15.19 -11.42 C 17.60 -10.02 28 1 -1 2 21 2 3 19 1 4 20 1 26 5 -2 26 6 -1 27 7 -2 8 19 2 9 20 2 10 12 1 10 22 2 11 13 1 11 14 1 12 23 1 13 26 1 14 27 1 23 15 -2 29 15 -2 16 24 1 16 29 1 17 19 1 24 17 -2 18 20 1 25 18 -1 21 23 1 21 25 1 22 27 1 22 29 1 24 28 1 25 29 1 26 28 1 27 28 1', '29 32 H 15.19 -12.38 C:109 21.27 -8.63 C:22 17.60 -15.59 C:22 21.79 -12.77 C:24 12.94 -13.04 C:33 14.91 -13.13 C:24 15.19 -8.63 O 18.81 -13.49 O 21.79 -10.29 C:118 16.39 -7.89 C:19 12.75 -10.02 C:39 17.60 -7.23 C:45 12.75 -11.42 C:42 13.94 -9.31 C:42 18.81 -9.31 C:38 17.60 -11.42 O 16.39 -13.49 O 19.71 -11.57 C:170 17.60 -14.19 C:170 21.10 -11.57 C:156 19.92 -8.91 C:153 16.39 -9.31 C:38 18.81 -7.89 C:69 16.39 -12.11 C:87 19.14 -10.29 C:34 13.94 -12.11 C:38 15.19 -10.02 C:48 15.19 -11.42 C:43 17.60 -10.02 28 1 -1 2 21 2 3 19 1 4 20 1 26 5 -2 26 6 -1 27 7 -2 8 19 2 9 20 2 10 12 1 10 22 2 11 13 1 11 14 1 12 23 1 13 26 1 14 27 1 23 15 -2 29 15 -2 16 24 1 16 29 1 17 19 1 24 17 -2 18 20 1 25 18 -1 21 23 1 21 25 1 22 27 1 22 29 1 24 28 1 25 29 1 26 28 1 27 28 1', 'C24H34O4', 386.262, 'C+M', 'np08_1418_9', 3698, '', '', '1', 47, NULL, NULL),
(14490, '', '6α,15β-Diacetoxy-ent-kaura-9(11),16-dien-12-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]34[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@:8]12[CH2:14][C@@H:13]([C:16](=[CH2:17])[C@H:15]1O[C:15001]([CH3:15002])=O)[C:12](=O)[CH:11]=[C:9]2[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH3:19]', '[H][C@]34[C@@H](OC(C)=O)C[C@]12C[C@@H](C(=C)[C@H]1OC(C)=O)C(=O)C=C2[C@]3(C)CCC[C@@]4(C)C', '[H][C@:47]34[C@@H:68](O[C:170]([CH3:22])=O)[CH2:37][C@:46]12[CH2:46][C@@H:55]([C:145](=[CH2:114])[C@H:82]1O[C:170]([CH3:22])=O)[C:198](=O)[CH:123]=[C:178]2[C@:39]3([CH3:26])[CH2:40][CH2:20][CH2:45][C@@:34]4([CH3:33])[CH3:24]', '30 33 H 15.19 -13.11 C:17 21.28 -9.36 C:6002 17.60 -16.32 C:15002 21.80 -13.50 C:18 14.91 -13.86 C:19 12.94 -13.77 C:20 15.19 -9.36 O 18.81 -14.22 O 21.80 -11.02 O 17.60 -6.56 C:11 16.39 -8.62 C:2 12.75 -10.75 C:3 12.75 -12.15 C:1 13.94 -10.04 C:14 18.81 -10.04 C:7 17.60 -12.15 O 16.39 -14.22 O 19.71 -12.30 C:6001 17.60 -14.92 C:15001 21.11 -12.30 C:16 19.93 -9.64 C:12 17.60 -7.96 C:9 16.39 -10.04 C:13 18.81 -8.62 C:6 16.39 -12.85 C:15 19.14 -11.02 C:4 13.94 -12.85 C:10 15.19 -10.75 C:5 15.19 -12.15 C:8 17.60 -10.75 29 1 -1 2 21 2 3 19 1 4 20 1 27 5 -1 27 6 -2 28 7 -2 8 19 2 9 20 2 10 22 2 11 22 1 11 23 2 12 13 1 12 14 1 13 27 1 14 28 1 24 15 -2 30 15 -2 16 25 1 16 30 1 17 19 1 25 17 -2 18 20 1 26 18 -1 21 24 1 21 26 1 22 24 1 23 28 1 23 30 1 25 29 1 26 30 1 27 29 1 28 29 1', '30 33 H 15.19 -13.11 C 21.28 -9.36 C 17.60 -16.32 C 21.80 -13.50 C 14.91 -13.86 C 12.94 -13.77 C 15.19 -9.36 O 18.81 -14.22 O 21.80 -11.02 O 17.60 -6.56 C 16.39 -8.62 C 12.75 -10.75 C 12.75 -12.15 C 13.94 -10.04 C 18.81 -10.04 C 17.60 -12.15 O 16.39 -14.22 O 19.71 -12.30 C 17.60 -14.92 C 21.11 -12.30 C 19.93 -9.64 C 17.60 -7.96 C 16.39 -10.04 C 18.81 -8.62 C 16.39 -12.85 C 19.14 -11.02 C 13.94 -12.85 C 15.19 -10.75 C 15.19 -12.15 C 17.60 -10.75 29 1 -1 2 21 2 3 19 1 4 20 1 27 5 -1 27 6 -2 28 7 -2 8 19 2 9 20 2 10 22 2 11 22 1 11 23 2 12 13 1 12 14 1 13 27 1 14 28 1 24 15 -2 30 15 -2 16 25 1 16 30 1 17 19 1 25 17 -2 18 20 1 26 18 -1 21 24 1 21 26 1 22 24 1 23 28 1 23 30 1 25 29 1 26 30 1 27 29 1 28 29 1', '30 33 H 15.19 -13.11 C:114 21.28 -9.36 C:22 17.60 -16.32 C:22 21.80 -13.50 C:33 14.91 -13.86 C:24 12.94 -13.77 C:26 15.19 -9.36 O 18.81 -14.22 O 21.80 -11.02 O 17.60 -6.56 C:123 16.39 -8.62 C:20 12.75 -10.75 C:45 12.75 -12.15 C:40 13.94 -10.04 C:46 18.81 -10.04 C:37 17.60 -12.15 O 16.39 -14.22 O 19.71 -12.30 C:170 17.60 -14.92 C:170 21.11 -12.30 C:145 19.93 -9.64 C:198 17.60 -7.96 C:178 16.39 -10.04 C:55 18.81 -8.62 C:68 16.39 -12.85 C:82 19.14 -11.02 C:34 13.94 -12.85 C:39 15.19 -10.75 C:47 15.19 -12.15 C:46 17.60 -10.75 29 1 -1 2 21 2 3 19 1 4 20 1 27 5 -1 27 6 -2 28 7 -2 8 19 2 9 20 2 10 22 2 11 22 1 11 23 2 12 13 1 12 14 1 13 27 1 14 28 1 24 15 -2 30 15 -2 16 25 1 16 30 1 17 19 1 25 17 -2 18 20 1 26 18 -1 21 24 1 21 26 1 22 24 1 23 28 1 23 30 1 25 29 1 26 30 1 27 29 1 28 29 1', 'C24H32O5', 400.262, 'C+M', 'np08_1418_10', 3698, '', '', '1', 47, NULL, NULL),
(14491, 'Stachenone', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH:15]=[CH:16][C@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@]14C=C[C@](C)(CC[C@@]1([H])[C@]2(C)CCC(=O)[C@@]3(C)C)C4', '[H][C@:56]23[CH2:21][CH2:37][C@:49]14[CH:135]=[CH:137][C@:44]([CH3:25])([CH2:33][CH2:21][C@@:52]1([H])[C@:37]2([CH3:15])[CH2:38][CH2:35][C:218](=O)[C@@:48]3([CH3:26])[CH3:22])[CH2:61]4', '23 26 H 16.70 -14.00 H 17.92 -11.88 C:18 16.42 -14.76 C:19 14.44 -14.67 C:17 20.37 -8.06 C:20 16.70 -10.19 O 13.02 -13.66 C:16 21.52 -10.47 C:15 20.72 -11.88 C:2 14.25 -11.60 C:12 19.14 -8.76 C:11 17.92 -9.47 C:6 17.92 -13.73 C:1 15.45 -10.89 C:7 19.14 -12.99 C:14 20.37 -10.89 C:3 14.25 -12.99 C:4 15.45 -13.73 C:13 20.37 -9.47 C:5 16.70 -12.99 C:9 17.92 -10.89 C:10 16.70 -11.60 C:8 19.14 -11.60 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 7 17 2 8 9 2 19 8 -1 23 9 -1 10 14 1 10 17 1 11 12 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 23 1 17 18 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.70 -14.00 H 17.92 -11.88 C 16.42 -14.76 C 14.44 -14.67 C 20.37 -8.06 C 16.70 -10.19 O 13.02 -13.66 C 21.52 -10.47 C 20.72 -11.88 C 14.25 -11.60 C 19.14 -8.76 C 17.92 -9.47 C 17.92 -13.73 C 15.45 -10.89 C 19.14 -12.99 C 20.37 -10.89 C 14.25 -12.99 C 15.45 -13.73 C 20.37 -9.47 C 16.70 -12.99 C 17.92 -10.89 C 16.70 -11.60 C 19.14 -11.60 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 7 17 2 8 9 2 19 8 -1 23 9 -1 10 14 1 10 17 1 11 12 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 23 1 17 18 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.70 -14.00 H 17.92 -11.88 C:26 16.42 -14.76 C:22 14.44 -14.67 C:25 20.37 -8.06 C:15 16.70 -10.19 O 13.02 -13.66 C:137 21.52 -10.47 C:135 20.72 -11.88 C:35 14.25 -11.60 C:33 19.14 -8.76 C:21 17.92 -9.47 C:21 17.92 -13.73 C:38 15.45 -10.89 C:37 19.14 -12.99 C:61 20.37 -10.89 C:218 14.25 -12.99 C:48 15.45 -13.73 C:44 20.37 -9.47 C:56 16.70 -12.99 C:52 17.92 -10.89 C:37 16.70 -11.60 C:49 19.14 -11.60 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 7 17 2 8 9 2 19 8 -1 23 9 -1 10 14 1 10 17 1 11 12 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 23 1 17 18 1 18 20 1 20 22 1 21 22 1 21 23 1', 'C20H30O', 286.229, 'C', 'ph07_546_1', 3699, '', '', '1', 47, NULL, NULL),
(14492, '', 'Methyl ent-2,4-seco-4-oxo-3,19-dinorbeyer-15-en-2-oate', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]3([CH3:17])[CH:16]=[CH:15][C@:8]1([CH2:7][CH2:6][C@H:5]([C:4]([CH3:18])=O)[C@@:10]2([CH3:20])[CH2:1][C:2](=O)O[CH3:2001])[CH2:14]3', '[H][C@@]12CC[C@@]3(C)C=C[C@]1(CC[C@H](C(C)=O)[C@@]2(C)CC(=O)OC)C3', '[H][C@@:57]12[CH2:23][CH2:33][C@@:44]3([CH3:25])[CH:134]=[CH:137][C@:49]1([CH2:36][CH2:20][C@H:45]([C:213]([CH3:32])=O)[C@@:40]2([CH3:18])[CH2:42][C:173](=O)O[CH3:9999])[CH2:61]3', '23 25 H 17.26 -12.02 C:2001 13.63 -7.58 C:18 13.63 -13.13 C:17 19.67 -8.25 C:20 16.04 -10.34 O 14.78 -15.25 O 16.04 -8.98 C:16 20.81 -10.63 C:15 20.02 -12.02 C:6 17.26 -13.85 C:12 18.46 -8.98 C:11 17.26 -9.69 C:7 18.46 -13.13 C:1 14.78 -11.09 C:14 19.67 -11.09 O 13.63 -8.98 C:4 14.78 -13.85 C:2 14.78 -9.69 C:5 16.04 -13.13 C:13 19.67 -9.69 C:9 17.26 -11.09 C:10 16.04 -11.78 C:8 18.46 -11.78 21 1 -1 2 16 1 3 17 1 4 20 1 22 5 -2 6 17 2 7 18 2 8 9 2 20 8 -1 23 9 -1 10 13 1 10 19 1 11 12 1 11 20 1 12 21 1 13 23 1 14 18 1 22 14 -1 15 20 1 15 23 1 16 18 1 19 17 -2 19 22 1 21 22 1 21 23 1', '23 25 H 17.26 -12.02 C 13.63 -7.58 C 13.63 -13.13 C 19.67 -8.25 C 16.04 -10.34 O 14.78 -15.25 O 16.04 -8.98 C 20.81 -10.63 C 20.02 -12.02 C 17.26 -13.85 C 18.46 -8.98 C 17.26 -9.69 C 18.46 -13.13 C 14.78 -11.09 C 19.67 -11.09 O 13.63 -8.98 C 14.78 -13.85 C 14.78 -9.69 C 16.04 -13.13 C 19.67 -9.69 C 17.26 -11.09 C 16.04 -11.78 C 18.46 -11.78 21 1 -1 2 16 1 3 17 1 4 20 1 22 5 -2 6 17 2 7 18 2 8 9 2 20 8 -1 23 9 -1 10 13 1 10 19 1 11 12 1 11 20 1 12 21 1 13 23 1 14 18 1 22 14 -1 15 20 1 15 23 1 16 18 1 19 17 -2 19 22 1 21 22 1 21 23 1', '23 25 H 17.26 -12.02 C 13.63 -7.58 C:32 13.63 -13.13 C:25 19.67 -8.25 C:18 16.04 -10.34 O 14.78 -15.25 O 16.04 -8.98 C:134 20.81 -10.63 C:137 20.02 -12.02 C:20 17.26 -13.85 C:33 18.46 -8.98 C:23 17.26 -9.69 C:36 18.46 -13.13 C:42 14.78 -11.09 C:61 19.67 -11.09 O 13.63 -8.98 C:213 14.78 -13.85 C:173 14.78 -9.69 C:45 16.04 -13.13 C:44 19.67 -9.69 C:57 17.26 -11.09 C:40 16.04 -11.78 C:49 18.46 -11.78 21 1 -1 2 16 1 3 17 1 4 20 1 22 5 -2 6 17 2 7 18 2 8 9 2 20 8 -1 23 9 -1 10 13 1 10 19 1 11 12 1 11 20 1 12 21 1 13 23 1 14 18 1 22 14 -1 15 20 1 15 23 1 16 18 1 19 17 -2 19 22 1 21 22 1 21 23 1', 'C19H28O3', 304.209, 'C', 'ph07_546_3', 3699, '', '', '1', 47, NULL, NULL),
(14493, '', 'ent-3-Oxa-beyer-15-en-2-one', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH:15]=[CH:16][C@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C:2](=O)O[C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@]14C=C[C@](C)(CC[C@@]1([H])[C@]2(C)CC(=O)O[C@@]3(C)C)C4', '[H][C@:52]23[CH2:20][CH2:36][C@:49]14[CH:138]=[CH:134][C@:44]([CH3:25])([CH2:33][CH2:23][C@@:50]1([H])[C@:37]2([CH3:15])[CH2:45][C:171](=O)O[C@@:86]3([CH3:33])[CH3:25])[CH2:61]4', '23 26 H 16.68 -14.03 H 17.90 -11.91 C:18 16.40 -14.78 C:19 14.41 -14.69 C:17 20.35 -8.07 C:20 16.68 -10.22 O 13.00 -10.94 C:16 21.50 -10.50 C:15 20.70 -11.91 C:12 19.12 -8.78 C:11 17.90 -9.49 C:6 17.90 -13.76 C:7 19.12 -13.02 C:1 15.43 -10.94 C:14 20.35 -10.94 O 14.23 -13.02 C:2 14.23 -11.63 C:4 15.43 -13.76 C:13 20.35 -9.49 C:5 16.68 -13.02 C:9 17.90 -10.94 C:10 16.68 -11.63 C:8 19.12 -11.63 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 7 17 2 8 9 2 19 8 -1 23 9 -1 10 11 1 10 19 1 11 21 1 12 13 1 12 20 1 13 23 1 14 17 1 14 22 1 15 19 1 15 23 1 16 17 1 16 18 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.68 -14.03 H 17.90 -11.91 C 16.40 -14.78 C 14.41 -14.69 C 20.35 -8.07 C 16.68 -10.22 O 13.00 -10.94 C 21.50 -10.50 C 20.70 -11.91 C 19.12 -8.78 C 17.90 -9.49 C 17.90 -13.76 C 19.12 -13.02 C 15.43 -10.94 C 20.35 -10.94 O 14.23 -13.02 C 14.23 -11.63 C 15.43 -13.76 C 20.35 -9.49 C 16.68 -13.02 C 17.90 -10.94 C 16.68 -11.63 C 19.12 -11.63 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 7 17 2 8 9 2 19 8 -1 23 9 -1 10 11 1 10 19 1 11 21 1 12 13 1 12 20 1 13 23 1 14 17 1 14 22 1 15 19 1 15 23 1 16 17 1 16 18 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.68 -14.03 H 17.90 -11.91 C:33 16.40 -14.78 C:25 14.41 -14.69 C:25 20.35 -8.07 C:15 16.68 -10.22 O 13.00 -10.94 C:134 21.50 -10.50 C:138 20.70 -11.91 C:33 19.12 -8.78 C:23 17.90 -9.49 C:20 17.90 -13.76 C:36 19.12 -13.02 C:45 15.43 -10.94 C:61 20.35 -10.94 O 14.23 -13.02 C:171 14.23 -11.63 C:86 15.43 -13.76 C:44 20.35 -9.49 C:52 16.68 -13.02 C:50 17.90 -10.94 C:37 16.68 -11.63 C:49 19.12 -11.63 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 7 17 2 8 9 2 19 8 -1 23 9 -1 10 11 1 10 19 1 11 21 1 12 13 1 12 20 1 13 23 1 14 17 1 14 22 1 15 19 1 15 23 1 16 17 1 16 18 1 18 20 1 20 22 1 21 22 1 21 23 1', 'C19H28O2', 288.218, 'C', 'ph07_546_5', 3699, '', '', '1', 47, NULL, NULL),
(14494, '', 'ent-15,16-Epoxy-2-hydroxy-19-norbeyer-1,4-dien-3-one', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@:13]5([CH3:17])[CH2:14][C@@:8]1([CH2:7][CH2:6][C:5]2=[C:4]([CH3:18])[C:3](=O)[C:2](O)=[CH:1][C@:10]23[CH3:20])[C@@H:15]4O[C@@H:16]45', '[H][C@@]13CC[C@]5(C)C[C@@]1(CCC2=C(C)C(=O)C(O)=C[C@]23C)[C@@H]4O[C@@H]45', '[H][C@@:53]13[CH2:21][CH2:34][C@:44]5([CH3:22])[CH2:35][C@@:45]1([CH2:40][CH2:26][C:166]2=[C:127]([CH3:11])[C:181](=O)[C:145](O)=[CH:124][C@:44]23[CH3:22])[C@@H:60]4O[C@@H:55]45', '23 27 H 17.59 -11.74 C:18 15.15 -14.94 C:17 20.01 -7.96 C:20 16.39 -10.07 O 12.75 -13.49 O 12.75 -10.78 C:1 15.15 -10.78 C:6 17.59 -13.56 C:12 18.80 -8.65 C:7 18.80 -12.83 C:11 17.59 -9.35 C:14 20.01 -10.78 O 21.79 -11.63 C:4 15.15 -13.56 C:2 13.96 -11.46 C:3 13.96 -12.83 C:5 16.39 -12.83 C:16 21.14 -10.35 C:15 20.35 -11.74 C:13 20.01 -9.35 C:10 16.39 -11.46 C:9 17.59 -10.78 C:8 18.80 -11.46 22 1 -1 2 14 1 3 20 1 21 4 -2 5 16 2 6 15 1 7 15 2 7 21 1 8 10 1 8 17 1 9 11 1 9 20 1 10 23 1 11 22 1 20 12 -2 23 12 -2 18 13 -1 19 13 -1 14 16 1 14 17 2 15 16 1 17 21 1 18 19 1 18 20 1 19 23 1 21 22 1 22 23 1', '23 27 H 17.59 -11.74 C 15.15 -14.94 C 20.01 -7.96 C 16.39 -10.07 O 12.75 -13.49 O 12.75 -10.78 C 15.15 -10.78 C 17.59 -13.56 C 18.80 -8.65 C 18.80 -12.83 C 17.59 -9.35 C 20.01 -10.78 O 21.79 -11.63 C 15.15 -13.56 C 13.96 -11.46 C 13.96 -12.83 C 16.39 -12.83 C 21.14 -10.35 C 20.35 -11.74 C 20.01 -9.35 C 16.39 -11.46 C 17.59 -10.78 C 18.80 -11.46 22 1 -1 2 14 1 3 20 1 21 4 -2 5 16 2 6 15 1 7 15 2 7 21 1 8 10 1 8 17 1 9 11 1 9 20 1 10 23 1 11 22 1 20 12 -2 23 12 -2 18 13 -1 19 13 -1 14 16 1 14 17 2 15 16 1 17 21 1 18 19 1 18 20 1 19 23 1 21 22 1 22 23 1', '23 27 H 17.59 -11.74 C:11 15.15 -14.94 C:22 20.01 -7.96 C:22 16.39 -10.07 O 12.75 -13.49 O 12.75 -10.78 C:124 15.15 -10.78 C:26 17.59 -13.56 C:34 18.80 -8.65 C:40 18.80 -12.83 C:21 17.59 -9.35 C:35 20.01 -10.78 O 21.79 -11.63 C:127 15.15 -13.56 C:145 13.96 -11.46 C:181 13.96 -12.83 C:166 16.39 -12.83 C:55 21.14 -10.35 C:60 20.35 -11.74 C:44 20.01 -9.35 C:44 16.39 -11.46 C:53 17.59 -10.78 C:45 18.80 -11.46 22 1 -1 2 14 1 3 20 1 21 4 -2 5 16 2 6 15 1 7 15 2 7 21 1 8 10 1 8 17 1 9 11 1 9 20 1 10 23 1 11 22 1 20 12 -2 23 12 -2 18 13 -1 19 13 -1 14 16 1 14 17 2 15 16 1 17 21 1 18 19 1 18 20 1 19 23 1 21 22 1 22 23 1', 'C19H24O3', 300.209, 'C', 'ph07_546_6', 3699, '', '', '1', 47, NULL, NULL),
(14495, '', 'Methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]4([CH3:17])[CH2:14][C@@:8]1([CH2:7][CH2:6][C@H:5]([C:4]([CH3:18])=O)[C@@:10]2([CH3:20])[CH2:1][C:2](=O)O[CH3:2001])[C@@H:15]3O[C@@H:16]34', '[H][C@@]12CC[C@]4(C)C[C@@]1(CC[C@H](C(C)=O)[C@@]2(C)CC(=O)OC)[C@@H]3O[C@@H]34', '[H][C@@:51]12[CH2:23][CH2:31][C@:44]4([CH3:21])[CH2:39][C@@:46]1([CH2:35][CH2:19][C@H:48]([C:212]([CH3:31])=O)[C@@:40]2([CH3:19])[CH2:42][C:172](=O)O[CH3:56])[C@@H:56]3O[C@@H:54]34', '24 27 H 16.93 -12.04 C:2001 13.31 -7.62 C:18 13.31 -13.15 C:17 19.34 -8.28 C:20 15.72 -10.37 O 14.46 -15.27 O 15.72 -9.01 C:6 16.93 -13.87 C:7 18.13 -13.15 C:12 18.13 -9.01 C:11 16.93 -9.72 C:1 14.46 -11.12 C:14 19.34 -11.12 O 13.31 -9.01 O 21.13 -11.94 C:4 14.46 -13.87 C:2 14.46 -9.72 C:5 15.72 -13.15 C:16 20.47 -10.66 C:15 19.69 -12.04 C:13 19.34 -9.72 C:9 16.93 -11.12 C:10 15.72 -11.80 C:8 18.13 -11.80 22 1 -1 2 14 1 3 16 1 4 21 1 23 5 -2 6 16 2 7 17 2 8 9 1 8 18 1 9 24 1 10 11 1 10 21 1 11 22 1 12 17 1 23 12 -1 21 13 -2 24 13 -2 14 17 1 19 15 -1 20 15 -1 18 16 -2 18 23 1 19 20 1 19 21 1 20 24 1 22 23 1 22 24 1', '24 27 H 16.93 -12.04 C 13.31 -7.62 C 13.31 -13.15 C 19.34 -8.28 C 15.72 -10.37 O 14.46 -15.27 O 15.72 -9.01 C 16.93 -13.87 C 18.13 -13.15 C 18.13 -9.01 C 16.93 -9.72 C 14.46 -11.12 C 19.34 -11.12 O 13.31 -9.01 O 21.13 -11.94 C 14.46 -13.87 C 14.46 -9.72 C 15.72 -13.15 C 20.47 -10.66 C 19.69 -12.04 C 19.34 -9.72 C 16.93 -11.12 C 15.72 -11.80 C 18.13 -11.80 22 1 -1 2 14 1 3 16 1 4 21 1 23 5 -2 6 16 2 7 17 2 8 9 1 8 18 1 9 24 1 10 11 1 10 21 1 11 22 1 12 17 1 23 12 -1 21 13 -2 24 13 -2 14 17 1 19 15 -1 20 15 -1 18 16 -2 18 23 1 19 20 1 19 21 1 20 24 1 22 23 1 22 24 1', '24 27 H 16.93 -12.04 C:56 13.31 -7.62 C:31 13.31 -13.15 C:21 19.34 -8.28 C:19 15.72 -10.37 O 14.46 -15.27 O 15.72 -9.01 C:19 16.93 -13.87 C:35 18.13 -13.15 C:31 18.13 -9.01 C:23 16.93 -9.72 C:42 14.46 -11.12 C:39 19.34 -11.12 O 13.31 -9.01 O 21.13 -11.94 C:212 14.46 -13.87 C:172 14.46 -9.72 C:48 15.72 -13.15 C:54 20.47 -10.66 C:56 19.69 -12.04 C:44 19.34 -9.72 C:51 16.93 -11.12 C:40 15.72 -11.80 C:46 18.13 -11.80 22 1 -1 2 14 1 3 16 1 4 21 1 23 5 -2 6 16 2 7 17 2 8 9 1 8 18 1 9 24 1 10 11 1 10 21 1 11 22 1 12 17 1 23 12 -1 21 13 -2 24 13 -2 14 17 1 19 15 -1 20 15 -1 18 16 -2 18 23 1 19 20 1 19 21 1 20 24 1 22 23 1 22 24 1', 'C19H28O4', 320.209, 'C', 'ph07_546_7', 3699, '', '', '1', 47, NULL, NULL),
(14496, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C:1](=O)[C@H:2](O)[CH2:3][C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)C(=O)[C@H](O)C[C@@]3(C)C)C4', '[H][C@:51]23[CH2:20][CH2:37][C@@:50]14[CH:134]=[CH:138][C@@:44]([CH3:25])([CH2:33][CH2:22][C@@:46]1([H])[C@:50]2([CH3:16])[C:217](=O)[C@H:70](O)[CH2:44][C@@:32]3([CH3:31])[CH3:26])[CH2:61]4', '24 27 H 16.66 -14.01 H 17.88 -11.89 C:18 16.38 -14.78 C:19 14.40 -14.69 C:17 20.34 -8.07 C:20 16.66 -10.21 O 15.41 -9.51 O 12.98 -10.92 C:16 21.49 -10.49 C:15 20.69 -11.89 C:12 19.11 -8.78 C:11 17.88 -9.51 C:6 17.88 -13.74 C:7 19.11 -13.00 C:3 14.20 -13.00 C:14 20.34 -10.92 C:1 15.41 -10.92 C:2 14.20 -11.61 C:4 15.41 -13.74 C:13 20.34 -9.51 C:5 16.66 -13.00 C:9 17.88 -10.92 C:10 16.66 -11.61 C:8 19.11 -11.61 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -1 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 18 1 15 19 1 16 20 1 16 24 1 17 18 1 17 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.66 -14.01 H 17.88 -11.89 C 16.38 -14.78 C 14.40 -14.69 C 20.34 -8.07 C 16.66 -10.21 O 15.41 -9.51 O 12.98 -10.92 C 21.49 -10.49 C 20.69 -11.89 C 19.11 -8.78 C 17.88 -9.51 C 17.88 -13.74 C 19.11 -13.00 C 14.20 -13.00 C 20.34 -10.92 C 15.41 -10.92 C 14.20 -11.61 C 15.41 -13.74 C 20.34 -9.51 C 16.66 -13.00 C 17.88 -10.92 C 16.66 -11.61 C 19.11 -11.61 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -1 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 18 1 15 19 1 16 20 1 16 24 1 17 18 1 17 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.66 -14.01 H 17.88 -11.89 C:31 16.38 -14.78 C:26 14.40 -14.69 C:25 20.34 -8.07 C:16 16.66 -10.21 O 15.41 -9.51 O 12.98 -10.92 C:138 21.49 -10.49 C:134 20.69 -11.89 C:33 19.11 -8.78 C:22 17.88 -9.51 C:20 17.88 -13.74 C:37 19.11 -13.00 C:44 14.20 -13.00 C:61 20.34 -10.92 C:217 15.41 -10.92 C:70 14.20 -11.61 C:32 15.41 -13.74 C:44 20.34 -9.51 C:51 16.66 -13.00 C:46 17.88 -10.92 C:50 16.66 -11.61 C:50 19.11 -11.61 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -1 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 18 1 15 19 1 16 20 1 16 24 1 17 18 1 17 23 1 19 21 1 21 23 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', 'ph32_937_10', 3700, '', '', '1', 47, NULL, NULL),
(14497, '', 'ent-1β-Hydroxybeyer-15-en-2-one', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@H:1](O)[C:2](=O)[CH2:3][C@:4]3([CH3:19])[CH3:18])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@H](O)C(=O)C[C@]3(C)C)C4', '[H][C@:55]23[CH2:21][CH2:37][C@@:50]14[CH:134]=[CH:137][C@@:44]([CH3:25])([CH2:33][CH2:23][C@@:54]1([H])[C@:50]2([CH3:11])[C@H:84](O)[C:211](=O)[CH2:54][C@:40]3([CH3:23])[CH3:33])[CH2:61]4', '24 27 H 16.66 -14.01 H 17.88 -11.89 C:19 14.40 -14.69 C:18 16.38 -14.78 C:17 20.34 -8.07 C:20 16.66 -10.21 O 12.98 -10.92 O 15.41 -9.51 C:16 21.49 -10.49 C:15 20.69 -11.89 C:12 19.11 -8.78 C:11 17.88 -9.51 C:6 17.88 -13.74 C:7 19.11 -13.00 C:3 14.20 -13.00 C:14 20.34 -10.92 C:2 14.20 -11.61 C:1 15.41 -10.92 C:4 15.41 -13.74 C:13 20.34 -9.51 C:5 16.66 -13.00 C:9 17.88 -10.92 C:10 16.66 -11.61 C:8 19.11 -11.61 21 1 -1 22 2 -1 19 3 -2 19 4 -1 5 20 1 23 6 -2 7 17 2 18 8 -1 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 17 1 15 19 1 16 20 1 16 24 1 17 18 1 18 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.66 -14.01 H 17.88 -11.89 C 14.40 -14.69 C 16.38 -14.78 C 20.34 -8.07 C 16.66 -10.21 O 12.98 -10.92 O 15.41 -9.51 C 21.49 -10.49 C 20.69 -11.89 C 19.11 -8.78 C 17.88 -9.51 C 17.88 -13.74 C 19.11 -13.00 C 14.20 -13.00 C 20.34 -10.92 C 14.20 -11.61 C 15.41 -10.92 C 15.41 -13.74 C 20.34 -9.51 C 16.66 -13.00 C 17.88 -10.92 C 16.66 -11.61 C 19.11 -11.61 21 1 -1 22 2 -1 19 3 -2 19 4 -1 5 20 1 23 6 -2 7 17 2 18 8 -1 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 17 1 15 19 1 16 20 1 16 24 1 17 18 1 18 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.66 -14.01 H 17.88 -11.89 C:23 14.40 -14.69 C:33 16.38 -14.78 C:25 20.34 -8.07 C:11 16.66 -10.21 O 12.98 -10.92 O 15.41 -9.51 C:137 21.49 -10.49 C:134 20.69 -11.89 C:33 19.11 -8.78 C:23 17.88 -9.51 C:21 17.88 -13.74 C:37 19.11 -13.00 C:54 14.20 -13.00 C:61 20.34 -10.92 C:211 14.20 -11.61 C:84 15.41 -10.92 C:40 15.41 -13.74 C:44 20.34 -9.51 C:55 16.66 -13.00 C:54 17.88 -10.92 C:50 16.66 -11.61 C:50 19.11 -11.61 21 1 -1 22 2 -1 19 3 -2 19 4 -1 5 20 1 23 6 -2 7 17 2 18 8 -1 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 17 1 15 19 1 16 20 1 16 24 1 17 18 1 18 23 1 19 21 1 21 23 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', 'ph32_937_11', 3700, '', '', '1', 47, NULL, NULL),
(14498, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C:1](=O)[C@H:2](O)[CH2:3][C@@:4]3([CH3:18])[CH2:19]O)[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)C(=O)[C@H](O)C[C@@]3(C)CO)C4', '[H][C@:51]23[CH2:20][CH2:38][C@@:50]14[CH:134]=[CH:138][C@@:44]([CH3:25])([CH2:33][CH2:22][C@@:46]1([H])[C@:50]2([CH3:17])[C:217](=O)[C@H:71](O)[CH2:40][C@@:38]3([CH3:25])[CH2:69]O)[CH2:61]4', '25 28 H 16.66 -13.40 H 17.88 -11.28 C:17 20.34 -7.46 C:18 16.38 -14.17 C:20 16.66 -9.60 O 15.41 -8.90 O 14.73 -15.44 O 12.98 -10.31 C:16 21.49 -9.88 C:15 20.69 -11.28 C:19 14.40 -14.08 C:12 19.11 -8.17 C:11 17.88 -8.90 C:6 17.88 -13.13 C:7 19.11 -12.39 C:3 14.20 -12.39 C:14 20.34 -10.31 C:1 15.41 -10.31 C:2 14.20 -11.00 C:13 20.34 -8.90 C:4 15.41 -13.13 C:5 16.66 -12.39 C:9 17.88 -10.31 C:10 16.66 -11.00 C:8 19.11 -11.00 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -1 9 10 2 20 9 -2 25 10 -2 21 11 -2 12 13 1 12 20 1 13 23 1 14 15 1 14 22 1 15 25 1 16 19 1 16 21 1 17 20 1 17 25 1 18 19 1 18 24 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 16.66 -13.40 H 17.88 -11.28 C 20.34 -7.46 C 16.38 -14.17 C 16.66 -9.60 O 15.41 -8.90 O 14.73 -15.44 O 12.98 -10.31 C 21.49 -9.88 C 20.69 -11.28 C 14.40 -14.08 C 19.11 -8.17 C 17.88 -8.90 C 17.88 -13.13 C 19.11 -12.39 C 14.20 -12.39 C 20.34 -10.31 C 15.41 -10.31 C 14.20 -11.00 C 20.34 -8.90 C 15.41 -13.13 C 16.66 -12.39 C 17.88 -10.31 C 16.66 -11.00 C 19.11 -11.00 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -1 9 10 2 20 9 -2 25 10 -2 21 11 -2 12 13 1 12 20 1 13 23 1 14 15 1 14 22 1 15 25 1 16 19 1 16 21 1 17 20 1 17 25 1 18 19 1 18 24 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 16.66 -13.40 H 17.88 -11.28 C:25 20.34 -7.46 C:25 16.38 -14.17 C:17 16.66 -9.60 O 15.41 -8.90 O 14.73 -15.44 O 12.98 -10.31 C:138 21.49 -9.88 C:134 20.69 -11.28 C:69 14.40 -14.08 C:33 19.11 -8.17 C:22 17.88 -8.90 C:20 17.88 -13.13 C:38 19.11 -12.39 C:40 14.20 -12.39 C:61 20.34 -10.31 C:217 15.41 -10.31 C:71 14.20 -11.00 C:44 20.34 -8.90 C:38 15.41 -13.13 C:51 16.66 -12.39 C:46 17.88 -10.31 C:50 16.66 -11.00 C:50 19.11 -11.00 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -1 9 10 2 20 9 -2 25 10 -2 21 11 -2 12 13 1 12 20 1 13 23 1 14 15 1 14 22 1 15 25 1 16 19 1 16 21 1 17 20 1 17 25 1 18 19 1 18 24 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H30O3', 318.228, 'C', 'ph32_937_17', 3700, '', '', '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
(14499, '', 'ent-1β,19-Dihydroxybeyer-15-en-2-one', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@H:1](O)[C:2](=O)[CH2:3][C@@:4]3([CH3:18])[CH2:19]O)[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@H](O)C(=O)C[C@@]3(C)CO)C4', '[H][C@:55]23[CH2:21][CH2:38][C@@:50]14[CH:134]=[CH:138][C@@:44]([CH3:25])([CH2:33][CH2:23][C@@:54]1([H])[C@:50]2([CH3:12])[C@H:84](O)[C:211](=O)[CH2:48][C@@:45]3([CH3:27])[CH2:65]O)[CH2:61]4', '25 28 H 16.66 -13.40 H 17.88 -11.28 C:17 20.34 -7.46 C:18 16.38 -14.17 C:20 16.66 -9.60 O 12.98 -10.31 O 14.73 -15.44 O 15.41 -8.90 C:16 21.49 -9.88 C:15 20.69 -11.28 C:19 14.40 -14.08 C:12 19.11 -8.17 C:11 17.88 -8.90 C:6 17.88 -13.13 C:7 19.11 -12.39 C:3 14.20 -12.39 C:14 20.34 -10.31 C:2 14.20 -11.00 C:1 15.41 -10.31 C:13 20.34 -8.90 C:4 15.41 -13.13 C:5 16.66 -12.39 C:9 17.88 -10.31 C:10 16.66 -11.00 C:8 19.11 -11.00 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -1 9 10 2 20 9 -2 25 10 -2 21 11 -2 12 13 1 12 20 1 13 23 1 14 15 1 14 22 1 15 25 1 16 18 1 16 21 1 17 20 1 17 25 1 18 19 1 19 24 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 16.66 -13.40 H 17.88 -11.28 C 20.34 -7.46 C 16.38 -14.17 C 16.66 -9.60 O 12.98 -10.31 O 14.73 -15.44 O 15.41 -8.90 C 21.49 -9.88 C 20.69 -11.28 C 14.40 -14.08 C 19.11 -8.17 C 17.88 -8.90 C 17.88 -13.13 C 19.11 -12.39 C 14.20 -12.39 C 20.34 -10.31 C 14.20 -11.00 C 15.41 -10.31 C 20.34 -8.90 C 15.41 -13.13 C 16.66 -12.39 C 17.88 -10.31 C 16.66 -11.00 C 19.11 -11.00 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -1 9 10 2 20 9 -2 25 10 -2 21 11 -2 12 13 1 12 20 1 13 23 1 14 15 1 14 22 1 15 25 1 16 18 1 16 21 1 17 20 1 17 25 1 18 19 1 19 24 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 16.66 -13.40 H 17.88 -11.28 C:25 20.34 -7.46 C:27 16.38 -14.17 C:12 16.66 -9.60 O 12.98 -10.31 O 14.73 -15.44 O 15.41 -8.90 C:138 21.49 -9.88 C:134 20.69 -11.28 C:65 14.40 -14.08 C:33 19.11 -8.17 C:23 17.88 -8.90 C:21 17.88 -13.13 C:38 19.11 -12.39 C:48 14.20 -12.39 C:61 20.34 -10.31 C:211 14.20 -11.00 C:84 15.41 -10.31 C:44 20.34 -8.90 C:45 15.41 -13.13 C:55 16.66 -12.39 C:54 17.88 -10.31 C:50 16.66 -11.00 C:50 19.11 -11.00 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 18 2 7 11 1 19 8 -1 9 10 2 20 9 -2 25 10 -2 21 11 -2 12 13 1 12 20 1 13 23 1 14 15 1 14 22 1 15 25 1 16 18 1 16 21 1 17 20 1 17 25 1 18 19 1 19 24 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H30O3', 318.228, 'C', 'ph32_937_18', 3700, '', '', '1', 47, NULL, NULL),
(14500, '', 'ent-2,19-Dihydroxybeyera-2,15-dien-l-one', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C:1](=O)[C:2](O)=[CH:3][C@@:4]3([CH3:18])[CH2:19]O)[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)C(=O)C(O)=C[C@@]3(C)CO)C4', '[H][C@:52]23[CH2:20][CH2:37][C@@:47]14[CH:134]=[CH:138][C@@:44]([CH3:25])([CH2:33][CH2:23][C@@:45]1([H])[C@:50]2([CH3:17])[C:9999](=O)[C:143](O)=[CH:121][C@@:40]3([CH3:27])[CH2:67]O)[CH2:61]4', '25 28 H 16.67 -13.35 H 17.89 -11.23 C:17 20.36 -7.42 C:18 16.39 -14.12 C:20 16.67 -9.56 O 15.42 -8.86 O 14.75 -15.40 O 13.00 -10.26 C:16 21.52 -9.84 C:15 20.72 -11.23 C:3 14.21 -12.34 C:19 14.41 -14.03 C:12 19.13 -8.13 C:11 17.89 -8.86 C:6 17.89 -13.08 C:7 19.13 -12.34 C:14 20.36 -10.26 C:2 14.21 -10.95 C:1 15.42 -10.26 C:13 20.36 -8.86 C:4 15.42 -13.08 C:5 16.67 -12.34 C:9 17.89 -10.26 C:10 16.67 -10.95 C:8 19.13 -10.95 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 19 2 7 12 1 8 18 1 9 10 2 20 9 -2 25 10 -2 11 18 2 11 21 1 21 12 -2 13 14 1 13 20 1 14 23 1 15 16 1 15 22 1 16 25 1 17 20 1 17 25 1 18 19 1 19 24 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 16.67 -13.35 H 17.89 -11.23 C 20.36 -7.42 C 16.39 -14.12 C 16.67 -9.56 O 15.42 -8.86 O 14.75 -15.40 O 13.00 -10.26 C 21.52 -9.84 C 20.72 -11.23 C 14.21 -12.34 C 14.41 -14.03 C 19.13 -8.13 C 17.89 -8.86 C 17.89 -13.08 C 19.13 -12.34 C 20.36 -10.26 C 14.21 -10.95 C 15.42 -10.26 C 20.36 -8.86 C 15.42 -13.08 C 16.67 -12.34 C 17.89 -10.26 C 16.67 -10.95 C 19.13 -10.95 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 19 2 7 12 1 8 18 1 9 10 2 20 9 -2 25 10 -2 11 18 2 11 21 1 21 12 -2 13 14 1 13 20 1 14 23 1 15 16 1 15 22 1 16 25 1 17 20 1 17 25 1 18 19 1 19 24 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 16.67 -13.35 H 17.89 -11.23 C:25 20.36 -7.42 C:27 16.39 -14.12 C:17 16.67 -9.56 O 15.42 -8.86 O 14.75 -15.40 O 13.00 -10.26 C:138 21.52 -9.84 C:134 20.72 -11.23 C:121 14.21 -12.34 C:67 14.41 -14.03 C:33 19.13 -8.13 C:23 17.89 -8.86 C:20 17.89 -13.08 C:37 19.13 -12.34 C:61 20.36 -10.26 C:143 14.21 -10.95 C 15.42 -10.26 C:44 20.36 -8.86 C:40 15.42 -13.08 C:52 16.67 -12.34 C:45 17.89 -10.26 C:50 16.67 -10.95 C:47 19.13 -10.95 22 1 -1 23 2 -1 3 20 1 21 4 -1 24 5 -2 6 19 2 7 12 1 8 18 1 9 10 2 20 9 -2 25 10 -2 11 18 2 11 21 1 21 12 -2 13 14 1 13 20 1 14 23 1 15 16 1 15 22 1 16 25 1 17 20 1 17 25 1 18 19 1 19 24 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H28O3', 316.228, 'C', 'ph32_937_19', 3700, '', '', '1', 47, NULL, NULL),
(14501, '', 'ent-Beyer-15-en-1β-ol', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@H](O)CC[C@@]3(C)C)C4', '[H][C@:55]23[CH2:20][CH2:38][C@@:50]14[CH:135]=[CH:137][C@@:44]([CH3:25])([CH2:34][CH2:24][C@@:54]1([H])[C@:36]2([CH3:10])[C@H:80](O)[CH2:30][CH2:40][C@@:33]3([CH3:33])[CH3:22])[CH2:61]4', '23 26 H 16.05 -14.02 H 17.27 -11.90 C:18 15.77 -14.79 C:19 13.79 -14.70 C:17 19.73 -8.08 C:20 16.05 -10.22 O 14.80 -9.52 C:16 20.88 -10.50 C:15 20.08 -11.90 C:2 13.59 -11.62 C:3 13.59 -13.01 C:12 18.50 -8.79 C:11 17.27 -9.52 C:6 17.27 -13.75 C:7 18.50 -13.01 C:14 19.73 -10.93 C:1 14.80 -10.93 C:4 14.80 -13.75 C:13 19.73 -9.52 C:5 16.05 -13.01 C:9 17.27 -10.93 C:10 16.05 -11.62 C:8 18.50 -11.62 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 17 7 -1 8 9 2 19 8 -2 23 9 -2 10 11 1 10 17 1 11 18 1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 23 1 16 19 1 16 23 1 17 22 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.05 -14.02 H 17.27 -11.90 C 15.77 -14.79 C 13.79 -14.70 C 19.73 -8.08 C 16.05 -10.22 O 14.80 -9.52 C 20.88 -10.50 C 20.08 -11.90 C 13.59 -11.62 C 13.59 -13.01 C 18.50 -8.79 C 17.27 -9.52 C 17.27 -13.75 C 18.50 -13.01 C 19.73 -10.93 C 14.80 -10.93 C 14.80 -13.75 C 19.73 -9.52 C 16.05 -13.01 C 17.27 -10.93 C 16.05 -11.62 C 18.50 -11.62 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 17 7 -1 8 9 2 19 8 -2 23 9 -2 10 11 1 10 17 1 11 18 1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 23 1 16 19 1 16 23 1 17 22 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.05 -14.02 H 17.27 -11.90 C:33 15.77 -14.79 C:22 13.79 -14.70 C:25 19.73 -8.08 C:10 16.05 -10.22 O 14.80 -9.52 C:137 20.88 -10.50 C:135 20.08 -11.90 C:30 13.59 -11.62 C:40 13.59 -13.01 C:34 18.50 -8.79 C:24 17.27 -9.52 C:20 17.27 -13.75 C:38 18.50 -13.01 C:61 19.73 -10.93 C:80 14.80 -10.93 C:33 14.80 -13.75 C:44 19.73 -9.52 C:55 16.05 -13.01 C:54 17.27 -10.93 C:36 16.05 -11.62 C:50 18.50 -11.62 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 17 7 -1 8 9 2 19 8 -2 23 9 -2 10 11 1 10 17 1 11 18 1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 23 1 16 19 1 16 23 1 17 22 1 18 20 1 20 22 1 21 22 1 21 23 1', 'C20H32O', 288.229, 'C', 'ph32_937_20', 3700, '', '', '1', 47, NULL, NULL),
(14502, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C:1](=O)[C@@H:2](O)[CH2:3][C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)C(=O)[C@@H](O)C[C@@]3(C)C)C4', '[H][C@:59]23[CH2:20][CH2:37][C@@:49]14[CH:143]=[CH:138][C@@:44]([CH3:25])([CH2:33][CH2:22][C@@:45]1([H])[C@:51]2([CH3:15])[C:217](=O)[C@@H:69](O)[CH2:54][C@@:34]3([CH3:33])[CH3:23])[CH2:61]4', '24 27 H 16.67 -14.02 H 17.89 -11.90 C:18 16.39 -14.79 C:19 14.41 -14.70 C:17 20.35 -8.08 C:20 16.67 -10.22 O 15.42 -9.52 O 13.00 -10.92 C:16 21.50 -10.50 C:15 20.70 -11.90 C:12 19.12 -8.79 C:11 17.89 -9.52 C:6 17.89 -13.75 C:7 19.12 -13.01 C:3 14.21 -13.01 C:14 20.35 -10.92 C:1 15.42 -10.92 C:2 14.21 -11.62 C:4 15.42 -13.75 C:13 20.35 -9.52 C:5 16.67 -13.01 C:9 17.89 -10.92 C:10 16.67 -11.62 C:8 19.12 -11.62 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 18 1 15 19 1 16 20 1 16 24 1 17 18 1 17 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.67 -14.02 H 17.89 -11.90 C 16.39 -14.79 C 14.41 -14.70 C 20.35 -8.08 C 16.67 -10.22 O 15.42 -9.52 O 13.00 -10.92 C 21.50 -10.50 C 20.70 -11.90 C 19.12 -8.79 C 17.89 -9.52 C 17.89 -13.75 C 19.12 -13.01 C 14.21 -13.01 C 20.35 -10.92 C 15.42 -10.92 C 14.21 -11.62 C 15.42 -13.75 C 20.35 -9.52 C 16.67 -13.01 C 17.89 -10.92 C 16.67 -11.62 C 19.12 -11.62 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 18 1 15 19 1 16 20 1 16 24 1 17 18 1 17 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.67 -14.02 H 17.89 -11.90 C:33 16.39 -14.79 C:23 14.41 -14.70 C:25 20.35 -8.08 C:15 16.67 -10.22 O 15.42 -9.52 O 13.00 -10.92 C:138 21.50 -10.50 C:143 20.70 -11.90 C:33 19.12 -8.79 C:22 17.89 -9.52 C:20 17.89 -13.75 C:37 19.12 -13.01 C:54 14.21 -13.01 C:61 20.35 -10.92 C:217 15.42 -10.92 C:69 14.21 -11.62 C:34 15.42 -13.75 C:44 20.35 -9.52 C:59 16.67 -13.01 C:45 17.89 -10.92 C:51 16.67 -11.62 C:49 19.12 -11.62 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 18 1 15 19 1 16 20 1 16 24 1 17 18 1 17 23 1 19 21 1 21 23 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', 'ph32_937_22', 3700, '', '', '1', 47, NULL, NULL),
(14503, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[C:2](=O)[CH2:3][C@:4]3([CH3:19])[CH3:18])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@@H](O)C(=O)C[C@]3(C)C)C4', '[H][C@:48]23[CH2:20][CH2:36][C@@:49]14[CH:135]=[CH:137][C@@:44]([CH3:25])([CH2:33][CH2:20][C@@:43]1([H])[C@:45]2([CH3:14])[C@@H:79](O)[C:214](=O)[CH2:51][C@:40]3([CH3:24])[CH3:33])[CH2:61]4', '24 27 H 16.67 -14.02 H 17.89 -11.90 C:19 14.41 -14.70 C:18 16.39 -14.79 C:17 20.35 -8.08 C:20 16.67 -10.22 O 13.00 -10.92 O 15.42 -9.52 C:16 21.50 -10.50 C:15 20.70 -11.90 C:12 19.12 -8.79 C:11 17.89 -9.52 C:6 17.89 -13.75 C:7 19.12 -13.01 C:3 14.21 -13.01 C:14 20.35 -10.92 C:2 14.21 -11.62 C:1 15.42 -10.92 C:4 15.42 -13.75 C:13 20.35 -9.52 C:5 16.67 -13.01 C:9 17.89 -10.92 C:10 16.67 -11.62 C:8 19.12 -11.62 21 1 -1 22 2 -1 19 3 -2 19 4 -1 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 17 1 15 19 1 16 20 1 16 24 1 17 18 1 18 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.67 -14.02 H 17.89 -11.90 C 14.41 -14.70 C 16.39 -14.79 C 20.35 -8.08 C 16.67 -10.22 O 13.00 -10.92 O 15.42 -9.52 C 21.50 -10.50 C 20.70 -11.90 C 19.12 -8.79 C 17.89 -9.52 C 17.89 -13.75 C 19.12 -13.01 C 14.21 -13.01 C 20.35 -10.92 C 14.21 -11.62 C 15.42 -10.92 C 15.42 -13.75 C 20.35 -9.52 C 16.67 -13.01 C 17.89 -10.92 C 16.67 -11.62 C 19.12 -11.62 21 1 -1 22 2 -1 19 3 -2 19 4 -1 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 17 1 15 19 1 16 20 1 16 24 1 17 18 1 18 23 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.67 -14.02 H 17.89 -11.90 C:24 14.41 -14.70 C:33 16.39 -14.79 C:25 20.35 -8.08 C:14 16.67 -10.22 O 13.00 -10.92 O 15.42 -9.52 C:137 21.50 -10.50 C:135 20.70 -11.90 C:33 19.12 -8.79 C:20 17.89 -9.52 C:20 17.89 -13.75 C:36 19.12 -13.01 C:51 14.21 -13.01 C:61 20.35 -10.92 C:214 14.21 -11.62 C:79 15.42 -10.92 C:40 15.42 -13.75 C:44 20.35 -9.52 C:48 16.67 -13.01 C:43 17.89 -10.92 C:45 16.67 -11.62 C:49 19.12 -11.62 21 1 -1 22 2 -1 19 3 -2 19 4 -1 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 2 20 9 -2 24 10 -2 11 12 1 11 20 1 12 22 1 13 14 1 13 21 1 14 24 1 15 17 1 15 19 1 16 20 1 16 24 1 17 18 1 18 23 1 19 21 1 21 23 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', 'ph32_937_23', 3700, '', '', '1', 47, NULL, NULL),
(14504, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@@H](O)CC[C@@]3(C)C)C4', '[H][C@:49]23[CH2:20][CH2:37][C@@:49]14[CH:135]=[CH:137][C@@:44]([CH3:25])([CH2:33][CH2:20][C@@:45]1([H])[C@:41]2([CH3:16])[C@@H:71](O)[CH2:26][CH2:35][C@@:33]3([CH3:34])[CH3:22])[CH2:62]4', '23 26 H 16.06 -14.02 H 17.28 -11.90 C:18 15.78 -14.80 C:19 13.79 -14.71 C:17 19.74 -8.09 C:20 16.06 -10.23 O 14.81 -9.53 C:16 20.90 -10.51 C:15 20.10 -11.90 C:2 13.59 -11.62 C:3 13.59 -13.01 C:12 18.51 -8.80 C:11 17.28 -9.53 C:6 17.28 -13.75 C:7 18.51 -13.01 C:14 19.74 -10.93 C:1 14.81 -10.93 C:4 14.81 -13.75 C:13 19.74 -9.53 C:5 16.06 -13.01 C:9 17.28 -10.93 C:10 16.06 -11.62 C:8 18.51 -11.62 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 17 7 -2 8 9 2 19 8 -2 23 9 -2 10 11 1 10 17 1 11 18 1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 23 1 16 19 1 16 23 1 17 22 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.06 -14.02 H 17.28 -11.90 C 15.78 -14.80 C 13.79 -14.71 C 19.74 -8.09 C 16.06 -10.23 O 14.81 -9.53 C 20.90 -10.51 C 20.10 -11.90 C 13.59 -11.62 C 13.59 -13.01 C 18.51 -8.80 C 17.28 -9.53 C 17.28 -13.75 C 18.51 -13.01 C 19.74 -10.93 C 14.81 -10.93 C 14.81 -13.75 C 19.74 -9.53 C 16.06 -13.01 C 17.28 -10.93 C 16.06 -11.62 C 18.51 -11.62 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 17 7 -2 8 9 2 19 8 -2 23 9 -2 10 11 1 10 17 1 11 18 1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 23 1 16 19 1 16 23 1 17 22 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.06 -14.02 H 17.28 -11.90 C:34 15.78 -14.80 C:22 13.79 -14.71 C:25 19.74 -8.09 C:16 16.06 -10.23 O 14.81 -9.53 C:137 20.90 -10.51 C:135 20.10 -11.90 C:26 13.59 -11.62 C:35 13.59 -13.01 C:33 18.51 -8.80 C:20 17.28 -9.53 C:20 17.28 -13.75 C:37 18.51 -13.01 C:62 19.74 -10.93 C:71 14.81 -10.93 C:33 14.81 -13.75 C:44 19.74 -9.53 C:49 16.06 -13.01 C:45 17.28 -10.93 C:41 16.06 -11.62 C:49 18.51 -11.62 20 1 -1 21 2 -1 18 3 -1 18 4 -2 5 19 1 22 6 -2 17 7 -2 8 9 2 19 8 -2 23 9 -2 10 11 1 10 17 1 11 18 1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 23 1 16 19 1 16 23 1 17 22 1 18 20 1 20 22 1 21 22 1 21 23 1', 'C20H32O', 288.229, 'C', 'ph32_937_31', 3700, '', '', '1', 47, NULL, NULL),
(14505, '', '1β,11β-Dihydroxyerythroxydiol-15,16-diacetate', 'Terpenoids', 'Diterpenoids', 'Devadaranes', '[H][C@@:8]34[CH2:7][CH2:6][C@@:5]12[CH2:19][C@:4]1([CH3:18])[CH2:3][CH2:2][C@H:1](O)[C@:10]2([H])[C@@:9]3([CH3:20])[C@H:11](O)[CH2:12][C@:13]([CH3:17])([CH:15]([CH2:16]O[C:16001]([CH3:16002])=O)O[C:15001]([CH3:15002])=O)[CH2:14]4', '[H][C@@]34CC[C@@]12C[C@]1(C)CC[C@H](O)[C@]2([H])[C@@]3(C)[C@H](O)C[C@](C)(C(COC(C)=O)OC(C)=O)C4', '[H][C@@:42]34[CH2:28][CH2:34][C@@:28]12[CH2:27][C@:17]1([CH3:23])[CH2:30][CH2:29][C@H:68](O)[C@:53]2([H])[C@@:43]3([CH3:10])[C@H:78](O)[CH2:35][C@:37]([CH3:20])([CH:78]([CH2:63]O[C:171]([CH3:21])=O)O[C:171]([CH3:21])=O)[CH2:36]4', '32 35 H 16.67 -12.58 H 14.19 -12.52 C:16002 21.62 -6.49 C:15002 22.82 -11.45 C:17 19.17 -12.07 C:18 11.72 -16.41 C:20 15.43 -14.24 O 19.17 -6.49 O 21.62 -9.27 O 12.94 -11.45 O 14.27 -10.62 C:2 11.72 -13.58 C:16 19.17 -9.27 C:3 11.72 -15.01 C:7 16.67 -15.01 C:6 15.43 -15.72 C:12 16.67 -10.70 C:14 17.92 -12.84 C:19 14.19 -16.41 O 20.40 -8.57 O 20.40 -11.38 C:16001 20.40 -7.17 C:15001 21.62 -10.70 C:1 12.94 -12.84 C:11 15.43 -11.38 C:15 19.17 -10.70 C:8 16.67 -13.58 C:13 17.92 -11.38 C:4 12.94 -15.72 C:10 14.19 -13.58 C:9 15.43 -12.84 C:5 14.19 -15.01 27 1 -1 30 2 -1 3 22 1 4 23 1 28 5 -1 29 6 -1 31 7 -2 8 22 2 9 23 2 24 10 -2 25 11 -2 12 14 1 12 24 1 13 20 1 13 26 1 14 29 1 15 16 1 15 27 1 16 32 1 17 25 1 17 28 1 18 27 1 18 28 1 29 19 -2 32 19 -2 20 22 1 21 23 1 21 26 1 24 30 1 25 31 1 26 28 1 27 31 1 29 32 1 30 31 1 30 32 1', '32 35 H 16.67 -12.58 H 14.19 -12.52 C 21.62 -6.49 C 22.82 -11.45 C 19.17 -12.07 C 11.72 -16.41 C 15.43 -14.24 O 19.17 -6.49 O 21.62 -9.27 O 12.94 -11.45 O 14.27 -10.62 C 11.72 -13.58 C 19.17 -9.27 C 11.72 -15.01 C 16.67 -15.01 C 15.43 -15.72 C 16.67 -10.70 C 17.92 -12.84 C 14.19 -16.41 O 20.40 -8.57 O 20.40 -11.38 C 20.40 -7.17 C 21.62 -10.70 C 12.94 -12.84 C 15.43 -11.38 C 19.17 -10.70 C 16.67 -13.58 C 17.92 -11.38 C 12.94 -15.72 C 14.19 -13.58 C 15.43 -12.84 C 14.19 -15.01 27 1 -1 30 2 -1 3 22 1 4 23 1 28 5 -1 29 6 -1 31 7 -2 8 22 2 9 23 2 24 10 -2 25 11 -2 12 14 1 12 24 1 13 20 1 13 26 1 14 29 1 15 16 1 15 27 1 16 32 1 17 25 1 17 28 1 18 27 1 18 28 1 29 19 -2 32 19 -2 20 22 1 21 23 1 21 26 1 24 30 1 25 31 1 26 28 1 27 31 1 29 32 1 30 31 1 30 32 1', '32 35 H 16.67 -12.58 H 14.19 -12.52 C:21 21.62 -6.49 C:21 22.82 -11.45 C:20 19.17 -12.07 C:23 11.72 -16.41 C:10 15.43 -14.24 O 19.17 -6.49 O 21.62 -9.27 O 12.94 -11.45 O 14.27 -10.62 C:29 11.72 -13.58 C:63 19.17 -9.27 C:30 11.72 -15.01 C:28 16.67 -15.01 C:34 15.43 -15.72 C:35 16.67 -10.70 C:36 17.92 -12.84 C:27 14.19 -16.41 O 20.40 -8.57 O 20.40 -11.38 C:171 20.40 -7.17 C:171 21.62 -10.70 C:68 12.94 -12.84 C:78 15.43 -11.38 C:78 19.17 -10.70 C:42 16.67 -13.58 C:37 17.92 -11.38 C:17 12.94 -15.72 C:53 14.19 -13.58 C:43 15.43 -12.84 C:28 14.19 -15.01 27 1 -1 30 2 -1 3 22 1 4 23 1 28 5 -1 29 6 -1 31 7 -2 8 22 2 9 23 2 24 10 -2 25 11 -2 12 14 1 12 24 1 13 20 1 13 26 1 14 29 1 15 16 1 15 27 1 16 32 1 17 25 1 17 28 1 18 27 1 18 28 1 29 19 -2 32 19 -2 20 22 1 21 23 1 21 26 1 24 30 1 25 31 1 26 28 1 27 31 1 29 32 1 30 31 1 30 32 1', 'C24H38O6', 422.269, 'C', 'ph32_937_9diAc', 3700, '', '', '1', 47, NULL, NULL),
(14506, '', '11β-Hydroxyerythroxydiol-1β,15,16-triacetate', 'Terpenoids', 'Diterpenoids', 'Devadaranes', '[H][C@@:8]34[CH2:7][CH2:6][C@@:5]12[CH2:19][C@:4]1([CH3:18])[CH2:3][CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@:10]2([H])[C@@:9]3([CH3:20])[C@H:11](O)[CH2:12][C@:13]([CH3:17])([CH:15]([CH2:16]O[C:16001]([CH3:16002])=O)O[C:15001]([CH3:15002])=O)[CH2:14]4', '[H][C@@]34CC[C@@]12C[C@]1(C)CC[C@H](OC(C)=O)[C@]2([H])[C@@]3(C)[C@H](O)C[C@](C)(C(COC(C)=O)OC(C)=O)C4', '[H][C@@:42]34[CH2:28][CH2:35][C@@:24]12[CH2:28][C@:17]1([CH3:22])[CH2:30][CH2:29][C@H:68](O[C:171]([CH3:21])=O)[C@:53]2([H])[C@@:45]3([CH3:8])[C@H:73](O)[CH2:39][C@:38]([CH3:20])([CH:79]([CH2:63]O[C:170]([CH3:21])=O)O[C:171]([CH3:21])=O)[CH2:36]4', '35 38 H 17.28 -12.53 H 14.80 -12.47 C:16002 22.24 -6.44 C:1002 12.26 -9.45 C:15002 23.44 -11.40 C:17 19.79 -12.02 C:18 12.33 -16.36 C:20 16.04 -14.19 O 19.79 -6.44 O 11.09 -11.62 O 22.24 -9.22 O 14.88 -10.57 C:2 12.33 -13.53 C:16 19.79 -9.22 C:3 12.33 -14.96 C:7 17.28 -14.96 C:6 16.04 -15.67 C:12 17.28 -10.65 C:14 18.54 -12.79 C:19 14.80 -16.36 O 21.02 -8.52 O 13.55 -11.40 O 21.02 -11.33 C:16001 21.02 -7.12 C:1001 12.26 -10.85 C:15001 22.24 -10.65 C:11 16.04 -11.33 C:1 13.55 -12.79 C:15 19.79 -10.65 C:8 17.28 -13.53 C:13 18.54 -11.33 C:4 13.55 -15.67 C:10 14.80 -13.53 C:9 16.04 -12.79 C:5 14.80 -14.96 30 1 -1 33 2 -1 3 24 1 4 25 1 5 26 1 31 6 -1 32 7 -1 34 8 -2 9 24 2 10 25 2 11 26 2 27 12 -2 13 15 1 13 28 1 14 21 1 14 29 1 15 32 1 16 17 1 16 30 1 17 35 1 18 27 1 18 31 1 19 30 1 19 31 1 32 20 -2 35 20 -2 21 24 1 22 25 1 28 22 -2 23 26 1 23 29 1 27 34 1 28 33 1 29 31 1 30 34 1 32 35 1 33 34 1 33 35 1', '35 38 H 17.28 -12.53 H 14.80 -12.47 C 22.24 -6.44 C 12.26 -9.45 C 23.44 -11.40 C 19.79 -12.02 C 12.33 -16.36 C 16.04 -14.19 O 19.79 -6.44 O 11.09 -11.62 O 22.24 -9.22 O 14.88 -10.57 C 12.33 -13.53 C 19.79 -9.22 C 12.33 -14.96 C 17.28 -14.96 C 16.04 -15.67 C 17.28 -10.65 C 18.54 -12.79 C 14.80 -16.36 O 21.02 -8.52 O 13.55 -11.40 O 21.02 -11.33 C 21.02 -7.12 C 12.26 -10.85 C 22.24 -10.65 C 16.04 -11.33 C 13.55 -12.79 C 19.79 -10.65 C 17.28 -13.53 C 18.54 -11.33 C 13.55 -15.67 C 14.80 -13.53 C 16.04 -12.79 C 14.80 -14.96 30 1 -1 33 2 -1 3 24 1 4 25 1 5 26 1 31 6 -1 32 7 -1 34 8 -2 9 24 2 10 25 2 11 26 2 27 12 -2 13 15 1 13 28 1 14 21 1 14 29 1 15 32 1 16 17 1 16 30 1 17 35 1 18 27 1 18 31 1 19 30 1 19 31 1 32 20 -2 35 20 -2 21 24 1 22 25 1 28 22 -2 23 26 1 23 29 1 27 34 1 28 33 1 29 31 1 30 34 1 32 35 1 33 34 1 33 35 1', '35 38 H 17.28 -12.53 H 14.80 -12.47 C:21 22.24 -6.44 C:21 12.26 -9.45 C:21 23.44 -11.40 C:20 19.79 -12.02 C:22 12.33 -16.36 C:8 16.04 -14.19 O 19.79 -6.44 O 11.09 -11.62 O 22.24 -9.22 O 14.88 -10.57 C:29 12.33 -13.53 C:63 19.79 -9.22 C:30 12.33 -14.96 C:28 17.28 -14.96 C:35 16.04 -15.67 C:39 17.28 -10.65 C:36 18.54 -12.79 C:28 14.80 -16.36 O 21.02 -8.52 O 13.55 -11.40 O 21.02 -11.33 C:170 21.02 -7.12 C:171 12.26 -10.85 C:171 22.24 -10.65 C:73 16.04 -11.33 C:68 13.55 -12.79 C:79 19.79 -10.65 C:42 17.28 -13.53 C:38 18.54 -11.33 C:17 13.55 -15.67 C:53 14.80 -13.53 C:45 16.04 -12.79 C:24 14.80 -14.96 30 1 -1 33 2 -1 3 24 1 4 25 1 5 26 1 31 6 -1 32 7 -1 34 8 -2 9 24 2 10 25 2 11 26 2 27 12 -2 13 15 1 13 28 1 14 21 1 14 29 1 15 32 1 16 17 1 16 30 1 17 35 1 18 27 1 18 31 1 19 30 1 19 31 1 32 20 -2 35 20 -2 21 24 1 22 25 1 28 22 -2 23 26 1 23 29 1 27 34 1 28 33 1 29 31 1 30 34 1 32 35 1 33 34 1 33 35 1', 'C26H40O7', 464.29, 'C', 'ph32_937_9triAc', 3700, '', '', '1', 47, NULL, NULL),
(14507, '', 'Ent-16β-hydroxybeyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C@@H:16](O)[C@@:13]([CH3:17])([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)[CH2:14]4', '[H][C@]23CC[C@@]14C[C@@H](O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:57]23[CH2:23][CH2:43][C@@:43]14[CH2:44][C@@H:80](O)[C@@:43]([CH3:26])([CH2:35][CH2:21][C@@:57]1([H])[C@:39]2([CH3:14])[CH2:41][CH2:20][CH2:39][C@@:44]3([CH3:30])[C:180](=O)O)[CH2:56]4', '25 28 H 15.95 -13.37 H 17.17 -11.26 C:17 19.62 -7.43 C:18 15.67 -14.13 C:20 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 C:2 13.50 -10.97 C:3 13.50 -12.37 C:1 14.70 -10.26 C:12 18.39 -8.13 C:11 17.17 -8.84 C:6 17.17 -13.10 C:7 18.39 -12.37 C:15 19.97 -11.26 C:14 19.62 -10.26 C:19 13.69 -14.04 C:16 20.77 -9.84 C:13 19.62 -8.84 C:5 15.95 -12.37 C:9 17.17 -10.26 C:4 14.70 -13.10 C:10 15.95 -10.97 C:8 18.39 -10.97 21 1 -1 22 2 -1 3 20 1 23 4 -1 24 5 -2 6 18 2 7 18 1 19 8 -2 9 10 1 9 11 1 10 23 1 11 24 1 12 13 1 12 20 1 13 22 1 14 15 1 14 21 1 15 25 1 16 19 1 16 25 1 20 17 -1 25 17 -1 23 18 -2 19 20 1 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 15.95 -13.37 H 17.17 -11.26 C 19.62 -7.43 C 15.67 -14.13 C 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 C 13.50 -10.97 C 13.50 -12.37 C 14.70 -10.26 C 18.39 -8.13 C 17.17 -8.84 C 17.17 -13.10 C 18.39 -12.37 C 19.97 -11.26 C 19.62 -10.26 C 13.69 -14.04 C 20.77 -9.84 C 19.62 -8.84 C 15.95 -12.37 C 17.17 -10.26 C 14.70 -13.10 C 15.95 -10.97 C 18.39 -10.97 21 1 -1 22 2 -1 3 20 1 23 4 -1 24 5 -2 6 18 2 7 18 1 19 8 -2 9 10 1 9 11 1 10 23 1 11 24 1 12 13 1 12 20 1 13 22 1 14 15 1 14 21 1 15 25 1 16 19 1 16 25 1 20 17 -1 25 17 -1 23 18 -2 19 20 1 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 15.95 -13.37 H 17.17 -11.26 C:26 19.62 -7.43 C:30 15.67 -14.13 C:14 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 C:20 13.50 -10.97 C:39 13.50 -12.37 C:41 14.70 -10.26 C:35 18.39 -8.13 C:21 17.17 -8.84 C:23 17.17 -13.10 C:43 18.39 -12.37 C:44 19.97 -11.26 C:56 19.62 -10.26 C:180 13.69 -14.04 C:80 20.77 -9.84 C:43 19.62 -8.84 C:57 15.95 -12.37 C:57 17.17 -10.26 C:44 14.70 -13.10 C:39 15.95 -10.97 C:43 18.39 -10.97 21 1 -1 22 2 -1 3 20 1 23 4 -1 24 5 -2 6 18 2 7 18 1 19 8 -2 9 10 1 9 11 1 10 23 1 11 24 1 12 13 1 12 20 1 13 22 1 14 15 1 14 21 1 15 25 1 16 19 1 16 25 1 20 17 -1 25 17 -1 23 18 -2 19 20 1 21 23 1 21 24 1 22 24 1 22 25 1', 'C20H32O3', 320.228, 'P', 'pm07_1581_1', 3701, '', '', '1', 47, NULL, NULL),
(14508, '', 'Ent-7α,16β-dihydroxybeyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][C@H:7](O)[C@@:8]14[CH2:15][C@@H:16](O)[C@@:13]([CH3:17])([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)[CH2:14]4', '[H][C@]23C[C@H](O)[C@@]14C[C@@H](O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:48]23[CH2:31][C@H:77](O)[C@@:43]14[CH2:44][C@@H:80](O)[C@@:48]([CH3:27])([CH2:35][CH2:21][C@@:52]1([H])[C@:39]2([CH3:15])[CH2:41][CH2:21][CH2:40][C@@:44]3([CH3:30])[C:182](=O)O)[CH2:53]4', '26 29 H 15.95 -13.37 H 17.17 -11.26 C:17 19.62 -7.43 C:18 15.67 -14.13 C:20 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 O 19.62 -13.04 C:2 13.50 -10.97 C:3 13.50 -12.37 C:1 14.70 -10.26 C:12 18.39 -8.13 C:11 17.17 -8.84 C:6 17.17 -13.10 C:15 19.97 -11.26 C:14 19.62 -10.26 C:19 13.69 -14.04 C:16 20.77 -9.84 C:7 18.39 -12.37 C:13 19.62 -8.84 C:5 15.95 -12.37 C:9 17.17 -10.26 C:4 14.70 -13.10 C:10 15.95 -10.97 C:8 18.39 -10.97 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 18 2 7 18 1 19 8 -2 20 9 -1 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 21 1 14 23 1 15 20 1 15 22 1 16 19 1 16 26 1 21 17 -1 26 17 -1 24 18 -2 19 21 1 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 15.95 -13.37 H 17.17 -11.26 C 19.62 -7.43 C 15.67 -14.13 C 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 O 19.62 -13.04 C 13.50 -10.97 C 13.50 -12.37 C 14.70 -10.26 C 18.39 -8.13 C 17.17 -8.84 C 17.17 -13.10 C 19.97 -11.26 C 19.62 -10.26 C 13.69 -14.04 C 20.77 -9.84 C 18.39 -12.37 C 19.62 -8.84 C 15.95 -12.37 C 17.17 -10.26 C 14.70 -13.10 C 15.95 -10.97 C 18.39 -10.97 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 18 2 7 18 1 19 8 -2 20 9 -1 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 21 1 14 23 1 15 20 1 15 22 1 16 19 1 16 26 1 21 17 -1 26 17 -1 24 18 -2 19 21 1 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 15.95 -13.37 H 17.17 -11.26 C:27 19.62 -7.43 C:30 15.67 -14.13 C:15 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 O 19.62 -13.04 C:21 13.50 -10.97 C:40 13.50 -12.37 C:41 14.70 -10.26 C:35 18.39 -8.13 C:21 17.17 -8.84 C:31 17.17 -13.10 C:44 19.97 -11.26 C:53 19.62 -10.26 C:182 13.69 -14.04 C:80 20.77 -9.84 C:77 18.39 -12.37 C:48 19.62 -8.84 C:48 15.95 -12.37 C:52 17.17 -10.26 C:44 14.70 -13.10 C:39 15.95 -10.97 C:43 18.39 -10.97 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 18 2 7 18 1 19 8 -2 20 9 -1 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 21 1 14 23 1 15 20 1 15 22 1 16 19 1 16 26 1 21 17 -1 26 17 -1 24 18 -2 19 21 1 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H32O4', 336.227, 'P', 'pm07_1581_2', 3701, '', '', '1', 47, NULL, NULL),
(14509, '', 'Ent-14β,16β-dihydroxybeyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C@@H:16](O)[C@@:13]([CH3:17])([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:14]4O', '[H][C@]23CC[C@@]14C[C@@H](O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@@H]4O', '[H][C@:58]23[CH2:23][CH2:43][C@@:44]14[CH2:44][C@@H:81](O)[C@@:48]([CH3:24])([CH2:50][CH2:31][C@@:52]1([H])[C@:39]2([CH3:15])[CH2:41][CH2:20][CH2:39][C@@:45]3([CH3:30])[C:181](=O)O)[C@@H:72]4O', '26 29 H 15.95 -13.37 H 17.17 -11.26 C:18 15.67 -14.13 C:17 19.62 -7.43 C:20 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 O 20.83 -10.97 C:2 13.50 -10.97 C:3 13.50 -12.37 C:1 14.70 -10.26 C:6 17.17 -13.10 C:11 17.17 -8.84 C:12 18.39 -8.13 C:7 18.39 -12.37 C:15 19.97 -11.26 C:19 13.69 -14.04 C:16 20.77 -9.84 C:14 19.62 -10.26 C:5 15.95 -12.37 C:9 17.17 -10.26 C:4 14.70 -13.10 C:13 19.62 -8.84 C:10 15.95 -10.97 C:8 18.39 -10.97 21 1 -1 22 2 -1 23 3 -1 4 24 1 25 5 -2 6 18 2 7 18 1 19 8 -2 20 9 -2 10 11 1 10 12 1 11 23 1 12 25 1 13 16 1 13 21 1 14 15 1 14 22 1 15 24 1 16 26 1 17 19 1 17 26 1 23 18 -2 19 24 1 24 20 -1 26 20 -1 21 23 1 21 25 1 22 25 1 22 26 1', '26 29 H 15.95 -13.37 H 17.17 -11.26 C 15.67 -14.13 C 19.62 -7.43 C 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 O 20.83 -10.97 C 13.50 -10.97 C 13.50 -12.37 C 14.70 -10.26 C 17.17 -13.10 C 17.17 -8.84 C 18.39 -8.13 C 18.39 -12.37 C 19.97 -11.26 C 13.69 -14.04 C 20.77 -9.84 C 19.62 -10.26 C 15.95 -12.37 C 17.17 -10.26 C 14.70 -13.10 C 19.62 -8.84 C 15.95 -10.97 C 18.39 -10.97 21 1 -1 22 2 -1 23 3 -1 4 24 1 25 5 -2 6 18 2 7 18 1 19 8 -2 20 9 -2 10 11 1 10 12 1 11 23 1 12 25 1 13 16 1 13 21 1 14 15 1 14 22 1 15 24 1 16 26 1 17 19 1 17 26 1 23 18 -2 19 24 1 24 20 -1 26 20 -1 21 23 1 21 25 1 22 25 1 22 26 1', '26 29 H 15.95 -13.37 H 17.17 -11.26 C:30 15.67 -14.13 C:24 19.62 -7.43 C:15 15.95 -9.56 O 12.36 -13.63 O 14.02 -15.40 O 22.13 -9.56 O 20.83 -10.97 C:20 13.50 -10.97 C:39 13.50 -12.37 C:41 14.70 -10.26 C:23 17.17 -13.10 C:31 17.17 -8.84 C:50 18.39 -8.13 C:43 18.39 -12.37 C:44 19.97 -11.26 C:181 13.69 -14.04 C:81 20.77 -9.84 C:72 19.62 -10.26 C:58 15.95 -12.37 C:52 17.17 -10.26 C:45 14.70 -13.10 C:48 19.62 -8.84 C:39 15.95 -10.97 C:44 18.39 -10.97 21 1 -1 22 2 -1 23 3 -1 4 24 1 25 5 -2 6 18 2 7 18 1 19 8 -2 20 9 -2 10 11 1 10 12 1 11 23 1 12 25 1 13 16 1 13 21 1 14 15 1 14 22 1 15 24 1 16 26 1 17 19 1 17 26 1 23 18 -2 19 24 1 24 20 -1 26 20 -1 21 23 1 21 25 1 22 25 1 22 26 1', 'C20H32O4', 336.227, 'P', 'pm07_1581_3', 3701, '', '', '1', 47, NULL, NULL),
(14510, '', 'Ent-12β-hydroxy-16-oxobeyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]34[CH2:6][CH2:7][C@:8]12[CH2:15][C:16](=O)[C@:13]([CH3:17])([CH2:14]1)[C@@H:12](O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[C:19](=O)O', '[H][C@]34CC[C@]12CC(=O)[C@](C)(C1)[C@@H](O)C[C@@]2([H])[C@]3(C)CCC[C@@]4(C)C(=O)O', '[H][C@:57]34[CH2:23][CH2:42][C@:40]12[CH2:49][C:219](=O)[C@:55]([CH3:18])([CH2:53]1)[C@@H:77](O)[CH2:32][C@@:55]2([H])[C@:39]3([CH3:14])[CH2:41][CH2:20][CH2:39][C@@:44]4([CH3:30])[C:181](=O)O', '26 29 H 15.95 -13.71 H 17.17 -11.60 C:17 19.62 -7.77 C:18 15.67 -14.47 C:20 15.95 -9.90 O 12.36 -13.97 O 22.13 -9.90 O 14.02 -15.74 O 18.39 -7.07 C:2 13.50 -11.31 C:3 13.50 -12.71 C:1 14.70 -10.60 C:6 17.17 -13.44 C:7 18.39 -12.71 C:15 19.97 -11.60 C:11 17.17 -9.18 C:14 19.62 -10.60 C:19 13.69 -14.38 C:16 20.77 -10.18 C:12 18.39 -8.47 C:13 19.62 -9.18 C:5 15.95 -12.71 C:9 17.17 -10.60 C:4 14.70 -13.44 C:10 15.95 -11.31 C:8 18.39 -11.31 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 26 1 15 19 1 15 26 1 16 20 1 16 23 1 21 17 -1 26 17 -1 24 18 -2 19 21 1 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 15.95 -13.71 H 17.17 -11.60 C 19.62 -7.77 C 15.67 -14.47 C 15.95 -9.90 O 12.36 -13.97 O 22.13 -9.90 O 14.02 -15.74 O 18.39 -7.07 C 13.50 -11.31 C 13.50 -12.71 C 14.70 -10.60 C 17.17 -13.44 C 18.39 -12.71 C 19.97 -11.60 C 17.17 -9.18 C 19.62 -10.60 C 13.69 -14.38 C 20.77 -10.18 C 18.39 -8.47 C 19.62 -9.18 C 15.95 -12.71 C 17.17 -10.60 C 14.70 -13.44 C 15.95 -11.31 C 18.39 -11.31 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 26 1 15 19 1 15 26 1 16 20 1 16 23 1 21 17 -1 26 17 -1 24 18 -2 19 21 1 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 15.95 -13.71 H 17.17 -11.60 C:18 19.62 -7.77 C:30 15.67 -14.47 C:14 15.95 -9.90 O 12.36 -13.97 O 22.13 -9.90 O 14.02 -15.74 O 18.39 -7.07 C:20 13.50 -11.31 C:39 13.50 -12.71 C:41 14.70 -10.60 C:23 17.17 -13.44 C:42 18.39 -12.71 C:49 19.97 -11.60 C:32 17.17 -9.18 C:53 19.62 -10.60 C:181 13.69 -14.38 C:219 20.77 -10.18 C:77 18.39 -8.47 C:55 19.62 -9.18 C:57 15.95 -12.71 C:55 17.17 -10.60 C:44 14.70 -13.44 C:39 15.95 -11.31 C:40 18.39 -11.31 22 1 -1 23 2 -1 3 21 1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 26 1 15 19 1 15 26 1 16 20 1 16 23 1 21 17 -1 26 17 -1 24 18 -2 19 21 1 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H30O4', 334.227, 'P', 'pm07_1581_4', 3701, '', '', '1', 47, NULL, NULL),
(14511, '', 'Ent-7α,12β-dihydroxy-16-oxobeyeran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]34[CH2:6][C@H:7](O)[C@:8]12[CH2:15][C:16](=O)[C@:13]([CH3:17])([CH2:14]1)[C@@H:12](O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[C:19](=O)O', '[H][C@]34C[C@H](O)[C@]12CC(=O)[C@](C)(C1)[C@@H](O)C[C@@]2([H])[C@]3(C)CCC[C@@]4(C)C(=O)O', '[H][C@:48]34[CH2:31][C@H:75](O)[C@:45]12[CH2:48][C:219](=O)[C@:55]([CH3:18])([CH2:50]1)[C@@H:77](O)[CH2:32][C@@:49]2([H])[C@:39]3([CH3:14])[CH2:41][CH2:20][CH2:39][C@@:44]4([CH3:30])[C:181](=O)O', '27 30 H 15.95 -13.71 H 17.17 -11.60 C:17 19.62 -7.77 C:18 15.67 -14.47 C:20 15.95 -9.90 O 12.36 -13.97 O 22.13 -9.90 O 14.02 -15.74 O 18.39 -7.07 O 19.62 -13.38 C:2 13.50 -11.31 C:3 13.50 -12.71 C:1 14.70 -10.60 C:15 19.97 -11.60 C:11 17.17 -9.18 C:6 17.17 -13.44 C:14 19.62 -10.60 C:19 13.69 -14.38 C:16 20.77 -10.18 C:12 18.39 -8.47 C:7 18.39 -12.71 C:13 19.62 -9.18 C:5 15.95 -12.71 C:9 17.17 -10.60 C:4 14.70 -13.44 C:10 15.95 -11.31 C:8 18.39 -11.31 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 21 10 -1 11 12 1 11 13 1 12 25 1 13 26 1 14 19 1 14 27 1 15 20 1 15 24 1 16 21 1 16 23 1 22 17 -1 27 17 -1 25 18 -2 19 22 1 20 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 15.95 -13.71 H 17.17 -11.60 C 19.62 -7.77 C 15.67 -14.47 C 15.95 -9.90 O 12.36 -13.97 O 22.13 -9.90 O 14.02 -15.74 O 18.39 -7.07 O 19.62 -13.38 C 13.50 -11.31 C 13.50 -12.71 C 14.70 -10.60 C 19.97 -11.60 C 17.17 -9.18 C 17.17 -13.44 C 19.62 -10.60 C 13.69 -14.38 C 20.77 -10.18 C 18.39 -8.47 C 18.39 -12.71 C 19.62 -9.18 C 15.95 -12.71 C 17.17 -10.60 C 14.70 -13.44 C 15.95 -11.31 C 18.39 -11.31 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 21 10 -1 11 12 1 11 13 1 12 25 1 13 26 1 14 19 1 14 27 1 15 20 1 15 24 1 16 21 1 16 23 1 22 17 -1 27 17 -1 25 18 -2 19 22 1 20 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 30 H 15.95 -13.71 H 17.17 -11.60 C:18 19.62 -7.77 C:30 15.67 -14.47 C:14 15.95 -9.90 O 12.36 -13.97 O 22.13 -9.90 O 14.02 -15.74 O 18.39 -7.07 O 19.62 -13.38 C:20 13.50 -11.31 C:39 13.50 -12.71 C:41 14.70 -10.60 C:48 19.97 -11.60 C:32 17.17 -9.18 C:31 17.17 -13.44 C:50 19.62 -10.60 C:181 13.69 -14.38 C:219 20.77 -10.18 C:77 18.39 -8.47 C:75 18.39 -12.71 C:55 19.62 -9.18 C:48 15.95 -12.71 C:49 17.17 -10.60 C:44 14.70 -13.44 C:39 15.95 -11.31 C:45 18.39 -11.31 23 1 -1 24 2 -1 3 22 1 25 4 -1 26 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 21 10 -1 11 12 1 11 13 1 12 25 1 13 26 1 14 19 1 14 27 1 15 20 1 15 24 1 16 21 1 16 23 1 22 17 -1 27 17 -1 25 18 -2 19 22 1 20 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', 'C20H30O5', 350.227, 'P', 'pm07_1581_5', 3701, '', '', '1', 47, NULL, NULL),
(14512, 'Parvitexins A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[CH3:6002][C:6001](=O)O[C@H:6]2[CH2:7][C@H:8]([CH3:17])[C@@:9]4([CH3:20])[CH2:11][C@@:12]6([c:13]1[cH:14][cH:15]o[cH:16]1)O[CH2:19][C@@:5]25[C@:4]3([CH3:18])O[C@@H:3]3[CH2:2][CH2:1][C@@:10]45O6', 'CC(=O)O[C@H]2C[C@H](C)[C@@]4(C)C[C@@]6(c1ccoc1)OC[C@@]25[C@]3(C)O[C@@H]3CC[C@@]45O6', '[CH3:21][C:170](=O)O[C@H:73]2[CH2:35][C@H:33]([CH3:18])[C@@:46]4([CH3:21])[CH2:55][C@@:101]6([c:127]1[cH:109][cH:143]o[cH:140]1)O[CH2:63][C@@:38]25[C@:62]3([CH3:20])O[C@@H:57]3[CH2:21][CH2:26][C@@:85]45O6', '28 33 C:6002 18.90 -16.95 C:17 20.10 -11.11 C:20 18.78 -10.26 C:18 15.59 -15.04 O 20.10 -14.97 C:15 17.33 -5.87 C:14 17.72 -7.09 C:16 15.66 -7.09 C:2 14.45 -11.76 C:1 15.59 -11.11 C:19 16.69 -14.36 C:7 18.96 -13.07 C:11 17.79 -9.82 O 17.79 -12.41 O 17.79 -15.04 O 14.45 -14.36 O 16.10 -10.62 O 16.10 -5.87 C:6001 18.90 -15.67 C:13 16.69 -7.85 C:8 18.96 -11.76 C:3 14.45 -13.07 C:6 17.79 -13.73 C:9 17.79 -11.11 C:4 15.59 -13.73 C:12 16.69 -9.15 C:10 16.69 -11.76 C:5 16.69 -13.07 1 19 1 21 2 -1 24 3 -1 25 4 -1 5 19 2 6 7 2 6 18 1 7 20 1 8 18 1 8 20 2 9 10 1 9 22 1 10 27 1 11 14 1 28 11 -2 12 21 1 12 23 1 13 24 1 13 26 1 26 14 -2 15 19 1 23 15 -2 22 16 -2 16 25 1 17 26 1 27 17 -2 26 20 -2 21 24 1 22 25 1 23 28 1 24 27 1 25 28 1 27 28 1', '28 33 C 18.90 -16.95 C 20.10 -11.11 C 18.78 -10.26 C 15.59 -15.04 O 20.10 -14.97 C 17.33 -5.87 C 17.72 -7.09 C 15.66 -7.09 C 14.45 -11.76 C 15.59 -11.11 C 16.69 -14.36 C 18.96 -13.07 C 17.79 -9.82 O 17.79 -12.41 O 17.79 -15.04 O 14.45 -14.36 O 16.10 -10.62 O 16.10 -5.87 C 18.90 -15.67 C 16.69 -7.85 C 18.96 -11.76 C 14.45 -13.07 C 17.79 -13.73 C 17.79 -11.11 C 15.59 -13.73 C 16.69 -9.15 C 16.69 -11.76 C 16.69 -13.07 1 19 1 21 2 -1 24 3 -1 25 4 -1 5 19 2 6 7 2 6 18 1 7 20 1 8 18 1 8 20 2 9 10 1 9 22 1 10 27 1 11 14 1 28 11 -2 12 21 1 12 23 1 13 24 1 13 26 1 26 14 -2 15 19 1 23 15 -2 22 16 -2 16 25 1 17 26 1 27 17 -2 26 20 -2 21 24 1 22 25 1 23 28 1 24 27 1 25 28 1 27 28 1', '28 33 C:21 18.90 -16.95 C:18 20.10 -11.11 C:21 18.78 -10.26 C:20 15.59 -15.04 O 20.10 -14.97 C:143 17.33 -5.87 C:109 17.72 -7.09 C:140 15.66 -7.09 C:21 14.45 -11.76 C:26 15.59 -11.11 C:63 16.69 -14.36 C:35 18.96 -13.07 C:55 17.79 -9.82 O 17.79 -12.41 O 17.79 -15.04 O 14.45 -14.36 O 16.10 -10.62 O 16.10 -5.87 C:170 18.90 -15.67 C:127 16.69 -7.85 C:33 18.96 -11.76 C:57 14.45 -13.07 C:73 17.79 -13.73 C:46 17.79 -11.11 C:62 15.59 -13.73 C:101 16.69 -9.15 C:85 16.69 -11.76 C:38 16.69 -13.07 1 19 1 21 2 -1 24 3 -1 25 4 -1 5 19 2 6 7 2 6 18 1 7 20 1 8 18 1 8 20 2 9 10 1 9 22 1 10 27 1 11 14 1 28 11 -2 12 21 1 12 23 1 13 24 1 13 26 1 26 14 -2 15 19 1 23 15 -2 22 16 -2 16 25 1 17 26 1 27 17 -2 26 20 -2 21 24 1 22 25 1 23 28 1 24 27 1 25 28 1 27 28 1', 'C22H28O6', 388.232, 'C', 'bbb07_2751_1', 3702, '', '', '1', 47, NULL, NULL),
(14513, 'Parvitexins B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[CH3:6002][C:6001](=O)O[C@H:6]2[CH2:7][C@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][C@@:12]5([c:13]1[cH:14][cH:15]o[cH:16]1)O[CH2:19][C@@:5]24[C:4]([CH3:18])=[CH:3][CH2:2][CH2:1][C@@:10]34O5', 'CC(=O)O[C@H]2C[C@H](C)[C@@]3(C)C[C@@]5(c1ccoc1)OC[C@@]24C(C)=CCC[C@@]34O5', '[CH3:21][C:170](=O)O[C@H:78]2[CH2:34][C@H:34]([CH3:18])[C@@:46]3([CH3:22])[CH2:55][C@@:102]5([c:127]1[cH:108][cH:143]o[cH:140]1)O[CH2:63][C@@:41]24[C:136]([CH3:21])=[CH:125][CH2:23][CH2:26][C@@:85]34O5', '27 31 C:6002 18.86 -16.92 C:18 15.56 -15.01 C:17 20.05 -11.11 C:20 18.74 -10.26 O 20.05 -14.94 C:3 14.43 -13.05 C:15 17.29 -5.90 C:14 17.68 -7.12 C:16 15.63 -7.12 C:2 14.43 -11.76 C:1 15.56 -11.11 C:19 16.66 -14.34 C:7 18.92 -13.05 C:11 17.75 -9.83 O 17.75 -12.41 O 17.75 -15.01 O 16.07 -10.62 O 16.07 -5.90 C:6001 18.86 -15.64 C:4 15.56 -13.71 C:13 16.66 -7.87 C:8 18.92 -11.76 C:6 17.75 -13.71 C:9 17.75 -11.11 C:12 16.66 -9.16 C:10 16.66 -11.76 C:5 16.66 -13.05 1 19 1 2 20 1 22 3 -1 24 4 -1 5 19 2 6 10 1 6 20 2 7 8 2 7 18 1 8 21 1 9 18 1 9 21 2 10 11 1 11 26 1 12 15 1 27 12 -2 13 22 1 13 23 1 14 24 1 14 25 1 25 15 -2 16 19 1 23 16 -2 17 25 1 26 17 -2 20 27 1 25 21 -2 22 24 1 23 27 1 24 26 1 26 27 1', '27 31 C 18.86 -16.92 C 15.56 -15.01 C 20.05 -11.11 C 18.74 -10.26 O 20.05 -14.94 C 14.43 -13.05 C 17.29 -5.90 C 17.68 -7.12 C 15.63 -7.12 C 14.43 -11.76 C 15.56 -11.11 C 16.66 -14.34 C 18.92 -13.05 C 17.75 -9.83 O 17.75 -12.41 O 17.75 -15.01 O 16.07 -10.62 O 16.07 -5.90 C 18.86 -15.64 C 15.56 -13.71 C 16.66 -7.87 C 18.92 -11.76 C 17.75 -13.71 C 17.75 -11.11 C 16.66 -9.16 C 16.66 -11.76 C 16.66 -13.05 1 19 1 2 20 1 22 3 -1 24 4 -1 5 19 2 6 10 1 6 20 2 7 8 2 7 18 1 8 21 1 9 18 1 9 21 2 10 11 1 11 26 1 12 15 1 27 12 -2 13 22 1 13 23 1 14 24 1 14 25 1 25 15 -2 16 19 1 23 16 -2 17 25 1 26 17 -2 20 27 1 25 21 -2 22 24 1 23 27 1 24 26 1 26 27 1', '27 31 C:21 18.86 -16.92 C:21 15.56 -15.01 C:18 20.05 -11.11 C:22 18.74 -10.26 O 20.05 -14.94 C:125 14.43 -13.05 C:143 17.29 -5.90 C:108 17.68 -7.12 C:140 15.63 -7.12 C:23 14.43 -11.76 C:26 15.56 -11.11 C:63 16.66 -14.34 C:34 18.92 -13.05 C:55 17.75 -9.83 O 17.75 -12.41 O 17.75 -15.01 O 16.07 -10.62 O 16.07 -5.90 C:170 18.86 -15.64 C:136 15.56 -13.71 C:127 16.66 -7.87 C:34 18.92 -11.76 C:78 17.75 -13.71 C:46 17.75 -11.11 C:102 16.66 -9.16 C:85 16.66 -11.76 C:41 16.66 -13.05 1 19 1 2 20 1 22 3 -1 24 4 -1 5 19 2 6 10 1 6 20 2 7 8 2 7 18 1 8 21 1 9 18 1 9 21 2 10 11 1 11 26 1 12 15 1 27 12 -2 13 22 1 13 23 1 14 24 1 14 25 1 25 15 -2 16 19 1 23 16 -2 17 25 1 26 17 -2 20 27 1 25 21 -2 22 24 1 23 27 1 24 26 1 26 27 1', 'C22H28O5', 372.232, 'C', 'bbb07_2751_2', 3702, '', '', '1', 47, NULL, NULL),
(14514, 'Parvitexins C', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[CH3:18][C:4]3=[CH:3][CH2:2][CH2:1][C@@:10]24O[C@@:12]5([c:13]1[cH:14][cH:15]o[cH:16]1)[CH2:11][C@:9]2([CH3:20])[C@@H:8]([CH3:17])[CH2:7][C@H:6](O)[C@@:5]34[CH2:19]O5', 'CC3=CCC[C@@]24O[C@@]5(c1ccoc1)C[C@]2(C)[C@@H](C)C[C@H](O)[C@@]34CO5', '[CH3:22][C:138]3=[CH:124][CH2:23][CH2:26][C@@:86]24O[C@@:101]5([c:128]1[cH:108][cH:143]o[cH:139]1)[CH2:55][C@:46]2([CH3:22])[C@@H:33]([CH3:19])[CH2:38][C@H:76](O)[C@@:43]34[CH2:63]O5', '24 28 C:18 15.57 -15.97 C:17 20.03 -12.09 C:20 18.73 -11.25 O 17.75 -15.97 C:3 14.45 -14.02 C:15 17.29 -6.92 C:14 17.68 -8.13 C:16 15.64 -8.13 C:2 14.45 -12.74 C:1 15.57 -12.09 C:19 16.66 -15.30 C:7 18.91 -14.02 C:11 17.75 -10.82 O 17.75 -13.38 O 16.08 -11.60 O 16.08 -6.92 C:4 15.57 -14.67 C:13 16.66 -8.87 C:8 18.91 -12.74 C:6 17.75 -14.67 C:9 17.75 -12.09 C:12 16.66 -10.15 C:10 16.66 -12.74 C:5 16.66 -14.02 1 17 1 19 2 -1 21 3 -1 20 4 -2 5 9 1 5 17 2 6 7 2 6 16 1 7 18 1 8 16 1 8 18 2 9 10 1 10 23 1 11 14 1 24 11 -2 12 19 1 12 20 1 13 21 1 13 22 1 22 14 -2 15 22 1 23 15 -2 17 24 1 22 18 -2 19 21 1 20 24 1 21 23 1 23 24 1', '24 28 C 15.57 -15.97 C 20.03 -12.09 C 18.73 -11.25 O 17.75 -15.97 C 14.45 -14.02 C 17.29 -6.92 C 17.68 -8.13 C 15.64 -8.13 C 14.45 -12.74 C 15.57 -12.09 C 16.66 -15.30 C 18.91 -14.02 C 17.75 -10.82 O 17.75 -13.38 O 16.08 -11.60 O 16.08 -6.92 C 15.57 -14.67 C 16.66 -8.87 C 18.91 -12.74 C 17.75 -14.67 C 17.75 -12.09 C 16.66 -10.15 C 16.66 -12.74 C 16.66 -14.02 1 17 1 19 2 -1 21 3 -1 20 4 -2 5 9 1 5 17 2 6 7 2 6 16 1 7 18 1 8 16 1 8 18 2 9 10 1 10 23 1 11 14 1 24 11 -2 12 19 1 12 20 1 13 21 1 13 22 1 22 14 -2 15 22 1 23 15 -2 17 24 1 22 18 -2 19 21 1 20 24 1 21 23 1 23 24 1', '24 28 C:22 15.57 -15.97 C:19 20.03 -12.09 C:22 18.73 -11.25 O 17.75 -15.97 C:124 14.45 -14.02 C:143 17.29 -6.92 C:108 17.68 -8.13 C:139 15.64 -8.13 C:23 14.45 -12.74 C:26 15.57 -12.09 C:63 16.66 -15.30 C:38 18.91 -14.02 C:55 17.75 -10.82 O 17.75 -13.38 O 16.08 -11.60 O 16.08 -6.92 C:138 15.57 -14.67 C:128 16.66 -8.87 C:33 18.91 -12.74 C:76 17.75 -14.67 C:46 17.75 -12.09 C:101 16.66 -10.15 C:86 16.66 -12.74 C:43 16.66 -14.02 1 17 1 19 2 -1 21 3 -1 20 4 -2 5 9 1 5 17 2 6 7 2 6 16 1 7 18 1 8 16 1 8 18 2 9 10 1 10 23 1 11 14 1 24 11 -2 12 19 1 12 20 1 13 21 1 13 22 1 22 14 -2 15 22 1 23 15 -2 17 24 1 22 18 -2 19 21 1 20 24 1 21 23 1 23 24 1', 'C20H26O4', 330.212, 'C', 'bbb07_2751_3', 3702, '', '', '1', 47, NULL, NULL),
(14515, 'Parvitexins D', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][CH2:2][C@H:3]1O[C@@:4]1([CH3:18])[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][C:12](=O)[c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@@]23CC[C@H]1O[C@@]1(C)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@H](C)[C@@]3(C)CC(=O)c4ccoc4', '[H][C@@:37]23[CH2:17][CH2:22][C@H:61]1O[C@@:59]1([CH3:23])[C@:43]2([CH2:63]O[C:171]([CH3:21])=O)[C@@H:73](O[C:171]([CH3:21])=O)[CH2:33][C@H:36]([CH3:16])[C@@:41]3([CH3:18])[CH2:47][C:194](=O)[c:129]4[cH:109][cH:144]o[cH:147]4', '32 35 H 16.61 -10.45 C:19002 15.40 -17.78 C:6002 19.02 -17.10 C:17 20.31 -10.75 C:20 18.91 -9.82 C:18 15.40 -15.00 O 14.18 -15.72 O 20.24 -15.00 O 15.40 -9.29 C:15 17.31 -5.06 C:14 17.80 -6.39 C:16 15.49 -6.39 C:2 14.18 -11.48 C:1 15.40 -10.75 C:19 16.61 -14.27 C:11 17.80 -9.29 C:7 19.10 -12.87 O 16.61 -15.72 O 17.80 -15.00 O 14.18 -14.27 O 15.92 -5.06 C:19001 15.40 -16.40 C:6001 19.02 -15.72 C:12 16.61 -8.61 C:13 16.61 -7.21 C:8 19.10 -11.48 C:3 14.18 -12.87 C:6 17.80 -13.58 C:10 16.61 -11.48 C:9 17.80 -10.75 C:4 15.40 -13.58 C:5 16.61 -12.87 29 1 -2 2 22 1 3 23 1 26 4 -1 30 5 -1 31 6 -1 7 22 2 8 23 2 9 24 2 10 11 2 10 21 1 11 25 1 12 21 1 12 25 2 13 14 1 13 27 1 14 29 1 15 18 1 32 15 -2 16 24 1 16 30 1 17 26 1 17 28 1 18 22 1 19 23 1 28 19 -2 27 20 -2 20 31 1 24 25 1 26 30 1 27 31 1 28 32 1 29 30 1 29 32 1 31 32 1', '32 35 H 16.61 -10.45 C 15.40 -17.78 C 19.02 -17.10 C 20.31 -10.75 C 18.91 -9.82 C 15.40 -15.00 O 14.18 -15.72 O 20.24 -15.00 O 15.40 -9.29 C 17.31 -5.06 C 17.80 -6.39 C 15.49 -6.39 C 14.18 -11.48 C 15.40 -10.75 C 16.61 -14.27 C 17.80 -9.29 C 19.10 -12.87 O 16.61 -15.72 O 17.80 -15.00 O 14.18 -14.27 O 15.92 -5.06 C 15.40 -16.40 C 19.02 -15.72 C 16.61 -8.61 C 16.61 -7.21 C 19.10 -11.48 C 14.18 -12.87 C 17.80 -13.58 C 16.61 -11.48 C 17.80 -10.75 C 15.40 -13.58 C 16.61 -12.87 29 1 -2 2 22 1 3 23 1 26 4 -1 30 5 -1 31 6 -1 7 22 2 8 23 2 9 24 2 10 11 2 10 21 1 11 25 1 12 21 1 12 25 2 13 14 1 13 27 1 14 29 1 15 18 1 32 15 -2 16 24 1 16 30 1 17 26 1 17 28 1 18 22 1 19 23 1 28 19 -2 27 20 -2 20 31 1 24 25 1 26 30 1 27 31 1 28 32 1 29 30 1 29 32 1 31 32 1', '32 35 H 16.61 -10.45 C:21 15.40 -17.78 C:21 19.02 -17.10 C:16 20.31 -10.75 C:18 18.91 -9.82 C:23 15.40 -15.00 O 14.18 -15.72 O 20.24 -15.00 O 15.40 -9.29 C:144 17.31 -5.06 C:109 17.80 -6.39 C:147 15.49 -6.39 C:22 14.18 -11.48 C:17 15.40 -10.75 C:63 16.61 -14.27 C:47 17.80 -9.29 C:33 19.10 -12.87 O 16.61 -15.72 O 17.80 -15.00 O 14.18 -14.27 O 15.92 -5.06 C:171 15.40 -16.40 C:171 19.02 -15.72 C:194 16.61 -8.61 C:129 16.61 -7.21 C:36 19.10 -11.48 C:61 14.18 -12.87 C:73 17.80 -13.58 C:37 16.61 -11.48 C:41 17.80 -10.75 C:59 15.40 -13.58 C:43 16.61 -12.87 29 1 -2 2 22 1 3 23 1 26 4 -1 30 5 -1 31 6 -1 7 22 2 8 23 2 9 24 2 10 11 2 10 21 1 11 25 1 12 21 1 12 25 2 13 14 1 13 27 1 14 29 1 15 18 1 32 15 -2 16 24 1 16 30 1 17 26 1 17 28 1 18 22 1 19 23 1 28 19 -2 27 20 -2 20 31 1 24 25 1 26 30 1 27 31 1 28 32 1 29 30 1 29 32 1 31 32 1', 'C24H32O7', 432.261, 'C', 'bbb07_2751_4', 3702, '', '', '1', 47, NULL, NULL),
(14516, 'Parvitexins E', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][CH2:2][C@H:3]1O[C@@:4]1([CH3:18])[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@H:6](O)[CH2:7][C@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][C:12](=O)[c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@@]23CC[C@H]1O[C@@]1(C)[C@]2(COC(C)=O)[C@@H](O)C[C@H](C)[C@@]3(C)CC(=O)c4ccoc4', '[H][C@@:37]23[CH2:17][CH2:22][C@H:61]1O[C@@:60]1([CH3:23])[C@:44]2([CH2:66]O[C:172]([CH3:21])=O)[C@@H:73](O)[CH2:36][C@H:36]([CH3:16])[C@@:41]3([CH3:18])[CH2:46][C:194](=O)[c:129]4[cH:109][cH:144]o[cH:147]4', '29 32 H 16.62 -10.46 C:19002 15.41 -17.79 C:17 20.32 -10.76 C:20 18.92 -9.82 C:18 15.41 -15.01 O 14.19 -15.73 O 15.41 -9.29 O 17.81 -15.01 C:15 17.32 -5.06 C:14 17.81 -6.39 C:16 15.50 -6.39 C:2 14.19 -11.49 C:1 15.41 -10.76 C:19 16.62 -14.28 C:11 17.81 -9.29 C:7 19.11 -12.88 O 16.62 -15.73 O 14.19 -14.28 O 15.93 -5.06 C:19001 15.41 -16.41 C:12 16.62 -8.61 C:13 16.62 -7.21 C:8 19.11 -11.49 C:6 17.81 -13.59 C:3 14.19 -12.88 C:10 16.62 -11.49 C:9 17.81 -10.76 C:4 15.41 -13.59 C:5 16.62 -12.88 26 1 -2 2 20 1 23 3 -1 27 4 -1 28 5 -1 6 20 2 7 21 2 24 8 -2 9 10 2 9 19 1 10 22 1 11 19 1 11 22 2 12 13 1 12 25 1 13 26 1 14 17 1 29 14 -2 15 21 1 15 27 1 16 23 1 16 24 1 17 20 1 25 18 -2 18 28 1 21 22 1 23 27 1 24 29 1 25 28 1 26 27 1 26 29 1 28 29 1', '29 32 H 16.62 -10.46 C 15.41 -17.79 C 20.32 -10.76 C 18.92 -9.82 C 15.41 -15.01 O 14.19 -15.73 O 15.41 -9.29 O 17.81 -15.01 C 17.32 -5.06 C 17.81 -6.39 C 15.50 -6.39 C 14.19 -11.49 C 15.41 -10.76 C 16.62 -14.28 C 17.81 -9.29 C 19.11 -12.88 O 16.62 -15.73 O 14.19 -14.28 O 15.93 -5.06 C 15.41 -16.41 C 16.62 -8.61 C 16.62 -7.21 C 19.11 -11.49 C 17.81 -13.59 C 14.19 -12.88 C 16.62 -11.49 C 17.81 -10.76 C 15.41 -13.59 C 16.62 -12.88 26 1 -2 2 20 1 23 3 -1 27 4 -1 28 5 -1 6 20 2 7 21 2 24 8 -2 9 10 2 9 19 1 10 22 1 11 19 1 11 22 2 12 13 1 12 25 1 13 26 1 14 17 1 29 14 -2 15 21 1 15 27 1 16 23 1 16 24 1 17 20 1 25 18 -2 18 28 1 21 22 1 23 27 1 24 29 1 25 28 1 26 27 1 26 29 1 28 29 1', '29 32 H 16.62 -10.46 C:21 15.41 -17.79 C:16 20.32 -10.76 C:18 18.92 -9.82 C:23 15.41 -15.01 O 14.19 -15.73 O 15.41 -9.29 O 17.81 -15.01 C:144 17.32 -5.06 C:109 17.81 -6.39 C:147 15.50 -6.39 C:22 14.19 -11.49 C:17 15.41 -10.76 C:66 16.62 -14.28 C:46 17.81 -9.29 C:36 19.11 -12.88 O 16.62 -15.73 O 14.19 -14.28 O 15.93 -5.06 C:172 15.41 -16.41 C:194 16.62 -8.61 C:129 16.62 -7.21 C:36 19.11 -11.49 C:73 17.81 -13.59 C:61 14.19 -12.88 C:37 16.62 -11.49 C:41 17.81 -10.76 C:60 15.41 -13.59 C:44 16.62 -12.88 26 1 -2 2 20 1 23 3 -1 27 4 -1 28 5 -1 6 20 2 7 21 2 24 8 -2 9 10 2 9 19 1 10 22 1 11 19 1 11 22 2 12 13 1 12 25 1 13 26 1 14 17 1 29 14 -2 15 21 1 15 27 1 16 23 1 16 24 1 17 20 1 25 18 -2 18 28 1 21 22 1 23 27 1 24 29 1 25 28 1 26 27 1 26 29 1 28 29 1', 'C22H30O6', 390.24, 'C', 'bbb07_2751_5', 3702, '', '', '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
(14517, '3-Chloro-4-hydroxy-parvitexin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[CH3:6002][C:6001](=O)O[C@H:6]2[CH2:7][C@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][C@@:12]5([c:13]1[cH:14][cH:15]o[cH:16]1)O[CH2:19][C@@:5]24[C@:4]([CH3:18])(O)[C@H:3](Cl)[CH2:2][CH2:1][C@@:10]34O5', 'CC(=O)O[C@H]2C[C@H](C)[C@@]3(C)C[C@@]5(c1ccoc1)OC[C@@]24[C@](C)(O)[C@H](Cl)CC[C@@]34O5', '[CH3:21][C:170](=O)O[C@H:71]2[CH2:34][C@H:33]([CH3:18])[C@@:46]3([CH3:21])[CH2:55][C@@:102]5([c:126]1[cH:108][cH:143]o[cH:140]1)O[CH2:64][C@@:42]24[C@:77]([CH3:23])(O)[C@H:65](Cl)[CH2:27][CH2:25][C@@:88]34O5', '29 33 C:6002 19.50 -16.94 C:17 20.69 -11.15 C:18 16.93 -14.92 C:20 19.38 -10.30 O 20.69 -14.92 O 15.54 -14.97 Cl 13.86 -13.78 C:15 17.94 -5.95 C:14 18.34 -7.15 C:16 16.27 -7.15 C:2 15.07 -11.78 C:1 16.20 -11.15 C:19 17.30 -14.37 C:7 19.56 -13.07 C:11 18.40 -9.86 O 18.40 -12.43 O 18.40 -15.04 O 16.71 -10.66 O 16.71 -5.95 C:6001 19.50 -15.67 C:13 17.30 -7.90 C:8 19.56 -11.78 C:3 15.07 -13.07 C:6 18.40 -13.78 C:4 16.20 -13.78 C:9 18.40 -11.15 C:12 17.30 -9.20 C:10 17.30 -11.78 C:5 17.30 -13.07 1 20 1 22 2 -1 25 3 -1 26 4 -1 5 20 2 25 6 -2 23 7 -2 8 9 2 8 19 1 9 21 1 10 19 1 10 21 2 11 12 1 11 23 1 12 28 1 13 16 1 29 13 -2 14 22 1 14 24 1 15 26 1 15 27 1 27 16 -2 17 20 1 24 17 -2 18 27 1 28 18 -2 27 21 -2 22 26 1 23 25 1 24 29 1 25 29 1 26 28 1 28 29 1', '29 33 C 19.50 -16.94 C 20.69 -11.15 C 16.93 -14.92 C 19.38 -10.30 O 20.69 -14.92 O 15.54 -14.97 Cl 13.86 -13.78 C 17.94 -5.95 C 18.34 -7.15 C 16.27 -7.15 C 15.07 -11.78 C 16.20 -11.15 C 17.30 -14.37 C 19.56 -13.07 C 18.40 -9.86 O 18.40 -12.43 O 18.40 -15.04 O 16.71 -10.66 O 16.71 -5.95 C 19.50 -15.67 C 17.30 -7.90 C 19.56 -11.78 C 15.07 -13.07 C 18.40 -13.78 C 16.20 -13.78 C 18.40 -11.15 C 17.30 -9.20 C 17.30 -11.78 C 17.30 -13.07 1 20 1 22 2 -1 25 3 -1 26 4 -1 5 20 2 25 6 -2 23 7 -2 8 9 2 8 19 1 9 21 1 10 19 1 10 21 2 11 12 1 11 23 1 12 28 1 13 16 1 29 13 -2 14 22 1 14 24 1 15 26 1 15 27 1 27 16 -2 17 20 1 24 17 -2 18 27 1 28 18 -2 27 21 -2 22 26 1 23 25 1 24 29 1 25 29 1 26 28 1 28 29 1', '29 33 C:21 19.50 -16.94 C:18 20.69 -11.15 C:23 16.93 -14.92 C:21 19.38 -10.30 O 20.69 -14.92 O 15.54 -14.97 Cl 13.86 -13.78 C:143 17.94 -5.95 C:108 18.34 -7.15 C:140 16.27 -7.15 C:27 15.07 -11.78 C:25 16.20 -11.15 C:64 17.30 -14.37 C:34 19.56 -13.07 C:55 18.40 -9.86 O 18.40 -12.43 O 18.40 -15.04 O 16.71 -10.66 O 16.71 -5.95 C:170 19.50 -15.67 C:126 17.30 -7.90 C:33 19.56 -11.78 C:65 15.07 -13.07 C:71 18.40 -13.78 C:77 16.20 -13.78 C:46 18.40 -11.15 C:102 17.30 -9.20 C:88 17.30 -11.78 C:42 17.30 -13.07 1 20 1 22 2 -1 25 3 -1 26 4 -1 5 20 2 25 6 -2 23 7 -2 8 9 2 8 19 1 9 21 1 10 19 1 10 21 2 11 12 1 11 23 1 12 28 1 13 16 1 29 13 -2 14 22 1 14 24 1 15 26 1 15 27 1 27 16 -2 17 20 1 24 17 -2 18 27 1 28 18 -2 27 21 -2 22 26 1 23 25 1 24 29 1 25 29 1 26 28 1 28 29 1', 'C22H29ClO6', 424.685, 'C', 'bbb07_2751_6', 3702, '', '', '1', 47, NULL, NULL),
(14518, 'Caseamembrin S', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][C@H:2](O[C:2001](=O)[CH2:2002][CH3:2003])[CH:3]=[C:4]1[C@H:18](O[C:18001]([CH3:18002])=O)O[C@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@H:6](O)[CH2:7][C@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@]23C[C@H](OC(=O)CC)C=C1[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]12[C@H](O)C[C@H](C)[C@]3(C)CCC(=C)C=C', '[H][C@:37]23[CH2:27][C@H:66](O[C:174](=O)[CH2:28][CH3:9])[CH:122]=[C:145]1[C@H:96](O[C:170]([CH3:22])=O)O[C@H:98](O[C:170]([CH3:21])=O)[C@:54]12[C@H:73](O)[CH2:37][C@H:37]([CH3:16])[C@:36]3([CH3:25])[CH2:28][CH2:24][C:145](=[CH2:116])[CH:140]=[CH2:112]', '36 38 H 17.83 -10.73 C:15 19.04 -5.36 C:16 16.60 -6.82 C:2003 12.94 -7.61 C:18002 12.94 -16.03 C:19002 20.88 -17.53 C:17 21.54 -11.03 C:20 20.15 -10.10 O 14.14 -13.94 O 18.47 -17.53 O 15.35 -9.00 O 20.42 -14.46 C:14 19.04 -6.74 C:3 15.35 -13.22 C:2002 12.94 -9.00 C:12 17.90 -8.87 C:11 19.04 -9.59 C:7 20.35 -13.22 C:1 16.60 -11.03 O 14.14 -11.07 O 15.35 -16.03 O 19.66 -15.46 O 17.98 -15.46 C:13 17.90 -7.47 C:18001 14.14 -15.32 C:19001 19.66 -16.83 C:2001 14.14 -9.68 C:4 16.60 -13.94 C:8 20.35 -11.76 C:2 15.35 -11.76 C:6 19.10 -13.94 C:18 16.60 -15.32 C:19 18.67 -14.46 C:10 17.83 -11.76 C:9 19.04 -11.03 C:5 17.83 -13.22 34 1 -1 2 13 2 3 24 2 4 15 1 5 25 1 6 26 1 29 7 -1 35 8 -2 9 25 2 10 26 2 11 27 2 31 12 -1 13 24 1 14 28 2 14 30 1 15 27 1 16 17 1 16 24 1 17 35 1 18 29 1 18 31 1 19 30 1 19 34 1 20 27 1 30 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -1 23 32 1 23 33 1 28 32 1 28 36 1 29 35 1 31 36 1 36 33 -2 34 35 1 34 36 1', '36 38 H 17.83 -10.73 C 19.04 -5.36 C 16.60 -6.82 C 12.94 -7.61 C 12.94 -16.03 C 20.88 -17.53 C 21.54 -11.03 C 20.15 -10.10 O 14.14 -13.94 O 18.47 -17.53 O 15.35 -9.00 O 20.42 -14.46 C 19.04 -6.74 C 15.35 -13.22 C 12.94 -9.00 C 17.90 -8.87 C 19.04 -9.59 C 20.35 -13.22 C 16.60 -11.03 O 14.14 -11.07 O 15.35 -16.03 O 19.66 -15.46 O 17.98 -15.46 C 17.90 -7.47 C 14.14 -15.32 C 19.66 -16.83 C 14.14 -9.68 C 16.60 -13.94 C 20.35 -11.76 C 15.35 -11.76 C 19.10 -13.94 C 16.60 -15.32 C 18.67 -14.46 C 17.83 -11.76 C 19.04 -11.03 C 17.83 -13.22 34 1 -1 2 13 2 3 24 2 4 15 1 5 25 1 6 26 1 29 7 -1 35 8 -2 9 25 2 10 26 2 11 27 2 31 12 -1 13 24 1 14 28 2 14 30 1 15 27 1 16 17 1 16 24 1 17 35 1 18 29 1 18 31 1 19 30 1 19 34 1 20 27 1 30 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -1 23 32 1 23 33 1 28 32 1 28 36 1 29 35 1 31 36 1 36 33 -2 34 35 1 34 36 1', '36 38 H 17.83 -10.73 C:112 19.04 -5.36 C:116 16.60 -6.82 C:9 12.94 -7.61 C:22 12.94 -16.03 C:21 20.88 -17.53 C:16 21.54 -11.03 C:25 20.15 -10.10 O 14.14 -13.94 O 18.47 -17.53 O 15.35 -9.00 O 20.42 -14.46 C:140 19.04 -6.74 C:122 15.35 -13.22 C:28 12.94 -9.00 C:24 17.90 -8.87 C:28 19.04 -9.59 C:37 20.35 -13.22 C:27 16.60 -11.03 O 14.14 -11.07 O 15.35 -16.03 O 19.66 -15.46 O 17.98 -15.46 C:145 17.90 -7.47 C:170 14.14 -15.32 C:170 19.66 -16.83 C:174 14.14 -9.68 C:145 16.60 -13.94 C:37 20.35 -11.76 C:66 15.35 -11.76 C:73 19.10 -13.94 C:96 16.60 -15.32 C:98 18.67 -14.46 C:37 17.83 -11.76 C:36 19.04 -11.03 C:54 17.83 -13.22 34 1 -1 2 13 2 3 24 2 4 15 1 5 25 1 6 26 1 29 7 -1 35 8 -2 9 25 2 10 26 2 11 27 2 31 12 -1 13 24 1 14 28 2 14 30 1 15 27 1 16 17 1 16 24 1 17 35 1 18 29 1 18 31 1 19 30 1 19 34 1 20 27 1 30 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -1 23 32 1 23 33 1 28 32 1 28 36 1 29 35 1 31 36 1 36 33 -2 34 35 1 34 36 1', 'C27H38O8', 490.292, 'C', 'cb08_162_1', 3703, '', '', '1', 47, NULL, NULL),
(14519, 'Caseamembrin T', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@H:18](O[C:18001]([CH3:18002])=O)O[C@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@H:6](O)[CH2:7][C@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@]23C[C@H](OC(=O)CCC)C=C1[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]12[C@H](O)C[C@H](C)[C@]3(C)CCC(=C)C=C', '[H][C@:37]23[CH2:27][C@H:66](O[C:173](=O)[CH2:37][CH2:19][CH3:14])[CH:122]=[C:145]1[C@H:96](O[C:170]([CH3:21])=O)O[C@H:98](O[C:170]([CH3:21])=O)[C@:54]12[C@H:73](O)[CH2:37][C@H:37]([CH3:16])[C@:37]3([CH3:25])[CH2:28][CH2:24][C:145](=[CH2:115])[CH:140]=[CH2:112]', '37 39 H 18.44 -10.73 C:15 19.65 -5.36 C:16 17.21 -6.82 C:2004 12.34 -6.91 C:18002 13.55 -16.03 C:19002 21.49 -17.53 C:17 22.15 -11.03 C:20 20.76 -10.10 O 14.75 -13.94 O 19.08 -17.53 O 15.96 -9.00 O 21.03 -14.46 C:14 19.65 -6.74 C:3 15.96 -13.22 C:2003 13.55 -7.61 C:2002 13.55 -9.00 C:12 18.51 -8.87 C:11 19.65 -9.59 C:7 20.96 -13.22 C:1 17.21 -11.03 O 14.75 -11.07 O 15.96 -16.03 O 20.27 -15.46 O 18.59 -15.46 C:13 18.51 -7.47 C:18001 14.75 -15.32 C:19001 20.27 -16.83 C:2001 14.75 -9.68 C:4 17.21 -13.94 C:8 20.96 -11.76 C:2 15.96 -11.76 C:6 19.71 -13.94 C:18 17.21 -15.32 C:19 19.28 -14.46 C:10 18.44 -11.76 C:9 19.65 -11.03 C:5 18.44 -13.22 35 1 -1 2 13 2 3 25 2 4 15 1 5 26 1 6 27 1 30 7 -1 36 8 -2 9 26 2 10 27 2 11 28 2 32 12 -1 13 25 1 14 29 2 14 31 1 15 16 1 16 28 1 17 18 1 17 25 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -1 22 26 1 33 22 -1 23 27 1 34 23 -1 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 18.44 -10.73 C 19.65 -5.36 C 17.21 -6.82 C 12.34 -6.91 C 13.55 -16.03 C 21.49 -17.53 C 22.15 -11.03 C 20.76 -10.10 O 14.75 -13.94 O 19.08 -17.53 O 15.96 -9.00 O 21.03 -14.46 C 19.65 -6.74 C 15.96 -13.22 C 13.55 -7.61 C 13.55 -9.00 C 18.51 -8.87 C 19.65 -9.59 C 20.96 -13.22 C 17.21 -11.03 O 14.75 -11.07 O 15.96 -16.03 O 20.27 -15.46 O 18.59 -15.46 C 18.51 -7.47 C 14.75 -15.32 C 20.27 -16.83 C 14.75 -9.68 C 17.21 -13.94 C 20.96 -11.76 C 15.96 -11.76 C 19.71 -13.94 C 17.21 -15.32 C 19.28 -14.46 C 18.44 -11.76 C 19.65 -11.03 C 18.44 -13.22 35 1 -1 2 13 2 3 25 2 4 15 1 5 26 1 6 27 1 30 7 -1 36 8 -2 9 26 2 10 27 2 11 28 2 32 12 -1 13 25 1 14 29 2 14 31 1 15 16 1 16 28 1 17 18 1 17 25 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -1 22 26 1 33 22 -1 23 27 1 34 23 -1 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 18.44 -10.73 C:112 19.65 -5.36 C:115 17.21 -6.82 C:14 12.34 -6.91 C:21 13.55 -16.03 C:21 21.49 -17.53 C:16 22.15 -11.03 C:25 20.76 -10.10 O 14.75 -13.94 O 19.08 -17.53 O 15.96 -9.00 O 21.03 -14.46 C:140 19.65 -6.74 C:122 15.96 -13.22 C:19 13.55 -7.61 C:37 13.55 -9.00 C:24 18.51 -8.87 C:28 19.65 -9.59 C:37 20.96 -13.22 C:27 17.21 -11.03 O 14.75 -11.07 O 15.96 -16.03 O 20.27 -15.46 O 18.59 -15.46 C:145 18.51 -7.47 C:170 14.75 -15.32 C:170 20.27 -16.83 C:173 14.75 -9.68 C:145 17.21 -13.94 C:37 20.96 -11.76 C:66 15.96 -11.76 C:73 19.71 -13.94 C:96 17.21 -15.32 C:98 19.28 -14.46 C:37 18.44 -11.76 C:37 19.65 -11.03 C:54 18.44 -13.22 35 1 -1 2 13 2 3 25 2 4 15 1 5 26 1 6 27 1 30 7 -1 36 8 -2 9 26 2 10 27 2 11 28 2 32 12 -1 13 25 1 14 29 2 14 31 1 15 16 1 16 28 1 17 18 1 17 25 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -1 22 26 1 33 22 -1 23 27 1 34 23 -1 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', 'C28H40O8', 504.303, 'C', 'cb08_162_2', 3703, '', '', '1', 47, NULL, NULL),
(14520, 'Caseamembrin U', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@H:18](O[CH3:18001])O[C@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@H:6](O)[CH2:7][C@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@]23C[C@H](OC(=O)CCC)C=C1[C@H](OC)O[C@H](OC(C)=O)[C@]12[C@H](O)C[C@H](C)[C@]3(C)CCC(=C)C=C', '[H][C@:38]23[CH2:27][C@H:66](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[CH:122]=[C:146]1[C@H:105](O[CH3:56])O[C@H:95](O[C:169]([CH3:22])=O)[C@:54]12[C@H:73](O)[CH2:37][C@H:37]([CH3:16])[C@:38]3([CH3:25])[CH2:30][CH2:24][C:145](=[CH2:115])[CH:140]=[CH2:112]', '35 37 H 18.43 -10.72 C:15 19.64 -5.36 C:16 17.20 -6.82 C:2004 12.33 -6.91 C:18001 14.74 -15.31 C:19002 21.48 -17.52 C:17 22.13 -11.02 C:20 20.75 -10.09 O 19.07 -17.52 O 15.95 -8.99 O 21.02 -14.45 C:14 19.64 -6.74 C:3 15.95 -13.21 C:2003 13.54 -7.61 C:2002 13.54 -8.99 C:12 18.50 -8.86 C:11 19.64 -9.58 C:7 20.95 -13.21 C:1 17.20 -11.02 O 15.95 -16.02 O 14.74 -11.06 O 20.26 -15.45 O 18.58 -15.45 C:13 18.50 -7.47 C:19001 20.26 -16.82 C:2001 14.74 -9.67 C:4 17.20 -13.93 C:8 20.95 -11.75 C:2 15.95 -11.75 C:6 19.70 -13.93 C:18 17.20 -15.31 C:19 19.27 -14.45 C:10 18.43 -11.75 C:9 19.64 -11.02 C:5 18.43 -13.21 33 1 -1 2 12 2 3 24 2 4 14 1 5 20 1 6 25 1 28 7 -1 34 8 -2 9 25 2 10 26 2 30 11 -1 12 24 1 13 27 2 13 29 1 14 15 1 15 26 1 16 17 1 16 24 1 17 34 1 18 28 1 18 30 1 19 29 1 19 33 1 31 20 -1 21 26 1 29 21 -1 22 25 1 32 22 -1 23 31 1 23 32 1 27 31 1 27 35 1 28 34 1 30 35 1 35 32 -2 33 34 1 33 35 1', '35 37 H 18.43 -10.72 C 19.64 -5.36 C 17.20 -6.82 C 12.33 -6.91 C 14.74 -15.31 C 21.48 -17.52 C 22.13 -11.02 C 20.75 -10.09 O 19.07 -17.52 O 15.95 -8.99 O 21.02 -14.45 C 19.64 -6.74 C 15.95 -13.21 C 13.54 -7.61 C 13.54 -8.99 C 18.50 -8.86 C 19.64 -9.58 C 20.95 -13.21 C 17.20 -11.02 O 15.95 -16.02 O 14.74 -11.06 O 20.26 -15.45 O 18.58 -15.45 C 18.50 -7.47 C 20.26 -16.82 C 14.74 -9.67 C 17.20 -13.93 C 20.95 -11.75 C 15.95 -11.75 C 19.70 -13.93 C 17.20 -15.31 C 19.27 -14.45 C 18.43 -11.75 C 19.64 -11.02 C 18.43 -13.21 33 1 -1 2 12 2 3 24 2 4 14 1 5 20 1 6 25 1 28 7 -1 34 8 -2 9 25 2 10 26 2 30 11 -1 12 24 1 13 27 2 13 29 1 14 15 1 15 26 1 16 17 1 16 24 1 17 34 1 18 28 1 18 30 1 19 29 1 19 33 1 31 20 -1 21 26 1 29 21 -1 22 25 1 32 22 -1 23 31 1 23 32 1 27 31 1 27 35 1 28 34 1 30 35 1 35 32 -2 33 34 1 33 35 1', '35 37 H 18.43 -10.72 C:112 19.64 -5.36 C:115 17.20 -6.82 C:14 12.33 -6.91 C:56 14.74 -15.31 C:22 21.48 -17.52 C:16 22.13 -11.02 C:25 20.75 -10.09 O 19.07 -17.52 O 15.95 -8.99 O 21.02 -14.45 C:140 19.64 -6.74 C:122 15.95 -13.21 C:19 13.54 -7.61 C:36 13.54 -8.99 C:24 18.50 -8.86 C:30 19.64 -9.58 C:37 20.95 -13.21 C:27 17.20 -11.02 O 15.95 -16.02 O 14.74 -11.06 O 20.26 -15.45 O 18.58 -15.45 C:145 18.50 -7.47 C:169 20.26 -16.82 C:173 14.74 -9.67 C:146 17.20 -13.93 C:37 20.95 -11.75 C:66 15.95 -11.75 C:73 19.70 -13.93 C:105 17.20 -15.31 C:95 19.27 -14.45 C:38 18.43 -11.75 C:38 19.64 -11.02 C:54 18.43 -13.21 33 1 -1 2 12 2 3 24 2 4 14 1 5 20 1 6 25 1 28 7 -1 34 8 -2 9 25 2 10 26 2 30 11 -1 12 24 1 13 27 2 13 29 1 14 15 1 15 26 1 16 17 1 16 24 1 17 34 1 18 28 1 18 30 1 19 29 1 19 33 1 31 20 -1 21 26 1 29 21 -1 22 25 1 32 22 -1 23 31 1 23 32 1 27 31 1 27 35 1 28 34 1 30 35 1 35 32 -2 33 34 1 33 35 1', 'C27H40O7', 476.293, 'C', 'cb08_162_3', 3703, '', '', '1', 47, NULL, NULL),
(14521, 'Scutebarbatine G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]14[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O)[C@H:7](O)[C@:8]5([CH3:17])O[C@@:13]2([CH2:16]O[C:15](=O)[CH2:14]2)[CH2:12][C@H:11](O[C:11001](=O)[c:11002]3[cH:11007][cH:11006][cH:11005]n[cH:11003]3)[C@:9]45[CH3:20]', '[H][C@]14CCC=C(C)[C@]1(C)[C@@H](O)[C@H](O)[C@]5(C)O[C@@]2(COC(=O)C2)C[C@H](OC(=O)c3cccnc3)[C@]45C', '[H][C@:43]14[CH2:29][CH2:33][CH:119]=[C:146]([CH3:22])[C@:44]1([CH3:15])[C@@H:75](O)[C@H:76](O)[C@:82]5([CH3:21])O[C@@:76]2([CH2:80]O[C:175](=O)[CH2:42]2)[CH2:29][C@H:73](O[C:165](=O)[c:127]3[cH:138][cH:124][cH:154]n[cH:151]3)[C@:39]45[CH3:22]', '35 39 H 16.06 -12.19 C:18 14.85 -16.76 C:17 18.51 -11.83 C:19 16.06 -16.05 C:20 17.31 -13.90 O 21.98 -8.20 O 17.25 -8.20 O 19.71 -15.33 O 17.31 -16.76 C:3 13.64 -14.62 C:11006 13.71 -6.12 C:11005 12.48 -6.80 C:11007 14.90 -6.80 C:11003 13.64 -8.92 C:2 13.64 -13.21 C:1 14.85 -12.50 C:16 21.05 -11.74 C:14 19.99 -9.71 C:12 18.51 -10.35 N 12.48 -8.20 O 22.03 -10.71 O 16.06 -10.35 O 19.71 -12.50 C:4 14.85 -15.33 C:15 21.37 -9.46 C:11001 16.06 -8.92 C:11002 14.90 -8.20 C:7 18.51 -14.62 C:6 17.31 -15.33 C:11 17.31 -11.06 C:10 16.06 -13.21 C:8 18.51 -13.21 C:13 19.71 -11.06 C:5 16.06 -14.62 C:9 17.31 -12.50 31 1 -1 2 24 1 32 3 -2 34 4 -2 35 5 -2 6 25 2 7 26 2 28 8 -1 29 9 -2 10 15 1 10 24 2 11 12 2 11 13 1 12 20 1 13 27 2 14 20 2 14 27 1 15 16 1 16 31 1 17 21 1 33 17 -2 18 25 1 33 18 -1 19 30 1 19 33 1 21 25 1 22 26 1 30 22 -1 23 32 1 23 33 1 24 34 1 26 27 1 28 29 1 28 32 1 29 34 1 30 35 1 31 34 1 31 35 1 32 35 1', '35 39 H 16.06 -12.19 C 14.85 -16.76 C 18.51 -11.83 C 16.06 -16.05 C 17.31 -13.90 O 21.98 -8.20 O 17.25 -8.20 O 19.71 -15.33 O 17.31 -16.76 C 13.64 -14.62 C 13.71 -6.12 C 12.48 -6.80 C 14.90 -6.80 C 13.64 -8.92 C 13.64 -13.21 C 14.85 -12.50 C 21.05 -11.74 C 19.99 -9.71 C 18.51 -10.35 N 12.48 -8.20 O 22.03 -10.71 O 16.06 -10.35 O 19.71 -12.50 C 14.85 -15.33 C 21.37 -9.46 C 16.06 -8.92 C 14.90 -8.20 C 18.51 -14.62 C 17.31 -15.33 C 17.31 -11.06 C 16.06 -13.21 C 18.51 -13.21 C 19.71 -11.06 C 16.06 -14.62 C 17.31 -12.50 31 1 -1 2 24 1 32 3 -2 34 4 -2 35 5 -2 6 25 2 7 26 2 28 8 -1 29 9 -2 10 15 1 10 24 2 11 12 2 11 13 1 12 20 1 13 27 2 14 20 2 14 27 1 15 16 1 16 31 1 17 21 1 33 17 -2 18 25 1 33 18 -1 19 30 1 19 33 1 21 25 1 22 26 1 30 22 -1 23 32 1 23 33 1 24 34 1 26 27 1 28 29 1 28 32 1 29 34 1 30 35 1 31 34 1 31 35 1 32 35 1', '35 39 H 16.06 -12.19 C:22 14.85 -16.76 C:21 18.51 -11.83 C:15 16.06 -16.05 C:22 17.31 -13.90 O 21.98 -8.20 O 17.25 -8.20 O 19.71 -15.33 O 17.31 -16.76 C:119 13.64 -14.62 C:124 13.71 -6.12 C:154 12.48 -6.80 C:138 14.90 -6.80 C:151 13.64 -8.92 C:33 13.64 -13.21 C:29 14.85 -12.50 C:80 21.05 -11.74 C:42 19.99 -9.71 C:29 18.51 -10.35 N 12.48 -8.20 O 22.03 -10.71 O 16.06 -10.35 O 19.71 -12.50 C:146 14.85 -15.33 C:175 21.37 -9.46 C:165 16.06 -8.92 C:127 14.90 -8.20 C:76 18.51 -14.62 C:75 17.31 -15.33 C:73 17.31 -11.06 C:43 16.06 -13.21 C:82 18.51 -13.21 C:76 19.71 -11.06 C:44 16.06 -14.62 C:39 17.31 -12.50 31 1 -1 2 24 1 32 3 -2 34 4 -2 35 5 -2 6 25 2 7 26 2 28 8 -1 29 9 -2 10 15 1 10 24 2 11 12 2 11 13 1 12 20 1 13 27 2 14 20 2 14 27 1 15 16 1 16 31 1 17 21 1 33 17 -2 18 25 1 33 18 -1 19 30 1 19 33 1 21 25 1 22 26 1 30 22 -1 23 32 1 23 33 1 24 34 1 26 27 1 28 29 1 28 32 1 29 34 1 30 35 1 31 34 1 31 35 1 32 35 1', 'C26H33NO7', 471.289, 'C', 'cpb07_1218_1', 3704, '', '', '1', 47, NULL, NULL),
(14522, '6,7-di-O-Nicotinoylscutebarbatine G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]16[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C:6001](=O)[c:6002]2[cH:6007][cH:6006][cH:6005]n[cH:6003]2)[C@H:7](O[C:7001](=O)[c:7002]3[cH:7007][cH:7006][cH:7005]n[cH:7003]3)[C@:8]7([CH3:17])O[C@@:13]4([CH2:16]O[C:15](=O)[CH2:14]4)[CH2:12][C@H:11](O[C:11001](=O)[c:11002]5[cH:11007][cH:11006][cH:11005]n[cH:11003]5)[C@:9]67[CH3:20]', '[H][C@]16CCC=C(C)[C@]1(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@]7(C)O[C@@]4(COC(=O)C4)C[C@H](OC(=O)c5cccnc5)[C@]67C', '[H][C@:44]16[CH2:29][CH2:33][CH:121]=[C:143]([CH3:20])[C@:45]1([CH3:17])[C@@H:75](O[C:164](=O)[c:125]2[cH:137][cH:124][cH:154]n[cH:151]2)[C@H:75](O[C:165](=O)[c:126]3[cH:137][cH:124][cH:154]n[cH:151]3)[C@:81]7([CH3:21])O[C@@:77]4([CH2:77]O[C:174](=O)[CH2:45]4)[CH2:29][C@H:72](O[C:165](=O)[c:126]5[cH:137][cH:124][cH:154]n[cH:151]5)[C@:39]67[CH3:20]', '51 57 H 14.74 -9.71 C:18 13.52 -14.26 C:17 17.24 -9.35 C:19 14.74 -13.55 C:20 16.03 -11.40 O 20.70 -5.73 O 16.03 -5.73 O 19.62 -10.71 O 18.44 -14.32 C:3 12.31 -12.11 C:11006 12.31 -3.66 C:7006 22.18 -14.74 C:6006 16.03 -18.50 C:11005 11.15 -4.34 C:7005 23.35 -13.97 C:6005 17.24 -19.19 C:11007 13.52 -4.34 C:7007 20.93 -14.10 C:6007 16.03 -17.10 C:11003 12.31 -6.45 C:7003 22.03 -11.94 C:6003 18.44 -17.10 C:2 12.31 -10.71 C:1 13.52 -10.00 C:16 19.73 -9.26 C:14 18.67 -7.24 C:12 17.24 -7.87 N 11.15 -5.73 N 23.35 -12.57 N 18.44 -18.50 O 20.70 -8.23 O 14.74 -7.87 O 18.44 -12.83 O 16.03 -14.26 O 18.44 -10.00 C:4 13.52 -12.83 C:15 20.05 -7.00 C:11001 14.74 -6.45 C:7001 19.62 -12.11 C:6001 17.24 -14.98 C:11002 13.52 -5.73 C:7002 20.93 -12.70 C:6002 17.24 -16.39 C:11 16.03 -8.58 C:7 17.24 -12.11 C:6 16.03 -12.83 C:10 14.74 -10.71 C:13 18.44 -8.58 C:8 17.24 -10.71 C:5 14.74 -12.11 C:9 16.03 -10.00 47 1 -1 2 36 1 49 3 -2 50 4 -2 51 5 -2 6 37 2 7 38 2 8 39 2 9 40 2 10 23 1 10 36 2 11 14 2 11 17 1 12 15 2 12 18 1 13 16 2 13 19 1 14 28 1 15 29 1 16 30 1 17 41 2 18 42 2 19 43 2 20 28 2 20 41 1 21 29 2 21 42 1 22 30 2 22 43 1 23 24 1 24 47 1 25 31 1 48 25 -2 26 37 1 48 26 -1 27 44 1 27 48 1 31 37 1 32 38 1 44 32 -1 33 39 1 45 33 -1 34 40 1 46 34 -2 35 48 1 35 49 1 36 50 1 38 41 1 39 42 1 40 43 1 44 51 1 45 46 1 45 49 1 46 50 1 47 50 1 47 51 1 49 51 1', '51 57 H 14.74 -9.71 C 13.52 -14.26 C 17.24 -9.35 C 14.74 -13.55 C 16.03 -11.40 O 20.70 -5.73 O 16.03 -5.73 O 19.62 -10.71 O 18.44 -14.32 C 12.31 -12.11 C 12.31 -3.66 C 22.18 -14.74 C 16.03 -18.50 C 11.15 -4.34 C 23.35 -13.97 C 17.24 -19.19 C 13.52 -4.34 C 20.93 -14.10 C 16.03 -17.10 C 12.31 -6.45 C 22.03 -11.94 C 18.44 -17.10 C 12.31 -10.71 C 13.52 -10.00 C 19.73 -9.26 C 18.67 -7.24 C 17.24 -7.87 N 11.15 -5.73 N 23.35 -12.57 N 18.44 -18.50 O 20.70 -8.23 O 14.74 -7.87 O 18.44 -12.83 O 16.03 -14.26 O 18.44 -10.00 C 13.52 -12.83 C 20.05 -7.00 C 14.74 -6.45 C 19.62 -12.11 C 17.24 -14.98 C 13.52 -5.73 C 20.93 -12.70 C 17.24 -16.39 C 16.03 -8.58 C 17.24 -12.11 C 16.03 -12.83 C 14.74 -10.71 C 18.44 -8.58 C 17.24 -10.71 C 14.74 -12.11 C 16.03 -10.00 47 1 -1 2 36 1 49 3 -2 50 4 -2 51 5 -2 6 37 2 7 38 2 8 39 2 9 40 2 10 23 1 10 36 2 11 14 2 11 17 1 12 15 2 12 18 1 13 16 2 13 19 1 14 28 1 15 29 1 16 30 1 17 41 2 18 42 2 19 43 2 20 28 2 20 41 1 21 29 2 21 42 1 22 30 2 22 43 1 23 24 1 24 47 1 25 31 1 48 25 -2 26 37 1 48 26 -1 27 44 1 27 48 1 31 37 1 32 38 1 44 32 -1 33 39 1 45 33 -1 34 40 1 46 34 -2 35 48 1 35 49 1 36 50 1 38 41 1 39 42 1 40 43 1 44 51 1 45 46 1 45 49 1 46 50 1 47 50 1 47 51 1 49 51 1', '51 57 H 14.74 -9.71 C:20 13.52 -14.26 C:21 17.24 -9.35 C:17 14.74 -13.55 C:20 16.03 -11.40 O 20.70 -5.73 O 16.03 -5.73 O 19.62 -10.71 O 18.44 -14.32 C:121 12.31 -12.11 C:124 12.31 -3.66 C:124 22.18 -14.74 C:124 16.03 -18.50 C:154 11.15 -4.34 C:154 23.35 -13.97 C:154 17.24 -19.19 C:137 13.52 -4.34 C:137 20.93 -14.10 C:137 16.03 -17.10 C:151 12.31 -6.45 C:151 22.03 -11.94 C:151 18.44 -17.10 C:33 12.31 -10.71 C:29 13.52 -10.00 C:77 19.73 -9.26 C:45 18.67 -7.24 C:29 17.24 -7.87 N 11.15 -5.73 N 23.35 -12.57 N 18.44 -18.50 O 20.70 -8.23 O 14.74 -7.87 O 18.44 -12.83 O 16.03 -14.26 O 18.44 -10.00 C:143 13.52 -12.83 C:174 20.05 -7.00 C:165 14.74 -6.45 C:165 19.62 -12.11 C:164 17.24 -14.98 C:126 13.52 -5.73 C:126 20.93 -12.70 C:125 17.24 -16.39 C:72 16.03 -8.58 C:75 17.24 -12.11 C:75 16.03 -12.83 C:44 14.74 -10.71 C:77 18.44 -8.58 C:81 17.24 -10.71 C:45 14.74 -12.11 C:39 16.03 -10.00 47 1 -1 2 36 1 49 3 -2 50 4 -2 51 5 -2 6 37 2 7 38 2 8 39 2 9 40 2 10 23 1 10 36 2 11 14 2 11 17 1 12 15 2 12 18 1 13 16 2 13 19 1 14 28 1 15 29 1 16 30 1 17 41 2 18 42 2 19 43 2 20 28 2 20 41 1 21 29 2 21 42 1 22 30 2 22 43 1 23 24 1 24 47 1 25 31 1 48 25 -2 26 37 1 48 26 -1 27 44 1 27 48 1 31 37 1 32 38 1 44 32 -1 33 39 1 45 33 -1 34 40 1 46 34 -2 35 48 1 35 49 1 36 50 1 38 41 1 39 42 1 40 43 1 44 51 1 45 46 1 45 49 1 46 50 1 47 50 1 47 51 1 49 51 1', 'C38H39N3O9', 681.429, 'C', 'cpb07_1218_2', 3704, '', '', '1', 47, NULL, NULL),
(14523, '6-O-Nicotinoyl-7-O-acetylscutebarbatine G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]15[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C:6001](=O)[c:6002]2[cH:6007][cH:6006][cH:6005]n[cH:6003]2)[C@H:7](O[C:7001]([CH3:7002])=O)[C@:8]6([CH3:17])O[C@@:13]3([CH2:16]O[C:15](=O)[CH2:14]3)[CH2:12][C@H:11](O[C:11001](=O)[c:11002]4[cH:11007][cH:11006][cH:11005]n[cH:11003]4)[C@:9]56[CH3:20]', '[H][C@]15CCC=C(C)[C@]1(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(C)=O)[C@]6(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c4cccnc4)[C@]56C', '[H][C@:44]15[CH2:29][CH2:33][CH:120]=[C:143]([CH3:20])[C@:45]1([CH3:17])[C@@H:75](O[C:164](=O)[c:126]2[cH:137][cH:124][cH:154]n[cH:151]2)[C@H:74](O[C:171]([CH3:22])=O)[C@:81]6([CH3:21])O[C@@:77]3([CH2:77]O[C:174](=O)[CH2:45]3)[CH2:30][C@H:72](O[C:165](=O)[c:126]4[cH:137][cH:124][cH:154]n[cH:151]4)[C@:39]56[CH3:20]', '46 51 H 15.97 -9.71 C:7002 22.16 -12.70 C:18 14.75 -14.26 C:17 18.47 -9.35 C:19 15.97 -13.55 C:20 17.26 -11.40 O 20.85 -10.71 O 21.93 -5.73 O 17.26 -5.73 O 19.67 -14.32 C:3 13.54 -12.11 C:11006 13.54 -3.66 C:6006 17.26 -18.50 C:11005 12.38 -4.34 C:6005 18.47 -19.19 C:11007 14.75 -4.34 C:6007 17.26 -17.10 C:11003 13.54 -6.45 C:6003 19.67 -17.10 C:2 13.54 -10.71 C:1 14.75 -10.00 C:16 20.96 -9.26 C:14 19.90 -7.24 C:12 18.47 -7.87 N 12.38 -5.73 N 19.67 -18.50 O 21.93 -8.23 O 19.67 -12.83 O 15.97 -7.87 O 17.26 -14.26 O 19.67 -10.00 C:7001 20.85 -12.11 C:4 14.75 -12.83 C:15 21.28 -7.00 C:11001 15.97 -6.45 C:6001 18.47 -14.98 C:11002 14.75 -5.73 C:6002 18.47 -16.39 C:11 17.26 -8.58 C:7 18.47 -12.11 C:6 17.26 -12.83 C:10 15.97 -10.71 C:13 19.67 -8.58 C:8 18.47 -10.71 C:5 15.97 -12.11 C:9 17.26 -10.00 42 1 -1 2 32 1 3 33 1 44 4 -2 45 5 -2 46 6 -2 7 32 2 8 34 2 9 35 2 10 36 2 11 20 1 11 33 2 12 14 2 12 16 1 13 15 2 13 17 1 14 25 1 15 26 1 16 37 2 17 38 2 18 25 2 18 37 1 19 26 2 19 38 1 20 21 1 21 42 1 22 27 1 43 22 -2 23 34 1 43 23 -1 24 39 1 24 43 1 27 34 1 28 32 1 40 28 -1 29 35 1 39 29 -1 30 36 1 41 30 -2 31 43 1 31 44 1 33 45 1 35 37 1 36 38 1 39 46 1 40 41 1 40 44 1 41 45 1 42 45 1 42 46 1 44 46 1', '46 51 H 15.97 -9.71 C 22.16 -12.70 C 14.75 -14.26 C 18.47 -9.35 C 15.97 -13.55 C 17.26 -11.40 O 20.85 -10.71 O 21.93 -5.73 O 17.26 -5.73 O 19.67 -14.32 C 13.54 -12.11 C 13.54 -3.66 C 17.26 -18.50 C 12.38 -4.34 C 18.47 -19.19 C 14.75 -4.34 C 17.26 -17.10 C 13.54 -6.45 C 19.67 -17.10 C 13.54 -10.71 C 14.75 -10.00 C 20.96 -9.26 C 19.90 -7.24 C 18.47 -7.87 N 12.38 -5.73 N 19.67 -18.50 O 21.93 -8.23 O 19.67 -12.83 O 15.97 -7.87 O 17.26 -14.26 O 19.67 -10.00 C 20.85 -12.11 C 14.75 -12.83 C 21.28 -7.00 C 15.97 -6.45 C 18.47 -14.98 C 14.75 -5.73 C 18.47 -16.39 C 17.26 -8.58 C 18.47 -12.11 C 17.26 -12.83 C 15.97 -10.71 C 19.67 -8.58 C 18.47 -10.71 C 15.97 -12.11 C 17.26 -10.00 42 1 -1 2 32 1 3 33 1 44 4 -2 45 5 -2 46 6 -2 7 32 2 8 34 2 9 35 2 10 36 2 11 20 1 11 33 2 12 14 2 12 16 1 13 15 2 13 17 1 14 25 1 15 26 1 16 37 2 17 38 2 18 25 2 18 37 1 19 26 2 19 38 1 20 21 1 21 42 1 22 27 1 43 22 -2 23 34 1 43 23 -1 24 39 1 24 43 1 27 34 1 28 32 1 40 28 -1 29 35 1 39 29 -1 30 36 1 41 30 -2 31 43 1 31 44 1 33 45 1 35 37 1 36 38 1 39 46 1 40 41 1 40 44 1 41 45 1 42 45 1 42 46 1 44 46 1', '46 51 H 15.97 -9.71 C:22 22.16 -12.70 C:20 14.75 -14.26 C:21 18.47 -9.35 C:17 15.97 -13.55 C:20 17.26 -11.40 O 20.85 -10.71 O 21.93 -5.73 O 17.26 -5.73 O 19.67 -14.32 C:120 13.54 -12.11 C:124 13.54 -3.66 C:124 17.26 -18.50 C:154 12.38 -4.34 C:154 18.47 -19.19 C:137 14.75 -4.34 C:137 17.26 -17.10 C:151 13.54 -6.45 C:151 19.67 -17.10 C:33 13.54 -10.71 C:29 14.75 -10.00 C:77 20.96 -9.26 C:45 19.90 -7.24 C:30 18.47 -7.87 N 12.38 -5.73 N 19.67 -18.50 O 21.93 -8.23 O 19.67 -12.83 O 15.97 -7.87 O 17.26 -14.26 O 19.67 -10.00 C:171 20.85 -12.11 C:143 14.75 -12.83 C:174 21.28 -7.00 C:165 15.97 -6.45 C:164 18.47 -14.98 C:126 14.75 -5.73 C:126 18.47 -16.39 C:72 17.26 -8.58 C:74 18.47 -12.11 C:75 17.26 -12.83 C:44 15.97 -10.71 C:77 19.67 -8.58 C:81 18.47 -10.71 C:45 15.97 -12.11 C:39 17.26 -10.00 42 1 -1 2 32 1 3 33 1 44 4 -2 45 5 -2 46 6 -2 7 32 2 8 34 2 9 35 2 10 36 2 11 20 1 11 33 2 12 14 2 12 16 1 13 15 2 13 17 1 14 25 1 15 26 1 16 37 2 17 38 2 18 25 2 18 37 1 19 26 2 19 38 1 20 21 1 21 42 1 22 27 1 43 22 -2 23 34 1 43 23 -1 24 39 1 24 43 1 27 34 1 28 32 1 40 28 -1 29 35 1 39 29 -1 30 36 1 41 30 -2 31 43 1 31 44 1 33 45 1 35 37 1 36 38 1 39 46 1 40 41 1 40 44 1 41 45 1 42 45 1 42 46 1 44 46 1', 'C34H38N2O9', 618.38, 'C', 'cpb07_1218_3', 3704, '', '', '1', 47, NULL, NULL),
(14524, 'Scutebarbatine H', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:11]4([C@@:9]3([CH3:20])[C@@:8]([CH3:17])(O)[C@@H:7](O)[C@H:6](O[C:6001](=O)[c:6002]1[cH:6007][cH:6006][cH:6005]n[cH:6003]1)[C@@:5]2([CH3:19])[C:4]([CH3:18])=[CH:3][CH2:2][CH2:1][C@@:10]23[H])[CH2:12][C:13]5=[C:14](O4)[C:15](=O)O[CH2:16]5', '[H][C@]4([C@@]3(C)[C@@](C)(O)[C@@H](O)[C@H](OC(=O)c1cccnc1)[C@@]2(C)C(C)=CCC[C@@]23[H])CC5=C(O4)C(=O)OC5', '[H][C@:76]4([C@@:47]3([CH3:17])[C@@:79]([CH3:22])(O)[C@@H:75](O)[C@H:80](O[C:166](=O)[c:127]1[cH:139][cH:124][cH:153]n[cH:151]1)[C@@:43]2([CH3:18])[C:141]([CH3:21])=[CH:124][CH2:26][CH2:20][C@@:41]23[H])[CH2:29][C:131]5=[C:139](O4)[C:171](=O)O[CH2:70]5', '36 40 H 16.99 -8.80 H 16.59 -9.49 C:18 15.42 -14.04 C:17 19.69 -9.30 C:19 16.59 -13.43 C:20 18.89 -8.87 O 15.26 -4.37 O 20.22 -14.04 O 20.22 -12.64 O 20.41 -10.51 C:3 14.12 -11.92 C:6006 17.82 -18.23 C:6005 19.02 -18.92 C:6007 17.82 -16.84 C:6003 20.22 -16.84 C:2 14.12 -10.51 C:16 19.02 -4.77 C:1 15.42 -9.80 C:12 19.02 -7.53 N 20.22 -18.23 O 17.82 -3.91 O 17.82 -14.04 O 16.59 -7.53 C:4 15.42 -12.64 C:15 16.59 -4.77 C:6001 19.02 -14.75 C:13 18.54 -6.14 C:14 17.09 -6.14 C:6002 19.02 -16.15 C:7 19.02 -11.92 C:6 17.82 -12.64 C:8 19.02 -10.51 C:11 17.82 -8.39 C:10 16.59 -10.51 C:5 16.59 -11.92 C:9 17.82 -9.80 33 1 -1 34 2 -1 3 24 1 32 4 -2 35 5 -2 36 6 -2 7 25 2 8 26 2 30 9 -1 32 10 -1 11 16 1 11 24 2 12 13 2 12 14 1 13 20 1 14 29 2 15 20 2 15 29 1 16 18 1 17 21 1 17 27 1 18 34 1 19 27 1 19 33 1 21 25 1 22 26 1 31 22 -2 23 28 1 23 33 1 24 35 1 25 28 1 26 29 1 27 28 2 30 31 1 30 32 1 31 35 1 32 36 1 33 36 1 34 35 1 34 36 1', '36 40 H 16.99 -8.80 H 16.59 -9.49 C 15.42 -14.04 C 19.69 -9.30 C 16.59 -13.43 C 18.89 -8.87 O 15.26 -4.37 O 20.22 -14.04 O 20.22 -12.64 O 20.41 -10.51 C 14.12 -11.92 C 17.82 -18.23 C 19.02 -18.92 C 17.82 -16.84 C 20.22 -16.84 C 14.12 -10.51 C 19.02 -4.77 C 15.42 -9.80 C 19.02 -7.53 N 20.22 -18.23 O 17.82 -3.91 O 17.82 -14.04 O 16.59 -7.53 C 15.42 -12.64 C 16.59 -4.77 C 19.02 -14.75 C 18.54 -6.14 C 17.09 -6.14 C 19.02 -16.15 C 19.02 -11.92 C 17.82 -12.64 C 19.02 -10.51 C 17.82 -8.39 C 16.59 -10.51 C 16.59 -11.92 C 17.82 -9.80 33 1 -1 34 2 -1 3 24 1 32 4 -2 35 5 -2 36 6 -2 7 25 2 8 26 2 30 9 -1 32 10 -1 11 16 1 11 24 2 12 13 2 12 14 1 13 20 1 14 29 2 15 20 2 15 29 1 16 18 1 17 21 1 17 27 1 18 34 1 19 27 1 19 33 1 21 25 1 22 26 1 31 22 -2 23 28 1 23 33 1 24 35 1 25 28 1 26 29 1 27 28 2 30 31 1 30 32 1 31 35 1 32 36 1 33 36 1 34 35 1 34 36 1', '36 40 H 16.99 -8.80 H 16.59 -9.49 C:21 15.42 -14.04 C:22 19.69 -9.30 C:18 16.59 -13.43 C:17 18.89 -8.87 O 15.26 -4.37 O 20.22 -14.04 O 20.22 -12.64 O 20.41 -10.51 C:124 14.12 -11.92 C:124 17.82 -18.23 C:153 19.02 -18.92 C:139 17.82 -16.84 C:151 20.22 -16.84 C:26 14.12 -10.51 C:70 19.02 -4.77 C:20 15.42 -9.80 C:29 19.02 -7.53 N 20.22 -18.23 O 17.82 -3.91 O 17.82 -14.04 O 16.59 -7.53 C:141 15.42 -12.64 C:171 16.59 -4.77 C:166 19.02 -14.75 C:131 18.54 -6.14 C:139 17.09 -6.14 C:127 19.02 -16.15 C:75 19.02 -11.92 C:80 17.82 -12.64 C:79 19.02 -10.51 C:76 17.82 -8.39 C:41 16.59 -10.51 C:43 16.59 -11.92 C:47 17.82 -9.80 33 1 -1 34 2 -1 3 24 1 32 4 -2 35 5 -2 36 6 -2 7 25 2 8 26 2 30 9 -1 32 10 -1 11 16 1 11 24 2 12 13 2 12 14 1 13 20 1 14 29 2 15 20 2 15 29 1 16 18 1 17 21 1 17 27 1 18 34 1 19 27 1 19 33 1 21 25 1 22 26 1 31 22 -2 23 28 1 23 33 1 24 35 1 25 28 1 26 29 1 27 28 2 30 31 1 30 32 1 31 35 1 32 36 1 33 36 1 34 35 1 34 36 1', 'C26H31NO7', 469.297, 'C', 'cpb07_1218_4', 3704, '', '', '1', 47, NULL, NULL),
(14526, '', '15-hydroxy-16-acetoxy-ent-clerod-3-en-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][CH:13]([CH2:14][CH2:15]O)[CH2:16]O[C:16001]([CH3:16002])=O', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(CCO)COC(C)=O', '[H][C@:47]12[CH2:18][CH2:27][CH:140]=[C:142]([C:172](=O)O)[C@:38]1([CH3:21])[CH2:36][CH2:28][C@@H:36]([CH3:16])[C@:39]2([CH3:19])[CH2:35][CH2:24][CH:35]([CH2:35][CH2:61]O)[CH2:67]O[C:171]([CH3:21])=O', '28 29 H 17.22 -12.50 C:16002 14.80 -5.12 C:17 20.93 -12.81 C:19 17.22 -16.36 C:20 19.54 -11.87 O 13.59 -7.22 O 14.80 -17.78 O 19.72 -6.52 O 17.22 -17.78 C:3 14.80 -14.95 C:15 18.47 -7.22 C:2 14.80 -13.53 C:14 18.47 -8.62 C:7 19.72 -14.95 C:12 17.22 -10.70 C:1 16.01 -12.81 C:6 18.47 -15.65 C:11 18.47 -11.39 C:16 16.01 -8.62 O 16.01 -7.22 C:16001 14.80 -6.52 C:18 16.01 -17.08 C:4 16.01 -15.65 C:8 19.72 -13.53 C:13 17.22 -9.32 C:5 17.22 -14.95 C:10 17.22 -13.53 C:9 18.47 -12.81 27 1 -1 2 21 1 24 3 -2 26 4 -2 28 5 -2 6 21 2 7 22 2 8 11 1 9 22 1 10 12 1 10 23 2 11 13 1 12 16 1 13 25 1 14 17 1 14 24 1 15 18 1 15 25 1 16 27 1 17 26 1 18 28 1 19 20 1 19 25 1 20 21 1 22 23 1 23 26 1 24 28 1 26 27 1 27 28 1', '28 29 H 17.22 -12.50 C 14.80 -5.12 C 20.93 -12.81 C 17.22 -16.36 C 19.54 -11.87 O 13.59 -7.22 O 14.80 -17.78 O 19.72 -6.52 O 17.22 -17.78 C 14.80 -14.95 C 18.47 -7.22 C 14.80 -13.53 C 18.47 -8.62 C 19.72 -14.95 C 17.22 -10.70 C 16.01 -12.81 C 18.47 -15.65 C 18.47 -11.39 C 16.01 -8.62 O 16.01 -7.22 C 14.80 -6.52 C 16.01 -17.08 C 16.01 -15.65 C 19.72 -13.53 C 17.22 -9.32 C 17.22 -14.95 C 17.22 -13.53 C 18.47 -12.81 27 1 -1 2 21 1 24 3 -2 26 4 -2 28 5 -2 6 21 2 7 22 2 8 11 1 9 22 1 10 12 1 10 23 2 11 13 1 12 16 1 13 25 1 14 17 1 14 24 1 15 18 1 15 25 1 16 27 1 17 26 1 18 28 1 19 20 1 19 25 1 20 21 1 22 23 1 23 26 1 24 28 1 26 27 1 27 28 1', '28 29 H 17.22 -12.50 C:21 14.80 -5.12 C:16 20.93 -12.81 C:21 17.22 -16.36 C:19 19.54 -11.87 O 13.59 -7.22 O 14.80 -17.78 O 19.72 -6.52 O 17.22 -17.78 C:140 14.80 -14.95 C:61 18.47 -7.22 C:27 14.80 -13.53 C:35 18.47 -8.62 C:28 19.72 -14.95 C:24 17.22 -10.70 C:18 16.01 -12.81 C:36 18.47 -15.65 C:35 18.47 -11.39 C:67 16.01 -8.62 O 16.01 -7.22 C:171 14.80 -6.52 C:172 16.01 -17.08 C:142 16.01 -15.65 C:36 19.72 -13.53 C:35 17.22 -9.32 C:38 17.22 -14.95 C:47 17.22 -13.53 C:39 18.47 -12.81 27 1 -1 2 21 1 24 3 -2 26 4 -2 28 5 -2 6 21 2 7 22 2 8 11 1 9 22 1 10 12 1 10 23 2 11 13 1 12 16 1 13 25 1 14 17 1 14 24 1 15 18 1 15 25 1 16 27 1 17 26 1 18 28 1 19 20 1 19 25 1 20 21 1 22 23 1 23 26 1 24 28 1 26 27 1 27 28 1', 'C22H36O5', 380.24, 'C', 'cpb07_1532_1', 3705, '', '', '1', 47, NULL, NULL),
(14527, 'Scutebarbatines I', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:13]16[CH2:14][C@H:15](O[CH2:15001][CH3:15002])O[C@@:16]1([H])O[C@:11]([H])([C@@:9]3([CH3:20])[C@H:8]([CH3:17])[CH2:7][C@H:6](O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105]n[cH:103]2)[C@:5]4([CH2:19]O[C:19001]([CH3:19002])=O)[C@:10]3([H])[CH2:1][CH2:2][CH2:3][C@:4]45[CH2:18]O5)[CH2:12]6', '[H][C@]16C[C@H](OCC)O[C@@]1([H])O[C@]([H])([C@@]3(C)[C@H](C)C[C@H](OC(=O)c2cccnc2)[C@]4(COC(C)=O)[C@]3([H])CCC[C@]45CO5)C6', '[H][C@:40]16[CH2:38][C@H:104](O[CH2:63][CH3:15])O[C@@:107]1([H])O[C@:84]([H])([C@@:40]3([CH3:14])[C@H:37]([CH3:17])[CH2:34][C@H:72](O[C:165](=O)[c:127]2[cH:138][cH:124][cH:154]n[cH:152]2)[C@:46]4([CH2:63]O[C:171]([CH3:22])=O)[C@:49]3([H])[CH2:25][CH2:22][CH2:32][C@:65]45[CH2:48]O5)[CH2:33]6', '43 48 H 19.52 -7.84 H 17.00 -10.52 H 16.16 -7.84 H 16.60 -11.22 C:15002 19.06 -2.10 C:19002 15.42 -18.73 C:17 20.36 -11.53 C:20 18.93 -10.59 O 14.21 -16.63 O 20.28 -15.83 C:106 20.28 -20.07 C:105 19.06 -20.77 C:107 20.28 -18.67 C:103 17.85 -18.67 C:15001 19.06 -3.49 C:2 14.10 -12.25 C:1 15.42 -11.53 C:3 14.10 -13.69 C:19 16.60 -15.22 C:18 15.42 -15.83 C:7 19.06 -13.69 C:14 19.06 -6.45 C:12 19.06 -9.25 N 17.85 -20.07 O 16.60 -16.63 O 17.85 -4.18 O 14.10 -15.12 O 17.85 -15.83 O 16.60 -6.45 O 16.60 -9.25 C:19001 15.42 -17.33 C:101 19.06 -16.55 C:102 19.06 -17.97 C:8 19.06 -12.25 C:15 17.85 -5.58 C:6 17.85 -14.42 C:13 18.57 -7.84 C:11 17.85 -10.11 C:16 17.11 -7.84 C:10 16.60 -12.25 C:4 15.42 -14.42 C:9 17.85 -11.53 C:5 16.60 -13.69 37 1 -1 38 2 -2 39 3 -1 40 4 -1 5 15 1 6 31 1 34 7 -2 42 8 -2 9 31 2 10 32 2 11 12 2 11 13 1 12 24 1 13 33 2 14 24 2 14 33 1 15 26 1 16 17 1 16 18 1 17 40 1 18 41 1 19 25 1 43 19 -2 20 27 1 41 20 -1 21 34 1 21 36 1 22 35 1 22 37 1 23 37 1 23 38 1 25 31 1 35 26 -1 41 27 -2 28 32 1 36 28 -2 29 35 1 29 39 1 30 38 1 30 39 1 32 33 1 34 42 1 36 43 1 37 39 1 38 42 1 40 42 1 40 43 1 41 43 1', '43 48 H 19.52 -7.84 H 17.00 -10.52 H 16.16 -7.84 H 16.60 -11.22 C 19.06 -2.10 C 15.42 -18.73 C 20.36 -11.53 C 18.93 -10.59 O 14.21 -16.63 O 20.28 -15.83 C 20.28 -20.07 C 19.06 -20.77 C 20.28 -18.67 C 17.85 -18.67 C 19.06 -3.49 C 14.10 -12.25 C 15.42 -11.53 C 14.10 -13.69 C 16.60 -15.22 C 15.42 -15.83 C 19.06 -13.69 C 19.06 -6.45 C 19.06 -9.25 N 17.85 -20.07 O 16.60 -16.63 O 17.85 -4.18 O 14.10 -15.12 O 17.85 -15.83 O 16.60 -6.45 O 16.60 -9.25 C 15.42 -17.33 C 19.06 -16.55 C 19.06 -17.97 C 19.06 -12.25 C 17.85 -5.58 C 17.85 -14.42 C 18.57 -7.84 C 17.85 -10.11 C 17.11 -7.84 C 16.60 -12.25 C 15.42 -14.42 C 17.85 -11.53 C 16.60 -13.69 37 1 -1 38 2 -2 39 3 -1 40 4 -1 5 15 1 6 31 1 34 7 -2 42 8 -2 9 31 2 10 32 2 11 12 2 11 13 1 12 24 1 13 33 2 14 24 2 14 33 1 15 26 1 16 17 1 16 18 1 17 40 1 18 41 1 19 25 1 43 19 -2 20 27 1 41 20 -1 21 34 1 21 36 1 22 35 1 22 37 1 23 37 1 23 38 1 25 31 1 35 26 -1 41 27 -2 28 32 1 36 28 -2 29 35 1 29 39 1 30 38 1 30 39 1 32 33 1 34 42 1 36 43 1 37 39 1 38 42 1 40 42 1 40 43 1 41 43 1', '43 48 H 19.52 -7.84 H 17.00 -10.52 H 16.16 -7.84 H 16.60 -11.22 C:15 19.06 -2.10 C:22 15.42 -18.73 C:17 20.36 -11.53 C:14 18.93 -10.59 O 14.21 -16.63 O 20.28 -15.83 C:124 20.28 -20.07 C:154 19.06 -20.77 C:138 20.28 -18.67 C:152 17.85 -18.67 C:63 19.06 -3.49 C:22 14.10 -12.25 C:25 15.42 -11.53 C:32 14.10 -13.69 C:63 16.60 -15.22 C:48 15.42 -15.83 C:34 19.06 -13.69 C:38 19.06 -6.45 C:33 19.06 -9.25 N 17.85 -20.07 O 16.60 -16.63 O 17.85 -4.18 O 14.10 -15.12 O 17.85 -15.83 O 16.60 -6.45 O 16.60 -9.25 C:171 15.42 -17.33 C:165 19.06 -16.55 C:127 19.06 -17.97 C:37 19.06 -12.25 C:104 17.85 -5.58 C:72 17.85 -14.42 C:40 18.57 -7.84 C:84 17.85 -10.11 C:107 17.11 -7.84 C:49 16.60 -12.25 C:65 15.42 -14.42 C:40 17.85 -11.53 C:46 16.60 -13.69 37 1 -1 38 2 -2 39 3 -1 40 4 -1 5 15 1 6 31 1 34 7 -2 42 8 -2 9 31 2 10 32 2 11 12 2 11 13 1 12 24 1 13 33 2 14 24 2 14 33 1 15 26 1 16 17 1 16 18 1 17 40 1 18 41 1 19 25 1 43 19 -2 20 27 1 41 20 -1 21 34 1 21 36 1 22 35 1 22 37 1 23 37 1 23 38 1 25 31 1 35 26 -1 41 27 -2 28 32 1 36 28 -2 29 35 1 29 39 1 30 38 1 30 39 1 32 33 1 34 42 1 36 43 1 37 39 1 38 42 1 40 42 1 40 43 1 41 43 1', 'C30H41NO8', 543.355, 'C', 'cpb08_207_1', 3706, '', '', '1', 47, NULL, NULL),
(14528, 'Scutebarbatines J', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:13]16[CH2:14][C@@H:15](O[CH2:15001][CH3:15002])O[C@@:16]1([H])O[C@:11]([H])([C@@:9]3([CH3:20])[C@H:8]([CH3:17])[CH2:7][C@H:6](O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105]n[cH:103]2)[C@:5]4([CH2:19]O[C:19001]([CH3:19002])=O)[C@:10]3([H])[CH2:1][CH2:2][CH2:3][C@:4]45[CH2:18]O5)[CH2:12]6', '[H][C@]16C[C@@H](OCC)O[C@@]1([H])O[C@]([H])([C@@]3(C)[C@H](C)C[C@H](OC(=O)c2cccnc2)[C@]4(COC(C)=O)[C@]3([H])CCC[C@]45CO5)C6', '[H][C@:41]16[CH2:40][C@@H:104](O[CH2:63][CH3:15])O[C@@:109]1([H])O[C@:84]([H])([C@@:40]3([CH3:14])[C@H:36]([CH3:17])[CH2:34][C@H:72](O[C:165](=O)[c:127]2[cH:138][cH:124][cH:154]n[cH:152]2)[C@:46]4([CH2:63]O[C:170]([CH3:21])=O)[C@:49]3([H])[CH2:25][CH2:22][CH2:33][C@:65]45[CH2:48]O5)[CH2:33]6', '43 48 H 19.52 -7.84 H 17.00 -10.52 H 16.16 -7.84 H 16.60 -11.22 C:15002 19.06 -2.10 C:19002 15.42 -18.73 C:17 20.36 -11.53 C:20 18.93 -10.59 O 14.21 -16.63 O 20.28 -15.83 C:106 20.28 -20.07 C:105 19.06 -20.77 C:107 20.28 -18.67 C:103 17.85 -18.67 C:15001 19.06 -3.49 C:2 14.10 -12.25 C:1 15.42 -11.53 C:3 14.10 -13.69 C:19 16.60 -15.22 C:18 15.42 -15.83 C:7 19.06 -13.69 C:14 19.06 -6.45 C:12 19.06 -9.25 N 17.85 -20.07 O 16.60 -16.63 O 17.85 -4.18 O 14.10 -15.12 O 17.85 -15.83 O 16.60 -6.45 O 16.60 -9.25 C:19001 15.42 -17.33 C:101 19.06 -16.55 C:102 19.06 -17.97 C:8 19.06 -12.25 C:15 17.85 -5.58 C:6 17.85 -14.42 C:13 18.57 -7.84 C:11 17.85 -10.11 C:16 17.11 -7.84 C:10 16.60 -12.25 C:4 15.42 -14.42 C:9 17.85 -11.53 C:5 16.60 -13.69 37 1 -1 38 2 -2 39 3 -1 40 4 -1 5 15 1 6 31 1 34 7 -2 42 8 -2 9 31 2 10 32 2 11 12 2 11 13 1 12 24 1 13 33 2 14 24 2 14 33 1 15 26 1 16 17 1 16 18 1 17 40 1 18 41 1 19 25 1 43 19 -2 20 27 1 41 20 -1 21 34 1 21 36 1 22 35 1 22 37 1 23 37 1 23 38 1 25 31 1 35 26 -2 41 27 -2 28 32 1 36 28 -2 29 35 1 29 39 1 30 38 1 30 39 1 32 33 1 34 42 1 36 43 1 37 39 1 38 42 1 40 42 1 40 43 1 41 43 1', '43 48 H 19.52 -7.84 H 17.00 -10.52 H 16.16 -7.84 H 16.60 -11.22 C 19.06 -2.10 C 15.42 -18.73 C 20.36 -11.53 C 18.93 -10.59 O 14.21 -16.63 O 20.28 -15.83 C 20.28 -20.07 C 19.06 -20.77 C 20.28 -18.67 C 17.85 -18.67 C 19.06 -3.49 C 14.10 -12.25 C 15.42 -11.53 C 14.10 -13.69 C 16.60 -15.22 C 15.42 -15.83 C 19.06 -13.69 C 19.06 -6.45 C 19.06 -9.25 N 17.85 -20.07 O 16.60 -16.63 O 17.85 -4.18 O 14.10 -15.12 O 17.85 -15.83 O 16.60 -6.45 O 16.60 -9.25 C 15.42 -17.33 C 19.06 -16.55 C 19.06 -17.97 C 19.06 -12.25 C 17.85 -5.58 C 17.85 -14.42 C 18.57 -7.84 C 17.85 -10.11 C 17.11 -7.84 C 16.60 -12.25 C 15.42 -14.42 C 17.85 -11.53 C 16.60 -13.69 37 1 -1 38 2 -2 39 3 -1 40 4 -1 5 15 1 6 31 1 34 7 -2 42 8 -2 9 31 2 10 32 2 11 12 2 11 13 1 12 24 1 13 33 2 14 24 2 14 33 1 15 26 1 16 17 1 16 18 1 17 40 1 18 41 1 19 25 1 43 19 -2 20 27 1 41 20 -1 21 34 1 21 36 1 22 35 1 22 37 1 23 37 1 23 38 1 25 31 1 35 26 -2 41 27 -2 28 32 1 36 28 -2 29 35 1 29 39 1 30 38 1 30 39 1 32 33 1 34 42 1 36 43 1 37 39 1 38 42 1 40 42 1 40 43 1 41 43 1', '43 48 H 19.52 -7.84 H 17.00 -10.52 H 16.16 -7.84 H 16.60 -11.22 C:15 19.06 -2.10 C:21 15.42 -18.73 C:17 20.36 -11.53 C:14 18.93 -10.59 O 14.21 -16.63 O 20.28 -15.83 C:124 20.28 -20.07 C:154 19.06 -20.77 C:138 20.28 -18.67 C:152 17.85 -18.67 C:63 19.06 -3.49 C:22 14.10 -12.25 C:25 15.42 -11.53 C:33 14.10 -13.69 C:63 16.60 -15.22 C:48 15.42 -15.83 C:34 19.06 -13.69 C:40 19.06 -6.45 C:33 19.06 -9.25 N 17.85 -20.07 O 16.60 -16.63 O 17.85 -4.18 O 14.10 -15.12 O 17.85 -15.83 O 16.60 -6.45 O 16.60 -9.25 C:170 15.42 -17.33 C:165 19.06 -16.55 C:127 19.06 -17.97 C:36 19.06 -12.25 C:104 17.85 -5.58 C:72 17.85 -14.42 C:41 18.57 -7.84 C:84 17.85 -10.11 C:109 17.11 -7.84 C:49 16.60 -12.25 C:65 15.42 -14.42 C:40 17.85 -11.53 C:46 16.60 -13.69 37 1 -1 38 2 -2 39 3 -1 40 4 -1 5 15 1 6 31 1 34 7 -2 42 8 -2 9 31 2 10 32 2 11 12 2 11 13 1 12 24 1 13 33 2 14 24 2 14 33 1 15 26 1 16 17 1 16 18 1 17 40 1 18 41 1 19 25 1 43 19 -2 20 27 1 41 20 -1 21 34 1 21 36 1 22 35 1 22 37 1 23 37 1 23 38 1 25 31 1 35 26 -2 41 27 -2 28 32 1 36 28 -2 29 35 1 29 39 1 30 38 1 30 39 1 32 33 1 34 42 1 36 43 1 37 39 1 38 42 1 40 42 1 40 43 1 41 43 1', 'C30H41NO8', 543.355, 'C', 'cpb08_207_2', 3706, '', '', '1', 47, NULL, NULL),
(14529, 'Scutebarbatines K', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105]n[cH:103]2)[C@H:7](O[C:7001]([CH3:7002])=O)[C@:8]([CH3:17])(O)[C@:9]3([CH3:20])[CH:11]=[CH:12][C:13]4=[CH:14][C:15](=O)O[CH2:16]4', '[H][C@]13CCC=C(C)[C@]1(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(C)=O)[C@](C)(O)[C@]3(C)C=CC4=CC(=O)OC4', '[H][C@:43]13[CH2:19][CH2:26][CH:123]=[C:141]([CH3:20])[C@:43]1([CH3:17])[C@@H:75](O[C:165](=O)[c:126]2[cH:137][cH:124][cH:154]n[cH:151]2)[C@H:76](O[C:170]([CH3:21])=O)[C@:77]([CH3:23])(O)[C@:48]3([CH3:15])[CH:147]=[CH:122][C:162]4=[CH:115][C:174](=O)O[CH2:71]4', '37 40 H 15.42 -9.92 C:7002 21.55 -12.95 C:18 14.20 -14.46 C:17 19.20 -11.45 C:20 17.71 -9.29 C:19 15.42 -13.77 O 20.32 -10.94 O 16.91 -3.44 O 19.05 -14.46 O 19.05 -9.92 C:12 15.42 -8.12 C:11 16.62 -8.80 C:3 12.98 -12.34 C:14 16.53 -5.90 C:106 16.62 -18.66 C:105 17.83 -19.37 C:107 16.62 -17.26 C:103 19.05 -17.26 C:2 12.98 -10.94 C:16 14.27 -5.90 C:1 14.20 -10.22 N 19.05 -18.66 O 14.69 -4.58 O 19.13 -13.05 O 16.62 -14.46 C:7001 20.32 -12.29 C:15 16.09 -4.58 C:4 14.20 -13.05 C:13 15.42 -6.74 C:101 17.83 -15.16 C:102 17.83 -16.56 C:7 17.89 -12.34 C:6 16.62 -13.05 C:8 17.89 -10.94 C:9 16.62 -10.22 C:10 15.42 -10.94 C:5 15.42 -12.34 36 1 -1 2 26 1 3 28 1 34 4 -2 35 5 -2 37 6 -2 7 26 2 8 27 2 9 30 2 34 10 -1 11 12 2 11 29 1 12 35 1 13 19 1 13 28 2 14 27 1 14 29 2 15 16 2 15 17 1 16 22 1 17 31 2 18 22 2 18 31 1 19 21 1 20 23 1 20 29 1 21 36 1 23 27 1 24 26 1 32 24 -1 25 30 1 33 25 -2 28 37 1 30 31 1 32 33 1 32 34 1 33 37 1 34 35 1 35 36 1 36 37 1', '37 40 H 15.42 -9.92 C 21.55 -12.95 C 14.20 -14.46 C 19.20 -11.45 C 17.71 -9.29 C 15.42 -13.77 O 20.32 -10.94 O 16.91 -3.44 O 19.05 -14.46 O 19.05 -9.92 C 15.42 -8.12 C 16.62 -8.80 C 12.98 -12.34 C 16.53 -5.90 C 16.62 -18.66 C 17.83 -19.37 C 16.62 -17.26 C 19.05 -17.26 C 12.98 -10.94 C 14.27 -5.90 C 14.20 -10.22 N 19.05 -18.66 O 14.69 -4.58 O 19.13 -13.05 O 16.62 -14.46 C 20.32 -12.29 C 16.09 -4.58 C 14.20 -13.05 C 15.42 -6.74 C 17.83 -15.16 C 17.83 -16.56 C 17.89 -12.34 C 16.62 -13.05 C 17.89 -10.94 C 16.62 -10.22 C 15.42 -10.94 C 15.42 -12.34 36 1 -1 2 26 1 3 28 1 34 4 -2 35 5 -2 37 6 -2 7 26 2 8 27 2 9 30 2 34 10 -1 11 12 2 11 29 1 12 35 1 13 19 1 13 28 2 14 27 1 14 29 2 15 16 2 15 17 1 16 22 1 17 31 2 18 22 2 18 31 1 19 21 1 20 23 1 20 29 1 21 36 1 23 27 1 24 26 1 32 24 -1 25 30 1 33 25 -2 28 37 1 30 31 1 32 33 1 32 34 1 33 37 1 34 35 1 35 36 1 36 37 1', '37 40 H 15.42 -9.92 C:21 21.55 -12.95 C:20 14.20 -14.46 C:23 19.20 -11.45 C:15 17.71 -9.29 C:17 15.42 -13.77 O 20.32 -10.94 O 16.91 -3.44 O 19.05 -14.46 O 19.05 -9.92 C:122 15.42 -8.12 C:147 16.62 -8.80 C:123 12.98 -12.34 C:115 16.53 -5.90 C:124 16.62 -18.66 C:154 17.83 -19.37 C:137 16.62 -17.26 C:151 19.05 -17.26 C:26 12.98 -10.94 C:71 14.27 -5.90 C:19 14.20 -10.22 N 19.05 -18.66 O 14.69 -4.58 O 19.13 -13.05 O 16.62 -14.46 C:170 20.32 -12.29 C:174 16.09 -4.58 C:141 14.20 -13.05 C:162 15.42 -6.74 C:165 17.83 -15.16 C:126 17.83 -16.56 C:76 17.89 -12.34 C:75 16.62 -13.05 C:77 17.89 -10.94 C:48 16.62 -10.22 C:43 15.42 -10.94 C:43 15.42 -12.34 36 1 -1 2 26 1 3 28 1 34 4 -2 35 5 -2 37 6 -2 7 26 2 8 27 2 9 30 2 34 10 -1 11 12 2 11 29 1 12 35 1 13 19 1 13 28 2 14 27 1 14 29 2 15 16 2 15 17 1 16 22 1 17 31 2 18 22 2 18 31 1 19 21 1 20 23 1 20 29 1 21 36 1 23 27 1 24 26 1 32 24 -1 25 30 1 33 25 -2 28 37 1 30 31 1 32 33 1 32 34 1 33 37 1 34 35 1 35 36 1 36 37 1', 'C28H33NO7', 495.31, 'C', 'cpb08_207_3', 3706, '', '', '1', 47, NULL, NULL),
(14530, 'Scutebarbatines L', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105]n[cH:103]2)[C@H:7](O[C:201](=O)[CH:202](O[C:202001]([CH3:202002])=O)[CH:203]([CH3:203001])[CH3:204])[C@:8]([CH3:17])(O)[C@:9]3([CH3:20])[CH:11]=[CH:12][C:13]4=[CH:14][C:15](=O)O[CH2:16]4', '[H][C@]13CCC=C(C)[C@]1(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)C(OC(C)=O)C(C)C)[C@](C)(O)[C@]3(C)C=CC4=CC(=O)OC4', '[H][C@:43]13[CH2:19][CH2:26][CH:124]=[C:141]([CH3:20])[C@:43]1([CH3:17])[C@@H:75](O[C:164](=O)[c:126]2[cH:137][cH:123][cH:153]n[cH:151]2)[C@H:77](O[C:169](=O)[CH:76](O[C:172]([CH3:21])=O)[CH:29]([CH3:19])[CH3:16])[C@:77]([CH3:23])(O)[C@:48]3([CH3:16])[CH:147]=[CH:122][C:162]4=[CH:115][C:174](=O)O[CH2:71]4', '44 47 H 14.19 -9.95 C:202002 21.54 -16.44 C:18 12.93 -14.48 C:203001 21.47 -10.83 C:204 22.75 -12.89 C:17 17.95 -11.47 C:20 16.45 -9.32 C:19 14.19 -13.78 O 22.75 -14.37 O 15.65 -3.49 O 17.80 -14.48 O 19.05 -10.96 O 17.80 -9.95 C:12 14.19 -8.15 C:11 15.36 -8.83 C:3 11.71 -12.36 C:14 15.27 -5.95 C:106 15.36 -18.69 C:105 16.57 -19.39 C:107 15.36 -17.28 C:103 17.80 -17.28 C:2 11.71 -10.96 C:16 13.00 -5.95 C:1 12.93 -10.24 N 17.80 -18.69 O 13.42 -4.63 O 20.31 -14.37 O 15.36 -14.48 O 17.88 -13.07 C:202001 21.54 -15.04 C:15 14.83 -4.63 C:4 12.93 -13.07 C:13 14.19 -6.78 C:101 16.57 -15.18 C:201 19.05 -12.36 C:102 16.57 -16.58 C:203 21.47 -12.23 C:202 20.31 -12.97 C:7 16.63 -12.36 C:6 15.36 -13.07 C:8 16.63 -10.96 C:9 15.36 -10.24 C:10 14.19 -10.96 C:5 14.19 -12.36 43 1 -1 2 30 1 3 32 1 4 37 1 5 37 1 41 6 -2 42 7 -2 44 8 -2 9 30 2 10 31 2 11 34 2 12 35 2 41 13 -1 14 15 2 14 33 1 15 42 1 16 22 1 16 32 2 17 31 1 17 33 2 18 19 2 18 20 1 19 25 1 20 36 2 21 25 2 21 36 1 22 24 1 23 26 1 23 33 1 24 43 1 26 31 1 27 30 1 27 38 1 28 34 1 40 28 -2 29 35 1 39 29 -1 32 44 1 34 36 1 35 38 1 37 38 1 39 40 1 39 41 1 40 44 1 41 42 1 42 43 1 43 44 1', '44 47 H 14.19 -9.95 C 21.54 -16.44 C 12.93 -14.48 C 21.47 -10.83 C 22.75 -12.89 C 17.95 -11.47 C 16.45 -9.32 C 14.19 -13.78 O 22.75 -14.37 O 15.65 -3.49 O 17.80 -14.48 O 19.05 -10.96 O 17.80 -9.95 C 14.19 -8.15 C 15.36 -8.83 C 11.71 -12.36 C 15.27 -5.95 C 15.36 -18.69 C 16.57 -19.39 C 15.36 -17.28 C 17.80 -17.28 C 11.71 -10.96 C 13.00 -5.95 C 12.93 -10.24 N 17.80 -18.69 O 13.42 -4.63 O 20.31 -14.37 O 15.36 -14.48 O 17.88 -13.07 C 21.54 -15.04 C 14.83 -4.63 C 12.93 -13.07 C 14.19 -6.78 C 16.57 -15.18 C 19.05 -12.36 C 16.57 -16.58 C 21.47 -12.23 C 20.31 -12.97 C 16.63 -12.36 C 15.36 -13.07 C 16.63 -10.96 C 15.36 -10.24 C 14.19 -10.96 C 14.19 -12.36 43 1 -1 2 30 1 3 32 1 4 37 1 5 37 1 41 6 -2 42 7 -2 44 8 -2 9 30 2 10 31 2 11 34 2 12 35 2 41 13 -1 14 15 2 14 33 1 15 42 1 16 22 1 16 32 2 17 31 1 17 33 2 18 19 2 18 20 1 19 25 1 20 36 2 21 25 2 21 36 1 22 24 1 23 26 1 23 33 1 24 43 1 26 31 1 27 30 1 27 38 1 28 34 1 40 28 -2 29 35 1 39 29 -1 32 44 1 34 36 1 35 38 1 37 38 1 39 40 1 39 41 1 40 44 1 41 42 1 42 43 1 43 44 1', '44 47 H 14.19 -9.95 C:21 21.54 -16.44 C:20 12.93 -14.48 C:19 21.47 -10.83 C:16 22.75 -12.89 C:23 17.95 -11.47 C:16 16.45 -9.32 C:17 14.19 -13.78 O 22.75 -14.37 O 15.65 -3.49 O 17.80 -14.48 O 19.05 -10.96 O 17.80 -9.95 C:122 14.19 -8.15 C:147 15.36 -8.83 C:124 11.71 -12.36 C:115 15.27 -5.95 C:123 15.36 -18.69 C:153 16.57 -19.39 C:137 15.36 -17.28 C:151 17.80 -17.28 C:26 11.71 -10.96 C:71 13.00 -5.95 C:19 12.93 -10.24 N 17.80 -18.69 O 13.42 -4.63 O 20.31 -14.37 O 15.36 -14.48 O 17.88 -13.07 C:172 21.54 -15.04 C:174 14.83 -4.63 C:141 12.93 -13.07 C:162 14.19 -6.78 C:164 16.57 -15.18 C:169 19.05 -12.36 C:126 16.57 -16.58 C:29 21.47 -12.23 C:76 20.31 -12.97 C:77 16.63 -12.36 C:75 15.36 -13.07 C:77 16.63 -10.96 C:48 15.36 -10.24 C:43 14.19 -10.96 C:43 14.19 -12.36 43 1 -1 2 30 1 3 32 1 4 37 1 5 37 1 41 6 -2 42 7 -2 44 8 -2 9 30 2 10 31 2 11 34 2 12 35 2 41 13 -1 14 15 2 14 33 1 15 42 1 16 22 1 16 32 2 17 31 1 17 33 2 18 19 2 18 20 1 19 25 1 20 36 2 21 25 2 21 36 1 22 24 1 23 26 1 23 33 1 24 43 1 26 31 1 27 30 1 27 38 1 28 34 1 40 28 -2 29 35 1 39 29 -1 32 44 1 34 36 1 35 38 1 37 38 1 39 40 1 39 41 1 40 44 1 41 42 1 42 43 1 43 44 1', 'C33H41NO9', 595.362, 'C', 'cpb08_207_4', 3706, '', '', '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
(14531, 'Viteagnusin A', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[H][C@:10]12[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:19])([CH3:18])[C:5]1=[CH:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15]', '[H][C@]12CC[C@H](OC(C)=O)[C@@](C)(C)C1=CC[C@@H](C)[C@@]2(C)CCC(C)(O)C=C', '[H][C@:40]12[CH2:9999][CH2:28][C@H:80](O[C:171]([CH3:21])=O)[C@@:41]([CH3:21])([CH3:25])[C:144]1=[CH:118][CH2:31][C@@H:33]([CH3:15])[C@@:36]2([CH3:22])[CH2:30][CH2:36][C:74]([CH3:28])(O)[CH:145]=[CH2:112]', '26 27 H 18.42 -12.07 C:15 19.65 -6.61 C:3002 12.37 -15.23 C:17 22.14 -12.32 C:16 17.18 -8.01 C:19 16.23 -16.21 C:18 18.13 -16.21 C:20 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C:14 19.65 -8.01 C:6 19.65 -15.18 C:7 20.89 -14.46 C:2 15.95 -13.01 C:1 17.18 -12.32 C:12 18.42 -10.10 C:11 19.65 -10.88 O 14.76 -15.18 C:3001 13.56 -14.52 C:5 18.42 -14.46 C:8 20.89 -13.01 C:3 15.95 -14.46 C:13 18.42 -8.71 C:4 17.18 -15.18 C:10 18.42 -13.01 C:9 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 27 H 18.42 -12.07 C 19.65 -6.61 C 12.37 -15.23 C 22.14 -12.32 C 17.18 -8.01 C 16.23 -16.21 C 18.13 -16.21 C 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C 19.65 -8.01 C 19.65 -15.18 C 20.89 -14.46 C 15.95 -13.01 C 17.18 -12.32 C 18.42 -10.10 C 19.65 -10.88 O 14.76 -15.18 C 13.56 -14.52 C 18.42 -14.46 C 20.89 -13.01 C 15.95 -14.46 C 18.42 -8.71 C 17.18 -15.18 C 18.42 -13.01 C 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 27 H 18.42 -12.07 C:112 19.65 -6.61 C:21 12.37 -15.23 C:15 22.14 -12.32 C:28 17.18 -8.01 C:21 16.23 -16.21 C:25 18.13 -16.21 C:22 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C:145 19.65 -8.01 C:118 19.65 -15.18 C:31 20.89 -14.46 C:28 15.95 -13.01 C 17.18 -12.32 C:36 18.42 -10.10 C:30 19.65 -10.88 O 14.76 -15.18 C:171 13.56 -14.52 C:144 18.42 -14.46 C:33 20.89 -13.01 C:80 15.95 -14.46 C:74 18.42 -8.71 C:41 17.18 -15.18 C:40 18.42 -13.01 C:36 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', 'C22H36O3', 348.242, 'C', 'cpb08_1621_1', 3707, '', '', '1', 47, NULL, NULL),
(14532, 'Viteagnusin A', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[H][C@:10]12[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:19])([CH3:18])[C:5]1=[CH:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15]', '[H][C@]12CC[C@H](OC(C)=O)[C@@](C)(C)C1=CC[C@@H](C)[C@@]2(C)CCC(C)(O)C=C', '[H][C@:40]12[CH2:9999][CH2:28][C@H:80](O[C:171]([CH3:21])=O)[C@@:41]([CH3:21])([CH3:25])[C:145]1=[CH:118][CH2:31][C@@H:33]([CH3:15])[C@@:36]2([CH3:23])[CH2:30][CH2:37][C:73]([CH3:29])(O)[CH:148]=[CH2:111]', '26 27 H 18.42 -12.07 C:15 19.65 -6.61 C:3002 12.37 -15.23 C:17 22.14 -12.32 C:16 17.18 -8.01 C:19 16.23 -16.21 C:18 18.13 -16.21 C:20 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C:14 19.65 -8.01 C:6 19.65 -15.18 C:7 20.89 -14.46 C:2 15.95 -13.01 C:1 17.18 -12.32 C:12 18.42 -10.10 C:11 19.65 -10.88 O 14.76 -15.18 C:3001 13.56 -14.52 C:5 18.42 -14.46 C:8 20.89 -13.01 C:3 15.95 -14.46 C:13 18.42 -8.71 C:4 17.18 -15.18 C:10 18.42 -13.01 C:9 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 27 H 18.42 -12.07 C 19.65 -6.61 C 12.37 -15.23 C 22.14 -12.32 C 17.18 -8.01 C 16.23 -16.21 C 18.13 -16.21 C 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C 19.65 -8.01 C 19.65 -15.18 C 20.89 -14.46 C 15.95 -13.01 C 17.18 -12.32 C 18.42 -10.10 C 19.65 -10.88 O 14.76 -15.18 C 13.56 -14.52 C 18.42 -14.46 C 20.89 -13.01 C 15.95 -14.46 C 18.42 -8.71 C 17.18 -15.18 C 18.42 -13.01 C 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 27 H 18.42 -12.07 C:111 19.65 -6.61 C:21 12.37 -15.23 C:15 22.14 -12.32 C:29 17.18 -8.01 C:21 16.23 -16.21 C:25 18.13 -16.21 C:23 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C:148 19.65 -8.01 C:118 19.65 -15.18 C:31 20.89 -14.46 C:28 15.95 -13.01 C 17.18 -12.32 C:37 18.42 -10.10 C:30 19.65 -10.88 O 14.76 -15.18 C:171 13.56 -14.52 C:145 18.42 -14.46 C:33 20.89 -13.01 C:80 15.95 -14.46 C:73 18.42 -8.71 C:41 17.18 -15.18 C:40 18.42 -13.01 C:36 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', 'C22H36O3', 348.242, 'P', 'cpb08_1621_1', 3707, '', '', '1', 47, NULL, NULL),
(14533, 'Viteagnusin A', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[H][C@:10]12[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:19])([CH3:18])[C:5]1=[CH:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15]', '[H][C@]12CC[C@H](OC(C)=O)[C@@](C)(C)C1=CC[C@@H](C)[C@@]2(C)CCC(C)(O)C=C', '[H][C@:41]12[CH2:9999][CH2:29][C@H:81](O[C:173]([CH3:21])=O)[C@@:42]([CH3:22])([CH3:25])[C:146]1=[CH:119][CH2:32][C@@H:34]([CH3:15])[C@@:37]2([CH3:23])[CH2:31][CH2:37][C:74]([CH3:28])(O)[CH:146]=[CH2:112]', '26 27 H 18.42 -12.07 C:15 19.65 -6.61 C:3002 12.37 -15.23 C:17 22.14 -12.32 C:16 17.18 -8.01 C:19 16.23 -16.21 C:18 18.13 -16.21 C:20 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C:14 19.65 -8.01 C:6 19.65 -15.18 C:7 20.89 -14.46 C:2 15.95 -13.01 C:1 17.18 -12.32 C:12 18.42 -10.10 C:11 19.65 -10.88 O 14.76 -15.18 C:3001 13.56 -14.52 C:5 18.42 -14.46 C:8 20.89 -13.01 C:3 15.95 -14.46 C:13 18.42 -8.71 C:4 17.18 -15.18 C:10 18.42 -13.01 C:9 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 27 H 18.42 -12.07 C 19.65 -6.61 C 12.37 -15.23 C 22.14 -12.32 C 17.18 -8.01 C 16.23 -16.21 C 18.13 -16.21 C 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C 19.65 -8.01 C 19.65 -15.18 C 20.89 -14.46 C 15.95 -13.01 C 17.18 -12.32 C 18.42 -10.10 C 19.65 -10.88 O 14.76 -15.18 C 13.56 -14.52 C 18.42 -14.46 C 20.89 -13.01 C 15.95 -14.46 C 18.42 -8.71 C 17.18 -15.18 C 18.42 -13.01 C 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 27 H 18.42 -12.07 C:112 19.65 -6.61 C:21 12.37 -15.23 C:15 22.14 -12.32 C:28 17.18 -8.01 C:22 16.23 -16.21 C:25 18.13 -16.21 C:23 20.77 -11.42 O 13.56 -13.12 O 18.42 -7.32 C:146 19.65 -8.01 C:119 19.65 -15.18 C:32 20.89 -14.46 C:29 15.95 -13.01 C 17.18 -12.32 C:37 18.42 -10.10 C:31 19.65 -10.88 O 14.76 -15.18 C:173 13.56 -14.52 C:146 18.42 -14.46 C:34 20.89 -13.01 C:81 15.95 -14.46 C:74 18.42 -8.71 C:42 17.18 -15.18 C:41 18.42 -13.01 C:37 19.65 -12.32 25 1 -1 2 11 2 3 19 1 21 4 -2 5 23 1 24 6 -1 24 7 -2 26 8 -1 9 19 2 10 23 1 11 23 1 12 13 1 12 20 2 13 21 1 14 15 1 14 22 1 15 25 1 16 17 1 16 23 1 17 26 1 18 19 1 22 18 -1 20 24 1 20 25 1 21 26 1 22 24 1 25 26 1', 'C22H36O3', 348.242, 'M', 'cpb08_1621_1', 3707, '', '', '1', 47, NULL, NULL),
(14534, 'Viteagnusin B', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH2:15]=[CH:14][C:13]([CH3:16])(O)[CH2:12][CH2:11][C@@:9]1([CH3:20])[C:10]2=[C:5]([CH2:6][CH2:7][C@H:8]1[CH3:17])[C@@:4]([CH3:18])([CH3:19])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1]2', 'C=CC(C)(O)CC[C@@]1(C)C2=C(CC[C@H]1C)[C@@](C)(C)[C@@H](OC(C)=O)CC2', '[CH2:112]=[CH:145][C:73]([CH3:28])(O)[CH2:39][CH2:29][C@@:40]1([CH3:27])[C:132]2=[C:135]([CH2:24][CH2:28][C@H:38]1[CH3:17])[C@@:39]([CH3:25])([CH3:22])[C@@H:78](O[C:171]([CH3:21])=O)[CH2:24][CH2:23]2', '25 26 C:15 19.63 -6.70 C:3002 12.44 -15.21 C:17 22.09 -12.34 C:16 17.19 -8.08 C:18 18.13 -16.18 C:19 16.25 -16.18 C:20 20.74 -11.45 O 13.62 -13.13 O 18.42 -7.40 C:14 19.63 -8.08 C:6 19.63 -15.16 C:1 17.19 -12.34 C:7 20.86 -14.45 C:2 15.98 -13.02 C:12 18.42 -10.14 C:11 19.63 -10.91 O 14.80 -15.16 C:3001 13.62 -14.51 C:5 18.42 -14.45 C:10 18.42 -13.02 C:8 20.86 -13.02 C:3 15.98 -14.45 C:13 18.42 -8.77 C:4 17.19 -15.16 C:9 19.63 -12.34 1 10 2 2 18 1 21 3 -2 4 23 1 24 5 -2 24 6 -1 25 7 -1 8 18 2 9 23 1 10 23 1 11 13 1 11 19 1 12 14 1 12 20 1 13 21 1 14 22 1 15 16 1 15 23 1 16 25 1 17 18 1 22 17 -1 19 20 2 19 24 1 20 25 1 21 25 1 22 24 1', '25 26 C 19.63 -6.70 C 12.44 -15.21 C 22.09 -12.34 C 17.19 -8.08 C 18.13 -16.18 C 16.25 -16.18 C 20.74 -11.45 O 13.62 -13.13 O 18.42 -7.40 C 19.63 -8.08 C 19.63 -15.16 C 17.19 -12.34 C 20.86 -14.45 C 15.98 -13.02 C 18.42 -10.14 C 19.63 -10.91 O 14.80 -15.16 C 13.62 -14.51 C 18.42 -14.45 C 18.42 -13.02 C 20.86 -13.02 C 15.98 -14.45 C 18.42 -8.77 C 17.19 -15.16 C 19.63 -12.34 1 10 2 2 18 1 21 3 -2 4 23 1 24 5 -2 24 6 -1 25 7 -1 8 18 2 9 23 1 10 23 1 11 13 1 11 19 1 12 14 1 12 20 1 13 21 1 14 22 1 15 16 1 15 23 1 16 25 1 17 18 1 22 17 -1 19 20 2 19 24 1 20 25 1 21 25 1 22 24 1', '25 26 C:112 19.63 -6.70 C:21 12.44 -15.21 C:17 22.09 -12.34 C:28 17.19 -8.08 C:25 18.13 -16.18 C:22 16.25 -16.18 C:27 20.74 -11.45 O 13.62 -13.13 O 18.42 -7.40 C:145 19.63 -8.08 C:24 19.63 -15.16 C:23 17.19 -12.34 C:28 20.86 -14.45 C:24 15.98 -13.02 C:39 18.42 -10.14 C:29 19.63 -10.91 O 14.80 -15.16 C:171 13.62 -14.51 C:135 18.42 -14.45 C:132 18.42 -13.02 C:38 20.86 -13.02 C:78 15.98 -14.45 C:73 18.42 -8.77 C:39 17.19 -15.16 C:40 19.63 -12.34 1 10 2 2 18 1 21 3 -2 4 23 1 24 5 -2 24 6 -1 25 7 -1 8 18 2 9 23 1 10 23 1 11 13 1 11 19 1 12 14 1 12 20 1 13 21 1 14 22 1 15 16 1 15 23 1 16 25 1 17 18 1 22 17 -1 19 20 2 19 24 1 20 25 1 21 25 1 22 24 1', 'C22H36O3', 348.234, 'C', 'cpb08_1621_2', 3707, '', '', '1', 47, NULL, NULL),
(14535, 'Viteagnusin C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC[C@@](C)(O)[C@@H](CCC(C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:46]12[CH2:21][CH2:38][C@@:74]([CH3:32])(O)[C@@H:61]([CH2:21][CH2:45][C:74]([CH3:28])(O)[CH:146]=[CH2:111])[C@@:39]1([CH3:25])[CH2:37][CH2:19][CH2:42][C@:33]2([CH3:33])[CH3:21]', '23 24 H 16.52 -15.40 C:15 20.20 -6.62 C:16 17.75 -8.03 C:18 16.24 -16.20 C:19 14.34 -16.20 C:17 19.69 -11.80 C:20 16.52 -11.58 O 18.98 -7.34 O 20.38 -13.02 C:14 20.20 -8.03 C:2 14.06 -13.02 C:11 17.75 -10.85 C:3 14.06 -14.45 C:12 18.98 -10.15 C:1 15.29 -12.30 C:7 18.98 -14.45 C:6 17.75 -15.16 C:9 17.75 -12.30 C:13 18.98 -8.74 C:4 15.29 -15.16 C:8 18.98 -13.02 C:5 16.52 -14.45 C:10 16.52 -13.02 22 1 -2 2 10 2 3 19 1 20 4 -2 20 5 -1 21 6 -1 23 7 -1 8 19 1 21 9 -2 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', '23 24 H 16.52 -15.40 C 20.20 -6.62 C 17.75 -8.03 C 16.24 -16.20 C 14.34 -16.20 C 19.69 -11.80 C 16.52 -11.58 O 18.98 -7.34 O 20.38 -13.02 C 20.20 -8.03 C 14.06 -13.02 C 17.75 -10.85 C 14.06 -14.45 C 18.98 -10.15 C 15.29 -12.30 C 18.98 -14.45 C 17.75 -15.16 C 17.75 -12.30 C 18.98 -8.74 C 15.29 -15.16 C 18.98 -13.02 C 16.52 -14.45 C 16.52 -13.02 22 1 -2 2 10 2 3 19 1 20 4 -2 20 5 -1 21 6 -1 23 7 -1 8 19 1 21 9 -2 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', '23 24 H 16.52 -15.40 C:111 20.20 -6.62 C:28 17.75 -8.03 C:33 16.24 -16.20 C:21 14.34 -16.20 C:32 19.69 -11.80 C:25 16.52 -11.58 O 18.98 -7.34 O 20.38 -13.02 C:146 20.20 -8.03 C:19 14.06 -13.02 C:21 17.75 -10.85 C:42 14.06 -14.45 C:45 18.98 -10.15 C:37 15.29 -12.30 C:38 18.98 -14.45 C:21 17.75 -15.16 C:61 17.75 -12.30 C:74 18.98 -8.74 C:33 15.29 -15.16 C:74 18.98 -13.02 C:46 16.52 -14.45 C:39 16.52 -13.02 22 1 -2 2 10 2 3 19 1 20 4 -2 20 5 -1 21 6 -1 23 7 -1 8 19 1 21 9 -2 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', 'C20H36O2', 308.221, 'C', 'cpb08_1621_3', 3707, '', '', '1', 47, NULL, NULL),
(14536, 'Viteagnusin C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC[C@@](C)(O)[C@@H](CCC(C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:47]12[CH2:21][CH2:38][C@@:73]([CH3:33])(O)[C@@H:62]([CH2:22][CH2:47][C:73]([CH3:29])(O)[CH:148]=[CH2:111])[C@@:39]1([CH3:25])[CH2:37][CH2:19][CH2:43][C@:33]2([CH3:33])[CH3:22]', '23 24 H 16.52 -15.40 C:15 20.20 -6.62 C:16 17.75 -8.03 C:18 16.24 -16.20 C:19 14.34 -16.20 C:17 19.69 -11.80 C:20 16.52 -11.58 O 18.98 -7.34 O 20.38 -13.02 C:14 20.20 -8.03 C:2 14.06 -13.02 C:11 17.75 -10.85 C:3 14.06 -14.45 C:12 18.98 -10.15 C:1 15.29 -12.30 C:7 18.98 -14.45 C:6 17.75 -15.16 C:9 17.75 -12.30 C:13 18.98 -8.74 C:4 15.29 -15.16 C:8 18.98 -13.02 C:5 16.52 -14.45 C:10 16.52 -13.02 22 1 -2 2 10 2 3 19 1 20 4 -2 20 5 -1 21 6 -1 23 7 -1 8 19 1 21 9 -2 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', '23 24 H 16.52 -15.40 C 20.20 -6.62 C 17.75 -8.03 C 16.24 -16.20 C 14.34 -16.20 C 19.69 -11.80 C 16.52 -11.58 O 18.98 -7.34 O 20.38 -13.02 C 20.20 -8.03 C 14.06 -13.02 C 17.75 -10.85 C 14.06 -14.45 C 18.98 -10.15 C 15.29 -12.30 C 18.98 -14.45 C 17.75 -15.16 C 17.75 -12.30 C 18.98 -8.74 C 15.29 -15.16 C 18.98 -13.02 C 16.52 -14.45 C 16.52 -13.02 22 1 -2 2 10 2 3 19 1 20 4 -2 20 5 -1 21 6 -1 23 7 -1 8 19 1 21 9 -2 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', '23 24 H 16.52 -15.40 C:111 20.20 -6.62 C:29 17.75 -8.03 C:33 16.24 -16.20 C:22 14.34 -16.20 C:33 19.69 -11.80 C:25 16.52 -11.58 O 18.98 -7.34 O 20.38 -13.02 C:148 20.20 -8.03 C:19 14.06 -13.02 C:22 17.75 -10.85 C:43 14.06 -14.45 C:47 18.98 -10.15 C:37 15.29 -12.30 C:38 18.98 -14.45 C:21 17.75 -15.16 C:62 17.75 -12.30 C:73 18.98 -8.74 C:33 15.29 -15.16 C:73 18.98 -13.02 C:47 16.52 -14.45 C:39 16.52 -13.02 22 1 -2 2 10 2 3 19 1 20 4 -2 20 5 -1 21 6 -1 23 7 -1 8 19 1 21 9 -2 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', 'C20H36O2', 308.221, 'P', 'cpb08_1621_3', 3707, '', '', '1', 47, NULL, NULL),
(14537, 'Viteagnusin D', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9](O)([CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC[C@@H](C)[C@](O)(CCC(C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:46]12[CH2:22][CH2:32][C@@H:37]([CH3:17])[C@:77](O)([CH2:28][CH2:38][C:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:44]1([CH3:16])[CH2:32][CH2:19][CH2:42][C@:33]2([CH3:34])[CH3:22]', '23 24 H 16.62 -15.39 C:15 20.31 -6.66 C:17 20.31 -12.30 C:16 17.84 -8.05 C:18 16.35 -16.19 C:19 14.45 -16.19 C:20 16.62 -11.59 O 19.09 -7.36 O 19.09 -11.59 C:14 20.31 -8.05 C:2 14.18 -13.02 C:7 19.09 -14.44 C:3 14.18 -14.44 C:12 19.09 -10.18 C:1 15.40 -12.30 C:6 17.84 -15.15 C:11 17.84 -10.87 C:8 19.09 -13.02 C:13 19.09 -8.76 C:4 15.40 -15.15 C:5 16.62 -14.44 C:10 16.62 -13.02 C:9 17.84 -12.30 21 1 -2 2 10 2 18 3 -2 4 19 1 20 5 -2 20 6 -1 22 7 -1 8 19 1 23 9 -2 10 19 1 11 13 1 11 15 1 12 16 1 12 18 1 13 20 1 14 17 1 14 19 1 15 22 1 16 21 1 23 17 -1 18 23 1 20 21 1 21 22 1 22 23 1', '23 24 H 16.62 -15.39 C 20.31 -6.66 C 20.31 -12.30 C 17.84 -8.05 C 16.35 -16.19 C 14.45 -16.19 C 16.62 -11.59 O 19.09 -7.36 O 19.09 -11.59 C 20.31 -8.05 C 14.18 -13.02 C 19.09 -14.44 C 14.18 -14.44 C 19.09 -10.18 C 15.40 -12.30 C 17.84 -15.15 C 17.84 -10.87 C 19.09 -13.02 C 19.09 -8.76 C 15.40 -15.15 C 16.62 -14.44 C 16.62 -13.02 C 17.84 -12.30 21 1 -2 2 10 2 18 3 -2 4 19 1 20 5 -2 20 6 -1 22 7 -1 8 19 1 23 9 -2 10 19 1 11 13 1 11 15 1 12 16 1 12 18 1 13 20 1 14 17 1 14 19 1 15 22 1 16 21 1 23 17 -1 18 23 1 20 21 1 21 22 1 22 23 1', '23 24 H 16.62 -15.39 C:112 20.31 -6.66 C:17 20.31 -12.30 C:28 17.84 -8.05 C:34 16.35 -16.19 C:22 14.45 -16.19 C:16 16.62 -11.59 O 19.09 -7.36 O 19.09 -11.59 C:145 20.31 -8.05 C:19 14.18 -13.02 C:32 19.09 -14.44 C:42 14.18 -14.44 C:38 19.09 -10.18 C:32 15.40 -12.30 C:22 17.84 -15.15 C:28 17.84 -10.87 C:37 19.09 -13.02 C:74 19.09 -8.76 C:33 15.40 -15.15 C:46 16.62 -14.44 C:44 16.62 -13.02 C:77 17.84 -12.30 21 1 -2 2 10 2 18 3 -2 4 19 1 20 5 -2 20 6 -1 22 7 -1 8 19 1 23 9 -2 10 19 1 11 13 1 11 15 1 12 16 1 12 18 1 13 20 1 14 17 1 14 19 1 15 22 1 16 21 1 23 17 -1 18 23 1 20 21 1 21 22 1 22 23 1', 'C20H36O2', 308.221, 'C', 'cpb08_1621_4', 3707, '', '', '1', 47, NULL, NULL),
(14538, 'Viteagnusin E', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@@:13]1([CH2:14][C:15](=O)O[C@H:16]1O[CH2:16001][CH2:16002][CH2:16003][CH3:16004])O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@H](OC(C)=O)C[C@@H](C)[C@]2(CC[C@@]1(CC(=O)O[C@H]1OCCCC)O2)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:49]34[C@H:71](O[C:170]([CH3:22])=O)[CH2:36][C@@H:32]([CH3:17])[C@:95]2([CH2:29][CH2:37][C@@:86]1([CH2:39][C:174](=O)O[C@H:107]1O[CH2:70][CH2:32][CH2:19][CH3:14])O2)[C@@:43]3([CH3:20])[CH2:33][CH2:19][CH2:44][C@@:34]4([CH3:24])[CH3:33]', '33 36 H 15.54 -15.49 C:16004 14.28 -4.08 C:6002 18.01 -18.74 C:17 19.31 -12.37 C:19 13.31 -16.30 C:18 15.26 -16.30 C:20 14.92 -11.85 O 19.22 -16.64 O 21.43 -9.64 C:16003 15.47 -4.78 C:16002 15.47 -6.18 C:2 13.03 -13.11 C:16001 16.66 -6.89 C:3 13.03 -14.51 C:1 14.28 -12.37 C:12 16.66 -10.08 C:11 15.93 -11.42 C:14 19.31 -10.83 C:7 18.07 -14.51 O 16.66 -8.29 O 16.80 -16.64 O 19.15 -8.56 O 18.07 -11.71 C:6001 18.01 -17.34 C:15 20.03 -9.64 C:8 18.07 -13.11 C:6 16.80 -15.24 C:16 17.83 -9.06 C:4 14.28 -15.24 C:10 15.54 -13.11 C:13 17.90 -10.47 C:5 15.54 -14.51 C:9 16.80 -12.37 32 1 -2 2 10 1 3 24 1 26 4 -2 29 5 -1 29 6 -2 30 7 -1 8 24 2 9 25 2 10 11 1 11 13 1 12 14 1 12 15 1 13 20 1 14 29 1 15 30 1 16 17 1 16 31 1 33 17 -1 18 25 1 31 18 -1 19 26 1 19 27 1 28 20 -2 21 24 1 27 21 -1 22 25 1 22 28 1 23 31 1 33 23 -2 26 33 1 27 32 1 28 31 1 29 32 1 30 32 1 30 33 1', '33 36 H 15.54 -15.49 C 14.28 -4.08 C 18.01 -18.74 C 19.31 -12.37 C 13.31 -16.30 C 15.26 -16.30 C 14.92 -11.85 O 19.22 -16.64 O 21.43 -9.64 C 15.47 -4.78 C 15.47 -6.18 C 13.03 -13.11 C 16.66 -6.89 C 13.03 -14.51 C 14.28 -12.37 C 16.66 -10.08 C 15.93 -11.42 C 19.31 -10.83 C 18.07 -14.51 O 16.66 -8.29 O 16.80 -16.64 O 19.15 -8.56 O 18.07 -11.71 C 18.01 -17.34 C 20.03 -9.64 C 18.07 -13.11 C 16.80 -15.24 C 17.83 -9.06 C 14.28 -15.24 C 15.54 -13.11 C 17.90 -10.47 C 15.54 -14.51 C 16.80 -12.37 32 1 -2 2 10 1 3 24 1 26 4 -2 29 5 -1 29 6 -2 30 7 -1 8 24 2 9 25 2 10 11 1 11 13 1 12 14 1 12 15 1 13 20 1 14 29 1 15 30 1 16 17 1 16 31 1 33 17 -1 18 25 1 31 18 -1 19 26 1 19 27 1 28 20 -2 21 24 1 27 21 -1 22 25 1 22 28 1 23 31 1 33 23 -2 26 33 1 27 32 1 28 31 1 29 32 1 30 32 1 30 33 1', '33 36 H 15.54 -15.49 C:14 14.28 -4.08 C:22 18.01 -18.74 C:17 19.31 -12.37 C:24 13.31 -16.30 C:33 15.26 -16.30 C:20 14.92 -11.85 O 19.22 -16.64 O 21.43 -9.64 C:19 15.47 -4.78 C:32 15.47 -6.18 C:19 13.03 -13.11 C:70 16.66 -6.89 C:44 13.03 -14.51 C:33 14.28 -12.37 C:37 16.66 -10.08 C:29 15.93 -11.42 C:39 19.31 -10.83 C:36 18.07 -14.51 O 16.66 -8.29 O 16.80 -16.64 O 19.15 -8.56 O 18.07 -11.71 C:170 18.01 -17.34 C:174 20.03 -9.64 C:32 18.07 -13.11 C:71 16.80 -15.24 C:107 17.83 -9.06 C:34 14.28 -15.24 C:43 15.54 -13.11 C:86 17.90 -10.47 C:49 15.54 -14.51 C:95 16.80 -12.37 32 1 -2 2 10 1 3 24 1 26 4 -2 29 5 -1 29 6 -2 30 7 -1 8 24 2 9 25 2 10 11 1 11 13 1 12 14 1 12 15 1 13 20 1 14 29 1 15 30 1 16 17 1 16 31 1 33 17 -1 18 25 1 31 18 -1 19 26 1 19 27 1 28 20 -2 21 24 1 27 21 -1 22 25 1 22 28 1 23 31 1 33 23 -2 26 33 1 27 32 1 28 31 1 29 32 1 30 32 1 30 33 1', 'C26H42O6', 450.283, 'C', 'cpb08_1621_5', 3707, '', '', '1', 47, NULL, NULL),
(14539, 'Bafoudiosbulbin C', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:2]26[CH:3]=[C:4]([C:18](=O)O[CH3:18001])[C@:5]15[CH2:6][CH2:7][C@@:8]4(O[CH:19]1O2)[C:17](=O)O[C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)[CH2:11][C@@:9]4([CH3:20])[C@:10]5([H])[CH2:1]6', '[H][C@@]26C=C(C(=O)OC)[C@]15CC[C@@]4(OC1O2)C(=O)O[C@H](c3ccoc3)C[C@@]4(C)[C@]5([H])C6', '[H][C@@:68]26[CH:144]=[C:136]([C:167](=O)O[CH3:53])[C@:45]15[CH2:28][CH2:30][C@@:77]4(O[CH:101]1O2)[C:175](=O)O[C@H:73]([c:127]3[cH:110][cH:145]o[cH:142]3)[CH2:36][C@@:42]4([CH3:18])[C@:39]5([H])[CH2:29]6', '30 35 H 13.29 -11.19 H 16.23 -10.77 C:18001 16.23 -17.45 C:20 17.50 -12.47 O 13.83 -16.00 O 21.17 -11.78 C:3 13.83 -13.21 C:15 19.48 -5.38 C:14 19.95 -6.70 C:16 17.68 -6.70 C:7 18.72 -13.21 C:6 17.50 -13.93 C:11 17.50 -9.64 C:1 15.03 -11.07 O 16.23 -16.00 O 19.95 -9.64 O 14.78 -12.80 O 17.68 -13.00 O 18.08 -5.38 C:18 15.03 -15.31 C:17 19.95 -11.07 C:4 15.03 -13.93 C:13 18.72 -7.52 C:12 18.72 -8.95 C:19 15.40 -12.18 C:2 13.83 -11.78 C:10 16.23 -11.78 C:9 17.50 -11.07 C:8 18.72 -11.78 C:5 16.29 -13.21 26 1 -2 27 2 -2 3 15 1 28 4 -1 5 20 2 6 21 2 7 22 2 7 26 1 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 12 1 11 29 1 12 30 1 13 24 1 13 28 1 14 26 1 14 27 1 15 20 1 16 21 1 16 24 1 17 25 1 17 26 1 18 25 1 29 18 -1 20 22 1 21 29 1 22 30 1 24 23 -1 30 25 -1 27 28 1 27 30 1 28 29 1', '30 35 H 13.29 -11.19 H 16.23 -10.77 C 16.23 -17.45 C 17.50 -12.47 O 13.83 -16.00 O 21.17 -11.78 C 13.83 -13.21 C 19.48 -5.38 C 19.95 -6.70 C 17.68 -6.70 C 18.72 -13.21 C 17.50 -13.93 C 17.50 -9.64 C 15.03 -11.07 O 16.23 -16.00 O 19.95 -9.64 O 14.78 -12.80 O 17.68 -13.00 O 18.08 -5.38 C 15.03 -15.31 C 19.95 -11.07 C 15.03 -13.93 C 18.72 -7.52 C 18.72 -8.95 C 15.40 -12.18 C 13.83 -11.78 C 16.23 -11.78 C 17.50 -11.07 C 18.72 -11.78 C 16.29 -13.21 26 1 -2 27 2 -2 3 15 1 28 4 -1 5 20 2 6 21 2 7 22 2 7 26 1 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 12 1 11 29 1 12 30 1 13 24 1 13 28 1 14 26 1 14 27 1 15 20 1 16 21 1 16 24 1 17 25 1 17 26 1 18 25 1 29 18 -1 20 22 1 21 29 1 22 30 1 24 23 -1 30 25 -1 27 28 1 27 30 1 28 29 1', '30 35 H 13.29 -11.19 H 16.23 -10.77 C:53 16.23 -17.45 C:18 17.50 -12.47 O 13.83 -16.00 O 21.17 -11.78 C:144 13.83 -13.21 C:145 19.48 -5.38 C:110 19.95 -6.70 C:142 17.68 -6.70 C:30 18.72 -13.21 C:28 17.50 -13.93 C:36 17.50 -9.64 C:29 15.03 -11.07 O 16.23 -16.00 O 19.95 -9.64 O 14.78 -12.80 O 17.68 -13.00 O 18.08 -5.38 C:167 15.03 -15.31 C:175 19.95 -11.07 C:136 15.03 -13.93 C:127 18.72 -7.52 C:73 18.72 -8.95 C:101 15.40 -12.18 C:68 13.83 -11.78 C:39 16.23 -11.78 C:42 17.50 -11.07 C:77 18.72 -11.78 C:45 16.29 -13.21 26 1 -2 27 2 -2 3 15 1 28 4 -1 5 20 2 6 21 2 7 22 2 7 26 1 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 12 1 11 29 1 12 30 1 13 24 1 13 28 1 14 26 1 14 27 1 15 20 1 16 21 1 16 24 1 17 25 1 17 26 1 18 25 1 29 18 -1 20 22 1 21 29 1 22 30 1 24 23 -1 30 25 -1 27 28 1 27 30 1 28 29 1', 'C21H22O7', 386.236, 'M', 'hca07_1599_1', 3708, '', '', '1', 47, NULL, NULL),
(14540, 'Bafoudiosbulbin D', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:2]15[CH2:3][C@H:4]([C:18](=O)O[CH3:18001])[C@@:5]4([C:19](=O)O1)[C@H:6]6[CH2:7][C@:8]3(O[C@@H:12]([c:13]2[cH:14][cH:15]o[cH:16]2)[CH2:11][C@@:9]3([CH3:20])[C@:10]4([H])[CH2:1]5)[C:17](=O)O6', '[H][C@@]15C[C@H](C(=O)OC)[C@@]4(C(=O)O1)[C@H]6C[C@]3(O[C@@H](c2ccoc2)C[C@@]3(C)[C@]4([H])C5)C(=O)O6', '[H][C@@:74]15[CH2:30][C@H:42]([C:172](=O)O[CH3:53])[C@@:47]4([C:172](=O)O1)[C@H:75]6[CH2:33][C@:88]3(O[C@@H:75]([c:125]2[cH:110][cH:143]o[cH:142]2)[CH2:43][C@@:46]3([CH3:18])[C@:40]4([H])[CH2:27]5)[C:176](=O)O6', '31 36 H 12.79 -11.25 H 16.20 -10.44 C:18001 16.20 -17.25 C:20 17.45 -12.12 O 13.71 -15.83 O 21.17 -11.71 O 14.51 -12.68 C:15 21.74 -6.28 C:14 21.43 -7.74 C:16 19.36 -6.53 C:11 17.76 -9.33 C:3 13.71 -12.92 C:7 18.73 -12.92 C:1 14.95 -10.73 O 16.20 -15.83 O 19.06 -13.96 O 15.10 -11.47 O 19.82 -10.50 O 20.46 -5.56 C:18 14.95 -15.10 C:17 19.91 -12.49 C:19 15.33 -12.49 C:13 19.91 -7.89 C:12 19.20 -9.18 C:6 17.45 -13.64 C:4 14.95 -13.64 C:2 13.71 -11.47 C:10 16.20 -11.47 C:9 17.45 -10.73 C:8 18.73 -11.47 C:5 16.20 -12.92 27 1 -2 28 2 -2 3 15 1 29 4 -1 5 20 2 6 21 2 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 24 1 11 29 1 12 26 1 12 27 1 13 25 1 13 30 1 14 27 1 14 28 1 15 20 1 16 21 1 25 16 -1 17 22 1 17 27 1 18 24 1 18 30 1 26 20 -1 30 21 -1 31 22 -1 24 23 -2 25 31 1 26 31 1 28 29 1 28 31 1 29 30 1', '31 36 H 12.79 -11.25 H 16.20 -10.44 C 16.20 -17.25 C 17.45 -12.12 O 13.71 -15.83 O 21.17 -11.71 O 14.51 -12.68 C 21.74 -6.28 C 21.43 -7.74 C 19.36 -6.53 C 17.76 -9.33 C 13.71 -12.92 C 18.73 -12.92 C 14.95 -10.73 O 16.20 -15.83 O 19.06 -13.96 O 15.10 -11.47 O 19.82 -10.50 O 20.46 -5.56 C 14.95 -15.10 C 19.91 -12.49 C 15.33 -12.49 C 19.91 -7.89 C 19.20 -9.18 C 17.45 -13.64 C 14.95 -13.64 C 13.71 -11.47 C 16.20 -11.47 C 17.45 -10.73 C 18.73 -11.47 C 16.20 -12.92 27 1 -2 28 2 -2 3 15 1 29 4 -1 5 20 2 6 21 2 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 24 1 11 29 1 12 26 1 12 27 1 13 25 1 13 30 1 14 27 1 14 28 1 15 20 1 16 21 1 25 16 -1 17 22 1 17 27 1 18 24 1 18 30 1 26 20 -1 30 21 -1 31 22 -1 24 23 -2 25 31 1 26 31 1 28 29 1 28 31 1 29 30 1', '31 36 H 12.79 -11.25 H 16.20 -10.44 C:53 16.20 -17.25 C:18 17.45 -12.12 O 13.71 -15.83 O 21.17 -11.71 O 14.51 -12.68 C:143 21.74 -6.28 C:110 21.43 -7.74 C:142 19.36 -6.53 C:43 17.76 -9.33 C:30 13.71 -12.92 C:33 18.73 -12.92 C:27 14.95 -10.73 O 16.20 -15.83 O 19.06 -13.96 O 15.10 -11.47 O 19.82 -10.50 O 20.46 -5.56 C:172 14.95 -15.10 C:176 19.91 -12.49 C:172 15.33 -12.49 C:125 19.91 -7.89 C:75 19.20 -9.18 C:75 17.45 -13.64 C:42 14.95 -13.64 C:74 13.71 -11.47 C:40 16.20 -11.47 C:46 17.45 -10.73 C:88 18.73 -11.47 C:47 16.20 -12.92 27 1 -2 28 2 -2 3 15 1 29 4 -1 5 20 2 6 21 2 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 24 1 11 29 1 12 26 1 12 27 1 13 25 1 13 30 1 14 27 1 14 28 1 15 20 1 16 21 1 25 16 -1 17 22 1 17 27 1 18 24 1 18 30 1 26 20 -1 30 21 -1 31 22 -1 24 23 -2 25 31 1 26 31 1 28 29 1 28 31 1 29 30 1', 'C21H22O8', 402.236, 'C', 'hca07_1599_2', 3708, '', '', '1', 47, NULL, NULL),
(14541, 'Bafoudiosbulbin E', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:2]56[CH2:1][C@@:10]4([H])[C@:9]2([CH3:20])[CH2:11][C@H:12]([c:13]1[cH:14][cH:15]o[cH:16]1)O[C@:8]23[CH2:7][C@@H:6](O[C:17]3=O)[C@:5]4([C:19](=O)O5)[C@:4]7([C:18](=O)O[CH3:18001])O[C@H:3]67', '[H][C@]56C[C@@]4([H])[C@]2(C)C[C@H](c1ccoc1)O[C@]23C[C@@H](OC3=O)[C@]4(C(=O)O5)[C@]7(C(=O)OC)O[C@H]67', '[H][C@:69]56[CH2:23][C@@:40]4([H])[C@:45]2([CH3:18])[CH2:43][C@H:75]([c:125]1[cH:110][cH:144]o[cH:141]1)O[C@:87]23[CH2:34][C@@H:73](O[C:176]3=O)[C@:51]4([C:165](=O)O5)[C@:53]7([C:166](=O)O[CH3:54])O[C@H:56]67', '32 38 H 12.80 -11.31 H 16.19 -10.49 C:18001 16.19 -17.29 C:20 17.44 -12.19 O 21.16 -11.78 O 13.72 -15.88 O 14.52 -12.75 C:15 21.73 -6.33 C:14 21.42 -7.77 C:16 19.35 -6.58 C:11 17.75 -9.38 C:7 18.72 -12.99 C:1 14.96 -10.78 O 16.19 -15.88 O 19.05 -14.03 O 15.10 -11.53 O 19.81 -10.55 O 13.72 -14.40 O 20.45 -5.61 C:17 19.90 -12.56 C:18 14.96 -15.16 C:19 15.33 -12.56 C:13 19.90 -7.93 C:12 19.19 -9.23 C:6 17.44 -13.71 C:3 13.72 -12.99 C:2 13.72 -11.53 C:10 16.19 -11.53 C:9 17.44 -10.78 C:8 18.72 -11.53 C:4 14.96 -13.71 C:5 16.19 -12.99 27 1 -2 28 2 -2 3 14 1 29 4 -1 5 20 2 6 21 2 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 24 1 11 29 1 12 25 1 12 30 1 13 27 1 13 28 1 14 21 1 15 20 1 25 15 -1 16 22 1 16 27 1 17 24 1 17 30 1 26 18 -2 18 31 1 30 20 -1 31 21 -1 32 22 -1 24 23 -2 25 32 1 26 27 1 26 31 1 28 29 1 28 32 1 29 30 1 31 32 1', '32 38 H 12.80 -11.31 H 16.19 -10.49 C 16.19 -17.29 C 17.44 -12.19 O 21.16 -11.78 O 13.72 -15.88 O 14.52 -12.75 C 21.73 -6.33 C 21.42 -7.77 C 19.35 -6.58 C 17.75 -9.38 C 18.72 -12.99 C 14.96 -10.78 O 16.19 -15.88 O 19.05 -14.03 O 15.10 -11.53 O 19.81 -10.55 O 13.72 -14.40 O 20.45 -5.61 C 19.90 -12.56 C 14.96 -15.16 C 15.33 -12.56 C 19.90 -7.93 C 19.19 -9.23 C 17.44 -13.71 C 13.72 -12.99 C 13.72 -11.53 C 16.19 -11.53 C 17.44 -10.78 C 18.72 -11.53 C 14.96 -13.71 C 16.19 -12.99 27 1 -2 28 2 -2 3 14 1 29 4 -1 5 20 2 6 21 2 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 24 1 11 29 1 12 25 1 12 30 1 13 27 1 13 28 1 14 21 1 15 20 1 25 15 -1 16 22 1 16 27 1 17 24 1 17 30 1 26 18 -2 18 31 1 30 20 -1 31 21 -1 32 22 -1 24 23 -2 25 32 1 26 27 1 26 31 1 28 29 1 28 32 1 29 30 1 31 32 1', '32 38 H 12.80 -11.31 H 16.19 -10.49 C:54 16.19 -17.29 C:18 17.44 -12.19 O 21.16 -11.78 O 13.72 -15.88 O 14.52 -12.75 C:144 21.73 -6.33 C:110 21.42 -7.77 C:141 19.35 -6.58 C:43 17.75 -9.38 C:34 18.72 -12.99 C:23 14.96 -10.78 O 16.19 -15.88 O 19.05 -14.03 O 15.10 -11.53 O 19.81 -10.55 O 13.72 -14.40 O 20.45 -5.61 C:176 19.90 -12.56 C:166 14.96 -15.16 C:165 15.33 -12.56 C:125 19.90 -7.93 C:75 19.19 -9.23 C:73 17.44 -13.71 C:56 13.72 -12.99 C:69 13.72 -11.53 C:40 16.19 -11.53 C:45 17.44 -10.78 C:87 18.72 -11.53 C:53 14.96 -13.71 C:51 16.19 -12.99 27 1 -2 28 2 -2 3 14 1 29 4 -1 5 20 2 6 21 2 7 22 2 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 24 1 11 29 1 12 25 1 12 30 1 13 27 1 13 28 1 14 21 1 15 20 1 25 15 -1 16 22 1 16 27 1 17 24 1 17 30 1 26 18 -2 18 31 1 30 20 -1 31 21 -1 32 22 -1 24 23 -2 25 32 1 26 27 1 26 31 1 28 29 1 28 32 1 29 30 1 31 32 1', 'C21H20O9', 416.235, 'C', 'hca07_1599_3', 3708, '', '', '1', 47, NULL, NULL),
(14542, '15-Epilupulin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:13]15[CH2:14][C@H:15](O[CH3:15001])O[C@@:16]1([H])O[C@:11]([H])([C@@:9]2([CH3:20])[C@H:8]([CH3:17])[CH2:7][C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]3([CH2:19]O[C:19001]([CH3:19002])=O)[C@:10]2([H])[CH2:1][C@@H:2](O)[C@H:3](O[C:3001](=O)[C@@H:3002]([CH3:3201])[CH2:3003][CH3:3004])[C@:4]34[CH2:18]O4)[CH2:12]5', '[H][C@]15C[C@H](OC)O[C@@]1([H])O[C@]([H])([C@@]2(C)[C@H](C)C[C@H](OC(C)=O)[C@]3(COC(C)=O)[C@]2([H])C[C@@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@]34CO4)C5', '[H][C@:40]15[CH2:38][C@H:105](O[CH3:55])O[C@@:107]1([H])O[C@:83]([H])([C@@:40]2([CH3:14])[C@H:36]([CH3:17])[CH2:33][C@H:71](O[C:170]([CH3:21])=O)[C@:46]3([CH2:62]O[C:170]([CH3:21])=O)[C@:44]2([H])[CH2:30][C@@H:72](O)[C@H:72](O[C:176](=O)[C@@H:41]([CH3:16])[CH2:27][CH3:11])[C@:63]34[CH2:43]O4)[CH2:33]5', '45 49 H 22.60 -8.18 H 20.08 -10.87 H 19.24 -8.18 H 19.68 -11.57 C:3004 11.11 -14.56 C:15001 22.14 -3.83 C:19002 18.50 -19.06 C:6002 22.14 -18.31 C:3201 13.54 -16.03 C:17 23.44 -11.86 C:20 22.01 -10.94 O 17.29 -16.98 O 23.36 -16.18 O 14.77 -12.57 O 15.96 -11.86 C:3003 12.34 -13.90 C:19 19.68 -15.57 C:18 18.50 -16.18 C:7 22.14 -14.04 C:14 22.14 -6.79 C:1 18.50 -11.86 C:12 22.14 -9.59 O 20.92 -4.52 O 19.68 -16.98 O 17.18 -15.47 O 20.92 -16.18 O 15.96 -14.71 O 19.68 -6.79 O 19.68 -9.59 C:19001 18.50 -17.66 C:6001 22.14 -16.90 C:3001 14.77 -13.97 C:3002 13.54 -14.63 C:8 22.14 -12.57 C:2 17.18 -12.57 C:15 20.92 -5.92 C:6 20.92 -14.77 C:3 17.18 -14.04 C:13 21.65 -8.18 C:11 20.92 -10.46 C:16 20.19 -8.18 C:10 19.68 -12.57 C:9 20.92 -11.86 C:4 18.50 -14.77 C:5 19.68 -14.04 39 1 -1 40 2 -2 41 3 -1 42 4 -1 5 16 1 6 23 1 7 30 1 8 31 1 33 9 -1 34 10 -2 43 11 -2 12 30 2 13 31 2 14 32 2 35 15 -2 16 33 1 17 24 1 45 17 -2 18 25 1 44 18 -1 19 34 1 19 37 1 20 36 1 20 39 1 21 35 1 21 42 1 22 39 1 22 40 1 36 23 -1 24 30 1 44 25 -2 26 31 1 37 26 -2 27 32 1 38 27 -1 28 36 1 28 41 1 29 40 1 29 41 1 32 33 1 34 43 1 35 38 1 37 45 1 38 44 1 39 41 1 40 43 1 42 43 1 42 45 1 44 45 1', '45 49 H 22.60 -8.18 H 20.08 -10.87 H 19.24 -8.18 H 19.68 -11.57 C 11.11 -14.56 C 22.14 -3.83 C 18.50 -19.06 C 22.14 -18.31 C 13.54 -16.03 C 23.44 -11.86 C 22.01 -10.94 O 17.29 -16.98 O 23.36 -16.18 O 14.77 -12.57 O 15.96 -11.86 C 12.34 -13.90 C 19.68 -15.57 C 18.50 -16.18 C 22.14 -14.04 C 22.14 -6.79 C 18.50 -11.86 C 22.14 -9.59 O 20.92 -4.52 O 19.68 -16.98 O 17.18 -15.47 O 20.92 -16.18 O 15.96 -14.71 O 19.68 -6.79 O 19.68 -9.59 C 18.50 -17.66 C 22.14 -16.90 C 14.77 -13.97 C 13.54 -14.63 C 22.14 -12.57 C 17.18 -12.57 C 20.92 -5.92 C 20.92 -14.77 C 17.18 -14.04 C 21.65 -8.18 C 20.92 -10.46 C 20.19 -8.18 C 19.68 -12.57 C 20.92 -11.86 C 18.50 -14.77 C 19.68 -14.04 39 1 -1 40 2 -2 41 3 -1 42 4 -1 5 16 1 6 23 1 7 30 1 8 31 1 33 9 -1 34 10 -2 43 11 -2 12 30 2 13 31 2 14 32 2 35 15 -2 16 33 1 17 24 1 45 17 -2 18 25 1 44 18 -1 19 34 1 19 37 1 20 36 1 20 39 1 21 35 1 21 42 1 22 39 1 22 40 1 36 23 -1 24 30 1 44 25 -2 26 31 1 37 26 -2 27 32 1 38 27 -1 28 36 1 28 41 1 29 40 1 29 41 1 32 33 1 34 43 1 35 38 1 37 45 1 38 44 1 39 41 1 40 43 1 42 43 1 42 45 1 44 45 1', '45 49 H 22.60 -8.18 H 20.08 -10.87 H 19.24 -8.18 H 19.68 -11.57 C:11 11.11 -14.56 C:55 22.14 -3.83 C:21 18.50 -19.06 C:21 22.14 -18.31 C:16 13.54 -16.03 C:17 23.44 -11.86 C:14 22.01 -10.94 O 17.29 -16.98 O 23.36 -16.18 O 14.77 -12.57 O 15.96 -11.86 C:27 12.34 -13.90 C:62 19.68 -15.57 C:43 18.50 -16.18 C:33 22.14 -14.04 C:38 22.14 -6.79 C:30 18.50 -11.86 C:33 22.14 -9.59 O 20.92 -4.52 O 19.68 -16.98 O 17.18 -15.47 O 20.92 -16.18 O 15.96 -14.71 O 19.68 -6.79 O 19.68 -9.59 C:170 18.50 -17.66 C:170 22.14 -16.90 C:176 14.77 -13.97 C:41 13.54 -14.63 C:36 22.14 -12.57 C:72 17.18 -12.57 C:105 20.92 -5.92 C:71 20.92 -14.77 C:72 17.18 -14.04 C:40 21.65 -8.18 C:83 20.92 -10.46 C:107 20.19 -8.18 C:44 19.68 -12.57 C:40 20.92 -11.86 C:63 18.50 -14.77 C:46 19.68 -14.04 39 1 -1 40 2 -2 41 3 -1 42 4 -1 5 16 1 6 23 1 7 30 1 8 31 1 33 9 -1 34 10 -2 43 11 -2 12 30 2 13 31 2 14 32 2 35 15 -2 16 33 1 17 24 1 45 17 -2 18 25 1 44 18 -1 19 34 1 19 37 1 20 36 1 20 39 1 21 35 1 21 42 1 22 39 1 22 40 1 36 23 -1 24 30 1 44 25 -2 26 31 1 37 26 -2 27 32 1 38 27 -1 28 36 1 28 41 1 29 40 1 29 41 1 32 33 1 34 43 1 35 38 1 37 45 1 38 44 1 39 41 1 40 43 1 42 43 1 42 45 1 44 45 1', 'C30H46O11', 582.346, 'M', 'hca08_628_1', 3709, '', '', '1', 47, NULL, NULL),
(14543, '6-O-Deacetylajugamarin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[C@H:1](O[C:1001](=O)[C:1002]([CH3:12001])=[CH:1003][CH3:1004])[CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][C@H:12](O)[C:13]4=[CH:14][C:15](=O)O[CH2:16]4', '[H][C@]23[C@H](OC(=O)C(C)=CC)CC[C@]1(CO1)[C@]2(COC(C)=O)[C@@H](O)C[C@@H](C)[C@]3(C)C[C@H](O)C4=CC(=O)OC4', '[H][C@:50]23[C@H:71](O[C:166](=O)[C:129]([CH3:15])=[CH:139][CH3:13])[CH2:32][CH2:30][C@:66]1([CH2:50]O1)[C@:46]2([CH2:62]O[C:171]([CH3:21])=O)[C@@H:73](O)[CH2:34][C@@H:35]([CH3:16])[C@:40]3([CH3:18])[CH2:43][C@H:66](O)[C:171]4=[CH:115][C:174](=O)O[CH2:71]4', '37 40 H 18.86 -10.94 C:1004 11.95 -8.93 C:19002 17.66 -18.42 C:12001 14.67 -8.23 C:17 22.52 -11.24 C:20 21.16 -10.32 O 16.45 -16.32 O 20.40 -4.42 O 14.95 -11.95 O 17.61 -9.80 O 20.11 -15.46 C:1003 12.94 -9.94 C:14 20.03 -6.90 C:2 16.45 -11.95 C:16 17.77 -6.90 C:3 16.45 -13.36 C:18 17.66 -15.46 C:19 18.86 -14.97 C:7 21.35 -13.36 C:11 20.11 -9.80 O 18.18 -5.58 O 18.86 -16.32 O 16.45 -14.75 O 16.66 -10.23 C:19001 17.66 -17.03 C:1002 14.31 -9.58 C:15 19.58 -5.58 C:1001 15.30 -10.60 C:13 18.86 -7.71 C:8 21.35 -11.95 C:12 18.86 -9.12 C:6 20.11 -14.06 C:1 17.66 -11.24 C:9 20.11 -11.24 C:10 18.86 -11.95 C:4 17.66 -14.06 C:5 18.86 -13.36 35 1 -1 2 12 1 3 25 1 4 26 1 30 5 -2 34 6 -2 7 25 2 8 27 2 9 28 2 31 10 -2 32 11 -2 12 26 2 13 27 1 13 29 2 14 16 1 14 33 1 15 21 1 15 29 1 16 36 1 17 23 1 36 17 -1 18 22 1 37 18 -2 19 30 1 19 32 1 20 31 1 20 34 1 21 27 1 22 25 1 36 23 -2 24 28 1 33 24 -1 26 28 1 29 31 1 30 34 1 32 37 1 33 35 1 34 35 1 35 37 1 36 37 1', '37 40 H 18.86 -10.94 C 11.95 -8.93 C 17.66 -18.42 C 14.67 -8.23 C 22.52 -11.24 C 21.16 -10.32 O 16.45 -16.32 O 20.40 -4.42 O 14.95 -11.95 O 17.61 -9.80 O 20.11 -15.46 C 12.94 -9.94 C 20.03 -6.90 C 16.45 -11.95 C 17.77 -6.90 C 16.45 -13.36 C 17.66 -15.46 C 18.86 -14.97 C 21.35 -13.36 C 20.11 -9.80 O 18.18 -5.58 O 18.86 -16.32 O 16.45 -14.75 O 16.66 -10.23 C 17.66 -17.03 C 14.31 -9.58 C 19.58 -5.58 C 15.30 -10.60 C 18.86 -7.71 C 21.35 -11.95 C 18.86 -9.12 C 20.11 -14.06 C 17.66 -11.24 C 20.11 -11.24 C 18.86 -11.95 C 17.66 -14.06 C 18.86 -13.36 35 1 -1 2 12 1 3 25 1 4 26 1 30 5 -2 34 6 -2 7 25 2 8 27 2 9 28 2 31 10 -2 32 11 -2 12 26 2 13 27 1 13 29 2 14 16 1 14 33 1 15 21 1 15 29 1 16 36 1 17 23 1 36 17 -1 18 22 1 37 18 -2 19 30 1 19 32 1 20 31 1 20 34 1 21 27 1 22 25 1 36 23 -2 24 28 1 33 24 -1 26 28 1 29 31 1 30 34 1 32 37 1 33 35 1 34 35 1 35 37 1 36 37 1', '37 40 H 18.86 -10.94 C:13 11.95 -8.93 C:21 17.66 -18.42 C:15 14.67 -8.23 C:16 22.52 -11.24 C:18 21.16 -10.32 O 16.45 -16.32 O 20.40 -4.42 O 14.95 -11.95 O 17.61 -9.80 O 20.11 -15.46 C:139 12.94 -9.94 C:115 20.03 -6.90 C:32 16.45 -11.95 C:71 17.77 -6.90 C:30 16.45 -13.36 C:50 17.66 -15.46 C:62 18.86 -14.97 C:34 21.35 -13.36 C:43 20.11 -9.80 O 18.18 -5.58 O 18.86 -16.32 O 16.45 -14.75 O 16.66 -10.23 C:171 17.66 -17.03 C:129 14.31 -9.58 C:174 19.58 -5.58 C:166 15.30 -10.60 C:171 18.86 -7.71 C:35 21.35 -11.95 C:66 18.86 -9.12 C:73 20.11 -14.06 C:71 17.66 -11.24 C:40 20.11 -11.24 C:50 18.86 -11.95 C:66 17.66 -14.06 C:46 18.86 -13.36 35 1 -1 2 12 1 3 25 1 4 26 1 30 5 -2 34 6 -2 7 25 2 8 27 2 9 28 2 31 10 -2 32 11 -2 12 26 2 13 27 1 13 29 2 14 16 1 14 33 1 15 21 1 15 29 1 16 36 1 17 23 1 36 17 -1 18 22 1 37 18 -2 19 30 1 19 32 1 20 31 1 20 34 1 21 27 1 22 25 1 36 23 -2 24 28 1 33 24 -1 26 28 1 29 31 1 30 34 1 32 37 1 33 35 1 34 35 1 35 37 1 36 37 1', 'C27H38O9', 506.291, 'M', 'hca08_628_2', 3709, '', '', '1', 47, NULL, NULL),
(14544, 'Ajugadecumbenins A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][C@H:12](O[C:12001]([CH3:12002])=O)[C:13]4=[CH:14][C:15](=O)O[CH2:16]4', '[H][C@]23CCC[C@]1(CO1)[C@]2(COC(C)=O)[C@@H](O)C[C@@H](C)[C@]3(C)C[C@H](OC(C)=O)C4=CC(=O)OC4', '[H][C@:48]23[CH2:21][CH2:25][CH2:32][C@:67]1([CH2:48]O1)[C@:45]2([CH2:62]O[C:171]([CH3:21])=O)[C@@H:73](O)[CH2:34][C@@H:35]([CH3:16])[C@:40]3([CH3:17])[CH2:41][C@H:66](O[C:170]([CH3:21])=O)[C:168]4=[CH:116][C:172](=O)O[CH2:70]4', '33 36 H 17.27 -10.95 C:19002 16.07 -18.45 C:12002 13.58 -9.75 C:17 20.94 -11.25 C:20 19.57 -10.33 O 14.86 -16.35 O 14.86 -7.69 O 18.81 -4.43 O 18.52 -15.49 C:14 18.44 -6.92 C:2 14.86 -11.97 C:16 16.18 -6.92 C:1 16.07 -11.25 C:3 14.86 -13.38 C:19 17.27 -15.00 C:18 16.07 -15.49 C:7 19.76 -13.38 C:11 18.52 -9.81 O 16.59 -5.59 O 17.27 -16.35 O 14.86 -14.78 O 16.07 -9.81 C:19001 16.07 -17.06 C:12001 14.86 -9.08 C:15 17.99 -5.59 C:13 17.27 -7.69 C:8 19.76 -11.97 C:6 18.52 -14.09 C:12 17.27 -9.13 C:10 17.27 -11.97 C:9 18.52 -11.25 C:4 16.07 -14.09 C:5 17.27 -13.38 30 1 -1 2 23 1 3 24 1 27 4 -2 31 5 -2 6 23 2 7 24 2 8 25 2 28 9 -2 10 25 1 10 26 2 11 13 1 11 14 1 12 19 1 12 26 1 13 30 1 14 32 1 15 20 1 33 15 -2 16 21 1 32 16 -1 17 27 1 17 28 1 18 29 1 18 31 1 19 25 1 20 23 1 32 21 -2 22 24 1 29 22 -2 26 29 1 27 31 1 28 33 1 30 31 1 30 33 1 32 33 1', '33 36 H 17.27 -10.95 C 16.07 -18.45 C 13.58 -9.75 C 20.94 -11.25 C 19.57 -10.33 O 14.86 -16.35 O 14.86 -7.69 O 18.81 -4.43 O 18.52 -15.49 C 18.44 -6.92 C 14.86 -11.97 C 16.18 -6.92 C 16.07 -11.25 C 14.86 -13.38 C 17.27 -15.00 C 16.07 -15.49 C 19.76 -13.38 C 18.52 -9.81 O 16.59 -5.59 O 17.27 -16.35 O 14.86 -14.78 O 16.07 -9.81 C 16.07 -17.06 C 14.86 -9.08 C 17.99 -5.59 C 17.27 -7.69 C 19.76 -11.97 C 18.52 -14.09 C 17.27 -9.13 C 17.27 -11.97 C 18.52 -11.25 C 16.07 -14.09 C 17.27 -13.38 30 1 -1 2 23 1 3 24 1 27 4 -2 31 5 -2 6 23 2 7 24 2 8 25 2 28 9 -2 10 25 1 10 26 2 11 13 1 11 14 1 12 19 1 12 26 1 13 30 1 14 32 1 15 20 1 33 15 -2 16 21 1 32 16 -1 17 27 1 17 28 1 18 29 1 18 31 1 19 25 1 20 23 1 32 21 -2 22 24 1 29 22 -2 26 29 1 27 31 1 28 33 1 30 31 1 30 33 1 32 33 1', '33 36 H 17.27 -10.95 C:21 16.07 -18.45 C:21 13.58 -9.75 C:16 20.94 -11.25 C:17 19.57 -10.33 O 14.86 -16.35 O 14.86 -7.69 O 18.81 -4.43 O 18.52 -15.49 C:116 18.44 -6.92 C:25 14.86 -11.97 C:70 16.18 -6.92 C:21 16.07 -11.25 C:32 14.86 -13.38 C:62 17.27 -15.00 C:48 16.07 -15.49 C:34 19.76 -13.38 C:41 18.52 -9.81 O 16.59 -5.59 O 17.27 -16.35 O 14.86 -14.78 O 16.07 -9.81 C:171 16.07 -17.06 C:170 14.86 -9.08 C:172 17.99 -5.59 C:168 17.27 -7.69 C:35 19.76 -11.97 C:73 18.52 -14.09 C:66 17.27 -9.13 C:48 17.27 -11.97 C:40 18.52 -11.25 C:67 16.07 -14.09 C:45 17.27 -13.38 30 1 -1 2 23 1 3 24 1 27 4 -2 31 5 -2 6 23 2 7 24 2 8 25 2 28 9 -2 10 25 1 10 26 2 11 13 1 11 14 1 12 19 1 12 26 1 13 30 1 14 32 1 15 20 1 33 15 -2 16 21 1 32 16 -1 17 27 1 17 28 1 18 29 1 18 31 1 19 25 1 20 23 1 32 21 -2 22 24 1 29 22 -2 26 29 1 27 31 1 28 33 1 30 31 1 30 33 1 32 33 1', 'C24H34O8', 450.26, 'M', 'hca08_628_3', 3709, '', '', '1', 47, NULL, NULL),
(14545, 'Ajugadecumbenins B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][C@H:12](O[C:12001](=O)[C:12002]([CH3:12005])=[CH:12003][CH3:12004])[C:13]4=[CH:14][C:15](=O)O[CH2:16]4', '[H][C@]23CCC[C@]1(CO1)[C@]2(COC(C)=O)[C@@H](O)C[C@@H](C)[C@]3(C)C[C@H](OC(=O)C(C)=CC)C4=CC(=O)OC4', '[H][C@:48]23[CH2:21][CH2:25][CH2:32][C@:67]1([CH2:48]O1)[C@:45]2([CH2:62]O[C:171]([CH3:21])=O)[C@@H:73](O)[CH2:34][C@@H:35]([CH3:16])[C@:40]3([CH3:17])[CH2:41][C@H:66](O[C:168](=O)[C:129]([CH3:15])=[CH:138][CH3:12])[C:168]4=[CH:116][C:172](=O)O[CH2:70]4', '36 39 H 18.45 -10.95 C:12004 12.33 -9.65 C:19002 17.25 -18.45 C:12005 14.71 -11.15 C:17 22.12 -11.25 C:20 20.75 -10.33 O 16.04 -16.35 O 19.99 -4.43 O 16.04 -7.69 O 19.70 -15.48 C:12003 13.57 -9.00 C:14 19.62 -6.92 C:2 16.04 -11.97 C:16 17.36 -6.92 C:1 17.25 -11.25 C:3 16.04 -13.38 C:19 18.45 -15.00 C:18 17.25 -15.48 C:7 20.94 -13.38 C:11 19.70 -9.81 O 17.77 -5.59 O 18.45 -16.35 O 16.04 -14.78 O 17.25 -9.81 C:19001 17.25 -17.06 C:12002 14.71 -9.75 C:15 19.17 -5.59 C:12001 16.04 -9.08 C:13 18.45 -7.69 C:8 20.94 -11.97 C:6 19.70 -14.09 C:12 18.45 -9.13 C:10 18.45 -11.97 C:9 19.70 -11.25 C:4 17.25 -14.09 C:5 18.45 -13.38 33 1 -1 2 11 1 3 25 1 4 26 1 30 5 -2 34 6 -2 7 25 2 8 27 2 9 28 2 31 10 -2 11 26 2 12 27 1 12 29 2 13 15 1 13 16 1 14 21 1 14 29 1 15 33 1 16 35 1 17 22 1 36 17 -2 18 23 1 35 18 -1 19 30 1 19 31 1 20 32 1 20 34 1 21 27 1 22 25 1 35 23 -2 24 28 1 32 24 -2 26 28 1 29 32 1 30 34 1 31 36 1 33 34 1 33 36 1 35 36 1', '36 39 H 18.45 -10.95 C 12.33 -9.65 C 17.25 -18.45 C 14.71 -11.15 C 22.12 -11.25 C 20.75 -10.33 O 16.04 -16.35 O 19.99 -4.43 O 16.04 -7.69 O 19.70 -15.48 C 13.57 -9.00 C 19.62 -6.92 C 16.04 -11.97 C 17.36 -6.92 C 17.25 -11.25 C 16.04 -13.38 C 18.45 -15.00 C 17.25 -15.48 C 20.94 -13.38 C 19.70 -9.81 O 17.77 -5.59 O 18.45 -16.35 O 16.04 -14.78 O 17.25 -9.81 C 17.25 -17.06 C 14.71 -9.75 C 19.17 -5.59 C 16.04 -9.08 C 18.45 -7.69 C 20.94 -11.97 C 19.70 -14.09 C 18.45 -9.13 C 18.45 -11.97 C 19.70 -11.25 C 17.25 -14.09 C 18.45 -13.38 33 1 -1 2 11 1 3 25 1 4 26 1 30 5 -2 34 6 -2 7 25 2 8 27 2 9 28 2 31 10 -2 11 26 2 12 27 1 12 29 2 13 15 1 13 16 1 14 21 1 14 29 1 15 33 1 16 35 1 17 22 1 36 17 -2 18 23 1 35 18 -1 19 30 1 19 31 1 20 32 1 20 34 1 21 27 1 22 25 1 35 23 -2 24 28 1 32 24 -2 26 28 1 29 32 1 30 34 1 31 36 1 33 34 1 33 36 1 35 36 1', '36 39 H 18.45 -10.95 C:12 12.33 -9.65 C:21 17.25 -18.45 C:15 14.71 -11.15 C:16 22.12 -11.25 C:17 20.75 -10.33 O 16.04 -16.35 O 19.99 -4.43 O 16.04 -7.69 O 19.70 -15.48 C:138 13.57 -9.00 C:116 19.62 -6.92 C:25 16.04 -11.97 C:70 17.36 -6.92 C:21 17.25 -11.25 C:32 16.04 -13.38 C:62 18.45 -15.00 C:48 17.25 -15.48 C:34 20.94 -13.38 C:41 19.70 -9.81 O 17.77 -5.59 O 18.45 -16.35 O 16.04 -14.78 O 17.25 -9.81 C:171 17.25 -17.06 C:129 14.71 -9.75 C:172 19.17 -5.59 C:168 16.04 -9.08 C:168 18.45 -7.69 C:35 20.94 -11.97 C:73 19.70 -14.09 C:66 18.45 -9.13 C:48 18.45 -11.97 C:40 19.70 -11.25 C:67 17.25 -14.09 C:45 18.45 -13.38 33 1 -1 2 11 1 3 25 1 4 26 1 30 5 -2 34 6 -2 7 25 2 8 27 2 9 28 2 31 10 -2 11 26 2 12 27 1 12 29 2 13 15 1 13 16 1 14 21 1 14 29 1 15 33 1 16 35 1 17 22 1 36 17 -2 18 23 1 35 18 -1 19 30 1 19 31 1 20 32 1 20 34 1 21 27 1 22 25 1 35 23 -2 24 28 1 32 24 -2 26 28 1 29 32 1 30 34 1 31 36 1 33 34 1 33 36 1 35 36 1', 'C27H38O8', 490.292, 'M', 'hca08_628_4', 3709, '', '', '1', 47, NULL, NULL),
(14546, 'Tinosagittones A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[C@@H:1]1[CH:2]=[CH:3][C@@:4](O)([C:18](=O)O1)[C@:5]2([CH3:19])[CH2:6][CH2:7][C@@H:8]([C:17](=O)O[CH3:17001])[C@@:9]3([CH3:20])[CH:11]=[CH:12][c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@@]23[C@@H]1C=C[C@@](O)(C(=O)O1)[C@]2(C)CC[C@@H](C(=O)OC)[C@@]3(C)C=Cc4ccoc4', '[H][C@@:52]23[C@@H:76]1[CH:130]=[CH:137][C@@:80](O)([C:176](=O)O1)[C@:37]2([CH3:26])[CH2:27][CH2:21][C@@H:47]([C:176](=O)O[CH3:52])[C@@:40]3([CH3:26])[CH:136]=[CH:119][c:124]4[cH:107][cH:144]o[cH:140]4', '28 31 H 15.37 -11.88 C:17001 21.64 -12.18 C:20 17.71 -11.23 C:19 15.37 -15.85 O 19.14 -10.74 O 15.06 -13.72 O 14.12 -16.56 C:12 15.37 -9.99 C:2 12.85 -12.92 C:11 16.61 -10.74 C:3 12.85 -14.38 C:15 16.08 -6.30 C:14 16.53 -7.68 C:16 14.20 -7.68 C:7 17.91 -14.38 C:6 16.61 -15.12 O 20.40 -12.92 O 13.42 -13.64 O 14.65 -6.30 C:17 19.14 -12.18 C:18 14.31 -14.22 C:13 15.37 -8.54 C:1 14.12 -12.18 C:8 17.91 -12.92 C:9 16.61 -12.18 C:5 15.37 -14.38 C:4 14.12 -15.12 C:10 15.37 -12.92 28 1 -2 2 17 1 25 3 -1 26 4 -2 5 20 2 6 21 2 27 7 -2 8 10 2 8 22 1 9 11 2 9 23 1 10 25 1 11 27 1 12 13 2 12 19 1 13 22 1 14 19 1 14 22 2 15 16 1 15 24 1 16 26 1 17 20 1 18 21 1 23 18 -1 24 20 -2 21 27 1 23 28 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 15.37 -11.88 C 21.64 -12.18 C 17.71 -11.23 C 15.37 -15.85 O 19.14 -10.74 O 15.06 -13.72 O 14.12 -16.56 C 15.37 -9.99 C 12.85 -12.92 C 16.61 -10.74 C 12.85 -14.38 C 16.08 -6.30 C 16.53 -7.68 C 14.20 -7.68 C 17.91 -14.38 C 16.61 -15.12 O 20.40 -12.92 O 13.42 -13.64 O 14.65 -6.30 C 19.14 -12.18 C 14.31 -14.22 C 15.37 -8.54 C 14.12 -12.18 C 17.91 -12.92 C 16.61 -12.18 C 15.37 -14.38 C 14.12 -15.12 C 15.37 -12.92 28 1 -2 2 17 1 25 3 -1 26 4 -2 5 20 2 6 21 2 27 7 -2 8 10 2 8 22 1 9 11 2 9 23 1 10 25 1 11 27 1 12 13 2 12 19 1 13 22 1 14 19 1 14 22 2 15 16 1 15 24 1 16 26 1 17 20 1 18 21 1 23 18 -1 24 20 -2 21 27 1 23 28 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 15.37 -11.88 C:52 21.64 -12.18 C:26 17.71 -11.23 C:26 15.37 -15.85 O 19.14 -10.74 O 15.06 -13.72 O 14.12 -16.56 C:119 15.37 -9.99 C:130 12.85 -12.92 C:136 16.61 -10.74 C:137 12.85 -14.38 C:144 16.08 -6.30 C:107 16.53 -7.68 C:140 14.20 -7.68 C:21 17.91 -14.38 C:27 16.61 -15.12 O 20.40 -12.92 O 13.42 -13.64 O 14.65 -6.30 C:176 19.14 -12.18 C:176 14.31 -14.22 C:124 15.37 -8.54 C:76 14.12 -12.18 C:47 17.91 -12.92 C:40 16.61 -12.18 C:37 15.37 -14.38 C:80 14.12 -15.12 C:52 15.37 -12.92 28 1 -2 2 17 1 25 3 -1 26 4 -2 5 20 2 6 21 2 27 7 -2 8 10 2 8 22 1 9 11 2 9 23 1 10 25 1 11 27 1 12 13 2 12 19 1 13 22 1 14 19 1 14 22 2 15 16 1 15 24 1 16 26 1 17 20 1 18 21 1 23 18 -1 24 20 -2 21 27 1 23 28 1 24 25 1 25 28 1 26 27 1 26 28 1', 'C21H24O6', 372.229, 'C', 'hca08_978_1', 3710, '', '', '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
(14547, 'Tinosagittones B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[C@@H:1]1[CH:2]=[CH:3][C@@:4](O)([C:18](=O)O1)[C@:5]2([CH3:19])[CH2:6][CH2:7][C@H:8]([C:17](=O)O[CH3:17001])[C@@:9]3([CH3:20])[CH:11]=[CH:12][c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@@]23[C@@H]1C=C[C@@](O)(C(=O)O1)[C@]2(C)CC[C@H](C(=O)OC)[C@@]3(C)C=Cc4ccoc4', '[H][C@@:55]23[C@@H:75]1[CH:130]=[CH:136][C@@:81](O)([C:176](=O)O1)[C@:38]2([CH3:26])[CH2:25][CH2:19][C@H:48]([C:174](=O)O[CH3:51])[C@@:42]3([CH3:15])[CH:138]=[CH:119][c:124]4[cH:107][cH:144]o[cH:140]4', '28 31 H 15.38 -11.89 C:17001 21.66 -12.19 C:20 17.73 -11.24 C:19 15.38 -15.86 O 19.16 -10.75 O 15.07 -13.73 O 14.13 -16.58 C:12 15.38 -10.00 C:2 12.86 -12.93 C:11 16.63 -10.75 C:3 12.86 -14.39 C:15 16.09 -6.31 C:14 16.55 -7.69 C:16 14.21 -7.69 C:7 17.93 -14.39 C:6 16.63 -15.13 O 20.42 -12.93 O 13.43 -13.65 O 14.66 -6.31 C:17 19.16 -12.19 C:18 14.32 -14.23 C:13 15.38 -8.55 C:1 14.13 -12.19 C:8 17.93 -12.93 C:9 16.63 -12.19 C:5 15.38 -14.39 C:4 14.13 -15.13 C:10 15.38 -12.93 28 1 -2 2 17 1 25 3 -1 26 4 -2 5 20 2 6 21 2 27 7 -2 8 10 2 8 22 1 9 11 2 9 23 1 10 25 1 11 27 1 12 13 2 12 19 1 13 22 1 14 19 1 14 22 2 15 16 1 15 24 1 16 26 1 17 20 1 18 21 1 23 18 -1 24 20 -1 21 27 1 23 28 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 15.38 -11.89 C 21.66 -12.19 C 17.73 -11.24 C 15.38 -15.86 O 19.16 -10.75 O 15.07 -13.73 O 14.13 -16.58 C 15.38 -10.00 C 12.86 -12.93 C 16.63 -10.75 C 12.86 -14.39 C 16.09 -6.31 C 16.55 -7.69 C 14.21 -7.69 C 17.93 -14.39 C 16.63 -15.13 O 20.42 -12.93 O 13.43 -13.65 O 14.66 -6.31 C 19.16 -12.19 C 14.32 -14.23 C 15.38 -8.55 C 14.13 -12.19 C 17.93 -12.93 C 16.63 -12.19 C 15.38 -14.39 C 14.13 -15.13 C 15.38 -12.93 28 1 -2 2 17 1 25 3 -1 26 4 -2 5 20 2 6 21 2 27 7 -2 8 10 2 8 22 1 9 11 2 9 23 1 10 25 1 11 27 1 12 13 2 12 19 1 13 22 1 14 19 1 14 22 2 15 16 1 15 24 1 16 26 1 17 20 1 18 21 1 23 18 -1 24 20 -1 21 27 1 23 28 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 15.38 -11.89 C:51 21.66 -12.19 C:15 17.73 -11.24 C:26 15.38 -15.86 O 19.16 -10.75 O 15.07 -13.73 O 14.13 -16.58 C:119 15.38 -10.00 C:130 12.86 -12.93 C:138 16.63 -10.75 C:136 12.86 -14.39 C:144 16.09 -6.31 C:107 16.55 -7.69 C:140 14.21 -7.69 C:19 17.93 -14.39 C:25 16.63 -15.13 O 20.42 -12.93 O 13.43 -13.65 O 14.66 -6.31 C:174 19.16 -12.19 C:176 14.32 -14.23 C:124 15.38 -8.55 C:75 14.13 -12.19 C:48 17.93 -12.93 C:42 16.63 -12.19 C:38 15.38 -14.39 C:81 14.13 -15.13 C:55 15.38 -12.93 28 1 -2 2 17 1 25 3 -1 26 4 -2 5 20 2 6 21 2 27 7 -2 8 10 2 8 22 1 9 11 2 9 23 1 10 25 1 11 27 1 12 13 2 12 19 1 13 22 1 14 19 1 14 22 2 15 16 1 15 24 1 16 26 1 17 20 1 18 21 1 23 18 -1 24 20 -1 21 27 1 23 28 1 24 25 1 25 28 1 26 27 1 26 28 1', 'C21H24O6', 372.229, 'C', 'hca08_978_2', 3710, '', '', '1', 47, NULL, NULL),
(14548, 'Salvinorin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O[CH3:18001])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C(=O)OC)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:18][CH2:38][C@@:42]1([CH3:16])[C@H:54]([C:172](=O)O[CH3:52])[CH2:31][C@H:75](O[C:170]([CH3:21])=O)[C:202](=O)[C@:64]1([H])[C@@:36]2([CH3:15])[CH2:43][C@@H:73]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:171]4=O', '33 36 H 20.37 -10.92 H 17.88 -10.80 C:18001 15.40 -17.52 C:2002 11.71 -11.14 C:19 17.88 -14.70 C:20 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C:15 21.13 -5.32 C:14 21.60 -6.67 C:16 19.24 -6.67 C:7 20.37 -13.24 C:6 19.09 -13.99 C:3 15.40 -13.24 C:11 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C:2001 12.94 -11.83 C:18 16.62 -15.41 C:17 21.60 -11.14 C:1 16.62 -11.14 C:13 20.37 -7.51 C:2 15.40 -11.83 C:12 20.37 -8.95 C:4 16.62 -13.99 C:8 20.37 -11.83 C:5 17.88 -13.24 C:9 19.09 -11.14 C:10 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', '33 36 H 20.37 -10.92 H 17.88 -10.80 C 15.40 -17.52 C 11.71 -11.14 C 17.88 -14.70 C 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C 21.13 -5.32 C 21.60 -6.67 C 19.24 -6.67 C 20.37 -13.24 C 19.09 -13.99 C 15.40 -13.24 C 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C 12.94 -11.83 C 16.62 -15.41 C 21.60 -11.14 C 16.62 -11.14 C 20.37 -7.51 C 15.40 -11.83 C 20.37 -8.95 C 16.62 -13.99 C 20.37 -11.83 C 17.88 -13.24 C 19.09 -11.14 C 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', '33 36 H 20.37 -10.92 H 17.88 -10.80 C:52 15.40 -17.52 C:21 11.71 -11.14 C:16 17.88 -14.70 C:15 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C:144 21.13 -5.32 C:108 21.60 -6.67 C:139 19.24 -6.67 C:18 20.37 -13.24 C:38 19.09 -13.99 C:31 15.40 -13.24 C:43 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C:170 12.94 -11.83 C:172 16.62 -15.41 C:171 21.60 -11.14 C:202 16.62 -11.14 C:125 20.37 -7.51 C:75 15.40 -11.83 C:73 20.37 -8.95 C:54 16.62 -13.99 C:51 20.37 -11.83 C:42 17.88 -13.24 C:36 19.09 -11.14 C:64 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', 'C23H28O8', 432.257, 'C', 'mrc07_351_1', 3711, '', '', '1', 47, NULL, NULL),
(14549, 'Salvinorin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O[CH3:18001])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C(=O)OC)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:19][CH2:38][C@@:42]1([CH3:16])[C@H:53]([C:172](=O)O[CH3:52])[CH2:31][C@H:75](O[C:170]([CH3:20])=O)[C:203](=O)[C@:63]1([H])[C@@:36]2([CH3:15])[CH2:43][C@@H:72]([c:126]3[cH:109][cH:144]o[cH:140]3)O[C:171]4=O', '33 36 H 20.37 -10.92 H 17.88 -10.80 C:18001 15.40 -17.52 C:2002 11.71 -11.14 C:19 17.88 -14.70 C:20 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C:15 21.13 -5.32 C:14 21.60 -6.67 C:16 19.24 -6.67 C:7 20.37 -13.24 C:6 19.09 -13.99 C:3 15.40 -13.24 C:11 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C:2001 12.94 -11.83 C:18 16.62 -15.41 C:17 21.60 -11.14 C:1 16.62 -11.14 C:13 20.37 -7.51 C:2 15.40 -11.83 C:12 20.37 -8.95 C:4 16.62 -13.99 C:8 20.37 -11.83 C:5 17.88 -13.24 C:9 19.09 -11.14 C:10 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', '33 36 H 20.37 -10.92 H 17.88 -10.80 C 15.40 -17.52 C 11.71 -11.14 C 17.88 -14.70 C 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C 21.13 -5.32 C 21.60 -6.67 C 19.24 -6.67 C 20.37 -13.24 C 19.09 -13.99 C 15.40 -13.24 C 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C 12.94 -11.83 C 16.62 -15.41 C 21.60 -11.14 C 16.62 -11.14 C 20.37 -7.51 C 15.40 -11.83 C 20.37 -8.95 C 16.62 -13.99 C 20.37 -11.83 C 17.88 -13.24 C 19.09 -11.14 C 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', '33 36 H 20.37 -10.92 H 17.88 -10.80 C:52 15.40 -17.52 C:20 11.71 -11.14 C:16 17.88 -14.70 C:15 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C:144 21.13 -5.32 C:109 21.60 -6.67 C:140 19.24 -6.67 C:19 20.37 -13.24 C:38 19.09 -13.99 C:31 15.40 -13.24 C:43 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C:170 12.94 -11.83 C:172 16.62 -15.41 C:171 21.60 -11.14 C:203 16.62 -11.14 C:126 20.37 -7.51 C:75 15.40 -11.83 C:72 20.37 -8.95 C:53 16.62 -13.99 C:51 20.37 -11.83 C:42 17.88 -13.24 C:36 19.09 -11.14 C:63 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', 'C23H28O8', 432.257, 'C+A', 'mrc07_351_1', 3711, '', '', '1', 47, NULL, NULL),
(14550, 'Salvinorin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O[CH3:18001])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C(=O)OC)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:19][CH2:38][C@@:42]1([CH3:16])[C@H:53]([C:172](=O)O[CH3:52])[CH2:31][C@H:75](O[C:170]([CH3:20])=O)[C:202](=O)[C@:63]1([H])[C@@:36]2([CH3:15])[CH2:43][C@@H:72]([c:126]3[cH:109][cH:144]o[cH:140]3)O[C:171]4=O', '33 36 H 20.37 -10.92 H 17.88 -10.80 C:18001 15.40 -17.52 C:2002 11.71 -11.14 C:19 17.88 -14.70 C:20 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C:15 21.13 -5.32 C:14 21.60 -6.67 C:16 19.24 -6.67 C:7 20.37 -13.24 C:6 19.09 -13.99 C:3 15.40 -13.24 C:11 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C:2001 12.94 -11.83 C:18 16.62 -15.41 C:17 21.60 -11.14 C:1 16.62 -11.14 C:13 20.37 -7.51 C:2 15.40 -11.83 C:12 20.37 -8.95 C:4 16.62 -13.99 C:8 20.37 -11.83 C:5 17.88 -13.24 C:9 19.09 -11.14 C:10 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', '33 36 H 20.37 -10.92 H 17.88 -10.80 C 15.40 -17.52 C 11.71 -11.14 C 17.88 -14.70 C 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C 21.13 -5.32 C 21.60 -6.67 C 19.24 -6.67 C 20.37 -13.24 C 19.09 -13.99 C 15.40 -13.24 C 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C 12.94 -11.83 C 16.62 -15.41 C 21.60 -11.14 C 16.62 -11.14 C 20.37 -7.51 C 15.40 -11.83 C 20.37 -8.95 C 16.62 -13.99 C 20.37 -11.83 C 17.88 -13.24 C 19.09 -11.14 C 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', '33 36 H 20.37 -10.92 H 17.88 -10.80 C:52 15.40 -17.52 C:20 11.71 -11.14 C:16 17.88 -14.70 C:15 19.09 -12.52 O 12.94 -13.24 O 17.81 -16.12 O 22.82 -11.83 O 16.62 -9.72 C:144 21.13 -5.32 C:109 21.60 -6.67 C:140 19.24 -6.67 C:19 20.37 -13.24 C:38 19.09 -13.99 C:31 15.40 -13.24 C:43 19.09 -9.72 O 15.40 -16.12 O 14.15 -11.14 O 21.60 -9.72 O 19.71 -5.32 C:170 12.94 -11.83 C:172 16.62 -15.41 C:171 21.60 -11.14 C:202 16.62 -11.14 C:126 20.37 -7.51 C:75 15.40 -11.83 C:72 20.37 -8.95 C:53 16.62 -13.99 C:51 20.37 -11.83 C:42 17.88 -13.24 C:36 19.09 -11.14 C:63 17.88 -11.83 30 1 -1 33 2 -1 3 18 1 4 22 1 31 5 -2 32 6 -2 7 22 2 8 23 2 9 24 2 10 25 2 11 12 2 11 21 1 12 26 1 13 21 1 13 26 2 14 15 1 14 30 1 15 31 1 16 27 1 16 29 1 17 28 1 17 32 1 18 23 1 19 22 1 27 19 -2 20 24 1 20 28 1 29 23 -2 24 30 1 25 27 1 25 33 1 28 26 -1 29 31 1 30 32 1 31 33 1 32 33 1', 'C23H28O8', 432.257, 'C+B+P', 'mrc07_351_1', 3711, '', '', '1', 47, NULL, NULL),
(14551, 'Salvinorin B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O[CH3:18001])[CH2:3][C@H:2](O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C(=O)OC)C[C@H](O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:19][CH2:39][C@@:43]1([CH3:17])[C@H:54]([C:173](=O)O[CH3:52])[CH2:36][C@H:75](O)[C:210](=O)[C@:63]1([H])[C@@:36]2([CH3:16])[CH2:44][C@@H:72]([c:127]3[cH:110][cH:145]o[cH:141]3)O[C:172]4=O', '30 33 H 19.09 -10.94 H 16.56 -10.82 C:18001 14.14 -17.53 C:19 16.56 -14.73 C:20 17.82 -12.56 O 16.56 -16.14 O 21.56 -11.85 O 15.36 -9.73 O 12.89 -11.15 C:15 19.85 -5.36 C:14 20.32 -6.71 C:16 17.96 -6.71 C:7 19.09 -13.30 C:6 17.82 -14.02 C:3 14.14 -13.30 C:11 17.82 -9.73 O 14.14 -16.14 O 20.32 -9.73 O 18.43 -5.36 C:18 15.36 -15.44 C:17 20.32 -11.15 C:1 15.36 -11.15 C:13 19.09 -7.55 C:2 14.14 -11.85 C:12 19.09 -8.97 C:4 15.36 -14.02 C:8 19.09 -11.85 C:5 16.56 -13.30 C:9 17.82 -11.15 C:10 16.56 -11.85 27 1 -1 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', '30 33 H 19.09 -10.94 H 16.56 -10.82 C 14.14 -17.53 C 16.56 -14.73 C 17.82 -12.56 O 16.56 -16.14 O 21.56 -11.85 O 15.36 -9.73 O 12.89 -11.15 C 19.85 -5.36 C 20.32 -6.71 C 17.96 -6.71 C 19.09 -13.30 C 17.82 -14.02 C 14.14 -13.30 C 17.82 -9.73 O 14.14 -16.14 O 20.32 -9.73 O 18.43 -5.36 C 15.36 -15.44 C 20.32 -11.15 C 15.36 -11.15 C 19.09 -7.55 C 14.14 -11.85 C 19.09 -8.97 C 15.36 -14.02 C 19.09 -11.85 C 16.56 -13.30 C 17.82 -11.15 C 16.56 -11.85 27 1 -1 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', '30 33 H 19.09 -10.94 H 16.56 -10.82 C:52 14.14 -17.53 C:17 16.56 -14.73 C:16 17.82 -12.56 O 16.56 -16.14 O 21.56 -11.85 O 15.36 -9.73 O 12.89 -11.15 C:145 19.85 -5.36 C:110 20.32 -6.71 C:141 17.96 -6.71 C:19 19.09 -13.30 C:39 17.82 -14.02 C:36 14.14 -13.30 C:44 17.82 -9.73 O 14.14 -16.14 O 20.32 -9.73 O 18.43 -5.36 C:173 15.36 -15.44 C:172 20.32 -11.15 C:210 15.36 -11.15 C:127 19.09 -7.55 C:75 14.14 -11.85 C:72 19.09 -8.97 C:54 15.36 -14.02 C:51 19.09 -11.85 C:43 16.56 -13.30 C:36 17.82 -11.15 C:63 16.56 -11.85 27 1 -1 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', 'C21H26O7', 390.236, 'A', 'mrc07_351_2', 3711, '', '', '1', 47, NULL, NULL),
(14552, 'Ballotenic acid A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:6]23[CH2:7][C@@H:8]([CH3:17])[C@:9]([CH3:20])([CH2:11][CH2:12][CH:13]1[CH2:14][CH2:15]O[C:16]1=O)[C@@:10]4([H])[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O2)[C@:5]34[CH3:19]', '[H][C@]23C[C@@H](C)[C@](C)(CCC1CCOC1=O)[C@@]4([H])CCC=C(C(=O)O2)[C@]34C', '[H][C@:85]23[CH2:31][C@@H:39]([CH3:17])[C@:43]([CH3:21])([CH2:36][CH2:24][CH:41]1[CH2:32][CH2:70]O[C:173]1=O)[C@@:46]4([H])[CH2:18][CH2:28][CH:134]=[C:140]([C:173](=O)O2)[C@:40]34[CH3:18]', '26 29 H 18.66 -15.16 H 16.61 -11.33 C:17 20.31 -11.62 C:20 18.91 -10.70 C:19 16.61 -15.16 O 14.80 -16.91 O 14.14 -7.69 C:3 14.14 -13.75 C:2 14.14 -12.34 C:15 17.30 -5.94 C:14 17.74 -7.26 C:12 16.61 -9.46 C:1 15.38 -11.62 C:11 17.84 -10.19 C:7 19.09 -13.75 O 15.94 -5.94 O 17.40 -15.89 C:18 15.74 -15.89 C:16 15.48 -7.26 C:4 15.38 -14.46 C:8 19.09 -12.34 C:13 16.61 -8.07 C:6 17.84 -14.46 C:10 16.61 -12.34 C:9 17.84 -11.62 C:5 16.61 -13.75 23 1 -2 24 2 -1 21 3 -2 25 4 -2 26 5 -2 6 18 2 7 19 2 8 9 1 8 20 2 9 13 1 10 11 1 10 16 1 11 22 1 12 14 1 12 22 1 13 24 1 14 25 1 15 21 1 15 23 1 16 19 1 17 18 1 17 23 1 18 20 1 19 22 1 20 26 1 21 25 1 23 26 1 24 25 1 24 26 1', '26 29 H 18.66 -15.16 H 16.61 -11.33 C 20.31 -11.62 C 18.91 -10.70 C 16.61 -15.16 O 14.80 -16.91 O 14.14 -7.69 C 14.14 -13.75 C 14.14 -12.34 C 17.30 -5.94 C 17.74 -7.26 C 16.61 -9.46 C 15.38 -11.62 C 17.84 -10.19 C 19.09 -13.75 O 15.94 -5.94 O 17.40 -15.89 C 15.74 -15.89 C 15.48 -7.26 C 15.38 -14.46 C 19.09 -12.34 C 16.61 -8.07 C 17.84 -14.46 C 16.61 -12.34 C 17.84 -11.62 C 16.61 -13.75 23 1 -2 24 2 -1 21 3 -2 25 4 -2 26 5 -2 6 18 2 7 19 2 8 9 1 8 20 2 9 13 1 10 11 1 10 16 1 11 22 1 12 14 1 12 22 1 13 24 1 14 25 1 15 21 1 15 23 1 16 19 1 17 18 1 17 23 1 18 20 1 19 22 1 20 26 1 21 25 1 23 26 1 24 25 1 24 26 1', '26 29 H 18.66 -15.16 H 16.61 -11.33 C:17 20.31 -11.62 C:21 18.91 -10.70 C:18 16.61 -15.16 O 14.80 -16.91 O 14.14 -7.69 C:134 14.14 -13.75 C:28 14.14 -12.34 C:70 17.30 -5.94 C:32 17.74 -7.26 C:24 16.61 -9.46 C:18 15.38 -11.62 C:36 17.84 -10.19 C:31 19.09 -13.75 O 15.94 -5.94 O 17.40 -15.89 C:173 15.74 -15.89 C:173 15.48 -7.26 C:140 15.38 -14.46 C:39 19.09 -12.34 C:41 16.61 -8.07 C:85 17.84 -14.46 C:46 16.61 -12.34 C:43 17.84 -11.62 C:40 16.61 -13.75 23 1 -2 24 2 -1 21 3 -2 25 4 -2 26 5 -2 6 18 2 7 19 2 8 9 1 8 20 2 9 13 1 10 11 1 10 16 1 11 22 1 12 14 1 12 22 1 13 24 1 14 25 1 15 21 1 15 23 1 16 19 1 17 18 1 17 23 1 18 20 1 19 22 1 20 26 1 21 25 1 23 26 1 24 25 1 24 26 1', 'C20H28O4', 332.227, 'C', 'mrc08_766_1', 3712, '', '', '1', 47, NULL, NULL),
(14553, 'Ballodiolic acid A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:6]12[CH2:7][C@@H:8]([CH3:17])[C@:9]([CH3:20])([CH2:11][CH2:12][CH:13]([CH2:16]O)[CH2:14][CH2:15]O)[C@@:10]3([H])[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O1)[C@:5]23[CH3:19]', '[H][C@]12C[C@@H](C)[C@](C)(CCC(CO)CCO)[C@@]3([H])CCC=C(C(=O)O1)[C@]23C', '[H][C@:85]12[CH2:33][C@@H:38]([CH3:16])[C@:43]([CH3:19])([CH2:37][CH2:26][CH:40]([CH2:64]O)[CH2:31][CH2:69]O)[C@@:46]3([H])[CH2:19][CH2:26][CH:133]=[C:139]([C:171](=O)O1)[C@:41]23[CH3:17]', '26 28 H 18.08 -15.52 H 16.08 -11.68 C:17 19.73 -11.98 C:20 18.33 -11.06 C:19 16.08 -15.52 O 14.25 -17.25 O 20.94 -5.64 O 17.27 -6.35 C:3 13.60 -14.12 C:15 19.73 -6.35 C:2 13.60 -12.71 C:16 17.27 -7.74 C:14 19.73 -7.74 C:12 18.51 -9.85 C:1 14.84 -11.98 C:11 17.27 -10.56 C:7 18.51 -14.12 O 16.88 -16.23 C:18 15.21 -16.23 C:4 14.84 -14.83 C:8 18.51 -12.71 C:13 18.51 -8.45 C:6 17.27 -14.83 C:10 16.08 -12.71 C:9 17.27 -11.98 C:5 16.08 -14.12 23 1 -2 24 2 -1 21 3 -2 25 4 -2 26 5 -2 6 19 2 7 10 1 8 12 1 9 11 1 9 20 2 10 13 1 11 15 1 12 22 1 13 22 1 14 16 1 14 22 1 15 24 1 16 25 1 17 21 1 17 23 1 18 19 1 18 23 1 19 20 1 20 26 1 21 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 18.08 -15.52 H 16.08 -11.68 C 19.73 -11.98 C 18.33 -11.06 C 16.08 -15.52 O 14.25 -17.25 O 20.94 -5.64 O 17.27 -6.35 C 13.60 -14.12 C 19.73 -6.35 C 13.60 -12.71 C 17.27 -7.74 C 19.73 -7.74 C 18.51 -9.85 C 14.84 -11.98 C 17.27 -10.56 C 18.51 -14.12 O 16.88 -16.23 C 15.21 -16.23 C 14.84 -14.83 C 18.51 -12.71 C 18.51 -8.45 C 17.27 -14.83 C 16.08 -12.71 C 17.27 -11.98 C 16.08 -14.12 23 1 -2 24 2 -1 21 3 -2 25 4 -2 26 5 -2 6 19 2 7 10 1 8 12 1 9 11 1 9 20 2 10 13 1 11 15 1 12 22 1 13 22 1 14 16 1 14 22 1 15 24 1 16 25 1 17 21 1 17 23 1 18 19 1 18 23 1 19 20 1 20 26 1 21 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 18.08 -15.52 H 16.08 -11.68 C:16 19.73 -11.98 C:19 18.33 -11.06 C:17 16.08 -15.52 O 14.25 -17.25 O 20.94 -5.64 O 17.27 -6.35 C:133 13.60 -14.12 C:69 19.73 -6.35 C:26 13.60 -12.71 C:64 17.27 -7.74 C:31 19.73 -7.74 C:26 18.51 -9.85 C:19 14.84 -11.98 C:37 17.27 -10.56 C:33 18.51 -14.12 O 16.88 -16.23 C:171 15.21 -16.23 C:139 14.84 -14.83 C:38 18.51 -12.71 C:40 18.51 -8.45 C:85 17.27 -14.83 C:46 16.08 -12.71 C:43 17.27 -11.98 C:41 16.08 -14.12 23 1 -2 24 2 -1 21 3 -2 25 4 -2 26 5 -2 6 19 2 7 10 1 8 12 1 9 11 1 9 20 2 10 13 1 11 15 1 12 22 1 13 22 1 14 16 1 14 22 1 15 24 1 16 25 1 17 21 1 17 23 1 18 19 1 18 23 1 19 20 1 20 26 1 21 25 1 23 26 1 24 25 1 24 26 1', 'C20H32O4', 336.227, 'C', 'mrc08_766_2', 3712, '', '', '1', 47, NULL, NULL),
(14554, 'Caseanigrescens A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](O)[C@H](OC(C)=O)[C@@H](C)[C@@]3(C)CCC(=C)C=C', '[H][C@@:36]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[CH:122]=[C:146]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:99](O[C:169]([CH3:21])=O)[C@:54]12[C@@H:75](O)[C@H:76](O[C:171]([CH3:21])=O)[C@@H:42]([CH3:11])[C@@:39]3([CH3:26])[CH2:29][CH2:24][C:145](=[CH2:117])[CH:141]=[CH2:112]', '41 43 H 18.43 -10.70 C:15 19.62 -5.29 C:16 17.19 -6.77 C:2004 9.91 -11.03 C:18002 13.53 -16.00 C:19002 21.47 -17.51 C:7002 24.54 -13.91 C:17 22.12 -11.03 C:20 20.73 -10.06 O 14.73 -13.91 O 19.04 -17.51 O 23.33 -11.82 O 13.53 -13.13 O 21.00 -14.44 C:14 19.62 -6.69 C:3 15.95 -13.19 C:2003 11.13 -11.73 C:12 18.50 -8.82 C:2002 12.33 -11.03 C:11 19.62 -9.55 C:1 17.19 -11.03 O 14.73 -11.03 O 15.95 -16.00 O 20.25 -15.43 O 22.12 -13.91 O 18.58 -15.43 C:13 18.50 -7.42 C:18001 14.73 -15.29 C:19001 20.25 -16.80 C:7001 23.33 -13.19 C:2001 13.53 -11.73 C:4 17.19 -13.91 C:2 15.95 -11.73 C:8 20.93 -11.73 C:18 17.19 -15.29 C:6 19.68 -13.91 C:19 19.25 -14.44 C:7 20.93 -13.19 C:10 18.43 -11.73 C:9 19.62 -11.03 C:5 18.43 -13.19 39 1 -2 2 15 2 3 27 2 4 17 1 5 28 1 6 29 1 7 30 1 34 8 -2 40 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 36 14 -2 15 27 1 16 32 2 16 33 1 17 19 1 18 20 1 18 27 1 19 31 1 20 40 1 21 33 1 21 39 1 22 31 1 33 22 -2 23 28 1 35 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 26 35 1 26 37 1 32 35 1 32 41 1 34 38 1 34 40 1 36 38 1 36 41 1 41 37 -2 39 40 1 39 41 1', '41 43 H 18.43 -10.70 C 19.62 -5.29 C 17.19 -6.77 C 9.91 -11.03 C 13.53 -16.00 C 21.47 -17.51 C 24.54 -13.91 C 22.12 -11.03 C 20.73 -10.06 O 14.73 -13.91 O 19.04 -17.51 O 23.33 -11.82 O 13.53 -13.13 O 21.00 -14.44 C 19.62 -6.69 C 15.95 -13.19 C 11.13 -11.73 C 18.50 -8.82 C 12.33 -11.03 C 19.62 -9.55 C 17.19 -11.03 O 14.73 -11.03 O 15.95 -16.00 O 20.25 -15.43 O 22.12 -13.91 O 18.58 -15.43 C 18.50 -7.42 C 14.73 -15.29 C 20.25 -16.80 C 23.33 -13.19 C 13.53 -11.73 C 17.19 -13.91 C 15.95 -11.73 C 20.93 -11.73 C 17.19 -15.29 C 19.68 -13.91 C 19.25 -14.44 C 20.93 -13.19 C 18.43 -11.73 C 19.62 -11.03 C 18.43 -13.19 39 1 -2 2 15 2 3 27 2 4 17 1 5 28 1 6 29 1 7 30 1 34 8 -2 40 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 36 14 -2 15 27 1 16 32 2 16 33 1 17 19 1 18 20 1 18 27 1 19 31 1 20 40 1 21 33 1 21 39 1 22 31 1 33 22 -2 23 28 1 35 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 26 35 1 26 37 1 32 35 1 32 41 1 34 38 1 34 40 1 36 38 1 36 41 1 41 37 -2 39 40 1 39 41 1', '41 43 H 18.43 -10.70 C:112 19.62 -5.29 C:117 17.19 -6.77 C:14 9.91 -11.03 C:21 13.53 -16.00 C:21 21.47 -17.51 C:21 24.54 -13.91 C:11 22.12 -11.03 C:26 20.73 -10.06 O 14.73 -13.91 O 19.04 -17.51 O 23.33 -11.82 O 13.53 -13.13 O 21.00 -14.44 C:141 19.62 -6.69 C:122 15.95 -13.19 C:19 11.13 -11.73 C:24 18.50 -8.82 C:36 12.33 -11.03 C:29 19.62 -9.55 C:27 17.19 -11.03 O 14.73 -11.03 O 15.95 -16.00 O 20.25 -15.43 O 22.12 -13.91 O 18.58 -15.43 C:145 18.50 -7.42 C:170 14.73 -15.29 C:169 20.25 -16.80 C:171 23.33 -13.19 C:173 13.53 -11.73 C:146 17.19 -13.91 C:66 15.95 -11.73 C:42 20.93 -11.73 C:96 17.19 -15.29 C:75 19.68 -13.91 C:99 19.25 -14.44 C:76 20.93 -13.19 C:36 18.43 -11.73 C:39 19.62 -11.03 C:54 18.43 -13.19 39 1 -2 2 15 2 3 27 2 4 17 1 5 28 1 6 29 1 7 30 1 34 8 -2 40 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 36 14 -2 15 27 1 16 32 2 16 33 1 17 19 1 18 20 1 18 27 1 19 31 1 20 40 1 21 33 1 21 39 1 22 31 1 33 22 -2 23 28 1 35 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 26 35 1 26 37 1 32 35 1 32 41 1 34 38 1 34 40 1 36 38 1 36 41 1 41 37 -2 39 40 1 39 41 1', 'C30H42O10', 562.323, 'B', 'np07_206_1', 3713, '', '', '1', 47, NULL, NULL),
(14555, 'Caseanigrescen B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[C@H:7](O)[C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](O)[C@H](O)[C@@H](C)[C@@]3(C)CCC(=C)C=C', '[H][C@@:37]23[CH2:27][C@@H:67](O[C:172](=O)[CH2:36][CH2:19][CH3:14])[CH:122]=[C:145]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:99](O[C:169]([CH3:21])=O)[C@:54]12[C@@H:77](O)[C@H:73](O)[C@@H:43]([CH3:11])[C@@:39]3([CH3:26])[CH2:30][CH2:24][C:145](=[CH2:116])[CH:141]=[CH2:112]', '38 40 H 19.66 -10.69 C:15 20.84 -5.30 C:16 18.43 -6.78 C:2004 11.13 -11.02 C:18002 14.77 -16.00 C:19002 22.70 -17.51 C:17 23.35 -11.02 C:20 21.97 -10.07 O 15.97 -13.92 O 20.27 -17.51 O 14.77 -13.13 O 23.35 -13.92 O 22.24 -14.45 C:14 20.84 -6.70 C:3 17.19 -13.19 C:2003 12.35 -11.72 C:12 19.73 -8.83 C:2002 13.57 -11.02 C:11 20.84 -9.56 C:1 18.43 -11.02 O 15.97 -11.02 O 17.19 -16.00 O 21.48 -15.43 O 19.81 -15.43 C:13 19.73 -7.43 C:18001 15.97 -15.29 C:19001 21.48 -16.80 C:2001 14.77 -11.72 C:4 18.43 -13.92 C:2 17.19 -11.72 C:8 22.17 -11.72 C:18 18.43 -15.29 C:7 22.17 -13.19 C:6 20.91 -13.92 C:19 20.48 -14.45 C:10 19.66 -11.72 C:9 20.84 -11.02 C:5 19.66 -13.19 36 1 -2 2 14 2 3 25 2 4 16 1 5 26 1 6 27 1 31 7 -2 37 8 -1 9 26 2 10 27 2 11 28 2 33 12 -1 34 13 -2 14 25 1 15 29 2 15 30 1 16 18 1 17 19 1 17 25 1 18 28 1 19 37 1 20 30 1 20 36 1 21 28 1 30 21 -2 22 26 1 32 22 -2 23 27 1 35 23 -2 24 32 1 24 35 1 29 32 1 29 38 1 31 33 1 31 37 1 33 34 1 34 38 1 38 35 -2 36 37 1 36 38 1', '38 40 H 19.66 -10.69 C 20.84 -5.30 C 18.43 -6.78 C 11.13 -11.02 C 14.77 -16.00 C 22.70 -17.51 C 23.35 -11.02 C 21.97 -10.07 O 15.97 -13.92 O 20.27 -17.51 O 14.77 -13.13 O 23.35 -13.92 O 22.24 -14.45 C 20.84 -6.70 C 17.19 -13.19 C 12.35 -11.72 C 19.73 -8.83 C 13.57 -11.02 C 20.84 -9.56 C 18.43 -11.02 O 15.97 -11.02 O 17.19 -16.00 O 21.48 -15.43 O 19.81 -15.43 C 19.73 -7.43 C 15.97 -15.29 C 21.48 -16.80 C 14.77 -11.72 C 18.43 -13.92 C 17.19 -11.72 C 22.17 -11.72 C 18.43 -15.29 C 22.17 -13.19 C 20.91 -13.92 C 20.48 -14.45 C 19.66 -11.72 C 20.84 -11.02 C 19.66 -13.19 36 1 -2 2 14 2 3 25 2 4 16 1 5 26 1 6 27 1 31 7 -2 37 8 -1 9 26 2 10 27 2 11 28 2 33 12 -1 34 13 -2 14 25 1 15 29 2 15 30 1 16 18 1 17 19 1 17 25 1 18 28 1 19 37 1 20 30 1 20 36 1 21 28 1 30 21 -2 22 26 1 32 22 -2 23 27 1 35 23 -2 24 32 1 24 35 1 29 32 1 29 38 1 31 33 1 31 37 1 33 34 1 34 38 1 38 35 -2 36 37 1 36 38 1', '38 40 H 19.66 -10.69 C:112 20.84 -5.30 C:116 18.43 -6.78 C:14 11.13 -11.02 C:21 14.77 -16.00 C:21 22.70 -17.51 C:11 23.35 -11.02 C:26 21.97 -10.07 O 15.97 -13.92 O 20.27 -17.51 O 14.77 -13.13 O 23.35 -13.92 O 22.24 -14.45 C:141 20.84 -6.70 C:122 17.19 -13.19 C:19 12.35 -11.72 C:24 19.73 -8.83 C:36 13.57 -11.02 C:30 20.84 -9.56 C:27 18.43 -11.02 O 15.97 -11.02 O 17.19 -16.00 O 21.48 -15.43 O 19.81 -15.43 C:145 19.73 -7.43 C:170 15.97 -15.29 C:169 21.48 -16.80 C:172 14.77 -11.72 C:145 18.43 -13.92 C:67 17.19 -11.72 C:43 22.17 -11.72 C:96 18.43 -15.29 C:73 22.17 -13.19 C:77 20.91 -13.92 C:99 20.48 -14.45 C:37 19.66 -11.72 C:39 20.84 -11.02 C:54 19.66 -13.19 36 1 -2 2 14 2 3 25 2 4 16 1 5 26 1 6 27 1 31 7 -2 37 8 -1 9 26 2 10 27 2 11 28 2 33 12 -1 34 13 -2 14 25 1 15 29 2 15 30 1 16 18 1 17 19 1 17 25 1 18 28 1 19 37 1 20 30 1 20 36 1 21 28 1 30 21 -2 22 26 1 32 22 -2 23 27 1 35 23 -2 24 32 1 24 35 1 29 32 1 29 38 1 31 33 1 31 37 1 33 34 1 34 38 1 38 35 -2 36 37 1 36 38 1', 'C28H40O9', 520.302, 'B', 'np07_206_2', 3713, '', '', '1', 47, NULL, NULL),
(14556, 'Caseanigrescen C', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O)[C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](OC(C)=O)[C@H](O)[C@@H](C)[C@@]3(C)CCC(=C)C=C', '[H][C@@:37]23[CH2:27][C@@H:66](O[C:172](=O)[CH2:36][CH2:19][CH3:14])[CH:124]=[C:144]1[C@@H:95](O[C:170]([CH3:21])=O)O[C@@H:99](O[C:169]([CH3:22])=O)[C@:53]12[C@@H:77](O[C:171]([CH3:21])=O)[C@H:71](O)[C@@H:43]([CH3:11])[C@@:39]3([CH3:26])[CH2:29][CH2:24][C:145](=[CH2:116])[CH:141]=[CH2:112]', '41 43 H 19.02 -10.73 C:15 20.20 -5.30 C:16 17.79 -6.78 C:2004 10.49 -11.06 C:18002 14.13 -16.03 C:19002 22.05 -17.54 C:6002 23.98 -14.14 C:17 22.71 -11.06 C:20 21.31 -10.08 O 15.33 -13.95 O 19.63 -17.54 O 22.90 -16.41 O 14.13 -13.17 O 22.71 -13.95 C:14 20.20 -6.70 C:3 16.56 -13.23 C:2003 11.71 -11.76 C:12 19.09 -8.84 C:2002 12.91 -11.06 C:11 20.20 -9.57 C:1 17.79 -11.06 O 15.33 -11.06 O 16.56 -16.03 O 20.83 -15.46 O 21.58 -14.48 O 19.17 -15.46 C:13 19.09 -7.43 C:18001 15.33 -15.32 C:19001 20.83 -16.84 C:6001 22.90 -15.00 C:2001 14.13 -11.76 C:4 17.79 -13.95 C:2 16.56 -11.76 C:8 21.51 -11.76 C:18 17.79 -15.32 C:7 21.51 -13.23 C:19 19.84 -14.48 C:6 20.26 -13.95 C:10 19.02 -11.76 C:9 20.20 -11.06 C:5 19.02 -13.23 39 1 -2 2 15 2 3 27 2 4 17 1 5 28 1 6 29 1 7 30 1 34 8 -2 40 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 36 14 -1 15 27 1 16 32 2 16 33 1 17 19 1 18 20 1 18 27 1 19 31 1 20 40 1 21 33 1 21 39 1 22 31 1 33 22 -2 23 28 1 35 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -2 26 35 1 26 37 1 32 35 1 32 41 1 34 36 1 34 40 1 36 38 1 41 37 -2 38 41 1 39 40 1 39 41 1', '41 43 H 19.02 -10.73 C 20.20 -5.30 C 17.79 -6.78 C 10.49 -11.06 C 14.13 -16.03 C 22.05 -17.54 C 23.98 -14.14 C 22.71 -11.06 C 21.31 -10.08 O 15.33 -13.95 O 19.63 -17.54 O 22.90 -16.41 O 14.13 -13.17 O 22.71 -13.95 C 20.20 -6.70 C 16.56 -13.23 C 11.71 -11.76 C 19.09 -8.84 C 12.91 -11.06 C 20.20 -9.57 C 17.79 -11.06 O 15.33 -11.06 O 16.56 -16.03 O 20.83 -15.46 O 21.58 -14.48 O 19.17 -15.46 C 19.09 -7.43 C 15.33 -15.32 C 20.83 -16.84 C 22.90 -15.00 C 14.13 -11.76 C 17.79 -13.95 C 16.56 -11.76 C 21.51 -11.76 C 17.79 -15.32 C 21.51 -13.23 C 19.84 -14.48 C 20.26 -13.95 C 19.02 -11.76 C 20.20 -11.06 C 19.02 -13.23 39 1 -2 2 15 2 3 27 2 4 17 1 5 28 1 6 29 1 7 30 1 34 8 -2 40 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 36 14 -1 15 27 1 16 32 2 16 33 1 17 19 1 18 20 1 18 27 1 19 31 1 20 40 1 21 33 1 21 39 1 22 31 1 33 22 -2 23 28 1 35 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -2 26 35 1 26 37 1 32 35 1 32 41 1 34 36 1 34 40 1 36 38 1 41 37 -2 38 41 1 39 40 1 39 41 1', '41 43 H 19.02 -10.73 C:112 20.20 -5.30 C:116 17.79 -6.78 C:14 10.49 -11.06 C:21 14.13 -16.03 C:22 22.05 -17.54 C:21 23.98 -14.14 C:11 22.71 -11.06 C:26 21.31 -10.08 O 15.33 -13.95 O 19.63 -17.54 O 22.90 -16.41 O 14.13 -13.17 O 22.71 -13.95 C:141 20.20 -6.70 C:124 16.56 -13.23 C:19 11.71 -11.76 C:24 19.09 -8.84 C:36 12.91 -11.06 C:29 20.20 -9.57 C:27 17.79 -11.06 O 15.33 -11.06 O 16.56 -16.03 O 20.83 -15.46 O 21.58 -14.48 O 19.17 -15.46 C:145 19.09 -7.43 C:170 15.33 -15.32 C:169 20.83 -16.84 C:171 22.90 -15.00 C:172 14.13 -11.76 C:144 17.79 -13.95 C:66 16.56 -11.76 C:43 21.51 -11.76 C:95 17.79 -15.32 C:71 21.51 -13.23 C:99 19.84 -14.48 C:77 20.26 -13.95 C:37 19.02 -11.76 C:39 20.20 -11.06 C:53 19.02 -13.23 39 1 -2 2 15 2 3 27 2 4 17 1 5 28 1 6 29 1 7 30 1 34 8 -2 40 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 36 14 -1 15 27 1 16 32 2 16 33 1 17 19 1 18 20 1 18 27 1 19 31 1 20 40 1 21 33 1 21 39 1 22 31 1 33 22 -2 23 28 1 35 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -2 26 35 1 26 37 1 32 35 1 32 41 1 34 36 1 34 40 1 36 38 1 41 37 -2 38 41 1 39 40 1 39 41 1', 'C30H42O10', 562.323, 'B', 'np07_206_3', 3713, '', '', '1', 47, NULL, NULL),
(14557, 'Caseanigrescen D', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](O)C[C@@H](C)[C@@]3(C)CCC(=C)C=C', '[H][C@@:37]23[CH2:27][C@@H:67](O[C:172](=O)[CH2:36][CH2:19][CH3:14])[CH:121]=[C:146]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:98](O[C:169]([CH3:22])=O)[C@:54]12[C@@H:73](O)[CH2:37][C@@H:37]([CH3:16])[C@@:37]3([CH3:25])[CH2:28][CH2:24][C:146](=[CH2:116])[CH:141]=[CH2:112]', '37 39 H 19.64 -10.72 C:15 20.82 -5.30 C:16 18.41 -6.78 C:2004 11.12 -11.06 C:18002 14.75 -16.03 C:19002 22.67 -17.54 C:17 23.33 -11.06 C:20 21.93 -10.07 O 15.95 -13.95 O 20.25 -17.54 O 14.75 -13.17 O 22.20 -14.48 C:14 20.82 -6.70 C:3 17.18 -13.23 C:2003 12.34 -11.76 C:2002 13.54 -11.06 C:12 19.71 -8.83 C:11 20.82 -9.56 C:7 22.13 -13.23 C:1 18.41 -11.06 O 15.95 -11.06 O 17.18 -16.03 O 21.45 -15.46 O 19.79 -15.46 C:13 19.71 -7.43 C:18001 15.95 -15.32 C:19001 21.45 -16.84 C:2001 14.75 -11.76 C:4 18.41 -13.95 C:8 22.13 -11.76 C:2 17.18 -11.76 C:6 20.88 -13.95 C:18 18.41 -15.32 C:19 20.46 -14.48 C:10 19.64 -11.76 C:9 20.82 -11.06 C:5 19.64 -13.23 35 1 -2 2 13 2 3 25 2 4 15 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 26 2 10 27 2 11 28 2 32 12 -2 13 25 1 14 29 2 14 31 1 15 16 1 16 28 1 17 18 1 17 25 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -2 22 26 1 33 22 -2 23 27 1 34 23 -2 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 19.64 -10.72 C 20.82 -5.30 C 18.41 -6.78 C 11.12 -11.06 C 14.75 -16.03 C 22.67 -17.54 C 23.33 -11.06 C 21.93 -10.07 O 15.95 -13.95 O 20.25 -17.54 O 14.75 -13.17 O 22.20 -14.48 C 20.82 -6.70 C 17.18 -13.23 C 12.34 -11.76 C 13.54 -11.06 C 19.71 -8.83 C 20.82 -9.56 C 22.13 -13.23 C 18.41 -11.06 O 15.95 -11.06 O 17.18 -16.03 O 21.45 -15.46 O 19.79 -15.46 C 19.71 -7.43 C 15.95 -15.32 C 21.45 -16.84 C 14.75 -11.76 C 18.41 -13.95 C 22.13 -11.76 C 17.18 -11.76 C 20.88 -13.95 C 18.41 -15.32 C 20.46 -14.48 C 19.64 -11.76 C 20.82 -11.06 C 19.64 -13.23 35 1 -2 2 13 2 3 25 2 4 15 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 26 2 10 27 2 11 28 2 32 12 -2 13 25 1 14 29 2 14 31 1 15 16 1 16 28 1 17 18 1 17 25 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -2 22 26 1 33 22 -2 23 27 1 34 23 -2 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 19.64 -10.72 C:112 20.82 -5.30 C:116 18.41 -6.78 C:14 11.12 -11.06 C:21 14.75 -16.03 C:22 22.67 -17.54 C:16 23.33 -11.06 C:25 21.93 -10.07 O 15.95 -13.95 O 20.25 -17.54 O 14.75 -13.17 O 22.20 -14.48 C:141 20.82 -6.70 C:121 17.18 -13.23 C:19 12.34 -11.76 C:36 13.54 -11.06 C:24 19.71 -8.83 C:28 20.82 -9.56 C:37 22.13 -13.23 C:27 18.41 -11.06 O 15.95 -11.06 O 17.18 -16.03 O 21.45 -15.46 O 19.79 -15.46 C:146 19.71 -7.43 C:170 15.95 -15.32 C:169 21.45 -16.84 C:172 14.75 -11.76 C:146 18.41 -13.95 C:37 22.13 -11.76 C:67 17.18 -11.76 C:73 20.88 -13.95 C:96 18.41 -15.32 C:98 20.46 -14.48 C:37 19.64 -11.76 C:37 20.82 -11.06 C:54 19.64 -13.23 35 1 -2 2 13 2 3 25 2 4 15 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 26 2 10 27 2 11 28 2 32 12 -2 13 25 1 14 29 2 14 31 1 15 16 1 16 28 1 17 18 1 17 25 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -2 22 26 1 33 22 -2 23 27 1 34 23 -2 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', 'C28H40O8', 504.303, 'B', 'np07_206_4', 3713, '', '', '1', 47, NULL, NULL),
(14558, 'Caseanigrescen A-2', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]([CH:18]=O)[C@:5]1([CH:19]=O)[C@@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@@]12C[C@@H](OC(=O)CCC)C=C(C=O)[C@]1(C=O)[C@@H](O)[C@H](OC(C)=O)[C@@H](C)[C@@]2(C)CCC(=C)C=C', '[H][C@@:40]12[CH2:26][C@@H:65](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[CH:147]=[C:147]([CH:195]=O)[C@:56]1([CH:200]=O)[C@@H:75](O)[C@H:76](O[C:171]([CH3:21])=O)[C@@H:39]([CH3:11])[C@@:39]2([CH3:26])[CH2:34][CH2:24][C:146](=[CH2:117])[CH:139]=[CH2:113]', '34 35 H 18.48 -11.44 C:15 19.69 -6.17 C:16 17.25 -7.57 C:2004 9.96 -11.78 C:7002 24.58 -14.61 C:17 22.16 -11.78 C:20 20.77 -10.81 O 16.03 -16.72 O 19.69 -16.02 O 23.36 -12.48 O 13.59 -13.87 O 20.69 -15.60 C:14 19.69 -7.57 C:18 17.25 -16.02 C:19 18.48 -15.32 C:3 16.03 -13.87 C:2003 11.18 -12.48 C:2002 12.38 -11.78 C:12 18.48 -9.63 C:11 19.69 -10.32 C:1 17.25 -11.78 O 14.80 -11.78 O 22.16 -14.61 C:13 18.48 -8.25 C:7001 23.36 -13.87 C:2001 13.59 -12.48 C:4 17.25 -14.61 C:2 16.03 -12.48 C:8 20.95 -12.48 C:6 19.69 -14.61 C:7 20.95 -13.87 C:10 18.48 -12.48 C:9 19.69 -11.78 C:5 18.48 -13.87 32 1 -2 2 13 2 3 24 2 4 17 1 5 25 1 29 6 -2 33 7 -1 8 14 2 9 15 2 10 25 2 11 26 2 30 12 -2 13 24 1 14 27 1 34 15 -2 16 27 2 16 28 1 17 18 1 18 26 1 19 20 1 19 24 1 20 33 1 21 28 1 21 32 1 22 26 1 28 22 -2 23 25 1 31 23 -1 27 34 1 29 31 1 29 33 1 30 31 1 30 34 1 32 33 1 32 34 1', '34 35 H 18.48 -11.44 C 19.69 -6.17 C 17.25 -7.57 C 9.96 -11.78 C 24.58 -14.61 C 22.16 -11.78 C 20.77 -10.81 O 16.03 -16.72 O 19.69 -16.02 O 23.36 -12.48 O 13.59 -13.87 O 20.69 -15.60 C 19.69 -7.57 C 17.25 -16.02 C 18.48 -15.32 C 16.03 -13.87 C 11.18 -12.48 C 12.38 -11.78 C 18.48 -9.63 C 19.69 -10.32 C 17.25 -11.78 O 14.80 -11.78 O 22.16 -14.61 C 18.48 -8.25 C 23.36 -13.87 C 13.59 -12.48 C 17.25 -14.61 C 16.03 -12.48 C 20.95 -12.48 C 19.69 -14.61 C 20.95 -13.87 C 18.48 -12.48 C 19.69 -11.78 C 18.48 -13.87 32 1 -2 2 13 2 3 24 2 4 17 1 5 25 1 29 6 -2 33 7 -1 8 14 2 9 15 2 10 25 2 11 26 2 30 12 -2 13 24 1 14 27 1 34 15 -2 16 27 2 16 28 1 17 18 1 18 26 1 19 20 1 19 24 1 20 33 1 21 28 1 21 32 1 22 26 1 28 22 -2 23 25 1 31 23 -1 27 34 1 29 31 1 29 33 1 30 31 1 30 34 1 32 33 1 32 34 1', '34 35 H 18.48 -11.44 C:113 19.69 -6.17 C:117 17.25 -7.57 C:14 9.96 -11.78 C:21 24.58 -14.61 C:11 22.16 -11.78 C:26 20.77 -10.81 O 16.03 -16.72 O 19.69 -16.02 O 23.36 -12.48 O 13.59 -13.87 O 20.69 -15.60 C:139 19.69 -7.57 C:195 17.25 -16.02 C:200 18.48 -15.32 C:147 16.03 -13.87 C:19 11.18 -12.48 C:36 12.38 -11.78 C:24 18.48 -9.63 C:34 19.69 -10.32 C:26 17.25 -11.78 O 14.80 -11.78 O 22.16 -14.61 C:146 18.48 -8.25 C:171 23.36 -13.87 C:173 13.59 -12.48 C:147 17.25 -14.61 C:65 16.03 -12.48 C:39 20.95 -12.48 C:75 19.69 -14.61 C:76 20.95 -13.87 C:40 18.48 -12.48 C:39 19.69 -11.78 C:56 18.48 -13.87 32 1 -2 2 13 2 3 24 2 4 17 1 5 25 1 29 6 -2 33 7 -1 8 14 2 9 15 2 10 25 2 11 26 2 30 12 -2 13 24 1 14 27 1 34 15 -2 16 27 2 16 28 1 17 18 1 18 26 1 19 20 1 19 24 1 20 33 1 21 28 1 21 32 1 22 26 1 28 22 -2 23 25 1 31 23 -1 27 34 1 29 31 1 29 33 1 30 31 1 30 34 1 32 33 1 32 34 1', 'C26H36O7', 460.282, 'C', 'np07_206_6', 3713, '', '', '1', 47, NULL, NULL),
(14559, 'Caseanigrescen D-2', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]([CH:18]=O)[C@:5]1([CH:19]=O)[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@@]12C[C@@H](OC(=O)CCC)C=C(C=O)[C@]1(C=O)[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=C)C=C', '[H][C@@:41]12[CH2:26][C@@H:65](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[CH:149]=[C:149]([CH:196]=O)[C@:56]1([CH:202]=O)[C@@H:72](O)[CH2:37][C@@H:35]([CH3:15])[C@@:38]2([CH3:26])[CH2:32][CH2:23][C:146](=[CH2:116])[CH:139]=[CH2:113]', '30 31 H 19.68 -11.40 C:15 20.89 -6.12 C:16 18.45 -7.52 C:2004 11.15 -11.74 C:17 23.37 -11.74 C:20 21.98 -10.77 O 17.23 -16.68 O 20.89 -15.98 O 14.79 -13.83 O 21.90 -15.56 C:14 20.89 -7.52 C:18 18.45 -15.98 C:19 19.68 -15.28 C:3 17.23 -13.83 C:2003 12.37 -12.44 C:2002 13.58 -11.74 C:12 19.68 -9.59 C:11 20.89 -10.28 C:7 22.16 -13.83 C:1 18.45 -11.74 O 16.00 -11.74 C:13 19.68 -8.21 C:2001 14.79 -12.44 C:4 18.45 -14.57 C:8 22.16 -12.44 C:2 17.23 -12.44 C:6 20.89 -14.57 C:10 19.68 -12.44 C:9 20.89 -11.74 C:5 19.68 -13.83 28 1 -2 2 11 2 3 22 2 4 15 1 25 5 -2 29 6 -1 7 12 2 8 13 2 9 23 2 27 10 -2 11 22 1 12 24 1 30 13 -2 14 24 2 14 26 1 15 16 1 16 23 1 17 18 1 17 22 1 18 29 1 19 25 1 19 27 1 20 26 1 20 28 1 21 23 1 26 21 -2 24 30 1 25 29 1 27 30 1 28 29 1 28 30 1', '30 31 H 19.68 -11.40 C 20.89 -6.12 C 18.45 -7.52 C 11.15 -11.74 C 23.37 -11.74 C 21.98 -10.77 O 17.23 -16.68 O 20.89 -15.98 O 14.79 -13.83 O 21.90 -15.56 C 20.89 -7.52 C 18.45 -15.98 C 19.68 -15.28 C 17.23 -13.83 C 12.37 -12.44 C 13.58 -11.74 C 19.68 -9.59 C 20.89 -10.28 C 22.16 -13.83 C 18.45 -11.74 O 16.00 -11.74 C 19.68 -8.21 C 14.79 -12.44 C 18.45 -14.57 C 22.16 -12.44 C 17.23 -12.44 C 20.89 -14.57 C 19.68 -12.44 C 20.89 -11.74 C 19.68 -13.83 28 1 -2 2 11 2 3 22 2 4 15 1 25 5 -2 29 6 -1 7 12 2 8 13 2 9 23 2 27 10 -2 11 22 1 12 24 1 30 13 -2 14 24 2 14 26 1 15 16 1 16 23 1 17 18 1 17 22 1 18 29 1 19 25 1 19 27 1 20 26 1 20 28 1 21 23 1 26 21 -2 24 30 1 25 29 1 27 30 1 28 29 1 28 30 1', '30 31 H 19.68 -11.40 C:113 20.89 -6.12 C:116 18.45 -7.52 C:14 11.15 -11.74 C:15 23.37 -11.74 C:26 21.98 -10.77 O 17.23 -16.68 O 20.89 -15.98 O 14.79 -13.83 O 21.90 -15.56 C:139 20.89 -7.52 C:196 18.45 -15.98 C:202 19.68 -15.28 C:149 17.23 -13.83 C:19 12.37 -12.44 C:36 13.58 -11.74 C:23 19.68 -9.59 C:32 20.89 -10.28 C:37 22.16 -13.83 C:26 18.45 -11.74 O 16.00 -11.74 C:146 19.68 -8.21 C:173 14.79 -12.44 C:149 18.45 -14.57 C:35 22.16 -12.44 C:65 17.23 -12.44 C:72 20.89 -14.57 C:41 19.68 -12.44 C:38 20.89 -11.74 C:56 19.68 -13.83 28 1 -2 2 11 2 3 22 2 4 15 1 25 5 -2 29 6 -1 7 12 2 8 13 2 9 23 2 27 10 -2 11 22 1 12 24 1 30 13 -2 14 24 2 14 26 1 15 16 1 16 23 1 17 18 1 17 22 1 18 29 1 19 25 1 19 27 1 20 26 1 20 28 1 21 23 1 26 21 -2 24 30 1 25 29 1 27 30 1 28 29 1 28 30 1', 'C24H34O5', 402.262, 'C', 'np07_206_7', 3713, '', '', '1', 47, NULL, NULL),
(14560, '18-Hydroxyaylthonic acid', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O)[C@:5]1([CH3:19])[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C:12](=O)O', '[H][C@]12CCC=C(CO)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CC(=O)O', '[H][C@:47]12[CH2:19][CH2:27][CH:126]=[C:148]([CH2:66]O)[C@:45]1([CH3:17])[C@@H:75](O)[CH2:37][C@@H:36]([CH3:16])[C@:41]2([CH3:18])[CH2:44][C:174](=O)O', '21 22 H 16.63 -10.38 C:17 20.32 -10.69 C:20 18.92 -9.75 C:19 16.63 -14.25 O 15.40 -9.28 O 14.18 -15.65 O 16.63 -7.17 O 17.88 -14.94 C:3 14.18 -12.83 C:18 15.40 -14.95 C:2 14.18 -11.41 C:1 15.40 -10.69 C:7 19.10 -12.83 C:11 17.88 -9.26 C:12 16.63 -8.57 C:4 15.40 -13.54 C:8 19.10 -11.41 C:6 17.85 -13.54 C:10 16.63 -11.41 C:9 17.88 -10.69 C:5 16.63 -12.83 19 1 -1 17 2 -2 20 3 -2 21 4 -2 5 15 2 6 10 1 7 15 1 18 8 -2 9 11 1 9 16 2 10 16 1 11 12 1 12 19 1 13 17 1 13 18 1 14 15 1 14 20 1 16 21 1 17 20 1 18 21 1 19 20 1 19 21 1', '21 22 H 16.63 -10.38 C 20.32 -10.69 C 18.92 -9.75 C 16.63 -14.25 O 15.40 -9.28 O 14.18 -15.65 O 16.63 -7.17 O 17.88 -14.94 C 14.18 -12.83 C 15.40 -14.95 C 14.18 -11.41 C 15.40 -10.69 C 19.10 -12.83 C 17.88 -9.26 C 16.63 -8.57 C 15.40 -13.54 C 19.10 -11.41 C 17.85 -13.54 C 16.63 -11.41 C 17.88 -10.69 C 16.63 -12.83 19 1 -1 17 2 -2 20 3 -2 21 4 -2 5 15 2 6 10 1 7 15 1 18 8 -2 9 11 1 9 16 2 10 16 1 11 12 1 12 19 1 13 17 1 13 18 1 14 15 1 14 20 1 16 21 1 17 20 1 18 21 1 19 20 1 19 21 1', '21 22 H 16.63 -10.38 C:16 20.32 -10.69 C:18 18.92 -9.75 C:17 16.63 -14.25 O 15.40 -9.28 O 14.18 -15.65 O 16.63 -7.17 O 17.88 -14.94 C:126 14.18 -12.83 C:66 15.40 -14.95 C:27 14.18 -11.41 C:19 15.40 -10.69 C:37 19.10 -12.83 C:44 17.88 -9.26 C:174 16.63 -8.57 C:148 15.40 -13.54 C:36 19.10 -11.41 C:75 17.85 -13.54 C:47 16.63 -11.41 C:41 17.88 -10.69 C:45 16.63 -12.83 19 1 -1 17 2 -2 20 3 -2 21 4 -2 5 15 2 6 10 1 7 15 1 18 8 -2 9 11 1 9 16 2 10 16 1 11 12 1 12 19 1 13 17 1 13 18 1 14 15 1 14 20 1 16 21 1 17 20 1 18 21 1 19 20 1 19 21 1', 'C16H26O4', 282.177, 'P', 'np07_265_1', 3714, '', '', '1', 47, NULL, NULL),
(14561, '18-Oxo-Aylthonic acid', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH:18]=O)[C@:5]1([CH3:19])[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C:12](=O)O', '[H][C@]12CCC=C(C=O)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CC(=O)O', '[H][C@:47]12[CH2:19][CH2:29][CH:158]=[C:151]([CH:198]=O)[C@:45]1([CH3:17])[C@@H:74](O)[CH2:37][C@@H:36]([CH3:16])[C@:40]2([CH3:17])[CH2:44][C:174](=O)O', '21 22 H 16.63 -10.38 C:17 20.32 -10.69 C:20 18.92 -9.75 C:19 16.63 -14.25 O 14.18 -15.65 O 15.40 -9.28 O 16.63 -7.17 O 17.88 -14.95 C:18 15.40 -14.95 C:3 14.18 -12.83 C:2 14.18 -11.41 C:1 15.40 -10.69 C:7 19.10 -12.83 C:11 17.88 -9.28 C:12 16.63 -8.57 C:4 15.40 -13.54 C:8 19.10 -11.41 C:6 17.88 -13.54 C:10 16.63 -11.41 C:9 17.88 -10.69 C:5 16.63 -12.83 19 1 -1 17 2 -2 20 3 -2 21 4 -2 5 9 2 6 15 2 7 15 1 18 8 -2 9 16 1 10 11 1 10 16 2 11 12 1 12 19 1 13 17 1 13 18 1 14 15 1 14 20 1 16 21 1 17 20 1 18 21 1 19 20 1 19 21 1', '21 22 H 16.63 -10.38 C 20.32 -10.69 C 18.92 -9.75 C 16.63 -14.25 O 14.18 -15.65 O 15.40 -9.28 O 16.63 -7.17 O 17.88 -14.95 C 15.40 -14.95 C 14.18 -12.83 C 14.18 -11.41 C 15.40 -10.69 C 19.10 -12.83 C 17.88 -9.28 C 16.63 -8.57 C 15.40 -13.54 C 19.10 -11.41 C 17.88 -13.54 C 16.63 -11.41 C 17.88 -10.69 C 16.63 -12.83 19 1 -1 17 2 -2 20 3 -2 21 4 -2 5 9 2 6 15 2 7 15 1 18 8 -2 9 16 1 10 11 1 10 16 2 11 12 1 12 19 1 13 17 1 13 18 1 14 15 1 14 20 1 16 21 1 17 20 1 18 21 1 19 20 1 19 21 1', '21 22 H 16.63 -10.38 C:16 20.32 -10.69 C:17 18.92 -9.75 C:17 16.63 -14.25 O 14.18 -15.65 O 15.40 -9.28 O 16.63 -7.17 O 17.88 -14.95 C:198 15.40 -14.95 C:158 14.18 -12.83 C:29 14.18 -11.41 C:19 15.40 -10.69 C:37 19.10 -12.83 C:44 17.88 -9.28 C:174 16.63 -8.57 C:151 15.40 -13.54 C:36 19.10 -11.41 C:74 17.88 -13.54 C:47 16.63 -11.41 C:40 17.88 -10.69 C:45 16.63 -12.83 19 1 -1 17 2 -2 20 3 -2 21 4 -2 5 9 2 6 15 2 7 15 1 18 8 -2 9 16 1 10 11 1 10 16 2 11 12 1 12 19 1 13 17 1 13 18 1 14 15 1 14 20 1 16 21 1 17 20 1 18 21 1 19 20 1 19 21 1', 'C16H24O4', 280.177, 'P', 'np07_265_2', 3714, '', '', '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
(14562, '6-O-[β-D-glucopyranosyl-(1-->4)-α-Lrhamnopyranosyl]-(13E)-cleroda-3,13-dien-15-ol', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]14[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C@@H:101]3O[C@@H:105]([CH3:106])[C@H:104](O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@@H:103](O)[C@H:102]3O)[CH2:7][C@@H:8]([CH3:17])[C@:9]4([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O', '[H][C@]14CCC=C(C)[C@]1(C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]3O)C[C@@H](C)[C@]4(C)CCC(C)=CCO', '[H][C@:46]14[CH2:18][CH2:27][CH:123]=[C:144]([CH3:23])[C@:44]1([CH3:16])[C@@H:86](O[C@@H:103]3O[C@@H:68]([CH3:18])[C@H:85](O[C@@H:107]2O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:77]2O)[C@@H:73](O)[C@H:72]3O)[CH2:35][C@@H:34]([CH3:16])[C@:39]4([CH3:18])[CH2:37][CH2:26][C:140]([CH3:23])=[CH:127][CH2:59]O', '44 47 H 14.26 -7.83 C:16 13.03 -3.99 C:18 13.03 -12.44 C:106 20.25 -12.57 C:17 17.93 -8.14 C:20 16.58 -7.20 C:19 14.26 -11.71 O 16.58 -1.85 O 16.58 -18.87 O 22.66 -19.56 O 20.25 -20.95 O 22.66 -16.69 O 15.41 -15.26 O 17.82 -16.69 C:14 15.41 -3.99 C:3 11.81 -10.29 C:15 15.41 -2.55 C:2 11.81 -8.86 C:206 17.82 -19.56 C:12 14.26 -6.03 C:1 13.03 -8.14 C:11 15.41 -6.71 C:7 16.75 -10.29 O 17.82 -12.51 O 19.03 -17.45 O 15.41 -12.44 O 20.25 -15.36 C:13 14.26 -4.66 C:4 13.03 -10.99 C:105 19.03 -13.22 C:8 16.75 -8.86 C:203 21.45 -18.87 C:204 20.25 -19.56 C:202 21.45 -17.45 C:102 16.58 -14.57 C:103 17.82 -15.26 C:205 19.03 -18.87 C:101 16.58 -13.15 C:201 20.25 -16.75 C:6 15.41 -10.99 C:104 19.03 -14.64 C:10 14.26 -8.86 C:9 15.41 -8.14 C:5 14.26 -10.29 42 1 -1 2 28 1 3 29 1 30 4 -1 31 5 -2 43 6 -2 44 7 -2 8 17 1 9 19 1 32 10 -1 33 11 -2 34 12 -2 35 13 -1 36 14 -1 15 17 1 15 28 2 16 18 1 16 29 2 18 21 1 37 19 -1 20 22 1 20 28 1 21 42 1 22 43 1 23 31 1 23 40 1 24 30 1 24 38 1 25 37 1 25 39 1 38 26 -2 40 26 -2 39 27 -1 41 27 -2 29 44 1 30 41 1 31 43 1 32 33 1 32 34 1 33 37 1 34 39 1 35 36 1 35 38 1 36 41 1 40 44 1 42 43 1 42 44 1', '44 47 H 14.26 -7.83 C 13.03 -3.99 C 13.03 -12.44 C 20.25 -12.57 C 17.93 -8.14 C 16.58 -7.20 C 14.26 -11.71 O 16.58 -1.85 O 16.58 -18.87 O 22.66 -19.56 O 20.25 -20.95 O 22.66 -16.69 O 15.41 -15.26 O 17.82 -16.69 C 15.41 -3.99 C 11.81 -10.29 C 15.41 -2.55 C 11.81 -8.86 C 17.82 -19.56 C 14.26 -6.03 C 13.03 -8.14 C 15.41 -6.71 C 16.75 -10.29 O 17.82 -12.51 O 19.03 -17.45 O 15.41 -12.44 O 20.25 -15.36 C 14.26 -4.66 C 13.03 -10.99 C 19.03 -13.22 C 16.75 -8.86 C 21.45 -18.87 C 20.25 -19.56 C 21.45 -17.45 C 16.58 -14.57 C 17.82 -15.26 C 19.03 -18.87 C 16.58 -13.15 C 20.25 -16.75 C 15.41 -10.99 C 19.03 -14.64 C 14.26 -8.86 C 15.41 -8.14 C 14.26 -10.29 42 1 -1 2 28 1 3 29 1 30 4 -1 31 5 -2 43 6 -2 44 7 -2 8 17 1 9 19 1 32 10 -1 33 11 -2 34 12 -2 35 13 -1 36 14 -1 15 17 1 15 28 2 16 18 1 16 29 2 18 21 1 37 19 -1 20 22 1 20 28 1 21 42 1 22 43 1 23 31 1 23 40 1 24 30 1 24 38 1 25 37 1 25 39 1 38 26 -2 40 26 -2 39 27 -1 41 27 -2 29 44 1 30 41 1 31 43 1 32 33 1 32 34 1 33 37 1 34 39 1 35 36 1 35 38 1 36 41 1 40 44 1 42 43 1 42 44 1', '44 47 H 14.26 -7.83 C:23 13.03 -3.99 C:23 13.03 -12.44 C:18 20.25 -12.57 C:16 17.93 -8.14 C:18 16.58 -7.20 C:16 14.26 -11.71 O 16.58 -1.85 O 16.58 -18.87 O 22.66 -19.56 O 20.25 -20.95 O 22.66 -16.69 O 15.41 -15.26 O 17.82 -16.69 C:127 15.41 -3.99 C:123 11.81 -10.29 C:59 15.41 -2.55 C:27 11.81 -8.86 C:63 17.82 -19.56 C:26 14.26 -6.03 C:18 13.03 -8.14 C:37 15.41 -6.71 C:35 16.75 -10.29 O 17.82 -12.51 O 19.03 -17.45 O 15.41 -12.44 O 20.25 -15.36 C:140 14.26 -4.66 C:144 13.03 -10.99 C:68 19.03 -13.22 C:34 16.75 -8.86 C:79 21.45 -18.87 C:72 20.25 -19.56 C:77 21.45 -17.45 C:72 16.58 -14.57 C:73 17.82 -15.26 C:79 19.03 -18.87 C:103 16.58 -13.15 C:107 20.25 -16.75 C:86 15.41 -10.99 C:85 19.03 -14.64 C:46 14.26 -8.86 C:39 15.41 -8.14 C:44 14.26 -10.29 42 1 -1 2 28 1 3 29 1 30 4 -1 31 5 -2 43 6 -2 44 7 -2 8 17 1 9 19 1 32 10 -1 33 11 -2 34 12 -2 35 13 -1 36 14 -1 15 17 1 15 28 2 16 18 1 16 29 2 18 21 1 37 19 -1 20 22 1 20 28 1 21 42 1 22 43 1 23 31 1 23 40 1 24 30 1 24 38 1 25 37 1 25 39 1 38 26 -2 40 26 -2 39 27 -1 41 27 -2 29 44 1 30 41 1 31 43 1 32 33 1 32 34 1 33 37 1 34 39 1 35 36 1 35 38 1 36 41 1 40 44 1 42 43 1 42 44 1', 'C32H54O11', 614.344, 'P', 'np07_265_6', 3714, '', '', '1', 47, NULL, NULL),
(14563, '12(S),16ξ-Dihydroxycleroda-3,13-dien-15,16-olide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C@H:12](O)[C:13]3=[CH:14][C:15](=O)O[CH:16]3O', '[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)C[C@H](O)C3=CC(=O)OC3O', '[H][C@:47]12[CH2:19][CH2:27][CH:121]=[C:144]([CH3:18])[C@:38]1([CH3:20])[CH2:37][CH2:28][C@@H:37]([CH3:16])[C@:40]2([CH3:18])[CH2:43][C@H:65](O)[C:174]3=[CH:117][C:172](=O)O[CH:98]3O', '25 27 H 16.61 -12.43 C:18 15.39 -17.00 C:17 20.29 -12.73 C:19 16.61 -16.30 C:20 18.89 -11.80 O 18.12 -5.88 O 15.39 -11.27 O 14.15 -8.78 C:3 14.15 -14.87 C:14 17.74 -8.35 C:2 14.15 -13.45 C:7 19.08 -14.87 C:1 15.39 -12.73 C:6 17.82 -15.58 C:11 17.82 -11.32 O 15.90 -7.02 C:15 17.31 -7.02 C:4 15.39 -15.58 C:13 16.61 -9.18 C:8 19.08 -13.45 C:12 16.61 -10.59 C:16 15.47 -8.35 C:5 16.61 -14.87 C:10 16.61 -13.45 C:9 17.82 -12.73 24 1 -1 2 18 1 20 3 -2 23 4 -2 25 5 -2 6 17 2 21 7 -2 8 22 1 9 11 1 9 18 2 10 17 1 10 19 2 11 13 1 12 14 1 12 20 1 13 24 1 14 23 1 15 21 1 15 25 1 16 17 1 16 22 1 18 23 1 19 21 1 19 22 1 20 25 1 23 24 1 24 25 1', '25 27 H 16.61 -12.43 C 15.39 -17.00 C 20.29 -12.73 C 16.61 -16.30 C 18.89 -11.80 O 18.12 -5.88 O 15.39 -11.27 O 14.15 -8.78 C 14.15 -14.87 C 17.74 -8.35 C 14.15 -13.45 C 19.08 -14.87 C 15.39 -12.73 C 17.82 -15.58 C 17.82 -11.32 O 15.90 -7.02 C 17.31 -7.02 C 15.39 -15.58 C 16.61 -9.18 C 19.08 -13.45 C 16.61 -10.59 C 15.47 -8.35 C 16.61 -14.87 C 16.61 -13.45 C 17.82 -12.73 24 1 -1 2 18 1 20 3 -2 23 4 -2 25 5 -2 6 17 2 21 7 -2 8 22 1 9 11 1 9 18 2 10 17 1 10 19 2 11 13 1 12 14 1 12 20 1 13 24 1 14 23 1 15 21 1 15 25 1 16 17 1 16 22 1 18 23 1 19 21 1 19 22 1 20 25 1 23 24 1 24 25 1', '25 27 H 16.61 -12.43 C:18 15.39 -17.00 C:16 20.29 -12.73 C:20 16.61 -16.30 C:18 18.89 -11.80 O 18.12 -5.88 O 15.39 -11.27 O 14.15 -8.78 C:121 14.15 -14.87 C:117 17.74 -8.35 C:27 14.15 -13.45 C:28 19.08 -14.87 C:19 15.39 -12.73 C:37 17.82 -15.58 C:43 17.82 -11.32 O 15.90 -7.02 C:172 17.31 -7.02 C:144 15.39 -15.58 C:174 16.61 -9.18 C:37 19.08 -13.45 C:65 16.61 -10.59 C:98 15.47 -8.35 C:38 16.61 -14.87 C:47 16.61 -13.45 C:40 17.82 -12.73 24 1 -1 2 18 1 20 3 -2 23 4 -2 25 5 -2 6 17 2 21 7 -2 8 22 1 9 11 1 9 18 2 10 17 1 10 19 2 11 13 1 12 14 1 12 20 1 13 24 1 14 23 1 15 21 1 15 25 1 16 17 1 16 22 1 18 23 1 19 21 1 19 22 1 20 25 1 23 24 1 24 25 1', 'C20H30O4', 334.22, 'C', 'np07_372_1', 3715, '', '', '1', 47, NULL, NULL),
(14564, '12(S)-Hydroxy-16ξ-methoxycleroda-3,13-dien-15,16-olide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C@H:12](O)[C:13]3=[CH:14][C:15](=O)O[CH:16]3O[CH3:16001]', '[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)C[C@H](O)C3=CC(=O)OC3OC', '[H][C@:47]12[CH2:19][CH2:27][CH:121]=[C:144]([CH3:18])[C@:38]1([CH3:18])[CH2:37][CH2:28][C@@H:37]([CH3:58])[C@:40]2([CH3:20])[CH2:43][C@H:65](O)[C:171]3=[CH:118][C:170](=O)O[CH:103]3O[CH3:16]', '26 28 H 17.17 -12.44 C:16001 13.67 -7.85 C:18 15.95 -17.00 C:17 20.86 -12.74 C:19 17.17 -16.30 C:20 19.46 -11.81 O 18.69 -5.88 O 15.95 -11.28 C:3 14.71 -14.87 C:14 18.30 -8.35 C:2 14.71 -13.45 C:7 19.65 -14.87 C:1 15.95 -12.74 C:6 18.38 -15.58 C:11 18.38 -11.33 O 14.71 -8.78 O 16.46 -7.02 C:15 17.87 -7.02 C:4 15.95 -15.58 C:13 17.17 -9.18 C:8 19.65 -13.45 C:12 17.17 -10.60 C:16 16.03 -8.35 C:5 17.17 -14.87 C:10 17.17 -13.45 C:9 18.38 -12.74 25 1 -1 2 16 1 3 19 1 21 4 -2 24 5 -2 26 6 -2 7 18 2 22 8 -2 9 11 1 9 19 2 10 18 1 10 20 2 11 13 1 12 14 1 12 21 1 13 25 1 14 24 1 15 22 1 15 26 1 16 23 1 17 18 1 17 23 1 19 24 1 20 22 1 20 23 1 21 26 1 24 25 1 25 26 1', '26 28 H 17.17 -12.44 C 13.67 -7.85 C 15.95 -17.00 C 20.86 -12.74 C 17.17 -16.30 C 19.46 -11.81 O 18.69 -5.88 O 15.95 -11.28 C 14.71 -14.87 C 18.30 -8.35 C 14.71 -13.45 C 19.65 -14.87 C 15.95 -12.74 C 18.38 -15.58 C 18.38 -11.33 O 14.71 -8.78 O 16.46 -7.02 C 17.87 -7.02 C 15.95 -15.58 C 17.17 -9.18 C 19.65 -13.45 C 17.17 -10.60 C 16.03 -8.35 C 17.17 -14.87 C 17.17 -13.45 C 18.38 -12.74 25 1 -1 2 16 1 3 19 1 21 4 -2 24 5 -2 26 6 -2 7 18 2 22 8 -2 9 11 1 9 19 2 10 18 1 10 20 2 11 13 1 12 14 1 12 21 1 13 25 1 14 24 1 15 22 1 15 26 1 16 23 1 17 18 1 17 23 1 19 24 1 20 22 1 20 23 1 21 26 1 24 25 1 25 26 1', '26 28 H 17.17 -12.44 C:16 13.67 -7.85 C:18 15.95 -17.00 C:58 20.86 -12.74 C:18 17.17 -16.30 C:20 19.46 -11.81 O 18.69 -5.88 O 15.95 -11.28 C:121 14.71 -14.87 C:118 18.30 -8.35 C:27 14.71 -13.45 C:28 19.65 -14.87 C:19 15.95 -12.74 C:37 18.38 -15.58 C:43 18.38 -11.33 O 14.71 -8.78 O 16.46 -7.02 C:170 17.87 -7.02 C:144 15.95 -15.58 C:171 17.17 -9.18 C:37 19.65 -13.45 C:65 17.17 -10.60 C:103 16.03 -8.35 C:38 17.17 -14.87 C:47 17.17 -13.45 C:40 18.38 -12.74 25 1 -1 2 16 1 3 19 1 21 4 -2 24 5 -2 26 6 -2 7 18 2 22 8 -2 9 11 1 9 19 2 10 18 1 10 20 2 11 13 1 12 14 1 12 21 1 13 25 1 14 24 1 15 22 1 15 26 1 16 23 1 17 18 1 17 23 1 19 24 1 20 22 1 20 23 1 21 26 1 24 25 1 25 26 1', 'C21H32O4', 348.23, 'C', 'np07_372_2', 3715, '', '', '1', 47, NULL, NULL),
(14565, '12(S)-Hydroxycleroda-3,13-dien-15,16-olide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C@H:12](O)[C:13]3=[CH:14][C:15](=O)O[CH2:16]3', '[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)C[C@H](O)C3=CC(=O)OC3', '[H][C@:48]12[CH2:20][CH2:28][CH:122]=[C:145]([CH3:18])[C@:40]1([CH3:21])[CH2:38][CH2:29][C@@H:38]([CH3:17])[C@:41]2([CH3:18])[CH2:45][C@H:66](O)[C:179]3=[CH:114][C:177](=O)O[CH2:73]3', '24 26 H 16.60 -12.43 C:18 15.38 -16.99 C:17 20.30 -12.73 C:19 16.60 -16.29 C:20 18.89 -11.80 O 18.12 -5.88 O 15.38 -11.28 C:3 14.14 -14.86 C:14 17.73 -8.35 C:2 14.14 -13.44 C:7 19.08 -14.86 C:16 15.46 -8.35 C:1 15.38 -12.73 C:6 17.81 -15.57 C:11 17.81 -11.33 O 15.89 -7.02 C:15 17.30 -7.02 C:4 15.38 -15.57 C:13 16.60 -9.18 C:8 19.08 -13.44 C:12 16.60 -10.60 C:5 16.60 -14.86 C:10 16.60 -13.44 C:9 17.81 -12.73 23 1 -1 2 18 1 20 3 -2 22 4 -2 24 5 -2 6 17 2 21 7 -2 8 10 1 8 18 2 9 17 1 9 19 2 10 13 1 11 14 1 11 20 1 12 16 1 12 19 1 13 23 1 14 22 1 15 21 1 15 24 1 16 17 1 18 22 1 19 21 1 20 24 1 22 23 1 23 24 1', '24 26 H 16.60 -12.43 C 15.38 -16.99 C 20.30 -12.73 C 16.60 -16.29 C 18.89 -11.80 O 18.12 -5.88 O 15.38 -11.28 C 14.14 -14.86 C 17.73 -8.35 C 14.14 -13.44 C 19.08 -14.86 C 15.46 -8.35 C 15.38 -12.73 C 17.81 -15.57 C 17.81 -11.33 O 15.89 -7.02 C 17.30 -7.02 C 15.38 -15.57 C 16.60 -9.18 C 19.08 -13.44 C 16.60 -10.60 C 16.60 -14.86 C 16.60 -13.44 C 17.81 -12.73 23 1 -1 2 18 1 20 3 -2 22 4 -2 24 5 -2 6 17 2 21 7 -2 8 10 1 8 18 2 9 17 1 9 19 2 10 13 1 11 14 1 11 20 1 12 16 1 12 19 1 13 23 1 14 22 1 15 21 1 15 24 1 16 17 1 18 22 1 19 21 1 20 24 1 22 23 1 23 24 1', '24 26 H 16.60 -12.43 C:18 15.38 -16.99 C:17 20.30 -12.73 C:21 16.60 -16.29 C:18 18.89 -11.80 O 18.12 -5.88 O 15.38 -11.28 C:122 14.14 -14.86 C:114 17.73 -8.35 C:28 14.14 -13.44 C:29 19.08 -14.86 C:73 15.46 -8.35 C:20 15.38 -12.73 C:38 17.81 -15.57 C:45 17.81 -11.33 O 15.89 -7.02 C:177 17.30 -7.02 C:145 15.38 -15.57 C:179 16.60 -9.18 C:38 19.08 -13.44 C:66 16.60 -10.60 C:40 16.60 -14.86 C:48 16.60 -13.44 C:41 17.81 -12.73 23 1 -1 2 18 1 20 3 -2 22 4 -2 24 5 -2 6 17 2 21 7 -2 8 10 1 8 18 2 9 17 1 9 19 2 10 13 1 11 14 1 11 20 1 12 16 1 12 19 1 13 23 1 14 22 1 15 21 1 15 24 1 16 17 1 18 22 1 19 21 1 20 24 1 22 23 1 23 24 1', 'C20H30O3', 318.22, 'M', 'np07_372_3', 3715, '', '', '1', 47, NULL, NULL),
(14566, '16ξ-Hydroxycleroda-3,11(E),13-trien-15,16-olide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH:11]=[CH:12][C:13]3=[CH:14][C:15](=O)O[CH:16]3O', '[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)C=CC3=CC(=O)OC3O', '[H][C@:52]12[CH2:21][CH2:28][CH:122]=[C:145]([CH3:18])[C@:39]1([CH3:20])[CH2:37][CH2:28][C@@H:42]([CH3:17])[C@:46]2([CH3:13])[CH:158]=[CH:121][C:164]3=[CH:116][C:174](=O)O[CH:100]3O', '24 26 H 16.65 -12.43 C:18 15.43 -16.99 C:17 20.35 -12.73 C:19 16.65 -16.29 C:20 18.94 -11.80 O 18.17 -5.88 O 14.19 -8.77 C:12 16.65 -10.60 C:3 14.19 -14.86 C:11 17.86 -11.33 C:14 17.78 -8.35 C:2 14.19 -13.44 C:7 19.13 -14.86 C:1 15.43 -12.73 C:6 17.86 -15.57 O 15.94 -7.02 C:15 17.35 -7.02 C:4 15.43 -15.57 C:13 16.65 -9.18 C:8 19.13 -13.44 C:16 15.51 -8.35 C:5 16.65 -14.86 C:10 16.65 -13.44 C:9 17.86 -12.73 23 1 -1 2 18 1 20 3 -2 22 4 -2 24 5 -2 6 17 2 7 21 1 8 10 2 8 19 1 9 12 1 9 18 2 10 24 1 11 17 1 11 19 2 12 14 1 13 15 1 13 20 1 14 23 1 15 22 1 16 17 1 16 21 1 18 22 1 19 21 1 20 24 1 22 23 1 23 24 1', '24 26 H 16.65 -12.43 C 15.43 -16.99 C 20.35 -12.73 C 16.65 -16.29 C 18.94 -11.80 O 18.17 -5.88 O 14.19 -8.77 C 16.65 -10.60 C 14.19 -14.86 C 17.86 -11.33 C 17.78 -8.35 C 14.19 -13.44 C 19.13 -14.86 C 15.43 -12.73 C 17.86 -15.57 O 15.94 -7.02 C 17.35 -7.02 C 15.43 -15.57 C 16.65 -9.18 C 19.13 -13.44 C 15.51 -8.35 C 16.65 -14.86 C 16.65 -13.44 C 17.86 -12.73 23 1 -1 2 18 1 20 3 -2 22 4 -2 24 5 -2 6 17 2 7 21 1 8 10 2 8 19 1 9 12 1 9 18 2 10 24 1 11 17 1 11 19 2 12 14 1 13 15 1 13 20 1 14 23 1 15 22 1 16 17 1 16 21 1 18 22 1 19 21 1 20 24 1 22 23 1 23 24 1', '24 26 H 16.65 -12.43 C:18 15.43 -16.99 C:17 20.35 -12.73 C:20 16.65 -16.29 C:13 18.94 -11.80 O 18.17 -5.88 O 14.19 -8.77 C:121 16.65 -10.60 C:122 14.19 -14.86 C:158 17.86 -11.33 C:116 17.78 -8.35 C:28 14.19 -13.44 C:28 19.13 -14.86 C:21 15.43 -12.73 C:37 17.86 -15.57 O 15.94 -7.02 C:174 17.35 -7.02 C:145 15.43 -15.57 C:164 16.65 -9.18 C:42 19.13 -13.44 C:100 15.51 -8.35 C:39 16.65 -14.86 C:52 16.65 -13.44 C:46 17.86 -12.73 23 1 -1 2 18 1 20 3 -2 22 4 -2 24 5 -2 6 17 2 7 21 1 8 10 2 8 19 1 9 12 1 9 18 2 10 24 1 11 17 1 11 19 2 12 14 1 13 15 1 13 20 1 14 23 1 15 22 1 16 17 1 16 21 1 18 22 1 19 21 1 20 24 1 22 23 1 23 24 1', 'C20H28O3', 316.22, 'M', 'np07_372_4', 3715, '', '', '1', 47, NULL, NULL),
(14567, '3β,12(S)-Dihydroxycleroda-4(18),13-dien-15,16-olide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][C@H:3](O)[C:4](=[CH2:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C@H:12](O)[C:13]3=[CH:14][C:15](=O)O[CH2:16]3', '[H][C@]12CC[C@H](O)C(=C)[C@]1(C)CC[C@@H](C)[C@]2(C)C[C@H](O)C3=CC(=O)OC3', '[H][C@:49]12[CH2:21][CH2:37][C@H:70](O)[C:162](=[CH2:100])[C@:40]1([CH3:21])[CH2:37][CH2:27][C@@H:37]([CH3:16])[C@:40]2([CH3:18])[CH2:44][C@H:65](O)[C:174]3=[CH:114][C:174](=O)O[CH2:71]3', '25 27 H 17.21 -12.43 C:18 15.99 -16.99 C:17 20.91 -12.73 C:19 17.21 -16.29 C:20 19.50 -11.80 O 18.73 -5.88 O 13.54 -15.55 O 15.99 -11.30 C:14 18.34 -8.35 C:16 16.07 -8.35 C:7 19.69 -14.85 C:2 14.75 -13.44 C:1 15.99 -12.73 C:6 18.42 -15.55 C:11 18.42 -11.30 O 16.50 -7.02 C:15 17.91 -7.02 C:4 15.99 -15.55 C:13 17.21 -9.18 C:8 19.69 -13.44 C:3 14.75 -14.85 C:12 17.21 -10.60 C:10 17.21 -13.44 C:5 17.21 -14.85 C:9 18.42 -12.73 23 1 -1 2 18 2 20 3 -2 24 4 -2 25 5 -2 6 17 2 21 7 -1 22 8 -2 9 17 1 9 19 2 10 16 1 10 19 1 11 14 1 11 20 1 12 13 1 12 21 1 13 23 1 14 24 1 15 22 1 15 25 1 16 17 1 18 21 1 18 24 1 19 22 1 20 25 1 23 24 1 23 25 1', '25 27 H 17.21 -12.43 C 15.99 -16.99 C 20.91 -12.73 C 17.21 -16.29 C 19.50 -11.80 O 18.73 -5.88 O 13.54 -15.55 O 15.99 -11.30 C 18.34 -8.35 C 16.07 -8.35 C 19.69 -14.85 C 14.75 -13.44 C 15.99 -12.73 C 18.42 -15.55 C 18.42 -11.30 O 16.50 -7.02 C 17.91 -7.02 C 15.99 -15.55 C 17.21 -9.18 C 19.69 -13.44 C 14.75 -14.85 C 17.21 -10.60 C 17.21 -13.44 C 17.21 -14.85 C 18.42 -12.73 23 1 -1 2 18 2 20 3 -2 24 4 -2 25 5 -2 6 17 2 21 7 -1 22 8 -2 9 17 1 9 19 2 10 16 1 10 19 1 11 14 1 11 20 1 12 13 1 12 21 1 13 23 1 14 24 1 15 22 1 15 25 1 16 17 1 18 21 1 18 24 1 19 22 1 20 25 1 23 24 1 23 25 1', '25 27 H 17.21 -12.43 C:100 15.99 -16.99 C:16 20.91 -12.73 C:21 17.21 -16.29 C:18 19.50 -11.80 O 18.73 -5.88 O 13.54 -15.55 O 15.99 -11.30 C:114 18.34 -8.35 C:71 16.07 -8.35 C:27 19.69 -14.85 C:37 14.75 -13.44 C:21 15.99 -12.73 C:37 18.42 -15.55 C:44 18.42 -11.30 O 16.50 -7.02 C:174 17.91 -7.02 C:162 15.99 -15.55 C:174 17.21 -9.18 C:37 19.69 -13.44 C:70 14.75 -14.85 C:65 17.21 -10.60 C:49 17.21 -13.44 C:40 17.21 -14.85 C:40 18.42 -12.73 23 1 -1 2 18 2 20 3 -2 24 4 -2 25 5 -2 6 17 2 21 7 -1 22 8 -2 9 17 1 9 19 2 10 16 1 10 19 1 11 14 1 11 20 1 12 13 1 12 21 1 13 23 1 14 24 1 15 22 1 15 25 1 16 17 1 18 21 1 18 24 1 19 22 1 20 25 1 23 24 1 23 25 1', 'C20H30O4', 334.22, 'C', 'np07_372_5', 3715, '', '', '1', 47, NULL, NULL),
(14568, '12(S)-Hydroxycleroda-3,13-dien-16,15-olide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C@H:12](O)[C:13]3=[CH:14][CH2:15]O[C:16]3=O', '[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)C[C@H](O)C3=CCOC3=O', '[H][C@:47]12[CH2:19][CH2:27][CH:121]=[C:144]([CH3:18])[C@:38]1([CH3:20])[CH2:37][CH2:28][C@@H:37]([CH3:16])[C@:40]2([CH3:18])[CH2:43][C@H:64](O)[C:138]3=[CH:144][CH2:70]O[C:173]3=O', '24 26 H 16.65 -11.87 C:18 15.43 -16.43 C:17 20.36 -12.17 C:19 16.65 -15.73 C:20 18.94 -11.24 O 14.19 -8.21 O 15.43 -10.74 C:3 14.19 -14.29 C:14 17.78 -7.79 C:2 14.19 -12.88 C:15 17.35 -6.46 C:7 19.13 -14.29 C:1 15.43 -12.17 C:6 17.86 -14.99 C:11 17.86 -10.74 O 15.94 -6.46 C:4 15.43 -14.99 C:16 15.51 -7.79 C:13 16.65 -8.62 C:8 19.13 -12.88 C:12 16.65 -10.04 C:5 16.65 -14.29 C:10 16.65 -12.88 C:9 17.86 -12.17 23 1 -1 2 17 1 20 3 -2 22 4 -2 24 5 -2 6 18 2 21 7 -2 8 10 1 8 17 2 9 11 1 9 19 2 10 13 1 11 16 1 12 14 1 12 20 1 13 23 1 14 22 1 15 21 1 15 24 1 16 18 1 17 22 1 18 19 1 19 21 1 20 24 1 22 23 1 23 24 1', '24 26 H 16.65 -11.87 C 15.43 -16.43 C 20.36 -12.17 C 16.65 -15.73 C 18.94 -11.24 O 14.19 -8.21 O 15.43 -10.74 C 14.19 -14.29 C 17.78 -7.79 C 14.19 -12.88 C 17.35 -6.46 C 19.13 -14.29 C 15.43 -12.17 C 17.86 -14.99 C 17.86 -10.74 O 15.94 -6.46 C 15.43 -14.99 C 15.51 -7.79 C 16.65 -8.62 C 19.13 -12.88 C 16.65 -10.04 C 16.65 -14.29 C 16.65 -12.88 C 17.86 -12.17 23 1 -1 2 17 1 20 3 -2 22 4 -2 24 5 -2 6 18 2 21 7 -2 8 10 1 8 17 2 9 11 1 9 19 2 10 13 1 11 16 1 12 14 1 12 20 1 13 23 1 14 22 1 15 21 1 15 24 1 16 18 1 17 22 1 18 19 1 19 21 1 20 24 1 22 23 1 23 24 1', '24 26 H 16.65 -11.87 C:18 15.43 -16.43 C:16 20.36 -12.17 C:20 16.65 -15.73 C:18 18.94 -11.24 O 14.19 -8.21 O 15.43 -10.74 C:121 14.19 -14.29 C:144 17.78 -7.79 C:27 14.19 -12.88 C:70 17.35 -6.46 C:28 19.13 -14.29 C:19 15.43 -12.17 C:37 17.86 -14.99 C:43 17.86 -10.74 O 15.94 -6.46 C:144 15.43 -14.99 C:173 15.51 -7.79 C:138 16.65 -8.62 C:37 19.13 -12.88 C:64 16.65 -10.04 C:38 16.65 -14.29 C:47 16.65 -12.88 C:40 17.86 -12.17 23 1 -1 2 17 1 20 3 -2 22 4 -2 24 5 -2 6 18 2 21 7 -2 8 10 1 8 17 2 9 11 1 9 19 2 10 13 1 11 16 1 12 14 1 12 20 1 13 23 1 14 22 1 15 21 1 15 24 1 16 18 1 17 22 1 18 19 1 19 21 1 20 24 1 22 23 1 23 24 1', 'C20H30O3', 318.22, 'C', 'np07_372_6', 3715, '', '', '1', 47, NULL, NULL),
(14569, 'Caseargrewiins E', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12CC[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:35]23[CH2:26][C@@H:66](O[C:173](=O)[CH2:37][CH2:19][CH3:14])[CH:121]=[C:147]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:99](O[C:170]([CH3:21])=O)[C@:49]12[CH2:29][CH2:27][C@@H:37]([CH3:16])[C@@:38]3([CH3:26])[CH2:29][CH:127]=[C:134]([CH3:20])[CH:133]=[CH2:114]', '36 38 H 19.64 -10.70 C:15 20.86 -5.31 C:2004 11.15 -11.03 C:18002 14.73 -15.99 C:19002 22.70 -17.49 C:16 18.41 -6.78 C:17 23.37 -11.03 C:20 21.97 -10.06 O 15.95 -13.89 O 20.28 -17.49 O 14.73 -13.12 C:14 20.86 -6.70 C:12 19.71 -8.82 C:3 17.16 -13.18 C:2003 12.35 -11.71 C:2002 13.57 -11.03 C:7 22.17 -13.18 C:11 20.86 -9.56 C:6 20.92 -13.89 C:1 18.41 -11.03 O 15.95 -11.03 O 17.16 -15.99 O 21.48 -15.43 O 19.79 -15.43 C:18001 15.95 -15.29 C:19001 21.48 -16.80 C:13 19.71 -7.42 C:2001 14.73 -11.71 C:4 18.41 -13.89 C:8 22.17 -11.71 C:2 17.16 -11.71 C:18 18.41 -15.29 C:19 20.49 -14.43 C:10 19.64 -11.71 C:9 20.86 -11.03 C:5 19.64 -13.18 34 1 -2 2 12 2 3 15 1 4 25 1 5 26 1 6 27 1 30 7 -2 35 8 -1 9 25 2 10 26 2 11 28 2 12 27 1 13 18 1 13 27 2 14 29 2 14 31 1 15 16 1 16 28 1 17 19 1 17 30 1 18 35 1 19 36 1 20 31 1 20 34 1 21 28 1 31 21 -2 22 25 1 32 22 -2 23 26 1 33 23 -2 24 32 1 24 33 1 29 32 1 29 36 1 30 35 1 36 33 -2 34 35 1 34 36 1', '36 38 H 19.64 -10.70 C 20.86 -5.31 C 11.15 -11.03 C 14.73 -15.99 C 22.70 -17.49 C 18.41 -6.78 C 23.37 -11.03 C 21.97 -10.06 O 15.95 -13.89 O 20.28 -17.49 O 14.73 -13.12 C 20.86 -6.70 C 19.71 -8.82 C 17.16 -13.18 C 12.35 -11.71 C 13.57 -11.03 C 22.17 -13.18 C 20.86 -9.56 C 20.92 -13.89 C 18.41 -11.03 O 15.95 -11.03 O 17.16 -15.99 O 21.48 -15.43 O 19.79 -15.43 C 15.95 -15.29 C 21.48 -16.80 C 19.71 -7.42 C 14.73 -11.71 C 18.41 -13.89 C 22.17 -11.71 C 17.16 -11.71 C 18.41 -15.29 C 20.49 -14.43 C 19.64 -11.71 C 20.86 -11.03 C 19.64 -13.18 34 1 -2 2 12 2 3 15 1 4 25 1 5 26 1 6 27 1 30 7 -2 35 8 -1 9 25 2 10 26 2 11 28 2 12 27 1 13 18 1 13 27 2 14 29 2 14 31 1 15 16 1 16 28 1 17 19 1 17 30 1 18 35 1 19 36 1 20 31 1 20 34 1 21 28 1 31 21 -2 22 25 1 32 22 -2 23 26 1 33 23 -2 24 32 1 24 33 1 29 32 1 29 36 1 30 35 1 36 33 -2 34 35 1 34 36 1', '36 38 H 19.64 -10.70 C:114 20.86 -5.31 C:14 11.15 -11.03 C:21 14.73 -15.99 C:21 22.70 -17.49 C:20 18.41 -6.78 C:16 23.37 -11.03 C:26 21.97 -10.06 O 15.95 -13.89 O 20.28 -17.49 O 14.73 -13.12 C:133 20.86 -6.70 C:127 19.71 -8.82 C:121 17.16 -13.18 C:19 12.35 -11.71 C:37 13.57 -11.03 C:27 22.17 -13.18 C:29 20.86 -9.56 C:29 20.92 -13.89 C:26 18.41 -11.03 O 15.95 -11.03 O 17.16 -15.99 O 21.48 -15.43 O 19.79 -15.43 C:170 15.95 -15.29 C:170 21.48 -16.80 C:134 19.71 -7.42 C:173 14.73 -11.71 C:147 18.41 -13.89 C:37 22.17 -11.71 C:66 17.16 -11.71 C:96 18.41 -15.29 C:99 20.49 -14.43 C:35 19.64 -11.71 C:38 20.86 -11.03 C:49 19.64 -13.18 34 1 -2 2 12 2 3 15 1 4 25 1 5 26 1 6 27 1 30 7 -2 35 8 -1 9 25 2 10 26 2 11 28 2 12 27 1 13 18 1 13 27 2 14 29 2 14 31 1 15 16 1 16 28 1 17 19 1 17 30 1 18 35 1 19 36 1 20 31 1 20 34 1 21 28 1 31 21 -2 22 25 1 32 22 -2 23 26 1 33 23 -2 24 32 1 24 33 1 29 32 1 29 36 1 30 35 1 36 33 -2 34 35 1 34 36 1', 'C28H40O7', 488.303, 'C', 'np07_1122_1', 3716, '', '', '1', 47, NULL, NULL),
(14570, 'Caseargrewiins F', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](O)C[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:37]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:37][CH2:19][CH3:14])[CH:122]=[C:145]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:97](O[C:169]([CH3:21])=O)[C@:54]12[C@@H:73](O)[CH2:37][C@@H:37]([CH3:16])[C@@:38]3([CH3:25])[CH2:29][CH:127]=[C:134]([CH3:20])[CH:133]=[CH2:114]', '37 39 H 19.65 -10.70 C:15 20.87 -5.31 C:2004 11.16 -11.03 C:18002 14.77 -16.00 C:19002 22.70 -17.50 C:16 18.42 -6.78 C:17 23.37 -11.03 C:20 21.97 -10.06 O 15.96 -13.92 O 20.29 -17.50 O 14.77 -13.13 O 22.24 -14.44 C:14 20.87 -6.70 C:12 19.72 -8.82 C:3 17.17 -13.19 C:2003 12.36 -11.72 C:2002 13.58 -11.03 C:11 20.87 -9.56 C:7 22.17 -13.19 C:1 18.42 -11.03 O 15.96 -11.03 O 17.17 -16.00 O 21.49 -15.44 O 19.80 -15.44 C:18001 15.96 -15.30 C:19001 21.49 -16.81 C:13 19.72 -7.42 C:2001 14.77 -11.72 C:4 18.42 -13.92 C:8 22.17 -11.72 C:2 17.17 -11.72 C:6 20.93 -13.92 C:18 18.42 -15.30 C:19 20.50 -14.44 C:10 19.65 -11.72 C:9 20.87 -11.03 C:5 19.65 -13.19 35 1 -2 2 13 2 3 16 1 4 25 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 25 2 10 26 2 11 28 2 32 12 -2 13 27 1 14 18 1 14 27 2 15 29 2 15 31 1 16 17 1 17 28 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -2 22 25 1 33 22 -2 23 26 1 34 23 -2 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 19.65 -10.70 C 20.87 -5.31 C 11.16 -11.03 C 14.77 -16.00 C 22.70 -17.50 C 18.42 -6.78 C 23.37 -11.03 C 21.97 -10.06 O 15.96 -13.92 O 20.29 -17.50 O 14.77 -13.13 O 22.24 -14.44 C 20.87 -6.70 C 19.72 -8.82 C 17.17 -13.19 C 12.36 -11.72 C 13.58 -11.03 C 20.87 -9.56 C 22.17 -13.19 C 18.42 -11.03 O 15.96 -11.03 O 17.17 -16.00 O 21.49 -15.44 O 19.80 -15.44 C 15.96 -15.30 C 21.49 -16.81 C 19.72 -7.42 C 14.77 -11.72 C 18.42 -13.92 C 22.17 -11.72 C 17.17 -11.72 C 20.93 -13.92 C 18.42 -15.30 C 20.50 -14.44 C 19.65 -11.72 C 20.87 -11.03 C 19.65 -13.19 35 1 -2 2 13 2 3 16 1 4 25 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 25 2 10 26 2 11 28 2 32 12 -2 13 27 1 14 18 1 14 27 2 15 29 2 15 31 1 16 17 1 17 28 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -2 22 25 1 33 22 -2 23 26 1 34 23 -2 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 19.65 -10.70 C:114 20.87 -5.31 C:14 11.16 -11.03 C:21 14.77 -16.00 C:21 22.70 -17.50 C:20 18.42 -6.78 C:16 23.37 -11.03 C:25 21.97 -10.06 O 15.96 -13.92 O 20.29 -17.50 O 14.77 -13.13 O 22.24 -14.44 C:133 20.87 -6.70 C:127 19.72 -8.82 C:122 17.17 -13.19 C:19 12.36 -11.72 C:37 13.58 -11.03 C:29 20.87 -9.56 C:37 22.17 -13.19 C:27 18.42 -11.03 O 15.96 -11.03 O 17.17 -16.00 O 21.49 -15.44 O 19.80 -15.44 C:170 15.96 -15.30 C:169 21.49 -16.81 C:134 19.72 -7.42 C:173 14.77 -11.72 C:145 18.42 -13.92 C:37 22.17 -11.72 C:66 17.17 -11.72 C:73 20.93 -13.92 C:96 18.42 -15.30 C:97 20.50 -14.44 C:37 19.65 -11.72 C:38 20.87 -11.03 C:54 19.65 -13.19 35 1 -2 2 13 2 3 16 1 4 25 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 25 2 10 26 2 11 28 2 32 12 -2 13 27 1 14 18 1 14 27 2 15 29 2 15 31 1 16 17 1 17 28 1 18 36 1 19 30 1 19 32 1 20 31 1 20 35 1 21 28 1 31 21 -2 22 25 1 33 22 -2 23 26 1 34 23 -2 24 33 1 24 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', 'C28H40O8', 504.303, 'C', 'np07_1122_2', 3716, '', '', '1', 47, NULL, NULL),
(14571, 'Caseargrewiins G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[CH3:18001])O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCC)C=C1[C@@H](OC)O[C@@H](OC(C)=O)[C@]12[C@@H](O)C[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:37]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:37][CH2:19][CH3:14])[CH:122]=[C:146]1[C@@H:105](O[CH3:56])O[C@@H:97](O[C:170]([CH3:22])=O)[C@:54]12[C@@H:73](O)[CH2:37][C@@H:37]([CH3:16])[C@@:38]3([CH3:26])[CH2:29][CH:127]=[C:133]([CH3:20])[CH:133]=[CH2:114]', '35 37 H 19.60 -10.74 C:15 20.81 -5.35 C:2004 11.13 -11.07 C:18001 15.86 -15.36 C:19002 22.65 -17.51 C:16 18.37 -6.81 C:17 23.32 -11.07 C:20 21.92 -10.10 O 20.24 -17.51 O 14.75 -13.16 O 22.19 -14.47 C:14 20.81 -6.73 C:12 19.67 -8.86 C:3 17.08 -13.22 C:2003 12.34 -11.75 C:2002 13.55 -11.07 C:11 20.81 -9.60 C:7 22.12 -13.22 C:1 18.37 -11.07 O 17.08 -16.02 O 21.43 -15.46 O 15.92 -11.07 O 19.75 -15.46 C:19001 21.43 -16.83 C:13 19.67 -7.46 C:2001 14.75 -11.75 C:4 18.37 -13.95 C:8 22.12 -11.75 C:2 17.08 -11.75 C:6 20.87 -13.95 C:18 18.37 -15.36 C:19 20.45 -14.47 C:10 19.60 -11.75 C:9 20.81 -11.07 C:5 19.60 -13.22 33 1 -2 2 12 2 3 15 1 4 20 1 5 24 1 6 25 1 28 7 -2 34 8 -1 9 24 2 10 26 2 30 11 -2 12 25 1 13 17 1 13 25 2 14 27 2 14 29 1 15 16 1 16 26 1 17 34 1 18 28 1 18 30 1 19 29 1 19 33 1 31 20 -2 21 24 1 32 21 -2 22 26 1 29 22 -2 23 31 1 23 32 1 27 31 1 27 35 1 28 34 1 30 35 1 35 32 -2 33 34 1 33 35 1', '35 37 H 19.60 -10.74 C 20.81 -5.35 C 11.13 -11.07 C 15.86 -15.36 C 22.65 -17.51 C 18.37 -6.81 C 23.32 -11.07 C 21.92 -10.10 O 20.24 -17.51 O 14.75 -13.16 O 22.19 -14.47 C 20.81 -6.73 C 19.67 -8.86 C 17.08 -13.22 C 12.34 -11.75 C 13.55 -11.07 C 20.81 -9.60 C 22.12 -13.22 C 18.37 -11.07 O 17.08 -16.02 O 21.43 -15.46 O 15.92 -11.07 O 19.75 -15.46 C 21.43 -16.83 C 19.67 -7.46 C 14.75 -11.75 C 18.37 -13.95 C 22.12 -11.75 C 17.08 -11.75 C 20.87 -13.95 C 18.37 -15.36 C 20.45 -14.47 C 19.60 -11.75 C 20.81 -11.07 C 19.60 -13.22 33 1 -2 2 12 2 3 15 1 4 20 1 5 24 1 6 25 1 28 7 -2 34 8 -1 9 24 2 10 26 2 30 11 -2 12 25 1 13 17 1 13 25 2 14 27 2 14 29 1 15 16 1 16 26 1 17 34 1 18 28 1 18 30 1 19 29 1 19 33 1 31 20 -2 21 24 1 32 21 -2 22 26 1 29 22 -2 23 31 1 23 32 1 27 31 1 27 35 1 28 34 1 30 35 1 35 32 -2 33 34 1 33 35 1', '35 37 H 19.60 -10.74 C:114 20.81 -5.35 C:14 11.13 -11.07 C:56 15.86 -15.36 C:22 22.65 -17.51 C:20 18.37 -6.81 C:16 23.32 -11.07 C:26 21.92 -10.10 O 20.24 -17.51 O 14.75 -13.16 O 22.19 -14.47 C:133 20.81 -6.73 C:127 19.67 -8.86 C:122 17.08 -13.22 C:19 12.34 -11.75 C:37 13.55 -11.07 C:29 20.81 -9.60 C:37 22.12 -13.22 C:27 18.37 -11.07 O 17.08 -16.02 O 21.43 -15.46 O 15.92 -11.07 O 19.75 -15.46 C:170 21.43 -16.83 C:133 19.67 -7.46 C:173 14.75 -11.75 C:146 18.37 -13.95 C:37 22.12 -11.75 C:66 17.08 -11.75 C:73 20.87 -13.95 C:105 18.37 -15.36 C:97 20.45 -14.47 C:37 19.60 -11.75 C:38 20.81 -11.07 C:54 19.60 -13.22 33 1 -2 2 12 2 3 15 1 4 20 1 5 24 1 6 25 1 28 7 -2 34 8 -1 9 24 2 10 26 2 30 11 -2 12 25 1 13 17 1 13 25 2 14 27 2 14 29 1 15 16 1 16 26 1 17 34 1 18 28 1 18 30 1 19 29 1 19 33 1 31 20 -2 21 24 1 32 21 -2 22 26 1 29 22 -2 23 31 1 23 32 1 27 31 1 27 35 1 28 34 1 30 35 1 35 32 -2 33 34 1 33 35 1', 'C27H40O7', 476.293, 'C', 'np07_1122_3', 3716, '', '', '1', 47, NULL, NULL),
(14572, 'Caseargrewiins H', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH2:2004][CH2:2005][CH3:2006])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCCCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12CC[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:35]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:35][CH2:31][CH2:25][CH2:22][CH3:14])[CH:120]=[C:147]1[C@@H:95](O[C:170]([CH3:21])=O)O[C@@H:99](O[C:170]([CH3:21])=O)[C@:49]12[CH2:29][CH2:27][C@@H:36]([CH3:16])[C@@:38]3([CH3:26])[CH2:29][CH:127]=[C:134]([CH3:20])[CH:133]=[CH2:114]', '38 40 H 20.82 -10.70 C:15 22.04 -5.31 C:2006 9.90 -11.05 C:18002 15.91 -15.99 C:19002 23.88 -17.49 C:16 19.59 -6.78 C:17 24.56 -11.05 C:20 23.15 -10.06 O 17.13 -13.89 O 21.46 -17.49 O 15.91 -13.12 C:14 22.04 -6.70 C:12 20.89 -8.82 C:3 18.34 -13.18 C:2005 11.12 -11.74 C:2004 12.33 -11.05 C:2003 13.53 -11.74 C:2002 14.75 -11.05 C:7 23.35 -13.18 C:11 22.04 -9.56 C:6 22.10 -13.89 C:1 19.59 -11.05 O 18.34 -15.99 O 22.66 -15.43 O 17.13 -11.05 O 20.97 -15.43 C:18001 17.13 -15.29 C:19001 22.66 -16.80 C:13 20.89 -7.42 C:2001 15.91 -11.74 C:4 19.59 -13.89 C:8 23.35 -11.74 C:2 18.34 -11.74 C:18 19.59 -15.29 C:19 21.67 -14.43 C:10 20.82 -11.74 C:9 22.04 -11.05 C:5 20.82 -13.18 36 1 -2 2 12 2 3 15 1 4 27 1 5 28 1 6 29 1 32 7 -2 37 8 -1 9 27 2 10 28 2 11 30 2 12 29 1 13 20 1 13 29 2 14 31 2 14 33 1 15 16 1 16 17 1 17 18 1 18 30 1 19 21 1 19 32 1 20 37 1 21 38 1 22 33 1 22 36 1 23 27 1 34 23 -2 24 28 1 35 24 -2 25 30 1 33 25 -2 26 34 1 26 35 1 31 34 1 31 38 1 32 37 1 38 35 -2 36 37 1 36 38 1', '38 40 H 20.82 -10.70 C 22.04 -5.31 C 9.90 -11.05 C 15.91 -15.99 C 23.88 -17.49 C 19.59 -6.78 C 24.56 -11.05 C 23.15 -10.06 O 17.13 -13.89 O 21.46 -17.49 O 15.91 -13.12 C 22.04 -6.70 C 20.89 -8.82 C 18.34 -13.18 C 11.12 -11.74 C 12.33 -11.05 C 13.53 -11.74 C 14.75 -11.05 C 23.35 -13.18 C 22.04 -9.56 C 22.10 -13.89 C 19.59 -11.05 O 18.34 -15.99 O 22.66 -15.43 O 17.13 -11.05 O 20.97 -15.43 C 17.13 -15.29 C 22.66 -16.80 C 20.89 -7.42 C 15.91 -11.74 C 19.59 -13.89 C 23.35 -11.74 C 18.34 -11.74 C 19.59 -15.29 C 21.67 -14.43 C 20.82 -11.74 C 22.04 -11.05 C 20.82 -13.18 36 1 -2 2 12 2 3 15 1 4 27 1 5 28 1 6 29 1 32 7 -2 37 8 -1 9 27 2 10 28 2 11 30 2 12 29 1 13 20 1 13 29 2 14 31 2 14 33 1 15 16 1 16 17 1 17 18 1 18 30 1 19 21 1 19 32 1 20 37 1 21 38 1 22 33 1 22 36 1 23 27 1 34 23 -2 24 28 1 35 24 -2 25 30 1 33 25 -2 26 34 1 26 35 1 31 34 1 31 38 1 32 37 1 38 35 -2 36 37 1 36 38 1', '38 40 H 20.82 -10.70 C:114 22.04 -5.31 C:14 9.90 -11.05 C:21 15.91 -15.99 C:21 23.88 -17.49 C:20 19.59 -6.78 C:16 24.56 -11.05 C:26 23.15 -10.06 O 17.13 -13.89 O 21.46 -17.49 O 15.91 -13.12 C:133 22.04 -6.70 C:127 20.89 -8.82 C:120 18.34 -13.18 C:22 11.12 -11.74 C:25 12.33 -11.05 C:31 13.53 -11.74 C:35 14.75 -11.05 C:27 23.35 -13.18 C:29 22.04 -9.56 C:29 22.10 -13.89 C:27 19.59 -11.05 O 18.34 -15.99 O 22.66 -15.43 O 17.13 -11.05 O 20.97 -15.43 C:170 17.13 -15.29 C:170 22.66 -16.80 C:134 20.89 -7.42 C:173 15.91 -11.74 C:147 19.59 -13.89 C:36 23.35 -11.74 C:66 18.34 -11.74 C:95 19.59 -15.29 C:99 21.67 -14.43 C:35 20.82 -11.74 C:38 22.04 -11.05 C:49 20.82 -13.18 36 1 -2 2 12 2 3 15 1 4 27 1 5 28 1 6 29 1 32 7 -2 37 8 -1 9 27 2 10 28 2 11 30 2 12 29 1 13 20 1 13 29 2 14 31 2 14 33 1 15 16 1 16 17 1 17 18 1 18 30 1 19 21 1 19 32 1 20 37 1 21 38 1 22 33 1 22 36 1 23 27 1 34 23 -2 24 28 1 35 24 -2 25 30 1 33 25 -2 26 34 1 26 35 1 31 34 1 31 38 1 32 37 1 38 35 -2 36 37 1 36 38 1', 'C30H44O7', 516.325, 'C', 'np07_1122_4', 3716, '', '', '1', 47, NULL, NULL),
(14573, 'Caseargrewiins I', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH2:2004][CH2:2005][CH3:2006])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCCCC)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](O)C[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:37]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:35][CH2:31][CH2:25][CH2:22][CH3:14])[CH:122]=[C:145]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:98](O[C:169]([CH3:21])=O)[C@:54]12[C@@H:73](O)[CH2:37][C@@H:37]([CH3:16])[C@@:38]3([CH3:25])[CH2:29][CH:127]=[C:133]([CH3:20])[CH:133]=[CH2:114]', '39 41 H 20.86 -10.69 C:15 22.08 -5.31 C:2006 9.95 -11.02 C:18002 15.99 -15.99 C:19002 23.91 -17.49 C:16 19.63 -6.78 C:17 24.58 -11.02 C:20 23.18 -10.05 O 17.18 -13.91 O 21.50 -17.49 O 15.99 -13.12 O 23.45 -14.43 C:14 22.08 -6.70 C:12 20.93 -8.81 C:3 18.39 -13.18 C:2005 11.17 -11.72 C:2004 12.38 -11.02 C:2003 13.58 -11.72 C:2002 14.80 -11.02 C:11 22.08 -9.55 C:7 23.38 -13.18 C:1 19.63 -11.02 O 18.39 -15.99 O 22.70 -15.43 O 17.18 -11.02 O 21.01 -15.43 C:18001 17.18 -15.29 C:19001 22.70 -16.80 C:13 20.93 -7.42 C:2001 15.99 -11.72 C:4 19.63 -13.91 C:8 23.38 -11.72 C:2 18.39 -11.72 C:6 22.14 -13.91 C:18 19.63 -15.29 C:19 21.71 -14.43 C:10 20.86 -11.72 C:9 22.08 -11.02 C:5 20.86 -13.18 37 1 -2 2 13 2 3 16 1 4 27 1 5 28 1 6 29 1 32 7 -2 38 8 -1 9 27 2 10 28 2 11 30 2 34 12 -2 13 29 1 14 20 1 14 29 2 15 31 2 15 33 1 16 17 1 17 18 1 18 19 1 19 30 1 20 38 1 21 32 1 21 34 1 22 33 1 22 37 1 23 27 1 35 23 -2 24 28 1 36 24 -2 25 30 1 33 25 -2 26 35 1 26 36 1 31 35 1 31 39 1 32 38 1 34 39 1 39 36 -2 37 38 1 37 39 1', '39 41 H 20.86 -10.69 C 22.08 -5.31 C 9.95 -11.02 C 15.99 -15.99 C 23.91 -17.49 C 19.63 -6.78 C 24.58 -11.02 C 23.18 -10.05 O 17.18 -13.91 O 21.50 -17.49 O 15.99 -13.12 O 23.45 -14.43 C 22.08 -6.70 C 20.93 -8.81 C 18.39 -13.18 C 11.17 -11.72 C 12.38 -11.02 C 13.58 -11.72 C 14.80 -11.02 C 22.08 -9.55 C 23.38 -13.18 C 19.63 -11.02 O 18.39 -15.99 O 22.70 -15.43 O 17.18 -11.02 O 21.01 -15.43 C 17.18 -15.29 C 22.70 -16.80 C 20.93 -7.42 C 15.99 -11.72 C 19.63 -13.91 C 23.38 -11.72 C 18.39 -11.72 C 22.14 -13.91 C 19.63 -15.29 C 21.71 -14.43 C 20.86 -11.72 C 22.08 -11.02 C 20.86 -13.18 37 1 -2 2 13 2 3 16 1 4 27 1 5 28 1 6 29 1 32 7 -2 38 8 -1 9 27 2 10 28 2 11 30 2 34 12 -2 13 29 1 14 20 1 14 29 2 15 31 2 15 33 1 16 17 1 17 18 1 18 19 1 19 30 1 20 38 1 21 32 1 21 34 1 22 33 1 22 37 1 23 27 1 35 23 -2 24 28 1 36 24 -2 25 30 1 33 25 -2 26 35 1 26 36 1 31 35 1 31 39 1 32 38 1 34 39 1 39 36 -2 37 38 1 37 39 1', '39 41 H 20.86 -10.69 C:114 22.08 -5.31 C:14 9.95 -11.02 C:21 15.99 -15.99 C:21 23.91 -17.49 C:20 19.63 -6.78 C:16 24.58 -11.02 C:25 23.18 -10.05 O 17.18 -13.91 O 21.50 -17.49 O 15.99 -13.12 O 23.45 -14.43 C:133 22.08 -6.70 C:127 20.93 -8.81 C:122 18.39 -13.18 C:22 11.17 -11.72 C:25 12.38 -11.02 C:31 13.58 -11.72 C:35 14.80 -11.02 C:29 22.08 -9.55 C:37 23.38 -13.18 C:27 19.63 -11.02 O 18.39 -15.99 O 22.70 -15.43 O 17.18 -11.02 O 21.01 -15.43 C:170 17.18 -15.29 C:169 22.70 -16.80 C:133 20.93 -7.42 C:173 15.99 -11.72 C:145 19.63 -13.91 C:37 23.38 -11.72 C:66 18.39 -11.72 C:73 22.14 -13.91 C:96 19.63 -15.29 C:98 21.71 -14.43 C:37 20.86 -11.72 C:38 22.08 -11.02 C:54 20.86 -13.18 37 1 -2 2 13 2 3 16 1 4 27 1 5 28 1 6 29 1 32 7 -2 38 8 -1 9 27 2 10 28 2 11 30 2 34 12 -2 13 29 1 14 20 1 14 29 2 15 31 2 15 33 1 16 17 1 17 18 1 18 19 1 19 30 1 20 38 1 21 32 1 21 34 1 22 33 1 22 37 1 23 27 1 35 23 -2 24 28 1 36 24 -2 25 30 1 33 25 -2 26 35 1 26 36 1 31 35 1 31 39 1 32 38 1 34 39 1 39 36 -2 37 38 1 37 39 1', 'C30H44O8', 532.324, 'C', 'np07_1122_5', 3716, '', '', '1', 47, NULL, NULL),
(14574, 'Caseargrewiins J', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH2:2004][CH2:2005][CH3:2006])[CH:3]=[C:4]1[C@@H:18](O[CH3:18001])O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCCCC)C=C1[C@@H](OC)O[C@@H](OC(C)=O)[C@]12[C@@H](O)C[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:37]23[CH2:26][C@@H:67](O[C:173](=O)[CH2:34][CH2:31][CH2:25][CH2:22][CH3:13])[CH:121]=[C:147]1[C@@H:105](O[CH3:54])O[C@@H:98](O[C:170]([CH3:21])=O)[C@:53]12[C@@H:72](O)[CH2:37][C@@H:36]([CH3:15])[C@@:38]3([CH3:24])[CH2:29][CH:127]=[C:133]([CH3:19])[CH:133]=[CH2:114]', '37 39 H 20.85 -10.74 C:15 22.05 -5.35 C:2006 9.93 -11.07 C:18001 18.35 -17.44 C:19002 23.88 -17.53 C:16 19.62 -6.82 C:17 24.55 -11.07 C:20 23.15 -10.09 O 21.49 -17.53 O 15.98 -13.17 O 23.42 -14.48 C:14 22.05 -6.74 C:12 20.92 -8.84 C:3 18.35 -13.23 C:2005 11.16 -11.77 C:2004 12.38 -11.07 C:2003 13.57 -11.77 C:2002 14.79 -11.07 C:11 22.05 -9.58 C:7 23.35 -13.23 C:1 19.62 -11.07 O 18.35 -16.04 O 22.67 -15.48 O 17.17 -11.07 O 21.00 -15.48 C:19001 22.67 -16.84 C:13 20.92 -7.45 C:2001 15.98 -11.77 C:4 19.62 -13.96 C:8 23.35 -11.77 C:2 18.35 -11.77 C:6 22.11 -13.96 C:18 19.62 -15.33 C:19 21.69 -14.48 C:10 20.85 -11.77 C:9 22.05 -11.07 C:5 20.85 -13.23 35 1 -2 2 12 2 3 15 1 4 22 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 26 2 10 28 2 32 11 -2 12 27 1 13 19 1 13 27 2 14 29 2 14 31 1 15 16 1 16 17 1 17 18 1 18 28 1 19 36 1 20 30 1 20 32 1 21 31 1 21 35 1 33 22 -2 23 26 1 34 23 -2 24 28 1 31 24 -2 25 33 1 25 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 20.85 -10.74 C 22.05 -5.35 C 9.93 -11.07 C 18.35 -17.44 C 23.88 -17.53 C 19.62 -6.82 C 24.55 -11.07 C 23.15 -10.09 O 21.49 -17.53 O 15.98 -13.17 O 23.42 -14.48 C 22.05 -6.74 C 20.92 -8.84 C 18.35 -13.23 C 11.16 -11.77 C 12.38 -11.07 C 13.57 -11.77 C 14.79 -11.07 C 22.05 -9.58 C 23.35 -13.23 C 19.62 -11.07 O 18.35 -16.04 O 22.67 -15.48 O 17.17 -11.07 O 21.00 -15.48 C 22.67 -16.84 C 20.92 -7.45 C 15.98 -11.77 C 19.62 -13.96 C 23.35 -11.77 C 18.35 -11.77 C 22.11 -13.96 C 19.62 -15.33 C 21.69 -14.48 C 20.85 -11.77 C 22.05 -11.07 C 20.85 -13.23 35 1 -2 2 12 2 3 15 1 4 22 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 26 2 10 28 2 32 11 -2 12 27 1 13 19 1 13 27 2 14 29 2 14 31 1 15 16 1 16 17 1 17 18 1 18 28 1 19 36 1 20 30 1 20 32 1 21 31 1 21 35 1 33 22 -2 23 26 1 34 23 -2 24 28 1 31 24 -2 25 33 1 25 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', '37 39 H 20.85 -10.74 C:114 22.05 -5.35 C:13 9.93 -11.07 C:54 18.35 -17.44 C:21 23.88 -17.53 C:19 19.62 -6.82 C:15 24.55 -11.07 C:24 23.15 -10.09 O 21.49 -17.53 O 15.98 -13.17 O 23.42 -14.48 C:133 22.05 -6.74 C:127 20.92 -8.84 C:121 18.35 -13.23 C:22 11.16 -11.77 C:25 12.38 -11.07 C:31 13.57 -11.77 C:34 14.79 -11.07 C:29 22.05 -9.58 C:37 23.35 -13.23 C:26 19.62 -11.07 O 18.35 -16.04 O 22.67 -15.48 O 17.17 -11.07 O 21.00 -15.48 C:170 22.67 -16.84 C:133 20.92 -7.45 C:173 15.98 -11.77 C:147 19.62 -13.96 C:36 23.35 -11.77 C:67 18.35 -11.77 C:72 22.11 -13.96 C:105 19.62 -15.33 C:98 21.69 -14.48 C:37 20.85 -11.77 C:38 22.05 -11.07 C:53 20.85 -13.23 35 1 -2 2 12 2 3 15 1 4 22 1 5 26 1 6 27 1 30 7 -2 36 8 -1 9 26 2 10 28 2 32 11 -2 12 27 1 13 19 1 13 27 2 14 29 2 14 31 1 15 16 1 16 17 1 17 18 1 18 28 1 19 36 1 20 30 1 20 32 1 21 31 1 21 35 1 33 22 -2 23 26 1 34 23 -2 24 28 1 31 24 -2 25 33 1 25 34 1 29 33 1 29 37 1 30 36 1 32 37 1 37 34 -2 35 36 1 35 37 1', 'C29H44O7', 504.314, 'C', 'np07_1122_6', 3716, '', '', '1', 47, NULL, NULL),
(14575, 'Caseargrewiins K', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH2:2004][CH2:2005][CH3:2006])[CH:3]=[C:4]1[C@@H:18](O[CH3:18001])O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[C@H:7](O)[C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CCCCC)C=C1[C@@H](OC)O[C@@H](OC(C)=O)[C@]12[C@@H](O)[C@H](O)[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:37]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:35][CH2:31][CH2:26][CH2:22][CH3:14])[CH:125]=[C:145]1[C@@H:104](O[CH3:56])O[C@@H:98](O[C:170]([CH3:21])=O)[C@:51]12[C@@H:76](O)[C@H:73](O)[C@@H:41]([CH3:11])[C@@:39]3([CH3:25])[CH2:30][CH:127]=[C:134]([CH3:20])[CH:133]=[CH2:115]', '38 40 H 20.85 -10.74 C:15 22.05 -5.35 C:2006 9.93 -11.07 C:18001 18.35 -17.44 C:19002 23.88 -17.53 C:16 19.62 -6.82 C:17 24.56 -11.07 C:20 23.15 -10.09 O 21.49 -17.53 O 15.97 -13.17 O 24.56 -13.95 O 23.42 -14.47 C:14 22.05 -6.74 C:12 20.92 -8.84 C:3 18.35 -13.22 C:2005 11.16 -11.77 C:2004 12.38 -11.07 C:2003 13.56 -11.77 C:2002 14.78 -11.07 C:11 22.05 -9.58 C:1 19.62 -11.07 O 18.35 -16.03 O 17.17 -11.07 O 22.67 -15.47 O 21.00 -15.47 C:19001 22.67 -16.84 C:13 20.92 -7.45 C:2001 15.97 -11.77 C:4 19.62 -13.95 C:2 18.35 -11.77 C:8 23.35 -11.77 C:18 19.62 -15.32 C:7 23.35 -13.22 C:6 22.11 -13.95 C:19 21.69 -14.47 C:10 20.85 -11.77 C:9 22.05 -11.07 C:5 20.85 -13.22 36 1 -2 2 13 2 3 16 1 4 22 1 5 26 1 6 27 1 31 7 -2 37 8 -1 9 26 2 10 28 2 33 11 -1 34 12 -2 13 27 1 14 20 1 14 27 2 15 29 2 15 30 1 16 17 1 17 18 1 18 19 1 19 28 1 20 37 1 21 30 1 21 36 1 32 22 -2 23 28 1 30 23 -2 24 26 1 35 24 -2 25 32 1 25 35 1 29 32 1 29 38 1 31 33 1 31 37 1 33 34 1 34 38 1 38 35 -2 36 37 1 36 38 1', '38 40 H 20.85 -10.74 C 22.05 -5.35 C 9.93 -11.07 C 18.35 -17.44 C 23.88 -17.53 C 19.62 -6.82 C 24.56 -11.07 C 23.15 -10.09 O 21.49 -17.53 O 15.97 -13.17 O 24.56 -13.95 O 23.42 -14.47 C 22.05 -6.74 C 20.92 -8.84 C 18.35 -13.22 C 11.16 -11.77 C 12.38 -11.07 C 13.56 -11.77 C 14.78 -11.07 C 22.05 -9.58 C 19.62 -11.07 O 18.35 -16.03 O 17.17 -11.07 O 22.67 -15.47 O 21.00 -15.47 C 22.67 -16.84 C 20.92 -7.45 C 15.97 -11.77 C 19.62 -13.95 C 18.35 -11.77 C 23.35 -11.77 C 19.62 -15.32 C 23.35 -13.22 C 22.11 -13.95 C 21.69 -14.47 C 20.85 -11.77 C 22.05 -11.07 C 20.85 -13.22 36 1 -2 2 13 2 3 16 1 4 22 1 5 26 1 6 27 1 31 7 -2 37 8 -1 9 26 2 10 28 2 33 11 -1 34 12 -2 13 27 1 14 20 1 14 27 2 15 29 2 15 30 1 16 17 1 17 18 1 18 19 1 19 28 1 20 37 1 21 30 1 21 36 1 32 22 -2 23 28 1 30 23 -2 24 26 1 35 24 -2 25 32 1 25 35 1 29 32 1 29 38 1 31 33 1 31 37 1 33 34 1 34 38 1 38 35 -2 36 37 1 36 38 1', '38 40 H 20.85 -10.74 C:115 22.05 -5.35 C:14 9.93 -11.07 C:56 18.35 -17.44 C:21 23.88 -17.53 C:20 19.62 -6.82 C:11 24.56 -11.07 C:25 23.15 -10.09 O 21.49 -17.53 O 15.97 -13.17 O 24.56 -13.95 O 23.42 -14.47 C:133 22.05 -6.74 C:127 20.92 -8.84 C:125 18.35 -13.22 C:22 11.16 -11.77 C:26 12.38 -11.07 C:31 13.56 -11.77 C:35 14.78 -11.07 C:30 22.05 -9.58 C:27 19.62 -11.07 O 18.35 -16.03 O 17.17 -11.07 O 22.67 -15.47 O 21.00 -15.47 C:170 22.67 -16.84 C:134 20.92 -7.45 C:173 15.97 -11.77 C:145 19.62 -13.95 C:66 18.35 -11.77 C:41 23.35 -11.77 C:104 19.62 -15.32 C:73 23.35 -13.22 C:76 22.11 -13.95 C:98 21.69 -14.47 C:37 20.85 -11.77 C:39 22.05 -11.07 C:51 20.85 -13.22 36 1 -2 2 13 2 3 16 1 4 22 1 5 26 1 6 27 1 31 7 -2 37 8 -1 9 26 2 10 28 2 33 11 -1 34 12 -2 13 27 1 14 20 1 14 27 2 15 29 2 15 30 1 16 17 1 17 18 1 18 19 1 19 28 1 20 37 1 21 30 1 21 36 1 32 22 -2 23 28 1 30 23 -2 24 26 1 35 24 -2 25 32 1 25 35 1 29 32 1 29 38 1 31 33 1 31 37 1 33 34 1 34 38 1 38 35 -2 36 37 1 36 38 1', 'C29H44O8', 520.313, 'C', 'np07_1122_7', 3716, '', '', '1', 47, NULL, NULL),
(14576, 'Caseargrewiins L', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]23[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH:2003]([CH3:2301])[CH3:2004])[CH:3]=[C:4]1[C@@H:18](O[C:18001]([CH3:18002])=O)O[C@@H:19](O[C:19001]([CH3:19002])=O)[C@:5]12[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15]', '[H][C@@]23C[C@@H](OC(=O)CC(C)C)C=C1[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]12[C@@H](O)C[C@@H](C)[C@@]3(C)CC=C(C)C=C', '[H][C@@:37]23[CH2:27][C@@H:66](O[C:173](=O)[CH2:44][CH:26]([CH3:22])[CH3:22])[CH:122]=[C:146]1[C@@H:96](O[C:170]([CH3:21])=O)O[C@@H:97](O[C:169]([CH3:21])=O)[C@:54]12[C@@H:73](O)[CH2:37][C@@H:37]([CH3:16])[C@@:38]3([CH3:25])[CH2:29][CH:127]=[C:134]([CH3:20])[CH:133]=[CH2:114]', '38 40 H 19.66 -10.73 C:15 20.86 -5.34 C:18002 14.74 -16.07 C:19002 22.68 -17.52 C:16 18.43 -6.80 C:2301 12.36 -13.17 C:2004 11.19 -11.06 C:17 23.36 -11.06 C:20 21.95 -10.08 O 15.94 -13.95 O 20.30 -17.52 O 14.74 -13.17 O 22.22 -14.47 C:14 20.86 -6.72 C:12 19.73 -8.82 C:3 17.17 -13.22 C:11 20.86 -9.56 C:2002 13.59 -11.06 C:7 22.15 -13.22 C:1 18.43 -11.06 O 15.94 -11.06 O 17.17 -16.07 O 21.47 -15.47 O 19.81 -15.47 C:18001 15.94 -15.35 C:19001 21.47 -16.84 C:13 19.73 -7.43 C:2001 14.74 -11.77 C:4 18.43 -13.95 C:2003 12.36 -11.77 C:8 22.15 -11.77 C:2 17.17 -11.77 C:6 20.92 -13.95 C:18 18.43 -15.35 C:19 20.50 -14.47 C:10 19.66 -11.77 C:9 20.86 -11.06 C:5 19.66 -13.22 36 1 -2 2 14 2 3 25 1 4 26 1 5 27 1 6 30 1 7 30 1 31 8 -2 37 9 -1 10 25 2 11 26 2 12 28 2 33 13 -2 14 27 1 15 17 1 15 27 2 16 29 2 16 32 1 17 37 1 18 28 1 18 30 1 19 31 1 19 33 1 20 32 1 20 36 1 21 28 1 32 21 -2 22 25 1 34 22 -2 23 26 1 35 23 -2 24 34 1 24 35 1 29 34 1 29 38 1 31 37 1 33 38 1 38 35 -2 36 37 1 36 38 1', '38 40 H 19.66 -10.73 C 20.86 -5.34 C 14.74 -16.07 C 22.68 -17.52 C 18.43 -6.80 C 12.36 -13.17 C 11.19 -11.06 C 23.36 -11.06 C 21.95 -10.08 O 15.94 -13.95 O 20.30 -17.52 O 14.74 -13.17 O 22.22 -14.47 C 20.86 -6.72 C 19.73 -8.82 C 17.17 -13.22 C 20.86 -9.56 C 13.59 -11.06 C 22.15 -13.22 C 18.43 -11.06 O 15.94 -11.06 O 17.17 -16.07 O 21.47 -15.47 O 19.81 -15.47 C 15.94 -15.35 C 21.47 -16.84 C 19.73 -7.43 C 14.74 -11.77 C 18.43 -13.95 C 12.36 -11.77 C 22.15 -11.77 C 17.17 -11.77 C 20.92 -13.95 C 18.43 -15.35 C 20.50 -14.47 C 19.66 -11.77 C 20.86 -11.06 C 19.66 -13.22 36 1 -2 2 14 2 3 25 1 4 26 1 5 27 1 6 30 1 7 30 1 31 8 -2 37 9 -1 10 25 2 11 26 2 12 28 2 33 13 -2 14 27 1 15 17 1 15 27 2 16 29 2 16 32 1 17 37 1 18 28 1 18 30 1 19 31 1 19 33 1 20 32 1 20 36 1 21 28 1 32 21 -2 22 25 1 34 22 -2 23 26 1 35 23 -2 24 34 1 24 35 1 29 34 1 29 38 1 31 37 1 33 38 1 38 35 -2 36 37 1 36 38 1', '38 40 H 19.66 -10.73 C:114 20.86 -5.34 C:21 14.74 -16.07 C:21 22.68 -17.52 C:20 18.43 -6.80 C:22 12.36 -13.17 C:22 11.19 -11.06 C:16 23.36 -11.06 C:25 21.95 -10.08 O 15.94 -13.95 O 20.30 -17.52 O 14.74 -13.17 O 22.22 -14.47 C:133 20.86 -6.72 C:127 19.73 -8.82 C:122 17.17 -13.22 C:29 20.86 -9.56 C:44 13.59 -11.06 C:37 22.15 -13.22 C:27 18.43 -11.06 O 15.94 -11.06 O 17.17 -16.07 O 21.47 -15.47 O 19.81 -15.47 C:170 15.94 -15.35 C:169 21.47 -16.84 C:134 19.73 -7.43 C:173 14.74 -11.77 C:146 18.43 -13.95 C:26 12.36 -11.77 C:37 22.15 -11.77 C:66 17.17 -11.77 C:73 20.92 -13.95 C:96 18.43 -15.35 C:97 20.50 -14.47 C:37 19.66 -11.77 C:38 20.86 -11.06 C:54 19.66 -13.22 36 1 -2 2 14 2 3 25 1 4 26 1 5 27 1 6 30 1 7 30 1 31 8 -2 37 9 -1 10 25 2 11 26 2 12 28 2 33 13 -2 14 27 1 15 17 1 15 27 2 16 29 2 16 32 1 17 37 1 18 28 1 18 30 1 19 31 1 19 33 1 20 32 1 20 36 1 21 28 1 32 21 -2 22 25 1 34 22 -2 23 26 1 35 23 -2 24 34 1 24 35 1 29 34 1 29 38 1 31 37 1 33 38 1 38 35 -2 36 37 1 36 38 1', 'C29H42O8', 518.313, 'C', 'np07_1122_8', 3716, '', '', '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
(14577, 'Fibrauretin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:8]26[C:17](=O)O[C@@H:12]([c:13]1[cH:14][cH:15]o[cH:16]1)[CH2:11][C@@:9]2([CH3:20])[C@:10]5([H])[C@H:1]3O[C:18](=O)[C@:4](O)([C@H:3]4O[C@@H:2]34)[C@:5]5([CH3:19])[CH2:6][C@@H:7]6O', '[H][C@]26C(=O)O[C@@H](c1ccoc1)C[C@@]2(C)[C@]5([H])[C@H]3OC(=O)[C@](O)([C@H]4O[C@@H]34)[C@]5(C)C[C@@H]6O', '[H][C@:45]26[C:174](=O)O[C@@H:70]([c:124]1[cH:110][cH:144]o[cH:141]1)[CH2:49][C@@:36]2([CH3:29])[C@:54]5([H])[C@H:71]3O[C:172](=O)[C@:80](O)([C@H:52]4O[C@@H:49]34)[C@:42]5([CH3:24])[CH2:28][C@@H:50]6O', '30 35 H 19.17 -11.97 H 16.67 -11.86 C:20 17.89 -13.64 C:19 16.67 -15.83 O 21.69 -12.91 O 16.36 -13.64 O 20.41 -15.13 O 15.37 -16.52 C:15 19.95 -6.28 C:14 20.41 -7.66 C:16 18.03 -7.66 C:6 17.89 -15.13 C:11 17.89 -10.71 O 20.41 -10.76 O 14.56 -13.46 O 12.86 -13.64 O 18.50 -6.28 C:17 20.41 -12.16 C:18 15.62 -14.00 C:13 19.17 -8.52 C:7 19.17 -14.37 C:12 19.17 -9.96 C:2 14.09 -12.91 C:1 15.37 -12.16 C:3 14.09 -14.37 C:8 19.17 -12.91 C:9 17.89 -12.16 C:5 16.67 -14.37 C:10 16.67 -12.91 C:4 15.37 -15.13 26 1 -1 29 2 -2 27 3 -1 28 4 -2 5 18 2 6 19 2 21 7 -1 30 8 -2 9 10 2 9 17 1 10 20 1 11 17 1 11 20 2 12 21 1 12 28 1 13 22 1 13 27 1 14 18 1 14 22 1 15 19 1 24 15 -1 23 16 -1 25 16 -1 18 26 1 30 19 -1 22 20 -2 21 26 1 23 24 1 23 25 1 24 29 1 25 30 1 26 27 1 27 29 1 28 29 1 28 30 1', '30 35 H 19.17 -11.97 H 16.67 -11.86 C 17.89 -13.64 C 16.67 -15.83 O 21.69 -12.91 O 16.36 -13.64 O 20.41 -15.13 O 15.37 -16.52 C 19.95 -6.28 C 20.41 -7.66 C 18.03 -7.66 C 17.89 -15.13 C 17.89 -10.71 O 20.41 -10.76 O 14.56 -13.46 O 12.86 -13.64 O 18.50 -6.28 C 20.41 -12.16 C 15.62 -14.00 C 19.17 -8.52 C 19.17 -14.37 C 19.17 -9.96 C 14.09 -12.91 C 15.37 -12.16 C 14.09 -14.37 C 19.17 -12.91 C 17.89 -12.16 C 16.67 -14.37 C 16.67 -12.91 C 15.37 -15.13 26 1 -1 29 2 -2 27 3 -1 28 4 -2 5 18 2 6 19 2 21 7 -1 30 8 -2 9 10 2 9 17 1 10 20 1 11 17 1 11 20 2 12 21 1 12 28 1 13 22 1 13 27 1 14 18 1 14 22 1 15 19 1 24 15 -1 23 16 -1 25 16 -1 18 26 1 30 19 -1 22 20 -2 21 26 1 23 24 1 23 25 1 24 29 1 25 30 1 26 27 1 27 29 1 28 29 1 28 30 1', '30 35 H 19.17 -11.97 H 16.67 -11.86 C:29 17.89 -13.64 C:24 16.67 -15.83 O 21.69 -12.91 O 16.36 -13.64 O 20.41 -15.13 O 15.37 -16.52 C:144 19.95 -6.28 C:110 20.41 -7.66 C:141 18.03 -7.66 C:28 17.89 -15.13 C:49 17.89 -10.71 O 20.41 -10.76 O 14.56 -13.46 O 12.86 -13.64 O 18.50 -6.28 C:174 20.41 -12.16 C:172 15.62 -14.00 C:124 19.17 -8.52 C:50 19.17 -14.37 C:70 19.17 -9.96 C:49 14.09 -12.91 C:71 15.37 -12.16 C:52 14.09 -14.37 C:45 19.17 -12.91 C:36 17.89 -12.16 C:42 16.67 -14.37 C:54 16.67 -12.91 C:80 15.37 -15.13 26 1 -1 29 2 -2 27 3 -1 28 4 -2 5 18 2 6 19 2 21 7 -1 30 8 -2 9 10 2 9 17 1 10 20 1 11 17 1 11 20 2 12 21 1 12 28 1 13 22 1 13 27 1 14 18 1 14 22 1 15 19 1 24 15 -1 23 16 -1 25 16 -1 18 26 1 30 19 -1 22 20 -2 21 26 1 23 24 1 23 25 1 24 29 1 25 30 1 26 27 1 27 29 1 28 29 1 28 30 1', 'C20H22O8', 390.225, 'D', 'np07_1930_1', 3717, '', '', '1', 47, NULL, NULL),
(14578, 'Fibrauretinoside A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]35[CH2:1][CH:2]=[CH:3][C@:4]6(O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C:18](=O)O[C@H:6]([CH2:7][C@:8]4(O)[C:17](=O)O[C@H:12]([c:13]2[cH:14][cH:15]o[cH:16]2)[CH2:11][C@@:9]34[CH3:20])[C@:5]56[CH3:19]', '[H][C@]35CC=C[C@]6(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@H](C[C@]4(O)C(=O)O[C@H](c2ccoc2)C[C@@]34C)[C@]56C', '[H][C@:41]35[CH2:22][CH:132]=[CH:122][C@:78]6(O[C@@H:98]1O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:74]1O)[C:175](=O)O[C@H:80]([CH2:32][C@:87]4(O)[C:175](=O)O[C@H:72]([c:127]2[cH:110][cH:140]o[cH:144]2)[CH2:48][C@@:49]34[CH3:20])[C@:43]56[CH3:21]', '39 44 H 18.42 -11.29 C:20 19.69 -12.97 C:19 18.42 -15.12 O 23.31 -12.30 O 16.64 -16.87 O 14.82 -10.27 O 11.20 -15.12 O 11.20 -12.37 O 13.62 -16.53 O 20.91 -10.90 C:2 16.01 -12.30 C:3 16.01 -13.73 C:15 21.60 -5.93 C:14 22.02 -7.25 C:16 19.81 -7.25 C:106 13.62 -10.97 C:1 17.20 -11.60 C:11 19.69 -10.18 C:7 20.91 -13.73 O 22.12 -10.18 O 19.32 -15.86 O 14.82 -13.06 O 16.01 -15.12 O 20.24 -5.93 C:17 22.12 -11.60 C:18 17.59 -15.86 C:13 20.91 -8.06 C:103 12.42 -14.43 C:104 12.42 -13.06 C:102 13.62 -15.12 C:12 20.91 -9.46 C:105 13.62 -12.37 C:6 19.69 -14.43 C:101 14.82 -14.43 C:10 18.42 -12.30 C:9 19.69 -11.60 C:8 20.91 -12.30 C:5 18.42 -13.73 C:4 17.20 -14.43 35 1 -2 36 2 -1 38 3 -2 4 25 2 5 26 2 6 16 1 28 7 -1 29 8 -2 30 9 -2 37 10 -2 11 12 2 11 17 1 12 39 1 13 14 2 13 24 1 14 27 1 15 24 1 15 27 2 32 16 -1 17 35 1 18 31 1 18 36 1 19 33 1 19 37 1 20 25 1 20 31 1 21 26 1 33 21 -1 22 32 1 22 34 1 34 23 -1 39 23 -2 25 37 1 26 39 1 31 27 -1 28 29 1 28 30 1 29 32 1 30 34 1 33 38 1 35 36 1 35 38 1 36 37 1 38 39 1', '39 44 H 18.42 -11.29 C 19.69 -12.97 C 18.42 -15.12 O 23.31 -12.30 O 16.64 -16.87 O 14.82 -10.27 O 11.20 -15.12 O 11.20 -12.37 O 13.62 -16.53 O 20.91 -10.90 C 16.01 -12.30 C 16.01 -13.73 C 21.60 -5.93 C 22.02 -7.25 C 19.81 -7.25 C 13.62 -10.97 C 17.20 -11.60 C 19.69 -10.18 C 20.91 -13.73 O 22.12 -10.18 O 19.32 -15.86 O 14.82 -13.06 O 16.01 -15.12 O 20.24 -5.93 C 22.12 -11.60 C 17.59 -15.86 C 20.91 -8.06 C 12.42 -14.43 C 12.42 -13.06 C 13.62 -15.12 C 20.91 -9.46 C 13.62 -12.37 C 19.69 -14.43 C 14.82 -14.43 C 18.42 -12.30 C 19.69 -11.60 C 20.91 -12.30 C 18.42 -13.73 C 17.20 -14.43 35 1 -2 36 2 -1 38 3 -2 4 25 2 5 26 2 6 16 1 28 7 -1 29 8 -2 30 9 -2 37 10 -2 11 12 2 11 17 1 12 39 1 13 14 2 13 24 1 14 27 1 15 24 1 15 27 2 32 16 -1 17 35 1 18 31 1 18 36 1 19 33 1 19 37 1 20 25 1 20 31 1 21 26 1 33 21 -1 22 32 1 22 34 1 34 23 -1 39 23 -2 25 37 1 26 39 1 31 27 -1 28 29 1 28 30 1 29 32 1 30 34 1 33 38 1 35 36 1 35 38 1 36 37 1 38 39 1', '39 44 H 18.42 -11.29 C:20 19.69 -12.97 C:21 18.42 -15.12 O 23.31 -12.30 O 16.64 -16.87 O 14.82 -10.27 O 11.20 -15.12 O 11.20 -12.37 O 13.62 -16.53 O 20.91 -10.90 C:132 16.01 -12.30 C:122 16.01 -13.73 C:140 21.60 -5.93 C:110 22.02 -7.25 C:144 19.81 -7.25 C:61 13.62 -10.97 C:22 17.20 -11.60 C:48 19.69 -10.18 C:32 20.91 -13.73 O 22.12 -10.18 O 19.32 -15.86 O 14.82 -13.06 O 16.01 -15.12 O 20.24 -5.93 C:175 22.12 -11.60 C:175 17.59 -15.86 C:127 20.91 -8.06 C:77 12.42 -14.43 C:70 12.42 -13.06 C:74 13.62 -15.12 C:72 20.91 -9.46 C:77 13.62 -12.37 C:80 19.69 -14.43 C:98 14.82 -14.43 C:41 18.42 -12.30 C:49 19.69 -11.60 C:87 20.91 -12.30 C:43 18.42 -13.73 C:78 17.20 -14.43 35 1 -2 36 2 -1 38 3 -2 4 25 2 5 26 2 6 16 1 28 7 -1 29 8 -2 30 9 -2 37 10 -2 11 12 2 11 17 1 12 39 1 13 14 2 13 24 1 14 27 1 15 24 1 15 27 2 32 16 -1 17 35 1 18 31 1 18 36 1 19 33 1 19 37 1 20 25 1 20 31 1 21 26 1 33 21 -1 22 32 1 22 34 1 34 23 -1 39 23 -2 25 37 1 26 39 1 31 27 -1 28 29 1 28 30 1 29 32 1 30 34 1 33 38 1 35 36 1 35 38 1 36 37 1 38 39 1', 'C26H32O12', 536.279, 'D', 'np07_1930_2', 3717, '', '', '1', 47, NULL, NULL),
(14579, 'Epi-fibrauretinoside A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]35[CH2:1][CH:2]=[CH:3][C@@:4]6(O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C:18](=O)O[C@H:6]([CH2:7][C@:8]4(O)[C:17](=O)O[C@H:12]([c:13]2[cH:14][cH:15]o[cH:16]2)[CH2:11][C@@:9]34[CH3:20])[C@:5]56[CH3:19]', '[H][C@]35CC=C[C@@]6(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@H](C[C@]4(O)C(=O)O[C@H](c2ccoc2)C[C@@]34C)[C@]56C', '[H][C@:41]35[CH2:22][CH:132]=[CH:122][C@@:78]6(O[C@@H:98]1O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:78](O)[C@H:74]1O)[C:176](=O)O[C@H:81]([CH2:33][C@:88]4(O)[C:175](=O)O[C@H:71]([c:128]2[cH:111][cH:140]o[cH:143]2)[CH2:48][C@@:49]34[CH3:20])[C@:43]56[CH3:22]', '39 44 H 18.43 -11.30 C:20 19.70 -12.98 C:19 18.43 -15.13 O 23.32 -12.31 O 16.65 -16.88 O 14.83 -10.27 O 11.21 -15.13 O 11.21 -12.38 O 13.63 -16.54 O 20.92 -10.91 C:2 16.02 -12.31 C:3 16.02 -13.74 C:15 21.61 -5.93 C:14 22.03 -7.25 C:16 19.82 -7.25 C:106 13.63 -10.98 C:1 17.21 -11.61 C:11 19.70 -10.18 C:7 20.92 -13.74 O 22.13 -10.18 O 19.33 -15.87 O 14.83 -13.07 O 16.02 -15.13 O 20.25 -5.93 C:17 22.13 -11.61 C:18 17.60 -15.87 C:13 20.92 -8.06 C:103 12.43 -14.44 C:104 12.43 -13.07 C:102 13.63 -15.13 C:12 20.92 -9.46 C:105 13.63 -12.38 C:6 19.70 -14.44 C:101 14.83 -14.44 C:10 18.43 -12.31 C:9 19.70 -11.61 C:8 20.92 -12.31 C:5 18.43 -13.74 C:4 17.21 -14.44 35 1 -2 36 2 -1 38 3 -2 4 25 2 5 26 2 6 16 1 28 7 -1 29 8 -2 30 9 -2 37 10 -2 11 12 2 11 17 1 12 39 1 13 14 2 13 24 1 14 27 1 15 24 1 15 27 2 32 16 -1 17 35 1 18 31 1 18 36 1 19 33 1 19 37 1 20 25 1 20 31 1 21 26 1 33 21 -1 22 32 1 22 34 1 34 23 -1 39 23 -1 25 37 1 26 39 1 31 27 -1 28 29 1 28 30 1 29 32 1 30 34 1 33 38 1 35 36 1 35 38 1 36 37 1 38 39 1', '39 44 H 18.43 -11.30 C 19.70 -12.98 C 18.43 -15.13 O 23.32 -12.31 O 16.65 -16.88 O 14.83 -10.27 O 11.21 -15.13 O 11.21 -12.38 O 13.63 -16.54 O 20.92 -10.91 C 16.02 -12.31 C 16.02 -13.74 C 21.61 -5.93 C 22.03 -7.25 C 19.82 -7.25 C 13.63 -10.98 C 17.21 -11.61 C 19.70 -10.18 C 20.92 -13.74 O 22.13 -10.18 O 19.33 -15.87 O 14.83 -13.07 O 16.02 -15.13 O 20.25 -5.93 C 22.13 -11.61 C 17.60 -15.87 C 20.92 -8.06 C 12.43 -14.44 C 12.43 -13.07 C 13.63 -15.13 C 20.92 -9.46 C 13.63 -12.38 C 19.70 -14.44 C 14.83 -14.44 C 18.43 -12.31 C 19.70 -11.61 C 20.92 -12.31 C 18.43 -13.74 C 17.21 -14.44 35 1 -2 36 2 -1 38 3 -2 4 25 2 5 26 2 6 16 1 28 7 -1 29 8 -2 30 9 -2 37 10 -2 11 12 2 11 17 1 12 39 1 13 14 2 13 24 1 14 27 1 15 24 1 15 27 2 32 16 -1 17 35 1 18 31 1 18 36 1 19 33 1 19 37 1 20 25 1 20 31 1 21 26 1 33 21 -1 22 32 1 22 34 1 34 23 -1 39 23 -1 25 37 1 26 39 1 31 27 -1 28 29 1 28 30 1 29 32 1 30 34 1 33 38 1 35 36 1 35 38 1 36 37 1 38 39 1', '39 44 H 18.43 -11.30 C:20 19.70 -12.98 C:22 18.43 -15.13 O 23.32 -12.31 O 16.65 -16.88 O 14.83 -10.27 O 11.21 -15.13 O 11.21 -12.38 O 13.63 -16.54 O 20.92 -10.91 C:132 16.02 -12.31 C:122 16.02 -13.74 C:140 21.61 -5.93 C:111 22.03 -7.25 C:143 19.82 -7.25 C:61 13.63 -10.98 C:22 17.21 -11.61 C:48 19.70 -10.18 C:33 20.92 -13.74 O 22.13 -10.18 O 19.33 -15.87 O 14.83 -13.07 O 16.02 -15.13 O 20.25 -5.93 C:175 22.13 -11.61 C:176 17.60 -15.87 C:128 20.92 -8.06 C:78 12.43 -14.44 C:70 12.43 -13.07 C:74 13.63 -15.13 C:71 20.92 -9.46 C:77 13.63 -12.38 C:81 19.70 -14.44 C:98 14.83 -14.44 C:41 18.43 -12.31 C:49 19.70 -11.61 C:88 20.92 -12.31 C:43 18.43 -13.74 C:78 17.21 -14.44 35 1 -2 36 2 -1 38 3 -2 4 25 2 5 26 2 6 16 1 28 7 -1 29 8 -2 30 9 -2 37 10 -2 11 12 2 11 17 1 12 39 1 13 14 2 13 24 1 14 27 1 15 24 1 15 27 2 32 16 -1 17 35 1 18 31 1 18 36 1 19 33 1 19 37 1 20 25 1 20 31 1 21 26 1 33 21 -1 22 32 1 22 34 1 34 23 -1 39 23 -1 25 37 1 26 39 1 31 27 -1 28 29 1 28 30 1 29 32 1 30 34 1 33 38 1 35 36 1 35 38 1 36 37 1 38 39 1', 'C26H32O12', 536.279, 'D', 'np07_1930_3', 3717, '', '', '1', 47, NULL, NULL),
(14580, 'epi-12-Palmatoside G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]35[CH2:7][CH2:6][C@@:5]2([CH2:19]O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C:4](=O)[CH:3]=[CH:2][CH2:1][C@@:10]2([H])[C@:9]3([CH3:20])[CH2:11][C@H:12]([c:13]4[cH:14][cH:15]o[cH:16]4)O[C:17]5=O', '[H][C@@]35CC[C@@]2(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C=CC[C@@]2([H])[C@]3(C)C[C@H](c4ccoc4)OC5=O', '[H][C@@:45]35[CH2:18][CH2:24][C@@:51]2([CH2:76]O[C@@H:104]1O[C@H:77]([CH2:62]O)[C@@H:71](O)[C@H:77](O)[C@H:74]1O)[C:202](=O)[CH:129]=[CH:150][CH2:25][C@@:46]2([H])[C@:37]3([CH3:26])[CH2:47][C@H:71]([c:125]4[cH:109][cH:144]o[cH:140]4)O[C:176]5=O', '37 41 H 18.53 -9.16 H 16.02 -9.04 C:20 17.31 -10.76 O 14.78 -13.63 O 20.98 -10.09 O 13.67 -17.17 O 19.74 -17.82 O 17.31 -19.23 O 19.74 -14.99 C:2 13.51 -10.07 C:3 13.51 -11.50 C:15 19.28 -3.59 C:14 19.74 -4.95 C:16 17.40 -4.92 C:106 14.89 -17.86 C:1 14.78 -9.35 C:7 18.53 -11.50 C:6 17.28 -12.22 C:19 16.10 -12.92 C:11 17.28 -7.91 O 17.28 -13.61 O 19.74 -7.96 O 16.10 -15.73 O 17.86 -3.57 C:4 14.78 -12.22 C:17 19.74 -9.38 C:13 18.53 -5.76 C:103 18.53 -17.12 C:104 17.33 -17.83 C:102 18.53 -15.70 C:12 18.53 -7.18 C:105 16.10 -17.14 C:101 17.29 -15.01 C:8 18.53 -10.07 C:10 16.02 -10.07 C:9 17.29 -9.35 C:5 16.02 -11.50 34 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 15 1 28 7 -1 29 8 -2 30 9 -2 10 11 2 10 16 1 11 25 1 12 13 2 12 24 1 13 27 1 14 24 1 14 27 2 32 15 -1 16 35 1 17 18 1 17 34 1 18 37 1 19 21 1 37 19 -2 20 31 1 20 36 1 33 21 -1 22 26 1 22 31 1 23 32 1 23 33 1 25 37 1 26 34 1 31 27 -2 28 29 1 28 30 1 29 32 1 30 33 1 34 36 1 35 36 1 35 37 1', '37 41 H 18.53 -9.16 H 16.02 -9.04 C 17.31 -10.76 O 14.78 -13.63 O 20.98 -10.09 O 13.67 -17.17 O 19.74 -17.82 O 17.31 -19.23 O 19.74 -14.99 C 13.51 -10.07 C 13.51 -11.50 C 19.28 -3.59 C 19.74 -4.95 C 17.40 -4.92 C 14.89 -17.86 C 14.78 -9.35 C 18.53 -11.50 C 17.28 -12.22 C 16.10 -12.92 C 17.28 -7.91 O 17.28 -13.61 O 19.74 -7.96 O 16.10 -15.73 O 17.86 -3.57 C 14.78 -12.22 C 19.74 -9.38 C 18.53 -5.76 C 18.53 -17.12 C 17.33 -17.83 C 18.53 -15.70 C 18.53 -7.18 C 16.10 -17.14 C 17.29 -15.01 C 18.53 -10.07 C 16.02 -10.07 C 17.29 -9.35 C 16.02 -11.50 34 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 15 1 28 7 -1 29 8 -2 30 9 -2 10 11 2 10 16 1 11 25 1 12 13 2 12 24 1 13 27 1 14 24 1 14 27 2 32 15 -1 16 35 1 17 18 1 17 34 1 18 37 1 19 21 1 37 19 -2 20 31 1 20 36 1 33 21 -1 22 26 1 22 31 1 23 32 1 23 33 1 25 37 1 26 34 1 31 27 -2 28 29 1 28 30 1 29 32 1 30 33 1 34 36 1 35 36 1 35 37 1', '37 41 H 18.53 -9.16 H 16.02 -9.04 C:26 17.31 -10.76 O 14.78 -13.63 O 20.98 -10.09 O 13.67 -17.17 O 19.74 -17.82 O 17.31 -19.23 O 19.74 -14.99 C:150 13.51 -10.07 C:129 13.51 -11.50 C:144 19.28 -3.59 C:109 19.74 -4.95 C:140 17.40 -4.92 C:62 14.89 -17.86 C:25 14.78 -9.35 C:18 18.53 -11.50 C:24 17.28 -12.22 C:76 16.10 -12.92 C:47 17.28 -7.91 O 17.28 -13.61 O 19.74 -7.96 O 16.10 -15.73 O 17.86 -3.57 C:202 14.78 -12.22 C:176 19.74 -9.38 C:125 18.53 -5.76 C:77 18.53 -17.12 C:71 17.33 -17.83 C:74 18.53 -15.70 C:71 18.53 -7.18 C:77 16.10 -17.14 C:104 17.29 -15.01 C:45 18.53 -10.07 C:46 16.02 -10.07 C:37 17.29 -9.35 C:51 16.02 -11.50 34 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 15 1 28 7 -1 29 8 -2 30 9 -2 10 11 2 10 16 1 11 25 1 12 13 2 12 24 1 13 27 1 14 24 1 14 27 2 32 15 -1 16 35 1 17 18 1 17 34 1 18 37 1 19 21 1 37 19 -2 20 31 1 20 36 1 33 21 -1 22 26 1 22 31 1 23 32 1 23 33 1 25 37 1 26 34 1 31 27 -2 28 29 1 28 30 1 29 32 1 30 33 1 34 36 1 35 36 1 35 37 1', 'C25H32O10', 492.277, 'M', 'np07_1930_4', 3717, '', '', '1', 47, NULL, NULL),
(14581, 'Fibraurecdyside A', '', 'Steroids', 'Ergostanes', '', '[H][C@:9]24[CH2:11][CH2:12][C@:13]1([CH3:18])[C@@:17]([H])([C@@:20]([CH3:21])(O)[C@H:22](O)[CH2:23][C@@H:24]([CH3:24001])[C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@@:14]1(O)[C:8]2=[CH:7][C:6](=O)[C@:5]5([H])[CH2:4][C@@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[C@@H:2](O)[CH2:1][C@:10]45[CH3:19]', '[H][C@]24CC[C@]1(C)[C@@]([H])([C@@](C)(O)[C@H](O)C[C@@H](C)C(C)(C)O)CC[C@@]1(O)C2=CC(=O)[C@]5([H])C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C[C@]45C', '[H][C@:34]24[CH2:21][CH2:32][C@:48]1([CH3:18])[C@@:50]([H])([C@@:77]([CH3:22])(O)[C@H:75](O)[CH2:35][C@@H:42]([CH3:16])[C:72]([CH3:28])([CH3:27])O)[CH2:21][CH2:32][C@@:84]1(O)[C:166]2=[CH:122][C:203](=O)[C@:51]5([H])[CH2:31][C@@H:78](O[C@@H:104]3O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]3O)[C@@H:68](O)[CH2:39][C@:39]45[CH3:24]', '49 53 H 16.94 -12.63 H 15.61 -14.92 H 20.45 -10.74 C:24001 25.41 -7.50 C:27 25.47 -11.25 C:26 27.35 -9.60 C:21 20.90 -7.02 C:18 19.44 -8.75 C:19 15.61 -10.89 O 16.94 -15.96 O 10.65 -9.80 O 11.94 -11.64 O 23.04 -6.76 O 7.10 -14.74 O 7.10 -11.93 O 9.53 -16.05 O 26.83 -10.99 O 19.86 -7.95 O 19.44 -13.00 C:7 18.15 -13.84 C:106 9.45 -10.50 C:11 16.94 -10.19 C:16 21.59 -10.89 C:12 18.15 -9.45 C:15 20.76 -12.01 C:23 23.55 -9.14 C:1 14.36 -11.64 C:4 14.36 -14.57 O 10.72 -12.54 O 11.94 -14.57 C:6 16.94 -14.57 C:8 18.15 -12.35 C:24 24.94 -8.84 C:2 13.11 -12.35 C:22 22.60 -8.10 C:103 8.29 -14.01 C:104 8.29 -12.63 C:102 9.53 -14.66 C:105 9.45 -11.93 C:3 13.11 -13.84 C:101 10.72 -13.93 C:25 25.90 -9.93 C:20 21.20 -8.38 C:9 16.94 -11.64 C:5 15.61 -13.84 C:17 20.76 -9.73 C:13 19.44 -10.19 C:10 15.61 -12.35 C:14 19.44 -11.64 44 1 -2 45 2 -1 46 3 -2 33 4 -1 5 42 1 6 42 1 43 7 -2 47 8 -1 48 9 -1 10 31 2 11 21 1 34 12 -1 35 13 -2 36 14 -1 37 15 -2 38 16 -2 17 42 1 43 18 -1 49 19 -2 20 31 1 20 32 2 39 21 -1 22 24 1 22 44 1 23 25 1 23 46 1 24 47 1 25 49 1 26 33 1 26 35 1 27 34 1 27 48 1 28 40 1 28 45 1 29 39 1 29 41 1 40 30 -1 41 30 -1 31 45 1 32 44 1 32 49 1 33 42 1 34 40 1 35 43 1 36 37 1 36 38 1 37 39 1 38 41 1 43 46 1 44 48 1 45 48 1 46 47 1 47 49 1', '49 53 H 16.94 -12.63 H 15.61 -14.92 H 20.45 -10.74 C 25.41 -7.50 C 25.47 -11.25 C 27.35 -9.60 C 20.90 -7.02 C 19.44 -8.75 C 15.61 -10.89 O 16.94 -15.96 O 10.65 -9.80 O 11.94 -11.64 O 23.04 -6.76 O 7.10 -14.74 O 7.10 -11.93 O 9.53 -16.05 O 26.83 -10.99 O 19.86 -7.95 O 19.44 -13.00 C 18.15 -13.84 C 9.45 -10.50 C 16.94 -10.19 C 21.59 -10.89 C 18.15 -9.45 C 20.76 -12.01 C 23.55 -9.14 C 14.36 -11.64 C 14.36 -14.57 O 10.72 -12.54 O 11.94 -14.57 C 16.94 -14.57 C 18.15 -12.35 C 24.94 -8.84 C 13.11 -12.35 C 22.60 -8.10 C 8.29 -14.01 C 8.29 -12.63 C 9.53 -14.66 C 9.45 -11.93 C 13.11 -13.84 C 10.72 -13.93 C 25.90 -9.93 C 21.20 -8.38 C 16.94 -11.64 C 15.61 -13.84 C 20.76 -9.73 C 19.44 -10.19 C 15.61 -12.35 C 19.44 -11.64 44 1 -2 45 2 -1 46 3 -2 33 4 -1 5 42 1 6 42 1 43 7 -2 47 8 -1 48 9 -1 10 31 2 11 21 1 34 12 -1 35 13 -2 36 14 -1 37 15 -2 38 16 -2 17 42 1 43 18 -1 49 19 -2 20 31 1 20 32 2 39 21 -1 22 24 1 22 44 1 23 25 1 23 46 1 24 47 1 25 49 1 26 33 1 26 35 1 27 34 1 27 48 1 28 40 1 28 45 1 29 39 1 29 41 1 40 30 -1 41 30 -1 31 45 1 32 44 1 32 49 1 33 42 1 34 40 1 35 43 1 36 37 1 36 38 1 37 39 1 38 41 1 43 46 1 44 48 1 45 48 1 46 47 1 47 49 1', '49 53 H 16.94 -12.63 H 15.61 -14.92 H 20.45 -10.74 C:16 25.41 -7.50 C:28 25.47 -11.25 C:27 27.35 -9.60 C:22 20.90 -7.02 C:18 19.44 -8.75 C:24 15.61 -10.89 O 16.94 -15.96 O 10.65 -9.80 O 11.94 -11.64 O 23.04 -6.76 O 7.10 -14.74 O 7.10 -11.93 O 9.53 -16.05 O 26.83 -10.99 O 19.86 -7.95 O 19.44 -13.00 C:122 18.15 -13.84 C:63 9.45 -10.50 C:21 16.94 -10.19 C:21 21.59 -10.89 C:32 18.15 -9.45 C:32 20.76 -12.01 C:35 23.55 -9.14 C:39 14.36 -11.64 C:31 14.36 -14.57 O 10.72 -12.54 O 11.94 -14.57 C:203 16.94 -14.57 C:166 18.15 -12.35 C:42 24.94 -8.84 C:68 13.11 -12.35 C:75 22.60 -8.10 C:79 8.29 -14.01 C:72 8.29 -12.63 C:75 9.53 -14.66 C:79 9.45 -11.93 C:78 13.11 -13.84 C:104 10.72 -13.93 C:72 25.90 -9.93 C:77 21.20 -8.38 C:34 16.94 -11.64 C:51 15.61 -13.84 C:50 20.76 -9.73 C:48 19.44 -10.19 C:39 15.61 -12.35 C:84 19.44 -11.64 44 1 -2 45 2 -1 46 3 -2 33 4 -1 5 42 1 6 42 1 43 7 -2 47 8 -1 48 9 -1 10 31 2 11 21 1 34 12 -1 35 13 -2 36 14 -1 37 15 -2 38 16 -2 17 42 1 43 18 -1 49 19 -2 20 31 1 20 32 2 39 21 -1 22 24 1 22 44 1 23 25 1 23 46 1 24 47 1 25 49 1 26 33 1 26 35 1 27 34 1 27 48 1 28 40 1 28 45 1 29 39 1 29 41 1 40 30 -1 41 30 -1 31 45 1 32 44 1 32 49 1 33 42 1 34 40 1 35 43 1 36 37 1 36 38 1 37 39 1 38 41 1 43 46 1 44 48 1 45 48 1 46 47 1 47 49 1', 'C34H56O12', 656.38, 'P', 'np07_1930_5', 3717, '', '', '1', 47, NULL, NULL),
(14582, 'Agelasine J', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:16][C:13](=[CH:14][CH2:15]n2[cH:108][n+]([CH3:110])[c:106]1n[cH:102]n[c:104](N)[c:105]12)[CH2:12][CH2:11][C@:9]3([CH3:20])[C:10]4=[C:5]([CH2:6][CH2:7][C@H:8]3[CH3:17])[C@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1]4', 'CC(=CCn2cn(C)c1ncnc(N)c12)CC[C@]3(C)C4=C(CC[C@H]3C)[C@](C)(C)CCC4', '[CH3:17][C:150](=[CH:115][CH2:49]n2[cH:142][n+]([CH3:32])[c:154]1n[cH:157]n[c:151](N)[c:111]12)[CH2:36][CH2:36][C@:42]3([CH3:22])[C:134]4=[C:139]([CH2:27][CH2:29][C@H:35]3[CH3:17])[C@:36]([CH3:30])([CH3:28])[CH2:41][CH2:21][CH2:27]4', '31 34 C:16 14.04 -9.85 C:17 18.97 -14.10 C:110 19.75 -4.87 C:18 14.98 -17.98 C:19 13.09 -17.98 C:20 17.62 -13.21 N 18.45 -10.66 C:14 16.50 -9.85 C:102 21.63 -8.91 C:108 17.84 -6.42 C:2 12.82 -14.80 C:15 16.50 -8.47 C:1 14.04 -14.10 C:12 15.26 -11.91 C:6 16.50 -16.95 C:7 17.74 -16.24 C:3 12.82 -16.24 C:11 16.50 -12.68 N 20.71 -9.93 N 21.21 -7.61 C:13 15.26 -10.53 C:5 15.26 -16.24 C:10 15.26 -14.80 C:104 19.37 -9.65 C:106 19.87 -7.32 C:105 18.97 -8.34 C:8 17.74 -14.80 N 17.74 -7.78 N+ 19.18 -6.14 C:4 14.04 -16.95 C:9 16.50 -14.10 1 21 1 27 2 -2 3 29 1 30 4 -1 30 5 -2 31 6 -2 7 24 1 8 12 1 8 21 2 9 19 1 9 20 2 10 28 1 10 29 2 11 13 1 11 17 1 12 28 1 13 23 1 14 18 1 14 21 1 15 16 1 15 22 1 16 27 1 17 30 1 18 31 1 19 24 2 20 25 1 22 23 2 22 30 1 23 31 1 24 26 1 25 26 2 25 29 1 26 28 1 27 31 1', '31 34 C 14.04 -9.85 C 18.97 -14.10 C 19.75 -4.87 C 14.98 -17.98 C 13.09 -17.98 C 17.62 -13.21 N 18.45 -10.66 C 16.50 -9.85 C 21.63 -8.91 C 17.84 -6.42 C 12.82 -14.80 C 16.50 -8.47 C 14.04 -14.10 C 15.26 -11.91 C 16.50 -16.95 C 17.74 -16.24 C 12.82 -16.24 C 16.50 -12.68 N 20.71 -9.93 N 21.21 -7.61 C 15.26 -10.53 C 15.26 -16.24 C 15.26 -14.80 C 19.37 -9.65 C 19.87 -7.32 C 18.97 -8.34 C 17.74 -14.80 N 17.74 -7.78 N+ 19.18 -6.14 C 14.04 -16.95 C 16.50 -14.10 1 21 1 27 2 -2 3 29 1 30 4 -1 30 5 -2 31 6 -2 7 24 1 8 12 1 8 21 2 9 19 1 9 20 2 10 28 1 10 29 2 11 13 1 11 17 1 12 28 1 13 23 1 14 18 1 14 21 1 15 16 1 15 22 1 16 27 1 17 30 1 18 31 1 19 24 2 20 25 1 22 23 2 22 30 1 23 31 1 24 26 1 25 26 2 25 29 1 26 28 1 27 31 1', '31 34 C:17 14.04 -9.85 C:17 18.97 -14.10 C:32 19.75 -4.87 C:30 14.98 -17.98 C:28 13.09 -17.98 C:22 17.62 -13.21 N 18.45 -10.66 C:115 16.50 -9.85 C:157 21.63 -8.91 C:142 17.84 -6.42 C:21 12.82 -14.80 C:49 16.50 -8.47 C:27 14.04 -14.10 C:36 15.26 -11.91 C:27 16.50 -16.95 C:29 17.74 -16.24 C:41 12.82 -16.24 C:36 16.50 -12.68 N 20.71 -9.93 N 21.21 -7.61 C:150 15.26 -10.53 C:139 15.26 -16.24 C:134 15.26 -14.80 C:151 19.37 -9.65 C:154 19.87 -7.32 C:111 18.97 -8.34 C:35 17.74 -14.80 N 17.74 -7.78 N+ 19.18 -6.14 C:36 14.04 -16.95 C:42 16.50 -14.10 1 21 1 27 2 -2 3 29 1 30 4 -1 30 5 -2 31 6 -2 7 24 1 8 12 1 8 21 2 9 19 1 9 20 2 10 28 1 10 29 2 11 13 1 11 17 1 12 28 1 13 23 1 14 18 1 14 21 1 15 16 1 15 22 1 16 27 1 17 30 1 18 31 1 19 24 2 20 25 1 22 23 2 22 30 1 23 31 1 24 26 1 25 26 2 25 29 1 26 28 1 27 31 1', 'C26H40N5', 422.312, 'M', 'np08_1451_3', 3718, '', '', '1', 47, NULL, NULL),
(14583, 'Agelasine K', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH:2]=[CH:3][C@@H:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]n4[cH:108][n+]([CH3:110])[c:106]3n[cH:102]n[c:104](N)[c:105]34', '[H][C@]12CC=C[C@@H](C)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CCn4cn(C)c3ncnc(N)c34', '[H][C@:47]12[CH2:25][CH:127]=[CH:133][C@@H:47]([CH3:15])[C@:37]1([CH3:14])[CH2:41][CH2:28][C@@H:38]([CH3:16])[C@:40]2([CH3:18])[CH2:37][CH2:34][C:150]([CH3:17])=[CH:116][CH2:49]n4[cH:142][n+]([CH3:32])[c:154]3n[cH:157]n[c:151](N)[c:111]34', '32 35 H 15.24 -13.61 C:16 14.02 -9.64 C:18 14.02 -18.20 C:17 19.00 -13.92 C:110 19.78 -4.63 C:19 15.24 -17.49 C:20 17.63 -13.03 N 18.47 -10.46 C:2 12.80 -14.62 C:3 12.80 -16.07 C:14 16.51 -9.64 C:102 21.68 -8.69 C:108 17.86 -6.18 C:12 15.24 -11.72 C:15 16.51 -8.25 C:1 14.02 -13.92 C:7 17.76 -16.07 C:11 16.51 -12.50 C:6 16.51 -16.79 N 20.75 -9.72 N 21.25 -7.38 C:13 15.24 -10.33 C:104 19.40 -9.44 C:106 19.90 -7.09 C:105 19.00 -8.12 C:4 14.02 -16.79 C:8 17.76 -14.62 N 17.76 -7.55 N+ 19.21 -5.90 C:10 15.24 -14.62 C:5 15.24 -16.07 C:9 16.51 -13.92 30 1 -1 2 22 1 26 3 -2 27 4 -2 5 29 1 31 6 -2 32 7 -2 8 23 1 9 10 2 9 16 1 10 26 1 11 15 1 11 22 2 12 20 1 12 21 2 13 28 1 13 29 2 14 18 1 14 22 1 15 28 1 16 30 1 17 19 1 17 27 1 18 32 1 19 31 1 20 23 2 21 24 1 23 25 1 24 25 2 24 29 1 25 28 1 26 31 1 27 32 1 30 31 1 30 32 1', '32 35 H 15.24 -13.61 C 14.02 -9.64 C 14.02 -18.20 C 19.00 -13.92 C 19.78 -4.63 C 15.24 -17.49 C 17.63 -13.03 N 18.47 -10.46 C 12.80 -14.62 C 12.80 -16.07 C 16.51 -9.64 C 21.68 -8.69 C 17.86 -6.18 C 15.24 -11.72 C 16.51 -8.25 C 14.02 -13.92 C 17.76 -16.07 C 16.51 -12.50 C 16.51 -16.79 N 20.75 -9.72 N 21.25 -7.38 C 15.24 -10.33 C 19.40 -9.44 C 19.90 -7.09 C 19.00 -8.12 C 14.02 -16.79 C 17.76 -14.62 N 17.76 -7.55 N+ 19.21 -5.90 C 15.24 -14.62 C 15.24 -16.07 C 16.51 -13.92 30 1 -1 2 22 1 26 3 -2 27 4 -2 5 29 1 31 6 -2 32 7 -2 8 23 1 9 10 2 9 16 1 10 26 1 11 15 1 11 22 2 12 20 1 12 21 2 13 28 1 13 29 2 14 18 1 14 22 1 15 28 1 16 30 1 17 19 1 17 27 1 18 32 1 19 31 1 20 23 2 21 24 1 23 25 1 24 25 2 24 29 1 25 28 1 26 31 1 27 32 1 30 31 1 30 32 1', '32 35 H 15.24 -13.61 C:17 14.02 -9.64 C:15 14.02 -18.20 C:16 19.00 -13.92 C:32 19.78 -4.63 C:14 15.24 -17.49 C:18 17.63 -13.03 N 18.47 -10.46 C:127 12.80 -14.62 C:133 12.80 -16.07 C:116 16.51 -9.64 C:157 21.68 -8.69 C:142 17.86 -6.18 C:34 15.24 -11.72 C:49 16.51 -8.25 C:25 14.02 -13.92 C:28 17.76 -16.07 C:37 16.51 -12.50 C:41 16.51 -16.79 N 20.75 -9.72 N 21.25 -7.38 C:150 15.24 -10.33 C:151 19.40 -9.44 C:154 19.90 -7.09 C:111 19.00 -8.12 C:47 14.02 -16.79 C:38 17.76 -14.62 N 17.76 -7.55 N+ 19.21 -5.90 C:47 15.24 -14.62 C:37 15.24 -16.07 C:40 16.51 -13.92 30 1 -1 2 22 1 26 3 -2 27 4 -2 5 29 1 31 6 -2 32 7 -2 8 23 1 9 10 2 9 16 1 10 26 1 11 15 1 11 22 2 12 20 1 12 21 2 13 28 1 13 29 2 14 18 1 14 22 1 15 28 1 16 30 1 17 19 1 17 27 1 18 32 1 19 31 1 20 23 2 21 24 1 23 25 1 24 25 2 24 29 1 25 28 1 26 31 1 27 32 1 30 31 1 30 32 1', 'C26H40N5', 422.32, 'M', 'np08_1451_4', 3718, '', '', '1', 47, NULL, NULL),
(14584, 'Agelasine L', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[CH3:16][C:13](=[CH:14][CH2:15]n2[cH:108][n+]([CH3:110])[c:106]1n[cH:102]n[c:104](N)[c:105]12)[CH2:12][CH2:11][C@:9]4([CH3:20])[C:10]3=[CH:1][CH2:2][CH2:3][C@@H:4]([CH3:18])[C@:5]3([CH3:19])[CH2:6][CH2:7][C@H:8]4[CH3:17]', 'CC(=CCn2cn(C)c1ncnc(N)c12)CC[C@]4(C)C3=CCC[C@@H](C)[C@]3(C)CC[C@H]4C', '[CH3:17][C:150](=[CH:115][CH2:49]n2[cH:142][n+]([CH3:32])[c:151]1n[cH:157]n[c:154](N)[c:111]12)[CH2:35][CH2:38][C@:44]4([CH3:27])[C:149]3=[CH:121][CH2:27][CH2:28][C@@H:43]([CH3:16])[C@:38]3([CH3:21])[CH2:40][CH2:28][C@H:37]4[CH3:17]', '31 34 C:16 14.07 -9.67 C:18 14.07 -18.17 C:17 19.01 -13.91 C:110 19.79 -4.70 C:20 17.66 -13.03 C:19 15.29 -17.46 N 18.49 -10.49 C:1 14.07 -13.91 C:14 16.55 -9.67 C:102 21.67 -8.73 C:108 17.88 -6.25 C:2 12.86 -14.61 C:15 16.55 -8.30 C:12 15.29 -11.73 C:3 12.86 -16.05 C:7 17.79 -16.05 C:11 16.55 -12.51 C:6 16.55 -16.77 N 20.75 -9.75 N 21.24 -7.43 C:13 15.29 -10.36 C:10 15.29 -14.61 C:104 19.41 -9.48 C:106 19.91 -7.15 C:105 19.01 -8.17 C:4 14.07 -16.77 C:8 17.79 -14.61 N 17.79 -7.60 N+ 19.22 -5.97 C:9 16.55 -13.91 C:5 15.29 -16.05 1 21 1 26 2 -2 27 3 -2 4 29 1 30 5 -2 31 6 -2 7 23 1 8 12 1 8 22 2 9 13 1 9 21 2 10 19 1 10 20 2 11 28 1 11 29 2 12 15 1 13 28 1 14 17 1 14 21 1 15 26 1 16 18 1 16 27 1 17 30 1 18 31 1 19 23 2 20 24 1 22 30 1 22 31 1 23 25 1 24 25 2 24 29 1 25 28 1 26 31 1 27 30 1', '31 34 C 14.07 -9.67 C 14.07 -18.17 C 19.01 -13.91 C 19.79 -4.70 C 17.66 -13.03 C 15.29 -17.46 N 18.49 -10.49 C 14.07 -13.91 C 16.55 -9.67 C 21.67 -8.73 C 17.88 -6.25 C 12.86 -14.61 C 16.55 -8.30 C 15.29 -11.73 C 12.86 -16.05 C 17.79 -16.05 C 16.55 -12.51 C 16.55 -16.77 N 20.75 -9.75 N 21.24 -7.43 C 15.29 -10.36 C 15.29 -14.61 C 19.41 -9.48 C 19.91 -7.15 C 19.01 -8.17 C 14.07 -16.77 C 17.79 -14.61 N 17.79 -7.60 N+ 19.22 -5.97 C 16.55 -13.91 C 15.29 -16.05 1 21 1 26 2 -2 27 3 -2 4 29 1 30 5 -2 31 6 -2 7 23 1 8 12 1 8 22 2 9 13 1 9 21 2 10 19 1 10 20 2 11 28 1 11 29 2 12 15 1 13 28 1 14 17 1 14 21 1 15 26 1 16 18 1 16 27 1 17 30 1 18 31 1 19 23 2 20 24 1 22 30 1 22 31 1 23 25 1 24 25 2 24 29 1 25 28 1 26 31 1 27 30 1', '31 34 C:17 14.07 -9.67 C:16 14.07 -18.17 C:17 19.01 -13.91 C:32 19.79 -4.70 C:27 17.66 -13.03 C:21 15.29 -17.46 N 18.49 -10.49 C:121 14.07 -13.91 C:115 16.55 -9.67 C:157 21.67 -8.73 C:142 17.88 -6.25 C:27 12.86 -14.61 C:49 16.55 -8.30 C:35 15.29 -11.73 C:28 12.86 -16.05 C:28 17.79 -16.05 C:38 16.55 -12.51 C:40 16.55 -16.77 N 20.75 -9.75 N 21.24 -7.43 C:150 15.29 -10.36 C:149 15.29 -14.61 C:154 19.41 -9.48 C:151 19.91 -7.15 C:111 19.01 -8.17 C:43 14.07 -16.77 C:37 17.79 -14.61 N 17.79 -7.60 N+ 19.22 -5.97 C:44 16.55 -13.91 C:38 15.29 -16.05 1 21 1 26 2 -2 27 3 -2 4 29 1 30 5 -2 31 6 -2 7 23 1 8 12 1 8 22 2 9 13 1 9 21 2 10 19 1 10 20 2 11 28 1 11 29 2 12 15 1 13 28 1 14 17 1 14 21 1 15 26 1 16 18 1 16 27 1 17 30 1 18 31 1 19 23 2 20 24 1 22 30 1 22 31 1 23 25 1 24 25 2 24 29 1 25 28 1 26 31 1 27 30 1', 'C26H40N5', 422.312, 'M', 'np08_1451_5', 3718, '', '', '1', 47, NULL, NULL),
(14585, 'Ptychonolide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][C@H:7]4O[C:20](=O)[C@:9]2([CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3)[C@@H:8]4[CH3:17]', '[H][C@]12CCC=C(C)[C@]1(C)C[C@H]4OC(=O)[C@]2(CCc3ccoc3)[C@@H]4C', '[H][C@:48]12[CH2:18][CH2:25][CH:119]=[C:145]([CH3:18])[C@:38]1([CH3:24])[CH2:38][C@H:82]4O[C:179](=O)[C@:50]2([CH2:27][CH2:19][c:124]3[cH:111][cH:143]o[cH:139]3)[C@@H:48]4[CH3:14]', '24 27 H 16.62 -11.83 C:18 15.45 -16.24 C:17 20.19 -12.12 C:19 16.62 -15.56 O 18.88 -9.92 C:3 14.26 -14.19 C:15 17.30 -6.59 C:14 17.72 -7.89 C:16 15.53 -7.89 C:2 14.26 -12.82 C:12 16.62 -10.05 C:1 15.45 -12.12 C:11 17.80 -10.76 C:6 17.80 -14.88 O 20.25 -13.33 O 15.94 -6.59 C:4 15.45 -14.88 C:20 18.88 -11.32 C:13 16.62 -8.69 C:8 19.02 -12.82 C:7 19.02 -14.19 C:5 16.62 -14.19 C:10 16.62 -12.82 C:9 17.80 -12.12 23 1 -1 2 17 1 20 3 -2 22 4 -2 5 18 2 6 10 1 6 17 2 7 8 2 7 16 1 8 19 1 9 16 1 9 19 2 10 12 1 11 13 1 11 19 1 12 23 1 24 13 -1 14 21 1 14 22 1 15 18 1 21 15 -2 17 22 1 18 24 1 20 21 1 20 24 1 22 23 1 23 24 1', '24 27 H 16.62 -11.83 C 15.45 -16.24 C 20.19 -12.12 C 16.62 -15.56 O 18.88 -9.92 C 14.26 -14.19 C 17.30 -6.59 C 17.72 -7.89 C 15.53 -7.89 C 14.26 -12.82 C 16.62 -10.05 C 15.45 -12.12 C 17.80 -10.76 C 17.80 -14.88 O 20.25 -13.33 O 15.94 -6.59 C 15.45 -14.88 C 18.88 -11.32 C 16.62 -8.69 C 19.02 -12.82 C 19.02 -14.19 C 16.62 -14.19 C 16.62 -12.82 C 17.80 -12.12 23 1 -1 2 17 1 20 3 -2 22 4 -2 5 18 2 6 10 1 6 17 2 7 8 2 7 16 1 8 19 1 9 16 1 9 19 2 10 12 1 11 13 1 11 19 1 12 23 1 24 13 -1 14 21 1 14 22 1 15 18 1 21 15 -2 17 22 1 18 24 1 20 21 1 20 24 1 22 23 1 23 24 1', '24 27 H 16.62 -11.83 C:18 15.45 -16.24 C:14 20.19 -12.12 C:24 16.62 -15.56 O 18.88 -9.92 C:119 14.26 -14.19 C:143 17.30 -6.59 C:111 17.72 -7.89 C:139 15.53 -7.89 C:25 14.26 -12.82 C:19 16.62 -10.05 C:18 15.45 -12.12 C:27 17.80 -10.76 C:38 17.80 -14.88 O 20.25 -13.33 O 15.94 -6.59 C:145 15.45 -14.88 C:179 18.88 -11.32 C:124 16.62 -8.69 C:48 19.02 -12.82 C:82 19.02 -14.19 C:38 16.62 -14.19 C:48 16.62 -12.82 C:50 17.80 -12.12 23 1 -1 2 17 1 20 3 -2 22 4 -2 5 18 2 6 10 1 6 17 2 7 8 2 7 16 1 8 19 1 9 16 1 9 19 2 10 12 1 11 13 1 11 19 1 12 23 1 24 13 -1 14 21 1 14 22 1 15 18 1 21 15 -2 17 22 1 18 24 1 20 21 1 20 24 1 22 23 1 23 24 1', 'C20H26O3', 314.22, 'C', 'np08_1760_1', 3719, '', '', '1', 47, NULL, NULL),
(14586, '20-O-Methylptychonal acetal', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][C@H:7]4O[C@H:20](O[CH3:20001])[C@:9]2([CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3)[C@@H:8]4[CH3:17]', '[H][C@]12CCC=C(C)[C@]1(C)C[C@H]4O[C@H](OC)[C@]2(CCc3ccoc3)[C@@H]4C', '[H][C@:47]12[CH2:19][CH2:26][CH:119]=[C:146]([CH3:18])[C@:39]1([CH3:24])[CH2:41][C@H:84]4O[C@H:106](O[CH3:55])[C@:52]2([CH2:27][CH2:19][c:125]3[cH:111][cH:143]o[cH:139]3)[C@@H:47]4[CH3:15]', '25 28 H 16.62 -11.83 C:20001 20.10 -9.22 C:18 15.45 -16.24 C:17 20.19 -12.12 C:19 16.62 -15.56 C:3 14.26 -14.19 C:15 17.30 -6.59 C:14 17.72 -7.89 C:16 15.53 -7.89 C:2 14.26 -12.82 C:12 16.62 -10.05 C:1 15.45 -12.12 C:11 17.80 -10.76 C:6 17.80 -14.88 O 18.88 -9.92 O 20.25 -13.33 O 15.94 -6.59 C:4 15.45 -14.88 C:13 16.62 -8.69 C:8 19.02 -12.82 C:7 19.02 -14.19 C:20 18.88 -11.32 C:5 16.62 -14.19 C:10 16.62 -12.82 C:9 17.80 -12.12 24 1 -1 2 15 1 3 18 1 20 4 -2 23 5 -2 6 10 1 6 18 2 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 12 1 11 13 1 11 19 1 12 24 1 25 13 -1 14 21 1 14 23 1 22 15 -1 21 16 -2 16 22 1 18 23 1 20 21 1 20 25 1 22 25 1 23 24 1 24 25 1', '25 28 H 16.62 -11.83 C 20.10 -9.22 C 15.45 -16.24 C 20.19 -12.12 C 16.62 -15.56 C 14.26 -14.19 C 17.30 -6.59 C 17.72 -7.89 C 15.53 -7.89 C 14.26 -12.82 C 16.62 -10.05 C 15.45 -12.12 C 17.80 -10.76 C 17.80 -14.88 O 18.88 -9.92 O 20.25 -13.33 O 15.94 -6.59 C 15.45 -14.88 C 16.62 -8.69 C 19.02 -12.82 C 19.02 -14.19 C 18.88 -11.32 C 16.62 -14.19 C 16.62 -12.82 C 17.80 -12.12 24 1 -1 2 15 1 3 18 1 20 4 -2 23 5 -2 6 10 1 6 18 2 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 12 1 11 13 1 11 19 1 12 24 1 25 13 -1 14 21 1 14 23 1 22 15 -1 21 16 -2 16 22 1 18 23 1 20 21 1 20 25 1 22 25 1 23 24 1 24 25 1', '25 28 H 16.62 -11.83 C:55 20.10 -9.22 C:18 15.45 -16.24 C:15 20.19 -12.12 C:24 16.62 -15.56 C:119 14.26 -14.19 C:143 17.30 -6.59 C:111 17.72 -7.89 C:139 15.53 -7.89 C:26 14.26 -12.82 C:19 16.62 -10.05 C:19 15.45 -12.12 C:27 17.80 -10.76 C:41 17.80 -14.88 O 18.88 -9.92 O 20.25 -13.33 O 15.94 -6.59 C:146 15.45 -14.88 C:125 16.62 -8.69 C:47 19.02 -12.82 C:84 19.02 -14.19 C:106 18.88 -11.32 C:39 16.62 -14.19 C:47 16.62 -12.82 C:52 17.80 -12.12 24 1 -1 2 15 1 3 18 1 20 4 -2 23 5 -2 6 10 1 6 18 2 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 12 1 11 13 1 11 19 1 12 24 1 25 13 -1 14 21 1 14 23 1 22 15 -1 21 16 -2 16 22 1 18 23 1 20 21 1 20 25 1 22 25 1 23 24 1 24 25 1', 'C21H30O3', 330.231, 'C', 'np08_1760_2', 3719, '', '', '1', 47, NULL, NULL),
(14587, 'Bafoudiosbulbins F', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]13[CH2:1][C@H:2]5[CH2:3][C@H:4]([C:18](=O)O[CH3:18001])[C@@:5]1([CH2:6][CH2:7][C@@:8]4(O)[C:17](=O)O[C@H:12]([c:13]2[cH:14][cH:15]o[cH:16]2)[CH2:11][C@@:9]34[CH3:20])[C:19](=O)O5', '[H][C@@]13C[C@H]5C[C@H](C(=O)OC)[C@@]1(CC[C@@]4(O)C(=O)O[C@H](c2ccoc2)C[C@@]34C)C(=O)O5', '[H][C@@:38]13[CH2:27][C@H:74]5[CH2:29][C@H:42]([C:173](=O)O[CH3:53])[C@@:43]1([CH2:26][CH2:27][C@@:75]4(O)[C:172](=O)O[C@H:71]([c:126]2[cH:110][cH:144]o[cH:141]2)[CH2:35][C@@:39]34[CH3:17])[C:177](=O)O5', '30 34 H 16.04 -10.78 C:18001 15.93 -17.69 C:20 17.28 -12.55 O 13.47 -16.22 O 21.08 -11.84 O 14.39 -13.30 O 18.57 -10.41 C:15 19.34 -5.20 C:14 19.81 -6.61 C:16 17.43 -6.61 C:7 18.57 -13.30 C:6 17.28 -14.03 C:3 13.47 -13.30 C:1 14.72 -11.12 C:11 17.28 -9.64 O 15.93 -16.22 O 14.72 -11.84 O 19.81 -9.70 O 17.89 -5.20 C:18 14.72 -15.50 C:17 19.81 -11.12 C:19 15.08 -12.81 C:13 18.57 -7.46 C:2 13.47 -11.84 C:12 18.57 -8.90 C:4 14.72 -14.03 C:10 16.04 -11.84 C:9 17.28 -11.12 C:8 18.57 -11.84 C:5 16.04 -13.30 27 1 -2 2 16 1 28 3 -1 4 20 2 5 21 2 6 22 2 29 7 -1 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 12 1 11 29 1 12 30 1 13 24 1 13 26 1 14 24 1 14 27 1 15 25 1 15 28 1 16 20 1 17 22 1 24 17 -2 18 21 1 18 25 1 26 20 -1 21 29 1 30 22 -2 25 23 -1 26 30 1 27 28 1 27 30 1 28 29 1', '30 34 H 16.04 -10.78 C 15.93 -17.69 C 17.28 -12.55 O 13.47 -16.22 O 21.08 -11.84 O 14.39 -13.30 O 18.57 -10.41 C 19.34 -5.20 C 19.81 -6.61 C 17.43 -6.61 C 18.57 -13.30 C 17.28 -14.03 C 13.47 -13.30 C 14.72 -11.12 C 17.28 -9.64 O 15.93 -16.22 O 14.72 -11.84 O 19.81 -9.70 O 17.89 -5.20 C 14.72 -15.50 C 19.81 -11.12 C 15.08 -12.81 C 18.57 -7.46 C 13.47 -11.84 C 18.57 -8.90 C 14.72 -14.03 C 16.04 -11.84 C 17.28 -11.12 C 18.57 -11.84 C 16.04 -13.30 27 1 -2 2 16 1 28 3 -1 4 20 2 5 21 2 6 22 2 29 7 -1 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 12 1 11 29 1 12 30 1 13 24 1 13 26 1 14 24 1 14 27 1 15 25 1 15 28 1 16 20 1 17 22 1 24 17 -2 18 21 1 18 25 1 26 20 -1 21 29 1 30 22 -2 25 23 -1 26 30 1 27 28 1 27 30 1 28 29 1', '30 34 H 16.04 -10.78 C:53 15.93 -17.69 C:17 17.28 -12.55 O 13.47 -16.22 O 21.08 -11.84 O 14.39 -13.30 O 18.57 -10.41 C:144 19.34 -5.20 C:110 19.81 -6.61 C:141 17.43 -6.61 C:27 18.57 -13.30 C:26 17.28 -14.03 C:29 13.47 -13.30 C:27 14.72 -11.12 C:35 17.28 -9.64 O 15.93 -16.22 O 14.72 -11.84 O 19.81 -9.70 O 17.89 -5.20 C:173 14.72 -15.50 C:172 19.81 -11.12 C:177 15.08 -12.81 C:126 18.57 -7.46 C:74 13.47 -11.84 C:71 18.57 -8.90 C:42 14.72 -14.03 C:38 16.04 -11.84 C:39 17.28 -11.12 C:75 18.57 -11.84 C:43 16.04 -13.30 27 1 -2 2 16 1 28 3 -1 4 20 2 5 21 2 6 22 2 29 7 -1 8 9 2 8 19 1 9 23 1 10 19 1 10 23 2 11 12 1 11 29 1 12 30 1 13 24 1 13 26 1 14 24 1 14 27 1 15 25 1 15 28 1 16 20 1 17 22 1 24 17 -2 18 21 1 18 25 1 26 20 -1 21 29 1 30 22 -2 25 23 -1 26 30 1 27 28 1 27 30 1 28 29 1', 'C21H24O8', 404.228, 'D', 'ph08_2374_1', 3720, '', '', '1', 47, NULL, NULL),
(14588, 'Bafoudiosbulbins G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]14[CH2:1][C@H:2]2[CH2:3][C@H:4]([C:18](=O)O[CH3:18001])[C@:5]1([C:19](=O)O2)[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@:8]5(O)[C:17](=O)O[C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)[CH2:11][C@@:9]45[CH3:20]', '[H][C@@]14C[C@H]2C[C@H](C(=O)OC)[C@]1(C(=O)O2)[C@@H](OC(C)=O)C[C@@]5(O)C(=O)O[C@H](c3ccoc3)C[C@@]45C', '[H][C@@:31]14[CH2:26][C@H:73]2[CH2:29][C@H:39]([C:172](=O)O[CH3:52])[C@:45]1([C:172](=O)O2)[C@@H:67](O[C:169]([CH3:21])=O)[CH2:31][C@@:72]5(O)[C:170](=O)O[C@H:70]([c:125]3[cH:109][cH:144]o[cH:141]3)[CH2:36][C@@:45]45[CH3:19]', '34 38 H 16.02 -10.77 C:18001 15.91 -17.70 C:6002 18.57 -17.39 C:20 17.32 -12.54 O 19.78 -15.21 O 13.45 -16.21 O 21.09 -11.83 O 14.37 -13.29 O 18.57 -10.40 C:15 19.34 -5.16 C:14 19.78 -6.58 C:16 17.43 -6.58 C:3 13.45 -13.29 C:1 14.70 -11.11 C:11 17.32 -9.62 C:7 18.57 -13.29 O 15.91 -16.21 O 17.32 -15.42 O 14.70 -11.83 O 19.78 -9.68 O 17.89 -5.16 C:6001 18.57 -15.97 C:18 14.70 -15.49 C:17 19.78 -11.11 C:19 15.06 -12.80 C:13 18.57 -7.43 C:2 13.45 -11.83 C:12 18.57 -8.87 C:6 17.32 -14.02 C:4 14.70 -14.02 C:10 16.02 -11.83 C:9 17.32 -11.11 C:8 18.57 -11.83 C:5 16.02 -13.29 31 1 -2 2 17 1 3 22 1 32 4 -1 5 22 2 6 23 2 7 24 2 8 25 2 33 9 -1 10 11 2 10 21 1 11 26 1 12 21 1 12 26 2 13 27 1 13 30 1 14 27 1 14 31 1 15 28 1 15 32 1 16 29 1 16 33 1 17 23 1 18 22 1 29 18 -2 19 25 1 27 19 -2 20 24 1 20 28 1 30 23 -1 24 33 1 34 25 -2 28 26 -1 29 34 1 30 34 1 31 32 1 31 34 1 32 33 1', '34 38 H 16.02 -10.77 C 15.91 -17.70 C 18.57 -17.39 C 17.32 -12.54 O 19.78 -15.21 O 13.45 -16.21 O 21.09 -11.83 O 14.37 -13.29 O 18.57 -10.40 C 19.34 -5.16 C 19.78 -6.58 C 17.43 -6.58 C 13.45 -13.29 C 14.70 -11.11 C 17.32 -9.62 C 18.57 -13.29 O 15.91 -16.21 O 17.32 -15.42 O 14.70 -11.83 O 19.78 -9.68 O 17.89 -5.16 C 18.57 -15.97 C 14.70 -15.49 C 19.78 -11.11 C 15.06 -12.80 C 18.57 -7.43 C 13.45 -11.83 C 18.57 -8.87 C 17.32 -14.02 C 14.70 -14.02 C 16.02 -11.83 C 17.32 -11.11 C 18.57 -11.83 C 16.02 -13.29 31 1 -2 2 17 1 3 22 1 32 4 -1 5 22 2 6 23 2 7 24 2 8 25 2 33 9 -1 10 11 2 10 21 1 11 26 1 12 21 1 12 26 2 13 27 1 13 30 1 14 27 1 14 31 1 15 28 1 15 32 1 16 29 1 16 33 1 17 23 1 18 22 1 29 18 -2 19 25 1 27 19 -2 20 24 1 20 28 1 30 23 -1 24 33 1 34 25 -2 28 26 -1 29 34 1 30 34 1 31 32 1 31 34 1 32 33 1', '34 38 H 16.02 -10.77 C:52 15.91 -17.70 C:21 18.57 -17.39 C:19 17.32 -12.54 O 19.78 -15.21 O 13.45 -16.21 O 21.09 -11.83 O 14.37 -13.29 O 18.57 -10.40 C:144 19.34 -5.16 C:109 19.78 -6.58 C:141 17.43 -6.58 C:29 13.45 -13.29 C:26 14.70 -11.11 C:36 17.32 -9.62 C:31 18.57 -13.29 O 15.91 -16.21 O 17.32 -15.42 O 14.70 -11.83 O 19.78 -9.68 O 17.89 -5.16 C:169 18.57 -15.97 C:172 14.70 -15.49 C:170 19.78 -11.11 C:172 15.06 -12.80 C:125 18.57 -7.43 C:73 13.45 -11.83 C:70 18.57 -8.87 C:67 17.32 -14.02 C:39 14.70 -14.02 C:31 16.02 -11.83 C:45 17.32 -11.11 C:72 18.57 -11.83 C:45 16.02 -13.29 31 1 -2 2 17 1 3 22 1 32 4 -1 5 22 2 6 23 2 7 24 2 8 25 2 33 9 -1 10 11 2 10 21 1 11 26 1 12 21 1 12 26 2 13 27 1 13 30 1 14 27 1 14 31 1 15 28 1 15 32 1 16 29 1 16 33 1 17 23 1 18 22 1 29 18 -2 19 25 1 27 19 -2 20 24 1 20 28 1 30 23 -1 24 33 1 34 25 -2 28 26 -1 29 34 1 30 34 1 31 32 1 31 34 1 32 33 1', 'C23H26O10', 462.248, 'D', 'ph08_2374_2', 3720, '', '', '1', 47, NULL, NULL),
(14589, 'Bafoudiosbulbin B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]24[CH2:1][C@H:2]1[CH2:3][C@H:4]([C:18](=O)O1)[C@@:5]26[CH2:6][CH2:7][C@@:8]5(O)[C:17](=O)O[C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)[CH2:11][C@@:9]45[CH2:20]O[C:19]6=O', '[H][C@@]24C[C@H]1C[C@H](C(=O)O1)[C@@]26CC[C@@]5(O)C(=O)O[C@H](c3ccoc3)C[C@@]45COC6=O', '[H][C@@:37]24[CH2:27][C@H:74]1[CH2:28][C@H:45]([C:175](=O)O1)[C@@:44]26[CH2:27][CH2:29][C@@:75]5(O)[C:172](=O)O[C@H:71]([c:126]3[cH:110][cH:145]o[cH:141]3)[CH2:31][C@@:40]45[CH2:68]O[C:173]6=O', '29 34 H 16.63 -11.70 O 13.27 -16.30 O 17.58 -16.47 O 21.41 -12.71 O 19.03 -11.31 C:15 19.77 -6.44 C:14 20.22 -7.76 C:16 17.96 -7.73 C:7 19.03 -14.08 C:6 17.83 -14.78 C:20 17.43 -13.37 C:3 14.22 -14.08 C:1 15.45 -12.00 C:11 17.83 -10.61 O 18.27 -13.93 O 13.14 -13.84 O 20.22 -10.66 O 18.40 -6.42 C:18 13.91 -15.07 C:19 16.66 -15.45 C:17 20.22 -12.03 C:13 19.03 -8.54 C:2 14.22 -12.69 C:12 19.03 -9.90 C:4 15.45 -14.78 C:10 16.63 -12.69 C:8 19.03 -12.69 C:9 17.83 -12.00 C:5 16.63 -14.08 26 1 -2 2 19 2 3 20 2 4 21 2 27 5 -1 6 7 2 6 18 1 7 22 1 8 18 1 8 22 2 9 10 1 9 27 1 10 29 1 11 15 1 28 11 -1 12 23 1 12 25 1 13 23 1 13 26 1 14 24 1 14 28 1 15 20 1 16 19 1 23 16 -1 17 21 1 17 24 1 25 19 -1 29 20 -1 21 27 1 24 22 -1 25 29 1 26 28 1 26 29 1 27 28 1', '29 34 H 16.63 -11.70 O 13.27 -16.30 O 17.58 -16.47 O 21.41 -12.71 O 19.03 -11.31 C 19.77 -6.44 C 20.22 -7.76 C 17.96 -7.73 C 19.03 -14.08 C 17.83 -14.78 C 17.43 -13.37 C 14.22 -14.08 C 15.45 -12.00 C 17.83 -10.61 O 18.27 -13.93 O 13.14 -13.84 O 20.22 -10.66 O 18.40 -6.42 C 13.91 -15.07 C 16.66 -15.45 C 20.22 -12.03 C 19.03 -8.54 C 14.22 -12.69 C 19.03 -9.90 C 15.45 -14.78 C 16.63 -12.69 C 19.03 -12.69 C 17.83 -12.00 C 16.63 -14.08 26 1 -2 2 19 2 3 20 2 4 21 2 27 5 -1 6 7 2 6 18 1 7 22 1 8 18 1 8 22 2 9 10 1 9 27 1 10 29 1 11 15 1 28 11 -1 12 23 1 12 25 1 13 23 1 13 26 1 14 24 1 14 28 1 15 20 1 16 19 1 23 16 -1 17 21 1 17 24 1 25 19 -1 29 20 -1 21 27 1 24 22 -1 25 29 1 26 28 1 26 29 1 27 28 1', '29 34 H 16.63 -11.70 O 13.27 -16.30 O 17.58 -16.47 O 21.41 -12.71 O 19.03 -11.31 C:145 19.77 -6.44 C:110 20.22 -7.76 C:141 17.96 -7.73 C:29 19.03 -14.08 C:27 17.83 -14.78 C:68 17.43 -13.37 C:28 14.22 -14.08 C:27 15.45 -12.00 C:31 17.83 -10.61 O 18.27 -13.93 O 13.14 -13.84 O 20.22 -10.66 O 18.40 -6.42 C:175 13.91 -15.07 C:173 16.66 -15.45 C:172 20.22 -12.03 C:126 19.03 -8.54 C:74 14.22 -12.69 C:71 19.03 -9.90 C:45 15.45 -14.78 C:37 16.63 -12.69 C:75 19.03 -12.69 C:40 17.83 -12.00 C:44 16.63 -14.08 26 1 -2 2 19 2 3 20 2 4 21 2 27 5 -1 6 7 2 6 18 1 7 22 1 8 18 1 8 22 2 9 10 1 9 27 1 10 29 1 11 15 1 28 11 -1 12 23 1 12 25 1 13 23 1 13 26 1 14 24 1 14 28 1 15 20 1 16 19 1 23 16 -1 17 21 1 17 24 1 25 19 -1 29 20 -1 21 27 1 24 22 -1 25 29 1 26 28 1 26 29 1 27 28 1', 'C20H20O8', 388.217, 'P', 'ph08_2374_3', 3720, '', '', '1', 47, NULL, NULL),
(14590, 'Bafoudiosbulbin B acetate', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]24[CH2:1][C@H:2]1[CH2:3][C@H:4]([C:18](=O)O1)[C@@:5]26[CH2:6][CH2:7][C@@:8]5(O[C:8001]([CH3:8002])=O)[C:17](=O)O[C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)[CH2:11][C@@:9]45[CH2:20]O[C:19]6=O', '[H][C@@]24C[C@H]1C[C@H](C(=O)O1)[C@@]26CC[C@@]5(OC(C)=O)C(=O)O[C@H](c3ccoc3)C[C@@]45COC6=O', '[H][C@@:35]24[CH2:27][C@H:73]1[CH2:27][C@H:44]([C:174](=O)O1)[C@@:39]26[CH2:26][CH2:27][C@@:79]5(O[C:169]([CH3:20])=O)[C:167](=O)O[C@H:71]([c:125]3[cH:109][cH:144]o[cH:141]3)[CH2:31][C@@:44]45[CH2:67]O[C:171]6=O', '32 37 H 16.59 -11.67 C:8002 21.41 -15.46 O 18.98 -15.43 O 13.25 -16.27 O 17.54 -16.44 O 21.41 -12.69 C:15 19.73 -6.43 C:14 20.20 -7.75 C:16 17.92 -7.72 C:7 18.98 -14.05 C:6 17.79 -14.74 C:20 17.39 -13.34 C:3 14.18 -14.05 C:1 15.42 -11.97 C:11 17.79 -10.59 O 18.23 -13.90 O 13.12 -13.81 O 20.20 -10.64 O 20.20 -13.36 O 18.36 -6.41 C:8001 20.20 -14.75 C:18 13.88 -15.03 C:19 16.62 -15.42 C:17 20.20 -12.00 C:13 18.98 -8.53 C:2 14.18 -12.67 C:12 18.98 -9.88 C:4 15.42 -14.74 C:10 16.59 -12.67 C:8 18.98 -12.67 C:9 17.79 -11.97 C:5 16.59 -14.05 29 1 -2 2 21 1 3 21 2 4 22 2 5 23 2 6 24 2 7 8 2 7 20 1 8 25 1 9 20 1 9 25 2 10 11 1 10 30 1 11 32 1 12 16 1 31 12 -1 13 26 1 13 28 1 14 26 1 14 29 1 15 27 1 15 31 1 16 23 1 17 22 1 26 17 -1 18 24 1 18 27 1 19 21 1 30 19 -1 28 22 -1 32 23 -1 24 30 1 27 25 -1 28 32 1 29 31 1 29 32 1 30 31 1', '32 37 H 16.59 -11.67 C 21.41 -15.46 O 18.98 -15.43 O 13.25 -16.27 O 17.54 -16.44 O 21.41 -12.69 C 19.73 -6.43 C 20.20 -7.75 C 17.92 -7.72 C 18.98 -14.05 C 17.79 -14.74 C 17.39 -13.34 C 14.18 -14.05 C 15.42 -11.97 C 17.79 -10.59 O 18.23 -13.90 O 13.12 -13.81 O 20.20 -10.64 O 20.20 -13.36 O 18.36 -6.41 C 20.20 -14.75 C 13.88 -15.03 C 16.62 -15.42 C 20.20 -12.00 C 18.98 -8.53 C 14.18 -12.67 C 18.98 -9.88 C 15.42 -14.74 C 16.59 -12.67 C 18.98 -12.67 C 17.79 -11.97 C 16.59 -14.05 29 1 -2 2 21 1 3 21 2 4 22 2 5 23 2 6 24 2 7 8 2 7 20 1 8 25 1 9 20 1 9 25 2 10 11 1 10 30 1 11 32 1 12 16 1 31 12 -1 13 26 1 13 28 1 14 26 1 14 29 1 15 27 1 15 31 1 16 23 1 17 22 1 26 17 -1 18 24 1 18 27 1 19 21 1 30 19 -1 28 22 -1 32 23 -1 24 30 1 27 25 -1 28 32 1 29 31 1 29 32 1 30 31 1', '32 37 H 16.59 -11.67 C:20 21.41 -15.46 O 18.98 -15.43 O 13.25 -16.27 O 17.54 -16.44 O 21.41 -12.69 C:144 19.73 -6.43 C:109 20.20 -7.75 C:141 17.92 -7.72 C:27 18.98 -14.05 C:26 17.79 -14.74 C:67 17.39 -13.34 C:27 14.18 -14.05 C:27 15.42 -11.97 C:31 17.79 -10.59 O 18.23 -13.90 O 13.12 -13.81 O 20.20 -10.64 O 20.20 -13.36 O 18.36 -6.41 C:169 20.20 -14.75 C:174 13.88 -15.03 C:171 16.62 -15.42 C:167 20.20 -12.00 C:125 18.98 -8.53 C:73 14.18 -12.67 C:71 18.98 -9.88 C:44 15.42 -14.74 C:35 16.59 -12.67 C:79 18.98 -12.67 C:44 17.79 -11.97 C:39 16.59 -14.05 29 1 -2 2 21 1 3 21 2 4 22 2 5 23 2 6 24 2 7 8 2 7 20 1 8 25 1 9 20 1 9 25 2 10 11 1 10 30 1 11 32 1 12 16 1 31 12 -1 13 26 1 13 28 1 14 26 1 14 29 1 15 27 1 15 31 1 16 23 1 17 22 1 26 17 -1 18 24 1 18 27 1 19 21 1 30 19 -1 28 22 -1 32 23 -1 24 30 1 27 25 -1 28 32 1 29 31 1 29 32 1 30 31 1', 'C22H22O9', 430.238, 'A', 'ph08_2374_4', 3720, '', '', '1', 47, NULL, NULL),
(14591, '', 'Methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH:3]=[C:4]1[C:18](=O)O[CH2:19][C@:5]12[CH2:6][CH2:7][C@@H:8]([C:17](=O)O[CH3:17001])[C@:9]3([CH3:20])[CH2:11][CH2:12][c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]23CCC=C1C(=O)OC[C@]12CC[C@@H](C(=O)OC)[C@]3(C)CCc4ccoc4', '[H][C@:48]23[CH2:19][CH2:27][CH:136]=[C:138]1[C:169](=O)O[CH2:72][C@:45]12[CH2:33][CH2:22][C@@H:49]([C:174](=O)O[CH3:51])[C@:39]3([CH3:19])[CH2:40][CH2:18][c:125]4[cH:111][cH:143]o[cH:139]4', '27 30 H 15.40 -11.49 C:17001 21.54 -11.79 C:20 17.74 -10.85 O 12.97 -16.79 O 19.13 -10.35 C:3 12.97 -13.97 C:15 16.15 -6.09 C:14 16.54 -7.41 C:16 14.28 -7.41 C:2 12.97 -12.50 C:12 15.40 -9.63 C:7 17.95 -13.97 C:1 14.19 -11.79 C:11 16.63 -10.35 C:6 16.69 -14.68 C:19 16.15 -15.23 O 20.34 -12.50 O 15.54 -16.22 O 14.70 -6.09 C:18 14.19 -16.03 C:17 19.13 -11.79 C:4 14.19 -14.68 C:13 15.40 -8.23 C:8 17.95 -12.50 C:10 15.40 -12.50 C:9 16.63 -11.79 C:5 15.40 -13.97 25 1 -1 2 17 1 26 3 -2 4 20 2 5 21 2 6 10 1 6 22 2 7 8 2 7 19 1 8 23 1 9 19 1 9 23 2 10 13 1 11 14 1 11 23 1 12 15 1 12 24 1 13 25 1 14 26 1 15 27 1 16 18 1 27 16 -2 17 21 1 18 20 1 20 22 1 24 21 -2 22 27 1 24 26 1 25 26 1 25 27 1', '27 30 H 15.40 -11.49 C 21.54 -11.79 C 17.74 -10.85 O 12.97 -16.79 O 19.13 -10.35 C 12.97 -13.97 C 16.15 -6.09 C 16.54 -7.41 C 14.28 -7.41 C 12.97 -12.50 C 15.40 -9.63 C 17.95 -13.97 C 14.19 -11.79 C 16.63 -10.35 C 16.69 -14.68 C 16.15 -15.23 O 20.34 -12.50 O 15.54 -16.22 O 14.70 -6.09 C 14.19 -16.03 C 19.13 -11.79 C 14.19 -14.68 C 15.40 -8.23 C 17.95 -12.50 C 15.40 -12.50 C 16.63 -11.79 C 15.40 -13.97 25 1 -1 2 17 1 26 3 -2 4 20 2 5 21 2 6 10 1 6 22 2 7 8 2 7 19 1 8 23 1 9 19 1 9 23 2 10 13 1 11 14 1 11 23 1 12 15 1 12 24 1 13 25 1 14 26 1 15 27 1 16 18 1 27 16 -2 17 21 1 18 20 1 20 22 1 24 21 -2 22 27 1 24 26 1 25 26 1 25 27 1', '27 30 H 15.40 -11.49 C:51 21.54 -11.79 C:19 17.74 -10.85 O 12.97 -16.79 O 19.13 -10.35 C:136 12.97 -13.97 C:143 16.15 -6.09 C:111 16.54 -7.41 C:139 14.28 -7.41 C:27 12.97 -12.50 C:18 15.40 -9.63 C:22 17.95 -13.97 C:19 14.19 -11.79 C:40 16.63 -10.35 C:33 16.69 -14.68 C:72 16.15 -15.23 O 20.34 -12.50 O 15.54 -16.22 O 14.70 -6.09 C:169 14.19 -16.03 C:174 19.13 -11.79 C:138 14.19 -14.68 C:125 15.40 -8.23 C:49 17.95 -12.50 C:48 15.40 -12.50 C:39 16.63 -11.79 C:45 15.40 -13.97 25 1 -1 2 17 1 26 3 -2 4 20 2 5 21 2 6 10 1 6 22 2 7 8 2 7 19 1 8 23 1 9 19 1 9 23 2 10 13 1 11 14 1 11 23 1 12 15 1 12 24 1 13 25 1 14 26 1 15 27 1 16 18 1 27 16 -2 17 21 1 18 20 1 20 22 1 24 21 -2 22 27 1 24 26 1 25 26 1 25 27 1', 'C21H26O5', 358.23, 'C', 'pm07_1491_1', 4304, '', '', '1', 47, NULL, NULL);
