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
(15185, '14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol-A', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@@:10]13[C@@H:1](O)[CH2:2][CH2:3][C@@H:4]([CH:18]([CH3:19])[CH3:20])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]2([CH3:15])[C@@H:14](Br)[CH2:13][C:12](=O)[C@@:11]([CH3:16])(O)[C@:9]23[H]', '[H][C@@]13[C@@H](O)CC[C@@H](C(C)C)[C@@]1(CBr)CC[C@]2(C)[C@@H](Br)CC(=O)[C@@](C)(O)[C@]23[H]', '[H][C@@:50]13[C@@H:75](O)[CH2:29][CH2:23][C@@H:44]([CH:26]([CH3:21])[CH3:26])[C@@:42]1([CH2:38]Br)[CH2:28][CH2:36][C@:42]2([CH3:13])[C@@H:55](Br)[CH2:47][C:206](=O)[C@@:84]([CH3:26])(O)[C@:54]23[H]', '27 29 H 15.98 -10.41 H 17.22 -11.73 C:19 13.50 -15.72 C:20 15.98 -15.72 C:16 16.52 -8.05 C:15 18.47 -10.00 O 18.47 -7.15 O 14.74 -9.29 O 15.82 -9.29 Br 17.22 -15.00 Br 20.94 -11.42 C:2 13.50 -11.42 C:3 13.50 -12.86 C:17 15.98 -14.28 C:7 18.47 -12.86 C:6 17.22 -13.57 C:13 19.71 -9.29 C:12 18.47 -8.56 C:18 14.74 -15.00 C:1 14.74 -10.70 C:14 19.71 -10.70 C:4 14.74 -13.57 C:11 17.22 -9.29 C:8 18.47 -11.42 C:10 15.98 -11.42 C:9 17.22 -10.70 C:5 15.98 -12.86 25 1 -2 26 2 -1 3 19 1 4 19 1 23 5 -1 24 6 -2 7 18 2 20 8 -2 23 9 -2 10 14 1 21 11 -2 12 13 1 12 20 1 13 22 1 27 14 -1 15 16 1 15 24 1 16 27 1 17 18 1 17 21 1 18 23 1 22 19 -2 20 25 1 21 24 1 22 27 1 23 26 1 24 26 1 25 26 1 25 27 1', '27 29 H 15.98 -10.41 H 17.22 -11.73 C 13.50 -15.72 C 15.98 -15.72 C 16.52 -8.05 C 18.47 -10.00 O 18.47 -7.15 O 14.74 -9.29 O 15.82 -9.29 Br 17.22 -15.00 Br 20.94 -11.42 C 13.50 -11.42 C 13.50 -12.86 C 15.98 -14.28 C 18.47 -12.86 C 17.22 -13.57 C 19.71 -9.29 C 18.47 -8.56 C 14.74 -15.00 C 14.74 -10.70 C 19.71 -10.70 C 14.74 -13.57 C 17.22 -9.29 C 18.47 -11.42 C 15.98 -11.42 C 17.22 -10.70 C 15.98 -12.86 25 1 -2 26 2 -1 3 19 1 4 19 1 23 5 -1 24 6 -2 7 18 2 20 8 -2 23 9 -2 10 14 1 21 11 -2 12 13 1 12 20 1 13 22 1 27 14 -1 15 16 1 15 24 1 16 27 1 17 18 1 17 21 1 18 23 1 22 19 -2 20 25 1 21 24 1 22 27 1 23 26 1 24 26 1 25 26 1 25 27 1', '27 29 H 15.98 -10.41 H 17.22 -11.73 C:21 13.50 -15.72 C:26 15.98 -15.72 C:26 16.52 -8.05 C:13 18.47 -10.00 O 18.47 -7.15 O 14.74 -9.29 O 15.82 -9.29 Br 17.22 -15.00 Br 20.94 -11.42 C:29 13.50 -11.42 C:23 13.50 -12.86 C:38 15.98 -14.28 C:36 18.47 -12.86 C:28 17.22 -13.57 C:47 19.71 -9.29 C:206 18.47 -8.56 C:26 14.74 -15.00 C:75 14.74 -10.70 C:55 19.71 -10.70 C:44 14.74 -13.57 C:84 17.22 -9.29 C:42 18.47 -11.42 C:50 15.98 -11.42 C:54 17.22 -10.70 C:42 15.98 -12.86 25 1 -2 26 2 -1 3 19 1 4 19 1 23 5 -1 24 6 -2 7 18 2 20 8 -2 23 9 -2 10 14 1 21 11 -2 12 13 1 12 20 1 13 22 1 27 14 -1 15 16 1 15 24 1 16 27 1 17 18 1 17 21 1 18 23 1 22 19 -2 20 25 1 21 24 1 22 27 1 23 26 1 24 26 1 25 26 1 25 27 1', 'C20H32Br2O3', 480.036, 'C', 'np08_1386_5', 3835, '', '', '1', 47, NULL, NULL),
(15186, '1S-Hydroxy-1,2-dihydrobromosphaerol', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@@:10]13[C@@H:1](O)[CH2:2][CH2:3][C@@H:4]([CH:18]([CH3:20])[CH3:19])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]2([CH3:15])[C@@H:14](Br)[CH2:13][CH2:12][C@@:11]([CH3:16])(O)[C@:9]23[H]', '[H][C@@]13[C@@H](O)CC[C@@H](C(C)C)[C@@]1(CBr)CC[C@]2(C)[C@@H](Br)CC[C@@](C)(O)[C@]23[H]', '[H][C@@:46]13[C@@H:67](O)[CH2:34][CH2:19][C@@H:43]([CH:27]([CH3:26])[CH3:21])[C@@:44]1([CH2:41]Br)[CH2:28][CH2:37][C@:42]2([CH3:15])[C@@H:70](Br)[CH2:30][CH2:45][C@@:72]([CH3:32])(O)[C@:52]23[H]', '26 28 H 16.03 -9.96 H 17.27 -11.28 C:20 16.03 -15.27 C:19 13.55 -15.27 C:16 16.57 -7.60 C:15 18.52 -9.55 O 14.79 -8.84 O 15.87 -8.84 Br 17.27 -14.55 Br 20.99 -10.97 C:17 16.03 -13.83 C:2 13.55 -10.97 C:3 13.55 -12.41 C:13 19.76 -8.84 C:12 18.52 -8.11 C:7 18.52 -12.41 C:6 17.27 -13.12 C:18 14.79 -14.55 C:1 14.79 -10.25 C:14 19.76 -10.25 C:4 14.79 -13.12 C:11 17.27 -8.84 C:8 18.52 -10.97 C:10 16.03 -10.97 C:9 17.27 -10.25 C:5 16.03 -12.41 24 1 -2 25 2 -1 3 18 1 4 18 1 22 5 -1 23 6 -2 19 7 -2 22 8 -2 9 11 1 20 10 -2 26 11 -1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 22 1 16 17 1 16 23 1 17 26 1 21 18 -2 19 24 1 20 23 1 21 26 1 22 25 1 23 25 1 24 25 1 24 26 1', '26 28 H 16.03 -9.96 H 17.27 -11.28 C 16.03 -15.27 C 13.55 -15.27 C 16.57 -7.60 C 18.52 -9.55 O 14.79 -8.84 O 15.87 -8.84 Br 17.27 -14.55 Br 20.99 -10.97 C 16.03 -13.83 C 13.55 -10.97 C 13.55 -12.41 C 19.76 -8.84 C 18.52 -8.11 C 18.52 -12.41 C 17.27 -13.12 C 14.79 -14.55 C 14.79 -10.25 C 19.76 -10.25 C 14.79 -13.12 C 17.27 -8.84 C 18.52 -10.97 C 16.03 -10.97 C 17.27 -10.25 C 16.03 -12.41 24 1 -2 25 2 -1 3 18 1 4 18 1 22 5 -1 23 6 -2 19 7 -2 22 8 -2 9 11 1 20 10 -2 26 11 -1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 22 1 16 17 1 16 23 1 17 26 1 21 18 -2 19 24 1 20 23 1 21 26 1 22 25 1 23 25 1 24 25 1 24 26 1', '26 28 H 16.03 -9.96 H 17.27 -11.28 C:26 16.03 -15.27 C:21 13.55 -15.27 C:32 16.57 -7.60 C:15 18.52 -9.55 O 14.79 -8.84 O 15.87 -8.84 Br 17.27 -14.55 Br 20.99 -10.97 C:41 16.03 -13.83 C:34 13.55 -10.97 C:19 13.55 -12.41 C:30 19.76 -8.84 C:45 18.52 -8.11 C:37 18.52 -12.41 C:28 17.27 -13.12 C:27 14.79 -14.55 C:67 14.79 -10.25 C:70 19.76 -10.25 C:43 14.79 -13.12 C:72 17.27 -8.84 C:42 18.52 -10.97 C:46 16.03 -10.97 C:52 17.27 -10.25 C:44 16.03 -12.41 24 1 -2 25 2 -1 3 18 1 4 18 1 22 5 -1 23 6 -2 19 7 -2 22 8 -2 9 11 1 20 10 -2 26 11 -1 12 13 1 12 19 1 13 21 1 14 15 1 14 20 1 15 22 1 16 17 1 16 23 1 17 26 1 21 18 -2 19 24 1 20 23 1 21 26 1 22 25 1 23 25 1 24 25 1 24 26 1', 'C20H34Br2O2', 466.037, 'C', 'np08_1386_6', 3835, '', '', '1', 47, NULL, NULL),
(15187, 'Bromosphaerol', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@@:10]12[CH2:1][CH:2]=[CH:3][C@@H:4]([CH:18]([CH3:19])[CH3:20])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]3([CH3:15])[C@@H:14](Br)[CH2:13][CH2:12][C@@:11]([CH3:16])(O)[C@@:9]23[H]', '[H][C@@]12CC=C[C@@H](C(C)C)[C@@]1(CBr)CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@]23[H]', '[H][C@@:35]12[CH2:30][CH:126]=[CH:125][C@@H:46]([CH:28]([CH3:19])[CH3:24])[C@@:40]1([CH2:41]Br)[CH2:26][CH2:37][C@:41]3([CH3:16])[C@@H:69](Br)[CH2:30][CH2:46][C@@:73]([CH3:36])(O)[C@@:53]23[H]', '25 27 H 16.03 -9.96 H 17.27 -11.28 C:19 13.55 -15.27 C:20 16.03 -15.27 C:16 16.57 -7.60 C:15 18.53 -9.55 O 15.87 -8.84 Br 17.27 -14.55 Br 21.00 -10.97 C:2 13.55 -10.97 C:3 13.55 -12.41 C:17 16.03 -13.83 C:1 14.79 -10.25 C:13 19.77 -8.84 C:12 18.53 -8.11 C:7 18.53 -12.41 C:6 17.27 -13.12 C:18 14.79 -14.55 C:14 19.77 -10.25 C:4 14.79 -13.12 C:11 17.27 -8.84 C:10 16.03 -10.97 C:8 18.53 -10.97 C:9 17.27 -10.25 C:5 16.03 -12.41 22 1 -2 24 2 -1 3 18 1 4 18 1 21 5 -1 23 6 -2 21 7 -2 8 12 1 19 9 -2 10 11 2 10 13 1 11 20 1 25 12 -1 13 22 1 14 15 1 14 19 1 15 21 1 16 17 1 16 23 1 17 25 1 20 18 -2 19 23 1 20 25 1 21 24 1 22 24 1 22 25 1 23 24 1', '25 27 H 16.03 -9.96 H 17.27 -11.28 C 13.55 -15.27 C 16.03 -15.27 C 16.57 -7.60 C 18.53 -9.55 O 15.87 -8.84 Br 17.27 -14.55 Br 21.00 -10.97 C 13.55 -10.97 C 13.55 -12.41 C 16.03 -13.83 C 14.79 -10.25 C 19.77 -8.84 C 18.53 -8.11 C 18.53 -12.41 C 17.27 -13.12 C 14.79 -14.55 C 19.77 -10.25 C 14.79 -13.12 C 17.27 -8.84 C 16.03 -10.97 C 18.53 -10.97 C 17.27 -10.25 C 16.03 -12.41 22 1 -2 24 2 -1 3 18 1 4 18 1 21 5 -1 23 6 -2 21 7 -2 8 12 1 19 9 -2 10 11 2 10 13 1 11 20 1 25 12 -1 13 22 1 14 15 1 14 19 1 15 21 1 16 17 1 16 23 1 17 25 1 20 18 -2 19 23 1 20 25 1 21 24 1 22 24 1 22 25 1 23 24 1', '25 27 H 16.03 -9.96 H 17.27 -11.28 C:19 13.55 -15.27 C:24 16.03 -15.27 C:36 16.57 -7.60 C:16 18.53 -9.55 O 15.87 -8.84 Br 17.27 -14.55 Br 21.00 -10.97 C:126 13.55 -10.97 C:125 13.55 -12.41 C:41 16.03 -13.83 C:30 14.79 -10.25 C:30 19.77 -8.84 C:46 18.53 -8.11 C:37 18.53 -12.41 C:26 17.27 -13.12 C:28 14.79 -14.55 C:69 19.77 -10.25 C:46 14.79 -13.12 C:73 17.27 -8.84 C:35 16.03 -10.97 C:41 18.53 -10.97 C:53 17.27 -10.25 C:40 16.03 -12.41 22 1 -2 24 2 -1 3 18 1 4 18 1 21 5 -1 23 6 -2 21 7 -2 8 12 1 19 9 -2 10 11 2 10 13 1 11 20 1 25 12 -1 13 22 1 14 15 1 14 19 1 15 21 1 16 17 1 16 23 1 17 25 1 20 18 -2 19 23 1 20 25 1 21 24 1 22 24 1 22 25 1 23 24 1', 'C20H32Br2O', 448.037, 'C', 'tt08_5184_1', 3836, '', '', '1', 47, NULL, NULL),
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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
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(15219, 'Camelliol A acetate', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C:14]([CH3:27])=[C:13]2[CH2:12][CH2:11][CH:9]=[C:8]([CH3:26])[CH2:7][CH2:6][C@@H:5]3[C:10]([CH3:25])=[CH:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:24])[CH3:23]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C)CCC(C)=C2CCC=C(C)CC[C@@H]3C(C)=CC[C@H](OC(C)=O)[C@@]3(C)C', '[H][C@@:42]12[CH2:43][C@@:31]([CH3:33])([CH3:24])[CH2:35][CH2:37][C@:31]1([CH3:27])[CH2:27][CH2:30][C:124]([CH3:19])=[C:134]2[CH2:32][CH2:27][CH:125]=[C:135]([CH3:16])[CH2:42][CH2:27][C@@H:49]3[C:137]([CH3:23])=[CH:118][CH2:29][C@H:77](O[C:171]([CH3:21])=O)[C@@:37]3([CH3:18])[CH3:26]', '35 37 H 23.98 -12.56 C:3002 8.10 -12.22 C:26 17.88 -13.67 C:25 15.44 -9.41 C:27 21.54 -14.37 C:29 26.20 -8.43 C:30 24.20 -8.43 C:24 11.99 -13.26 C:23 14.00 -13.26 C:28 25.21 -10.83 O 9.32 -10.12 C:9 19.08 -11.55 C:1 13.00 -9.41 C:11 20.30 -12.22 C:2 11.76 -10.12 C:12 21.54 -11.55 C:7 16.66 -11.55 C:15 23.98 -14.37 C:6 15.44 -12.22 C:16 25.21 -13.67 C:21 26.43 -10.12 C:22 26.43 -11.53 C:19 23.98 -10.12 O 10.53 -12.22 C:3001 9.32 -11.53 C:8 17.88 -12.22 C:10 14.22 -10.12 C:14 22.76 -13.67 C:13 22.76 -12.22 C:3 11.76 -11.55 C:5 14.22 -11.55 C:20 25.21 -9.41 C:4 13.00 -12.22 C:17 25.21 -12.22 C:18 23.98 -11.55 35 1 -1 2 25 1 3 26 1 4 27 1 5 28 1 32 6 -2 32 7 -1 33 8 -1 33 9 -2 34 10 -1 11 25 2 12 14 1 12 26 2 13 15 1 13 27 2 14 16 1 15 30 1 16 29 1 17 19 1 17 26 1 18 20 1 18 28 1 31 19 -1 20 34 1 21 22 1 21 32 1 22 34 1 23 32 1 23 35 1 24 25 1 30 24 -1 27 31 1 28 29 2 29 35 1 30 33 1 31 33 1 34 35 1', '35 37 H 23.98 -12.56 C 8.10 -12.22 C 17.88 -13.67 C 15.44 -9.41 C 21.54 -14.37 C 26.20 -8.43 C 24.20 -8.43 C 11.99 -13.26 C 14.00 -13.26 C 25.21 -10.83 O 9.32 -10.12 C 19.08 -11.55 C 13.00 -9.41 C 20.30 -12.22 C 11.76 -10.12 C 21.54 -11.55 C 16.66 -11.55 C 23.98 -14.37 C 15.44 -12.22 C 25.21 -13.67 C 26.43 -10.12 C 26.43 -11.53 C 23.98 -10.12 O 10.53 -12.22 C 9.32 -11.53 C 17.88 -12.22 C 14.22 -10.12 C 22.76 -13.67 C 22.76 -12.22 C 11.76 -11.55 C 14.22 -11.55 C 25.21 -9.41 C 13.00 -12.22 C 25.21 -12.22 C 23.98 -11.55 35 1 -1 2 25 1 3 26 1 4 27 1 5 28 1 32 6 -2 32 7 -1 33 8 -1 33 9 -2 34 10 -1 11 25 2 12 14 1 12 26 2 13 15 1 13 27 2 14 16 1 15 30 1 16 29 1 17 19 1 17 26 1 18 20 1 18 28 1 31 19 -1 20 34 1 21 22 1 21 32 1 22 34 1 23 32 1 23 35 1 24 25 1 30 24 -1 27 31 1 28 29 2 29 35 1 30 33 1 31 33 1 34 35 1', '35 37 H 23.98 -12.56 C:21 8.10 -12.22 C:16 17.88 -13.67 C:23 15.44 -9.41 C:19 21.54 -14.37 C:33 26.20 -8.43 C:24 24.20 -8.43 C:18 11.99 -13.26 C:26 14.00 -13.26 C:27 25.21 -10.83 O 9.32 -10.12 C:125 19.08 -11.55 C:118 13.00 -9.41 C:27 20.30 -12.22 C:29 11.76 -10.12 C:32 21.54 -11.55 C:42 16.66 -11.55 C:30 23.98 -14.37 C:27 15.44 -12.22 C:27 25.21 -13.67 C:35 26.43 -10.12 C:37 26.43 -11.53 C:43 23.98 -10.12 O 10.53 -12.22 C:171 9.32 -11.53 C:135 17.88 -12.22 C:137 14.22 -10.12 C:124 22.76 -13.67 C:134 22.76 -12.22 C:77 11.76 -11.55 C:49 14.22 -11.55 C:31 25.21 -9.41 C:37 13.00 -12.22 C:31 25.21 -12.22 C:42 23.98 -11.55 35 1 -1 2 25 1 3 26 1 4 27 1 5 28 1 32 6 -2 32 7 -1 33 8 -1 33 9 -2 34 10 -1 11 25 2 12 14 1 12 26 2 13 15 1 13 27 2 14 16 1 15 30 1 16 29 1 17 19 1 17 26 1 18 20 1 18 28 1 31 19 -1 20 34 1 21 22 1 21 32 1 22 34 1 23 32 1 23 35 1 24 25 1 30 24 -1 27 31 1 28 29 2 29 35 1 30 33 1 31 33 1 34 35 1', 'C32H52O2', 468.349, 'C', 'np99_265_2', 3843, '', '', '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
(15220, 'Camelliol B', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C:14]([CH3:27])=[C:13]2[CH2:12][CH2:11][CH:9]=[C:8]([CH3:26])[CH2:7][CH2:6][C:5](=[C:4]([CH3:24])[CH3:23])[CH:10]([CH3:25])[CH2:1][CH2:2][CH2:3]O', '[H][C@@]12C[C@](C)(C)CC[C@]1(C)CCC(C)=C2CCC=C(C)CCC(=C(C)C)C(C)CCCO', '[H][C@@:42]12[CH2:43][C@:31]([CH3:24])([CH3:33])[CH2:35][CH2:37][C@:31]1([CH3:27])[CH2:27][CH2:30][C:124]([CH3:19])=[C:134]2[CH2:32][CH2:27][CH:124]=[C:136]([CH3:16])[CH2:40][CH2:27][C:135](=[C:125]([CH3:21])[CH3:20])[CH:36]([CH3:20])[CH2:32][CH2:31][CH2:63]O', '32 33 H 23.33 -12.60 C:24 12.36 -13.70 C:23 11.13 -11.60 C:26 17.23 -13.71 C:27 20.89 -14.41 C:25 14.80 -9.45 C:30 23.55 -8.47 C:29 25.54 -8.45 C:28 24.54 -10.86 O 8.69 -10.19 C:9 18.44 -11.58 C:3 9.90 -9.48 C:11 19.66 -12.29 C:2 11.13 -10.17 C:12 20.89 -11.58 C:7 16.02 -11.58 C:6 14.80 -12.29 C:15 23.33 -14.41 C:1 12.36 -9.45 C:16 24.55 -13.70 C:21 25.77 -10.16 C:22 25.77 -11.57 C:19 23.33 -10.17 C:4 12.36 -12.29 C:8 17.23 -12.29 C:14 22.12 -13.71 C:5 13.58 -11.58 C:13 22.12 -12.29 C:10 13.58 -10.17 C:20 24.54 -9.45 C:18 23.33 -11.58 C:17 24.54 -12.28 31 1 -1 2 24 1 3 24 1 4 25 1 5 26 1 6 29 1 30 7 -1 30 8 -2 32 9 -1 10 12 1 11 13 1 11 25 2 12 14 1 13 15 1 14 19 1 15 28 1 16 17 1 16 25 1 17 27 1 18 20 1 18 26 1 19 29 1 20 32 1 21 22 1 21 30 1 22 32 1 23 30 1 23 31 1 24 27 2 26 28 2 27 29 1 28 31 1 31 32 1', '32 33 H 23.33 -12.60 C 12.36 -13.70 C 11.13 -11.60 C 17.23 -13.71 C 20.89 -14.41 C 14.80 -9.45 C 23.55 -8.47 C 25.54 -8.45 C 24.54 -10.86 O 8.69 -10.19 C 18.44 -11.58 C 9.90 -9.48 C 19.66 -12.29 C 11.13 -10.17 C 20.89 -11.58 C 16.02 -11.58 C 14.80 -12.29 C 23.33 -14.41 C 12.36 -9.45 C 24.55 -13.70 C 25.77 -10.16 C 25.77 -11.57 C 23.33 -10.17 C 12.36 -12.29 C 17.23 -12.29 C 22.12 -13.71 C 13.58 -11.58 C 22.12 -12.29 C 13.58 -10.17 C 24.54 -9.45 C 23.33 -11.58 C 24.54 -12.28 31 1 -1 2 24 1 3 24 1 4 25 1 5 26 1 6 29 1 30 7 -1 30 8 -2 32 9 -1 10 12 1 11 13 1 11 25 2 12 14 1 13 15 1 14 19 1 15 28 1 16 17 1 16 25 1 17 27 1 18 20 1 18 26 1 19 29 1 20 32 1 21 22 1 21 30 1 22 32 1 23 30 1 23 31 1 24 27 2 26 28 2 27 29 1 28 31 1 31 32 1', '32 33 H 23.33 -12.60 C:21 12.36 -13.70 C:20 11.13 -11.60 C:16 17.23 -13.71 C:19 20.89 -14.41 C:20 14.80 -9.45 C:24 23.55 -8.47 C:33 25.54 -8.45 C:27 24.54 -10.86 O 8.69 -10.19 C:124 18.44 -11.58 C:63 9.90 -9.48 C:27 19.66 -12.29 C:31 11.13 -10.17 C:32 20.89 -11.58 C:40 16.02 -11.58 C:27 14.80 -12.29 C:30 23.33 -14.41 C:32 12.36 -9.45 C:27 24.55 -13.70 C:35 25.77 -10.16 C:37 25.77 -11.57 C:43 23.33 -10.17 C:125 12.36 -12.29 C:136 17.23 -12.29 C:124 22.12 -13.71 C:135 13.58 -11.58 C:134 22.12 -12.29 C:36 13.58 -10.17 C:31 24.54 -9.45 C:42 23.33 -11.58 C:31 24.54 -12.28 31 1 -1 2 24 1 3 24 1 4 25 1 5 26 1 6 29 1 30 7 -1 30 8 -2 32 9 -1 10 12 1 11 13 1 11 25 2 12 14 1 13 15 1 14 19 1 15 28 1 16 17 1 16 25 1 17 27 1 18 20 1 18 26 1 19 29 1 20 32 1 21 22 1 21 30 1 22 32 1 23 30 1 23 31 1 24 27 2 26 28 2 27 29 1 28 31 1 31 32 1', 'C30H52O', 428.328, 'C', 'np99_265_3', 3843, '', '', '1', 47, NULL, NULL),
(15221, 'Camelliol B acetate', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C:14]([CH3:27])=[C:13]2[CH2:12][CH2:11][CH:9]=[C:8]([CH3:26])[CH2:7][CH2:6][C:5](=[C:4]([CH3:24])[CH3:23])[CH:10]([CH3:25])[CH2:1][CH2:2][CH2:3]O[C:3001]([CH3:3002])=O', '[H][C@@]12C[C@](C)(C)CC[C@]1(C)CCC(C)=C2CCC=C(C)CCC(=C(C)C)C(C)CCCOC(C)=O', '[H][C@@:42]12[CH2:43][C@:31]([CH3:24])([CH3:33])[CH2:35][CH2:37][C@:31]1([CH3:27])[CH2:27][CH2:30][C:124]([CH3:19])=[C:134]2[CH2:32][CH2:27][CH:124]=[C:136]([CH3:16])[CH2:40][CH2:27][C:135](=[C:126]([CH3:21])[CH3:20])[CH:36]([CH3:20])[CH2:32][CH2:27][CH2:65]O[C:171]([CH3:21])=O', '35 36 H 24.57 -12.77 C:24 13.59 -13.87 C:23 12.36 -11.77 C:3002 7.50 -10.38 C:26 18.46 -13.88 C:27 22.13 -14.58 C:25 16.03 -9.62 C:30 24.79 -8.64 C:29 26.78 -8.62 C:28 25.78 -11.03 O 8.70 -8.27 C:9 19.68 -11.75 C:11 20.90 -12.46 C:2 12.36 -10.34 C:3 11.13 -9.65 C:12 22.13 -11.75 C:7 17.25 -11.75 C:6 16.03 -12.46 C:15 24.57 -14.58 C:1 13.59 -9.62 C:16 25.79 -13.87 C:21 27.01 -10.33 C:22 27.01 -11.74 C:19 24.57 -10.34 O 9.92 -10.36 C:4 13.59 -12.46 C:3001 8.70 -9.67 C:8 18.46 -12.46 C:14 23.36 -13.88 C:5 14.81 -11.75 C:13 23.36 -12.46 C:10 14.81 -10.34 C:20 25.78 -9.62 C:17 25.78 -12.45 C:18 24.57 -11.75 35 1 -1 2 26 1 3 26 1 4 27 1 5 28 1 6 29 1 7 32 1 33 8 -1 33 9 -2 34 10 -1 11 27 2 12 13 1 12 28 2 13 16 1 14 15 1 14 20 1 15 25 1 16 31 1 17 18 1 17 28 1 18 30 1 19 21 1 19 29 1 20 32 1 21 34 1 22 23 1 22 33 1 23 34 1 24 33 1 24 35 1 25 27 1 26 30 2 29 31 2 30 32 1 31 35 1 34 35 1', '35 36 H 24.57 -12.77 C 13.59 -13.87 C 12.36 -11.77 C 7.50 -10.38 C 18.46 -13.88 C 22.13 -14.58 C 16.03 -9.62 C 24.79 -8.64 C 26.78 -8.62 C 25.78 -11.03 O 8.70 -8.27 C 19.68 -11.75 C 20.90 -12.46 C 12.36 -10.34 C 11.13 -9.65 C 22.13 -11.75 C 17.25 -11.75 C 16.03 -12.46 C 24.57 -14.58 C 13.59 -9.62 C 25.79 -13.87 C 27.01 -10.33 C 27.01 -11.74 C 24.57 -10.34 O 9.92 -10.36 C 13.59 -12.46 C 8.70 -9.67 C 18.46 -12.46 C 23.36 -13.88 C 14.81 -11.75 C 23.36 -12.46 C 14.81 -10.34 C 25.78 -9.62 C 25.78 -12.45 C 24.57 -11.75 35 1 -1 2 26 1 3 26 1 4 27 1 5 28 1 6 29 1 7 32 1 33 8 -1 33 9 -2 34 10 -1 11 27 2 12 13 1 12 28 2 13 16 1 14 15 1 14 20 1 15 25 1 16 31 1 17 18 1 17 28 1 18 30 1 19 21 1 19 29 1 20 32 1 21 34 1 22 23 1 22 33 1 23 34 1 24 33 1 24 35 1 25 27 1 26 30 2 29 31 2 30 32 1 31 35 1 34 35 1', '35 36 H 24.57 -12.77 C:21 13.59 -13.87 C:20 12.36 -11.77 C:21 7.50 -10.38 C:16 18.46 -13.88 C:19 22.13 -14.58 C:20 16.03 -9.62 C:24 24.79 -8.64 C:33 26.78 -8.62 C:27 25.78 -11.03 O 8.70 -8.27 C:124 19.68 -11.75 C:27 20.90 -12.46 C:27 12.36 -10.34 C:65 11.13 -9.65 C:32 22.13 -11.75 C:40 17.25 -11.75 C:27 16.03 -12.46 C:30 24.57 -14.58 C:32 13.59 -9.62 C:27 25.79 -13.87 C:35 27.01 -10.33 C:37 27.01 -11.74 C:43 24.57 -10.34 O 9.92 -10.36 C:126 13.59 -12.46 C:171 8.70 -9.67 C:136 18.46 -12.46 C:124 23.36 -13.88 C:135 14.81 -11.75 C:134 23.36 -12.46 C:36 14.81 -10.34 C:31 25.78 -9.62 C:31 25.78 -12.45 C:42 24.57 -11.75 35 1 -1 2 26 1 3 26 1 4 27 1 5 28 1 6 29 1 7 32 1 33 8 -1 33 9 -2 34 10 -1 11 27 2 12 13 1 12 28 2 13 16 1 14 15 1 14 20 1 15 25 1 16 31 1 17 18 1 17 28 1 18 30 1 19 21 1 19 29 1 20 32 1 21 34 1 22 23 1 22 33 1 23 34 1 24 33 1 24 35 1 25 27 1 26 30 2 29 31 2 30 32 1 31 35 1 34 35 1', 'C32H54O2', 470.349, 'C', 'np99_265_4', 3843, '', '', '1', 47, NULL, NULL),
(15222, 'Camelliol C', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[CH3:29][C:22]([CH3:30])=[CH:21][CH2:20][CH2:19][C:18]([CH3:28])=[CH:17][CH2:16][CH2:15][C:14]([CH3:27])=[CH:13][CH2:12][CH2:11][CH:9]=[C:8]([CH3:26])[CH2:7][CH2:6][C@@H:5]1[C:10]([CH3:25])=[CH:1][CH2:2][C@H:3](O)[C@:4]1([CH3:23])[CH3:24]', 'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CC[C@@H]1C(C)=CC[C@H](O)[C@]1(C)C', '[CH3:18][C:131]([CH3:26])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:124][CH2:28][CH2:28][CH:125]=[C:135]([CH3:16])[CH2:42][CH2:27][C@@H:49]1[C:137]([CH3:23])=[CH:118][CH2:32][C@H:75](O)[C@:38]1([CH3:25])[CH3:16]', '31 31 C:29 28.13 -10.01 C:30 29.35 -12.11 C:27 18.42 -10.01 C:28 23.27 -10.01 C:26 12.36 -13.51 C:25 9.95 -9.31 C:23 8.52 -13.11 C:24 6.54 -13.11 O 5.11 -12.11 C:21 26.91 -12.11 C:13 17.21 -12.11 C:9 13.57 -11.41 C:17 22.06 -12.11 C:1 7.53 -9.31 C:12 16.00 -11.41 C:11 14.78 -12.11 C:20 25.70 -11.41 C:16 20.85 -11.41 C:2 6.32 -10.01 C:19 24.49 -12.11 C:15 19.63 -12.11 C:7 11.16 -11.41 C:6 9.95 -12.11 C:22 28.13 -11.41 C:14 18.42 -11.41 C:18 23.27 -11.41 C:8 12.36 -12.11 C:10 8.74 -10.01 C:3 6.32 -11.41 C:5 8.74 -11.41 C:4 7.53 -12.11 1 24 1 2 24 1 3 25 1 4 26 1 5 27 1 6 28 1 31 7 -2 31 8 -1 29 9 -1 10 17 1 10 24 2 11 15 1 11 25 2 12 16 1 12 27 2 13 18 1 13 26 2 14 19 1 14 28 2 15 16 1 17 20 1 18 21 1 19 29 1 20 26 1 21 25 1 22 23 1 22 27 1 30 23 -1 28 30 1 29 31 1 30 31 1', '31 31 C 28.13 -10.01 C 29.35 -12.11 C 18.42 -10.01 C 23.27 -10.01 C 12.36 -13.51 C 9.95 -9.31 C 8.52 -13.11 C 6.54 -13.11 O 5.11 -12.11 C 26.91 -12.11 C 17.21 -12.11 C 13.57 -11.41 C 22.06 -12.11 C 7.53 -9.31 C 16.00 -11.41 C 14.78 -12.11 C 25.70 -11.41 C 20.85 -11.41 C 6.32 -10.01 C 24.49 -12.11 C 19.63 -12.11 C 11.16 -11.41 C 9.95 -12.11 C 28.13 -11.41 C 18.42 -11.41 C 23.27 -11.41 C 12.36 -12.11 C 8.74 -10.01 C 6.32 -11.41 C 8.74 -11.41 C 7.53 -12.11 1 24 1 2 24 1 3 25 1 4 26 1 5 27 1 6 28 1 31 7 -2 31 8 -1 29 9 -1 10 17 1 10 24 2 11 15 1 11 25 2 12 16 1 12 27 2 13 18 1 13 26 2 14 19 1 14 28 2 15 16 1 17 20 1 18 21 1 19 29 1 20 26 1 21 25 1 22 23 1 22 27 1 30 23 -1 28 30 1 29 31 1 30 31 1', '31 31 C:18 28.13 -10.01 C:26 29.35 -12.11 C:16 18.42 -10.01 C:16 23.27 -10.01 C:16 12.36 -13.51 C:23 9.95 -9.31 C:25 8.52 -13.11 C:16 6.54 -13.11 O 5.11 -12.11 C:124 26.91 -12.11 C:124 17.21 -12.11 C:125 13.57 -11.41 C:124 22.06 -12.11 C:118 7.53 -9.31 C:28 16.00 -11.41 C:28 14.78 -12.11 C:27 25.70 -11.41 C:27 20.85 -11.41 C:32 6.32 -10.01 C:40 24.49 -12.11 C:40 19.63 -12.11 C:42 11.16 -11.41 C:27 9.95 -12.11 C:131 28.13 -11.41 C:135 18.42 -11.41 C:135 23.27 -11.41 C:135 12.36 -12.11 C:137 8.74 -10.01 C:75 6.32 -11.41 C:49 8.74 -11.41 C:38 7.53 -12.11 1 24 1 2 24 1 3 25 1 4 26 1 5 27 1 6 28 1 31 7 -2 31 8 -1 29 9 -1 10 17 1 10 24 2 11 15 1 11 25 2 12 16 1 12 27 2 13 18 1 13 26 2 14 19 1 14 28 2 15 16 1 17 20 1 18 21 1 19 29 1 20 26 1 21 25 1 22 23 1 22 27 1 30 23 -1 28 30 1 29 31 1 30 31 1', 'C30H50O', 426.32, 'C', 'np99_265_5', 3843, '', '', '1', 47, NULL, NULL),
(15223, 'Camelliol C acetate', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[CH3:30][C:22]([CH3:29])=[CH:21][CH2:20][CH2:19][C:18]([CH3:28])=[CH:17][CH2:16][CH2:15][C:14]([CH3:27])=[CH:13][CH2:12][CH2:11][CH:9]=[C:8]([CH3:26])[CH2:7][CH2:6][C@@H:5]1[C:10]([CH3:25])=[CH:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]1([CH3:24])[CH3:23]', 'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CC[C@@H]1C(C)=CC[C@H](OC(C)=O)[C@@]1(C)C', '[CH3:26][C:131]([CH3:18])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:124][CH2:28][CH2:28][CH:125]=[C:135]([CH3:16])[CH2:42][CH2:27][C@@H:49]1[C:137]([CH3:23])=[CH:118][CH2:29][C@H:77](O[C:171]([CH3:21])=O)[C@@:37]1([CH3:18])[CH3:26]', '34 34 C:30 30.58 -12.11 C:29 29.36 -10.01 C:3002 3.92 -12.11 C:27 19.65 -10.01 C:28 24.50 -10.01 C:26 13.59 -13.51 C:25 11.18 -9.31 C:24 7.77 -13.11 C:23 9.75 -13.11 O 5.13 -10.01 C:21 28.14 -12.11 C:13 18.44 -12.11 C:9 14.80 -11.41 C:17 23.29 -12.11 C:1 8.76 -9.31 C:12 17.23 -11.41 C:11 16.01 -12.11 C:20 26.93 -11.41 C:16 22.08 -11.41 C:2 7.55 -10.01 C:19 25.72 -12.11 C:15 20.86 -12.11 C:7 12.39 -11.41 C:6 11.18 -12.11 O 6.34 -12.11 C:22 29.36 -11.41 C:3001 5.13 -11.41 C:14 19.65 -11.41 C:18 24.50 -11.41 C:8 13.59 -12.11 C:10 9.97 -10.01 C:3 7.55 -11.41 C:5 9.97 -11.41 C:4 8.76 -12.11 1 26 1 2 26 1 3 27 1 4 28 1 5 29 1 6 30 1 7 31 1 34 8 -1 34 9 -2 10 27 2 11 18 1 11 26 2 12 16 1 12 28 2 13 17 1 13 30 2 14 19 1 14 29 2 15 20 1 15 31 2 16 17 1 18 21 1 19 22 1 20 32 1 21 29 1 22 28 1 23 24 1 23 30 1 33 24 -1 25 27 1 32 25 -1 31 33 1 32 34 1 33 34 1', '34 34 C 30.58 -12.11 C 29.36 -10.01 C 3.92 -12.11 C 19.65 -10.01 C 24.50 -10.01 C 13.59 -13.51 C 11.18 -9.31 C 7.77 -13.11 C 9.75 -13.11 O 5.13 -10.01 C 28.14 -12.11 C 18.44 -12.11 C 14.80 -11.41 C 23.29 -12.11 C 8.76 -9.31 C 17.23 -11.41 C 16.01 -12.11 C 26.93 -11.41 C 22.08 -11.41 C 7.55 -10.01 C 25.72 -12.11 C 20.86 -12.11 C 12.39 -11.41 C 11.18 -12.11 O 6.34 -12.11 C 29.36 -11.41 C 5.13 -11.41 C 19.65 -11.41 C 24.50 -11.41 C 13.59 -12.11 C 9.97 -10.01 C 7.55 -11.41 C 9.97 -11.41 C 8.76 -12.11 1 26 1 2 26 1 3 27 1 4 28 1 5 29 1 6 30 1 7 31 1 34 8 -1 34 9 -2 10 27 2 11 18 1 11 26 2 12 16 1 12 28 2 13 17 1 13 30 2 14 19 1 14 29 2 15 20 1 15 31 2 16 17 1 18 21 1 19 22 1 20 32 1 21 29 1 22 28 1 23 24 1 23 30 1 33 24 -1 25 27 1 32 25 -1 31 33 1 32 34 1 33 34 1', '34 34 C:26 30.58 -12.11 C:18 29.36 -10.01 C:21 3.92 -12.11 C:16 19.65 -10.01 C:16 24.50 -10.01 C:16 13.59 -13.51 C:23 11.18 -9.31 C:18 7.77 -13.11 C:26 9.75 -13.11 O 5.13 -10.01 C:124 28.14 -12.11 C:124 18.44 -12.11 C:125 14.80 -11.41 C:124 23.29 -12.11 C:118 8.76 -9.31 C:28 17.23 -11.41 C:28 16.01 -12.11 C:27 26.93 -11.41 C:27 22.08 -11.41 C:29 7.55 -10.01 C:40 25.72 -12.11 C:40 20.86 -12.11 C:42 12.39 -11.41 C:27 11.18 -12.11 O 6.34 -12.11 C:131 29.36 -11.41 C:171 5.13 -11.41 C:135 19.65 -11.41 C:135 24.50 -11.41 C:135 13.59 -12.11 C:137 9.97 -10.01 C:77 7.55 -11.41 C:49 9.97 -11.41 C:37 8.76 -12.11 1 26 1 2 26 1 3 27 1 4 28 1 5 29 1 6 30 1 7 31 1 34 8 -1 34 9 -2 10 27 2 11 18 1 11 26 2 12 16 1 12 28 2 13 17 1 13 30 2 14 19 1 14 29 2 15 20 1 15 31 2 16 17 1 18 21 1 19 22 1 20 32 1 21 29 1 22 28 1 23 24 1 23 30 1 33 24 -1 25 27 1 32 25 -1 31 33 1 32 34 1 33 34 1', 'C32H52O2', 468.341, 'C', 'np99_265_6', 3843, '', '', '1', 47, NULL, NULL),
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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
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(15254, '', '25-Hydroxy-13(24),15,17-cheilanthatrien-19,25-olide', 'Terpenoids', 'Sesterterpenoids', 'Cheilanthanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:23])[C@H:14]([CH:15]=[CH:16][C:17]1=[CH:18][C:19](=O)O[CH:25]1O)[C:13](=[CH2:24])[CH2:12][CH2:11][C@:9]2([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:21])[CH3:20]', '[H][C@@]34CC[C@@]2(C)[C@H](C=CC1=CC(=O)OC1O)C(=C)CC[C@]2([H])[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:57]34[CH2:19][CH2:42][C@@:40]2([CH3:16])[C@H:62]([CH:144]=[CH:123][C:161]1=[CH:116][C:171](=O)O[CH:97]1O)[C:149](=[CH2:108])[CH2:37][CH2:22][C@:59]2([H])[C@@:38]3([CH3:16])[CH2:40][CH2:19][CH2:42][C@@:33]4([CH3:22])[CH3:33]', '30 33 H 13.01 -13.76 H 14.25 -11.55 C:24 17.95 -8.38 C:21 10.71 -14.43 C:20 12.72 -14.51 C:23 15.52 -9.88 C:22 13.01 -9.81 O 23.97 -11.21 O 19.68 -13.59 C:16 19.16 -10.54 C:15 17.95 -11.21 C:18 21.59 -10.54 C:2 10.51 -11.28 C:12 15.52 -8.38 C:3 10.51 -12.73 C:1 11.76 -10.54 C:11 14.25 -9.09 C:6 14.25 -13.46 C:7 15.52 -12.73 O 22.01 -12.73 C:13 16.75 -9.09 C:19 22.60 -11.49 C:17 20.37 -11.21 C:25 20.63 -12.57 C:14 16.75 -10.54 C:4 11.76 -13.46 C:5 13.01 -12.73 C:9 14.25 -10.54 C:8 15.52 -11.28 C:10 13.01 -11.28 27 1 -2 28 2 -2 3 21 2 26 4 -1 26 5 -2 29 6 -1 30 7 -1 8 22 2 9 24 1 10 11 2 10 23 1 25 11 -1 12 22 1 12 23 2 13 15 1 13 16 1 14 17 1 14 21 1 15 26 1 16 30 1 17 28 1 18 19 1 18 27 1 19 29 1 20 22 1 20 24 1 21 25 1 23 24 1 25 29 1 26 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 13.01 -13.76 H 14.25 -11.55 C 17.95 -8.38 C 10.71 -14.43 C 12.72 -14.51 C 15.52 -9.88 C 13.01 -9.81 O 23.97 -11.21 O 19.68 -13.59 C 19.16 -10.54 C 17.95 -11.21 C 21.59 -10.54 C 10.51 -11.28 C 15.52 -8.38 C 10.51 -12.73 C 11.76 -10.54 C 14.25 -9.09 C 14.25 -13.46 C 15.52 -12.73 O 22.01 -12.73 C 16.75 -9.09 C 22.60 -11.49 C 20.37 -11.21 C 20.63 -12.57 C 16.75 -10.54 C 11.76 -13.46 C 13.01 -12.73 C 14.25 -10.54 C 15.52 -11.28 C 13.01 -11.28 27 1 -2 28 2 -2 3 21 2 26 4 -1 26 5 -2 29 6 -1 30 7 -1 8 22 2 9 24 1 10 11 2 10 23 1 25 11 -1 12 22 1 12 23 2 13 15 1 13 16 1 14 17 1 14 21 1 15 26 1 16 30 1 17 28 1 18 19 1 18 27 1 19 29 1 20 22 1 20 24 1 21 25 1 23 24 1 25 29 1 26 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 13.01 -13.76 H 14.25 -11.55 C:108 17.95 -8.38 C:22 10.71 -14.43 C:33 12.72 -14.51 C:16 15.52 -9.88 C:16 13.01 -9.81 O 23.97 -11.21 O 19.68 -13.59 C:123 19.16 -10.54 C:144 17.95 -11.21 C:116 21.59 -10.54 C:19 10.51 -11.28 C:37 15.52 -8.38 C:42 10.51 -12.73 C:40 11.76 -10.54 C:22 14.25 -9.09 C:19 14.25 -13.46 C:42 15.52 -12.73 O 22.01 -12.73 C:149 16.75 -9.09 C:171 22.60 -11.49 C:161 20.37 -11.21 C:97 20.63 -12.57 C:62 16.75 -10.54 C:33 11.76 -13.46 C:57 13.01 -12.73 C:59 14.25 -10.54 C:40 15.52 -11.28 C:38 13.01 -11.28 27 1 -2 28 2 -2 3 21 2 26 4 -1 26 5 -2 29 6 -1 30 7 -1 8 22 2 9 24 1 10 11 2 10 23 1 25 11 -1 12 22 1 12 23 2 13 15 1 13 16 1 14 17 1 14 21 1 15 26 1 16 30 1 17 28 1 18 19 1 18 27 1 19 29 1 20 22 1 20 24 1 21 25 1 23 24 1 25 29 1 26 27 1 27 30 1 28 29 1 28 30 1', 'C25H36O3', 384.282, 'C+C', 'np01_300_1e', 3848, 'epimers at C-25', '', '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
(15255, '', '25-Hydroxy-13(24),17-cheilanthadien-16,19-olide', 'Terpenoids', 'Sesterterpenoids', 'Cheilanthanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:23])[C@H:14]([CH2:15][CH:16]1O[C:19](=O)[CH:18]=[C:17]1[CH2:25]O)[C:13](=[CH2:24])[CH2:12][CH2:11][C@:9]2([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:21])[CH3:20]', '[H][C@@]34CC[C@@]2(C)[C@H](CC1OC(=O)C=C1CO)C(=C)CC[C@]2([H])[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:57]34[CH2:19][CH2:41][C@@:40]2([CH3:16])[C@H:52]([CH2:28][CH:82]1O[C:172](=O)[CH:116]=[C:172]1[CH2:59]O)[C:148](=[CH2:107])[CH2:38][CH2:23][C@:60]2([H])[C@@:38]3([CH3:15])[CH2:40][CH2:19][CH2:42][C@@:33]4([CH3:22])[CH3:34]', '30 33 H 14.00 -14.09 H 15.24 -11.88 C:24 18.94 -8.71 C:21 11.70 -14.76 C:20 13.72 -14.84 C:23 16.51 -10.21 C:22 14.00 -10.14 O 22.27 -7.96 O 23.00 -13.27 C:18 22.36 -10.43 C:25 21.68 -12.81 C:2 11.50 -11.61 C:12 16.51 -8.71 C:3 11.50 -13.06 C:1 12.75 -10.87 C:11 15.24 -9.42 C:6 15.24 -13.79 C:7 16.51 -13.06 C:15 18.94 -11.54 O 20.32 -9.49 C:13 17.74 -9.42 C:19 21.68 -9.22 C:17 21.41 -11.45 C:16 20.15 -10.87 C:14 17.74 -10.87 C:4 12.75 -13.79 C:5 14.00 -13.06 C:9 15.24 -10.87 C:8 16.51 -11.61 C:10 14.00 -11.61 27 1 -2 28 2 -2 3 21 2 26 4 -1 26 5 -2 29 6 -1 30 7 -1 8 22 2 9 11 1 10 22 1 10 23 2 11 23 1 12 14 1 12 15 1 13 16 1 13 21 1 14 26 1 15 30 1 16 28 1 17 18 1 17 27 1 18 29 1 19 24 1 25 19 -1 20 22 1 20 24 1 21 25 1 23 24 1 25 29 1 26 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 14.00 -14.09 H 15.24 -11.88 C 18.94 -8.71 C 11.70 -14.76 C 13.72 -14.84 C 16.51 -10.21 C 14.00 -10.14 O 22.27 -7.96 O 23.00 -13.27 C 22.36 -10.43 C 21.68 -12.81 C 11.50 -11.61 C 16.51 -8.71 C 11.50 -13.06 C 12.75 -10.87 C 15.24 -9.42 C 15.24 -13.79 C 16.51 -13.06 C 18.94 -11.54 O 20.32 -9.49 C 17.74 -9.42 C 21.68 -9.22 C 21.41 -11.45 C 20.15 -10.87 C 17.74 -10.87 C 12.75 -13.79 C 14.00 -13.06 C 15.24 -10.87 C 16.51 -11.61 C 14.00 -11.61 27 1 -2 28 2 -2 3 21 2 26 4 -1 26 5 -2 29 6 -1 30 7 -1 8 22 2 9 11 1 10 22 1 10 23 2 11 23 1 12 14 1 12 15 1 13 16 1 13 21 1 14 26 1 15 30 1 16 28 1 17 18 1 17 27 1 18 29 1 19 24 1 25 19 -1 20 22 1 20 24 1 21 25 1 23 24 1 25 29 1 26 27 1 27 30 1 28 29 1 28 30 1', '30 33 H 14.00 -14.09 H 15.24 -11.88 C:107 18.94 -8.71 C:22 11.70 -14.76 C:34 13.72 -14.84 C:16 16.51 -10.21 C:15 14.00 -10.14 O 22.27 -7.96 O 23.00 -13.27 C:116 22.36 -10.43 C:59 21.68 -12.81 C:19 11.50 -11.61 C:38 16.51 -8.71 C:42 11.50 -13.06 C:40 12.75 -10.87 C:23 15.24 -9.42 C:19 15.24 -13.79 C:41 16.51 -13.06 C:28 18.94 -11.54 O 20.32 -9.49 C:148 17.74 -9.42 C:172 21.68 -9.22 C:172 21.41 -11.45 C:82 20.15 -10.87 C:52 17.74 -10.87 C:33 12.75 -13.79 C:57 14.00 -13.06 C:60 15.24 -10.87 C:40 16.51 -11.61 C:38 14.00 -11.61 27 1 -2 28 2 -2 3 21 2 26 4 -1 26 5 -2 29 6 -1 30 7 -1 8 22 2 9 11 1 10 22 1 10 23 2 11 23 1 12 14 1 12 15 1 13 16 1 13 21 1 14 26 1 15 30 1 16 28 1 17 18 1 17 27 1 18 29 1 19 24 1 25 19 -1 20 22 1 20 24 1 21 25 1 23 24 1 25 29 1 26 27 1 27 30 1 28 29 1 28 30 1', 'C25H38O3', 386.282, 'C', 'np01_300_3', 3848, '', 'he intercambiado C20 con c21', '1', 47, NULL, NULL),
(15256, '', '16,25-Dihydroxy-13(24),17-cheilanthadien-19,25-olide', 'Terpenoids', 'Sesterterpenoids', 'Cheilanthanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:23])[C@H:14]([CH2:15][CH:16](O)[C:17]1=[CH:18][C:19](=O)O[CH:25]1O)[C:13](=[CH2:24])[CH2:12][CH2:11][C@:9]2([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:20])[CH3:21]', '[H][C@@]34CC[C@@]2(C)[C@H](CC(O)C1=CC(=O)OC1O)C(=C)CC[C@]2([H])[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:56]34[CH2:19][CH2:41][C@@:40]2([CH3:16])[C@H:54]([CH2:30][CH:68](O)[C:170]1=[CH:119][C:171](=O)O[CH:98]1O)[C:149](=[CH2:107])[CH2:38][CH2:23][C@:60]2([H])[C@@:38]3([CH3:16])[CH2:40][CH2:19][CH2:42][C@:33]4([CH3:33])[CH3:22]', '31 34 H 13.01 -13.71 H 14.25 -11.50 C:24 17.95 -8.33 C:20 12.72 -14.46 C:21 10.71 -14.37 C:23 15.52 -9.83 C:22 13.01 -9.76 O 23.97 -11.16 O 19.16 -9.09 O 19.69 -13.54 C:18 21.59 -10.48 C:2 10.51 -11.23 C:12 15.52 -8.33 C:3 10.51 -12.68 C:1 11.76 -10.48 C:11 14.25 -9.03 C:6 14.25 -13.41 C:7 15.52 -12.68 C:15 17.95 -11.16 O 22.02 -12.68 C:13 16.75 -9.03 C:19 22.60 -11.44 C:17 20.37 -11.16 C:16 19.16 -10.48 C:25 20.64 -12.52 C:14 16.75 -10.48 C:4 11.76 -13.41 C:5 13.01 -12.68 C:9 14.25 -10.48 C:8 15.52 -11.23 C:10 13.01 -11.23 28 1 -2 29 2 -2 3 21 2 27 4 -2 27 5 -1 30 6 -1 31 7 -1 8 22 2 9 24 1 10 25 1 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 21 1 14 27 1 15 31 1 16 29 1 17 18 1 17 28 1 18 30 1 19 24 1 26 19 -1 20 22 1 20 25 1 21 26 1 23 24 1 23 25 1 26 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 13.01 -13.71 H 14.25 -11.50 C 17.95 -8.33 C 12.72 -14.46 C 10.71 -14.37 C 15.52 -9.83 C 13.01 -9.76 O 23.97 -11.16 O 19.16 -9.09 O 19.69 -13.54 C 21.59 -10.48 C 10.51 -11.23 C 15.52 -8.33 C 10.51 -12.68 C 11.76 -10.48 C 14.25 -9.03 C 14.25 -13.41 C 15.52 -12.68 C 17.95 -11.16 O 22.02 -12.68 C 16.75 -9.03 C 22.60 -11.44 C 20.37 -11.16 C 19.16 -10.48 C 20.64 -12.52 C 16.75 -10.48 C 11.76 -13.41 C 13.01 -12.68 C 14.25 -10.48 C 15.52 -11.23 C 13.01 -11.23 28 1 -2 29 2 -2 3 21 2 27 4 -2 27 5 -1 30 6 -1 31 7 -1 8 22 2 9 24 1 10 25 1 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 21 1 14 27 1 15 31 1 16 29 1 17 18 1 17 28 1 18 30 1 19 24 1 26 19 -1 20 22 1 20 25 1 21 26 1 23 24 1 23 25 1 26 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 13.01 -13.71 H 14.25 -11.50 C:107 17.95 -8.33 C:33 12.72 -14.46 C:22 10.71 -14.37 C:16 15.52 -9.83 C:16 13.01 -9.76 O 23.97 -11.16 O 19.16 -9.09 O 19.69 -13.54 C:119 21.59 -10.48 C:19 10.51 -11.23 C:38 15.52 -8.33 C:42 10.51 -12.68 C:40 11.76 -10.48 C:23 14.25 -9.03 C:19 14.25 -13.41 C:41 15.52 -12.68 C:30 17.95 -11.16 O 22.02 -12.68 C:149 16.75 -9.03 C:171 22.60 -11.44 C:170 20.37 -11.16 C:68 19.16 -10.48 C:98 20.64 -12.52 C:54 16.75 -10.48 C:33 11.76 -13.41 C:56 13.01 -12.68 C:60 14.25 -10.48 C:40 15.52 -11.23 C:38 13.01 -11.23 28 1 -2 29 2 -2 3 21 2 27 4 -2 27 5 -1 30 6 -1 31 7 -1 8 22 2 9 24 1 10 25 1 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 21 1 14 27 1 15 31 1 16 29 1 17 18 1 17 28 1 18 30 1 19 24 1 26 19 -1 20 22 1 20 25 1 21 26 1 23 24 1 23 25 1 26 30 1 27 28 1 28 31 1 29 30 1 29 31 1', 'C25H38O4', 402.281, 'C', 'np01_300_4', 3848, 'epimer', 'he intercambiado C20 con c21', '1', 47, NULL, NULL),
(15257, '', '16,25-Dihydroxy-13(24),17-cheilanthadien-19,25-olide', 'Terpenoids', 'Sesterterpenoids', 'Cheilanthanes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]2([CH3:23])[C@H:14]([CH2:15][CH:16](O)[C:17]1=[CH:18][C:19](=O)O[CH:25]1O)[C:13](=[CH2:24])[CH2:12][CH2:11][C@:9]2([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:20])[CH3:21]', '[H][C@@]34CC[C@@]2(C)[C@H](CC(O)C1=CC(=O)OC1O)C(=C)CC[C@]2([H])[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:56]34[CH2:19][CH2:41][C@@:40]2([CH3:16])[C@H:54]([CH2:30][CH:68](O)[C:168]1=[CH:118][C:170](=O)O[CH:98]1O)[C:149](=[CH2:107])[CH2:38][CH2:23][C@:60]2([H])[C@@:38]3([CH3:16])[CH2:40][CH2:19][CH2:42][C@:33]4([CH3:33])[CH3:22]', '31 34 H 13.01 -13.71 H 14.25 -11.50 C:24 17.95 -8.33 C:20 12.72 -14.46 C:21 10.71 -14.37 C:23 15.52 -9.83 C:22 13.01 -9.76 O 23.97 -11.16 O 19.16 -9.09 O 19.69 -13.54 C:18 21.59 -10.48 C:2 10.51 -11.23 C:12 15.52 -8.33 C:3 10.51 -12.68 C:1 11.76 -10.48 C:11 14.25 -9.03 C:6 14.25 -13.41 C:7 15.52 -12.68 C:15 17.95 -11.16 O 22.02 -12.68 C:13 16.75 -9.03 C:19 22.60 -11.44 C:17 20.37 -11.16 C:16 19.16 -10.48 C:25 20.64 -12.52 C:14 16.75 -10.48 C:4 11.76 -13.41 C:5 13.01 -12.68 C:9 14.25 -10.48 C:8 15.52 -11.23 C:10 13.01 -11.23 28 1 -2 29 2 -2 3 21 2 27 4 -2 27 5 -1 30 6 -1 31 7 -1 8 22 2 9 24 1 10 25 1 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 21 1 14 27 1 15 31 1 16 29 1 17 18 1 17 28 1 18 30 1 19 24 1 26 19 -1 20 22 1 20 25 1 21 26 1 23 24 1 23 25 1 26 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 13.01 -13.71 H 14.25 -11.50 C 17.95 -8.33 C 12.72 -14.46 C 10.71 -14.37 C 15.52 -9.83 C 13.01 -9.76 O 23.97 -11.16 O 19.16 -9.09 O 19.69 -13.54 C 21.59 -10.48 C 10.51 -11.23 C 15.52 -8.33 C 10.51 -12.68 C 11.76 -10.48 C 14.25 -9.03 C 14.25 -13.41 C 15.52 -12.68 C 17.95 -11.16 O 22.02 -12.68 C 16.75 -9.03 C 22.60 -11.44 C 20.37 -11.16 C 19.16 -10.48 C 20.64 -12.52 C 16.75 -10.48 C 11.76 -13.41 C 13.01 -12.68 C 14.25 -10.48 C 15.52 -11.23 C 13.01 -11.23 28 1 -2 29 2 -2 3 21 2 27 4 -2 27 5 -1 30 6 -1 31 7 -1 8 22 2 9 24 1 10 25 1 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 21 1 14 27 1 15 31 1 16 29 1 17 18 1 17 28 1 18 30 1 19 24 1 26 19 -1 20 22 1 20 25 1 21 26 1 23 24 1 23 25 1 26 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 13.01 -13.71 H 14.25 -11.50 C:107 17.95 -8.33 C:33 12.72 -14.46 C:22 10.71 -14.37 C:16 15.52 -9.83 C:16 13.01 -9.76 O 23.97 -11.16 O 19.16 -9.09 O 19.69 -13.54 C:118 21.59 -10.48 C:19 10.51 -11.23 C:38 15.52 -8.33 C:42 10.51 -12.68 C:40 11.76 -10.48 C:23 14.25 -9.03 C:19 14.25 -13.41 C:41 15.52 -12.68 C:30 17.95 -11.16 O 22.02 -12.68 C:149 16.75 -9.03 C:170 22.60 -11.44 C:168 20.37 -11.16 C:68 19.16 -10.48 C:98 20.64 -12.52 C:54 16.75 -10.48 C:33 11.76 -13.41 C:56 13.01 -12.68 C:60 14.25 -10.48 C:40 15.52 -11.23 C:38 13.01 -11.23 28 1 -2 29 2 -2 3 21 2 27 4 -2 27 5 -1 30 6 -1 31 7 -1 8 22 2 9 24 1 10 25 1 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 21 1 14 27 1 15 31 1 16 29 1 17 18 1 17 28 1 18 30 1 19 24 1 26 19 -1 20 22 1 20 25 1 21 26 1 23 24 1 23 25 1 26 30 1 27 28 1 28 31 1 29 30 1 29 31 1', 'C25H38O4', 402.281, 'CC', 'np01_300_4', 3848, 'epimer', 'he intercambiado C20 con c21', '1', 47, NULL, NULL),
(15258, '20-Formylhyrtiosal', '', 'Terpenoids', 'Sesterterpenoids', 'Tricarbocyclics', '[H][C@:5]34[CH2:6][CH2:7][C@:8]2([CH3:23])[C@@H:14]([CH2:15][C@@H:16](O)[c:17]1[cH:18][cH:19]o[cH:25]1)[C@:13]([CH3:24])([CH:12]=O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:21])[CH:20]=O', '[H][C@]34CC[C@]2(C)[C@@H](C[C@@H](O)c1ccoc1)[C@](C)(C=O)C[C@@]2([H])[C@]3(C)CCC[C@]4(C)C=O', '[H][C@:50]34[CH2:21][CH2:40][C@:45]2([CH3:17])[C@@H:48]([CH2:33][C@@H:64](O)[c:129]1[cH:108][cH:143]o[cH:139]1)[C@:53]([CH3:19])([CH:206]=O)[CH2:34][C@@:60]2([H])[C@:36]3([CH3:16])[CH2:39][CH2:17][CH2:32][C@:49]4([CH3:14])[CH:205]=O', '31 34 H 13.74 -13.99 H 14.99 -11.72 C:24 16.38 -7.75 C:21 11.55 -14.82 C:23 16.27 -10.06 C:22 13.74 -9.95 O 17.67 -6.74 O 12.70 -16.07 O 19.34 -8.50 C:12 17.67 -8.14 C:20 13.32 -14.82 C:19 23.20 -9.61 C:18 21.96 -8.95 C:25 21.53 -11.17 C:2 11.24 -11.41 C:3 11.24 -12.84 C:1 12.48 -10.69 C:6 14.99 -13.56 C:7 16.27 -12.84 C:15 18.67 -10.69 C:11 15.29 -9.30 O 22.93 -11.00 C:17 20.96 -9.88 C:16 19.61 -9.61 C:14 17.28 -10.42 C:13 16.70 -9.14 C:4 12.48 -13.56 C:5 13.74 -12.84 C:9 14.99 -10.69 C:8 16.27 -11.41 C:10 13.74 -11.41 28 1 -1 29 2 -1 26 3 -2 27 4 -2 30 5 -2 31 6 -2 7 10 2 8 11 2 24 9 -1 26 10 -1 27 11 -1 12 13 2 12 22 1 13 23 1 14 22 1 14 23 2 15 16 1 15 17 1 16 27 1 17 31 1 18 19 1 18 28 1 19 30 1 20 24 1 25 20 -2 21 26 1 21 29 1 23 24 1 25 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 13.74 -13.99 H 14.99 -11.72 C 16.38 -7.75 C 11.55 -14.82 C 16.27 -10.06 C 13.74 -9.95 O 17.67 -6.74 O 12.70 -16.07 O 19.34 -8.50 C 17.67 -8.14 C 13.32 -14.82 C 23.20 -9.61 C 21.96 -8.95 C 21.53 -11.17 C 11.24 -11.41 C 11.24 -12.84 C 12.48 -10.69 C 14.99 -13.56 C 16.27 -12.84 C 18.67 -10.69 C 15.29 -9.30 O 22.93 -11.00 C 20.96 -9.88 C 19.61 -9.61 C 17.28 -10.42 C 16.70 -9.14 C 12.48 -13.56 C 13.74 -12.84 C 14.99 -10.69 C 16.27 -11.41 C 13.74 -11.41 28 1 -1 29 2 -1 26 3 -2 27 4 -2 30 5 -2 31 6 -2 7 10 2 8 11 2 24 9 -1 26 10 -1 27 11 -1 12 13 2 12 22 1 13 23 1 14 22 1 14 23 2 15 16 1 15 17 1 16 27 1 17 31 1 18 19 1 18 28 1 19 30 1 20 24 1 25 20 -2 21 26 1 21 29 1 23 24 1 25 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 13.74 -13.99 H 14.99 -11.72 C:19 16.38 -7.75 C:14 11.55 -14.82 C:17 16.27 -10.06 C:16 13.74 -9.95 O 17.67 -6.74 O 12.70 -16.07 O 19.34 -8.50 C:206 17.67 -8.14 C:205 13.32 -14.82 C:143 23.20 -9.61 C:108 21.96 -8.95 C:139 21.53 -11.17 C:17 11.24 -11.41 C:32 11.24 -12.84 C:39 12.48 -10.69 C:21 14.99 -13.56 C:40 16.27 -12.84 C:33 18.67 -10.69 C:34 15.29 -9.30 O 22.93 -11.00 C:129 20.96 -9.88 C:64 19.61 -9.61 C:48 17.28 -10.42 C:53 16.70 -9.14 C:49 12.48 -13.56 C:50 13.74 -12.84 C:60 14.99 -10.69 C:45 16.27 -11.41 C:36 13.74 -11.41 28 1 -1 29 2 -1 26 3 -2 27 4 -2 30 5 -2 31 6 -2 7 10 2 8 11 2 24 9 -1 26 10 -1 27 11 -1 12 13 2 12 22 1 13 23 1 14 22 1 14 23 2 15 16 1 15 17 1 16 27 1 17 31 1 18 19 1 18 28 1 19 30 1 20 24 1 25 20 -2 21 26 1 21 29 1 23 24 1 25 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', 'C25H36O4', 400.281, 'M', 'np04_921_1', 3849, '', 'en el modelo Tricarbocyclics-6-6-5-Sesterterpenoids el c13 no est· numerado', '1', 47, NULL, NULL),
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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
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(15271, 'Petrosaspongiolide M', '', 'Terpenoids', 'Sesterterpenoids', 'Cheilanthanes', '[H][C@:13]35[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:22])[CH2:1][CH2:2][CH2:3][C@:4]([CH3:20])([CH3:21])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:23])[C@:14]3([H])[CH2:15][C@H:16]([C:17]4=[CH:18][C:19](=O)O[CH:25]4O)O[C@H:24]5O[C:24001]([CH3:24002])=O', '[H][C@]35CC[C@]2([H])[C@@]1(C)CCC[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3([H])C[C@H](C4=CC(=O)OC4O)O[C@H]5OC(C)=O', '[H][C@:46]35[CH2:28][CH2:20][C@:60]2([H])[C@@:38]1([CH3:15])[CH2:40][CH2:19][CH2:42][C@:33]([CH3:33])([CH3:21])[C@:57]1([H])[CH2:19][CH2:40][C@@:37]2([CH3:16])[C@:37]3([H])[CH2:28][C@H:67]([C:167]4=[CH:119][C:171](=O)O[CH:103]4O)O[C@H:94]5O[C:171]([CH3:21])=O', '37 41 H 16.80 -9.77 H 13.01 -15.53 H 14.26 -13.28 H 16.80 -13.28 C:24002 19.32 -6.59 C:20 12.71 -16.28 C:21 10.68 -16.20 C:22 13.01 -11.52 C:23 15.56 -11.59 O 20.45 -8.67 O 24.04 -13.73 O 19.32 -15.23 C:18 21.81 -12.59 C:2 10.48 -13.01 C:3 10.48 -14.48 C:1 11.74 -12.26 C:12 15.56 -10.07 C:11 14.26 -10.78 C:6 14.26 -15.23 C:7 15.56 -14.48 C:15 18.02 -12.93 O 21.81 -14.87 O 18.02 -8.67 O 19.25 -10.78 C:24001 19.32 -8.00 C:19 22.64 -13.73 C:17 20.45 -13.01 C:25 20.45 -14.43 C:16 19.25 -12.26 C:24 18.02 -10.07 C:4 11.74 -15.23 C:13 16.80 -10.78 C:5 13.01 -14.48 C:9 14.26 -12.26 C:14 16.80 -12.26 C:10 13.01 -13.01 C:8 15.56 -13.01 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 25 1 31 6 -2 31 7 -1 36 8 -1 37 9 -1 10 25 2 11 26 2 12 28 1 13 26 1 13 27 2 14 15 1 14 16 1 15 31 1 16 36 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 37 1 21 29 1 21 35 1 22 26 1 22 28 1 23 25 1 30 23 -2 24 29 1 24 30 1 27 28 1 29 27 -1 30 32 1 31 33 1 32 35 1 33 36 1 34 36 1 34 37 1 35 37 1', '37 41 H 16.80 -9.77 H 13.01 -15.53 H 14.26 -13.28 H 16.80 -13.28 C 19.32 -6.59 C 12.71 -16.28 C 10.68 -16.20 C 13.01 -11.52 C 15.56 -11.59 O 20.45 -8.67 O 24.04 -13.73 O 19.32 -15.23 C 21.81 -12.59 C 10.48 -13.01 C 10.48 -14.48 C 11.74 -12.26 C 15.56 -10.07 C 14.26 -10.78 C 14.26 -15.23 C 15.56 -14.48 C 18.02 -12.93 O 21.81 -14.87 O 18.02 -8.67 O 19.25 -10.78 C 19.32 -8.00 C 22.64 -13.73 C 20.45 -13.01 C 20.45 -14.43 C 19.25 -12.26 C 18.02 -10.07 C 11.74 -15.23 C 16.80 -10.78 C 13.01 -14.48 C 14.26 -12.26 C 16.80 -12.26 C 13.01 -13.01 C 15.56 -13.01 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 25 1 31 6 -2 31 7 -1 36 8 -1 37 9 -1 10 25 2 11 26 2 12 28 1 13 26 1 13 27 2 14 15 1 14 16 1 15 31 1 16 36 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 37 1 21 29 1 21 35 1 22 26 1 22 28 1 23 25 1 30 23 -2 24 29 1 24 30 1 27 28 1 29 27 -1 30 32 1 31 33 1 32 35 1 33 36 1 34 36 1 34 37 1 35 37 1', '37 41 H 16.80 -9.77 H 13.01 -15.53 H 14.26 -13.28 H 16.80 -13.28 C:21 19.32 -6.59 C:33 12.71 -16.28 C:21 10.68 -16.20 C:15 13.01 -11.52 C:16 15.56 -11.59 O 20.45 -8.67 O 24.04 -13.73 O 19.32 -15.23 C:119 21.81 -12.59 C:19 10.48 -13.01 C:42 10.48 -14.48 C:40 11.74 -12.26 C:28 15.56 -10.07 C:20 14.26 -10.78 C:19 14.26 -15.23 C:40 15.56 -14.48 C:28 18.02 -12.93 O 21.81 -14.87 O 18.02 -8.67 O 19.25 -10.78 C:171 19.32 -8.00 C:171 22.64 -13.73 C:167 20.45 -13.01 C:103 20.45 -14.43 C:67 19.25 -12.26 C:94 18.02 -10.07 C:33 11.74 -15.23 C:46 16.80 -10.78 C:57 13.01 -14.48 C:60 14.26 -12.26 C:37 16.80 -12.26 C:38 13.01 -13.01 C:37 15.56 -13.01 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 25 1 31 6 -2 31 7 -1 36 8 -1 37 9 -1 10 25 2 11 26 2 12 28 1 13 26 1 13 27 2 14 15 1 14 16 1 15 31 1 16 36 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 37 1 21 29 1 21 35 1 22 26 1 22 28 1 23 25 1 30 23 -2 24 29 1 24 30 1 27 28 1 29 27 -1 30 32 1 31 33 1 32 35 1 33 36 1 34 36 1 34 37 1 35 37 1', 'C27H40O6', 460.317, 'C', 'np98_571_1', 3852, '', '', '1', 47, NULL, NULL),
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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
(15284, '', '12-Epideoxoscalarin3-one', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:14]24[CH2:15][CH:16]=[C:17]1[CH2:24]O[C@@H:25](O)[C@:18]1([H])[C@@:13]2([CH3:23])[C@H:12](O[C:12001]([CH3:12002])=O)[CH2:11][C@:9]5([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][C:3](=O)[C@@:4]([CH3:20])([CH3:19])[C@:5]3([H])[CH2:6][CH2:7][C@@:8]45[CH3:21]', '[H][C@@]24CC=C1CO[C@@H](O)[C@]1([H])[C@@]2(C)[C@H](OC(C)=O)C[C@]5([H])[C@@]3(C)CCC(=O)[C@@](C)(C)[C@]3([H])CC[C@@]45C', '[H][C@@:54]24[CH2:22][CH:116]=[C:136]1[CH2:68]O[C@@H:99](O)[C@:61]1([H])[C@@:38]2([CH3:10])[C@H:82](O[C:171]([CH3:21])=O)[CH2:24][C@:57]5([H])[C@@:37]3([CH3:16])[CH2:39][CH2:34][C:218](=O)[C@@:47]([CH3:21])([CH3:27])[C@:54]3([H])[CH2:19][CH2:40][C@@:37]45[CH3:17]', '36 40 H 19.27 -13.24 H 15.46 -15.50 H 16.72 -13.24 H 20.48 -11.06 C:12002 16.84 -6.52 C:20 13.11 -16.17 C:19 15.18 -16.27 C:22 15.46 -11.49 C:21 18.01 -11.57 C:23 19.27 -9.35 O 15.61 -8.60 O 11.71 -15.17 O 19.84 -7.63 C:16 21.70 -12.23 C:2 12.90 -12.97 C:15 20.48 -12.90 C:24 22.74 -9.81 C:1 14.18 -12.23 C:6 16.72 -15.17 C:7 18.01 -14.46 C:11 16.72 -10.76 O 22.18 -8.53 O 18.01 -8.60 C:12001 16.84 -7.92 C:3 12.90 -14.46 C:17 21.70 -10.76 C:25 20.78 -8.60 C:12 18.01 -10.04 C:4 14.18 -15.17 C:14 19.27 -12.23 C:5 15.46 -14.46 C:9 16.72 -12.23 C:18 20.48 -10.04 C:10 15.46 -12.97 C:8 18.01 -12.97 C:13 19.27 -10.76 30 1 -2 31 2 -2 32 3 -2 33 4 -2 5 24 1 29 6 -1 29 7 -2 34 8 -1 35 9 -1 36 10 -1 11 24 2 12 25 2 27 13 -2 14 16 1 14 26 2 15 18 1 15 25 1 16 30 1 17 22 1 17 26 1 18 34 1 19 20 1 19 31 1 20 35 1 21 28 1 21 32 1 22 27 1 23 24 1 28 23 -1 25 29 1 26 33 1 27 33 1 28 36 1 29 31 1 30 35 1 30 36 1 31 34 1 32 34 1 32 35 1 33 36 1', '36 40 H 19.27 -13.24 H 15.46 -15.50 H 16.72 -13.24 H 20.48 -11.06 C 16.84 -6.52 C 13.11 -16.17 C 15.18 -16.27 C 15.46 -11.49 C 18.01 -11.57 C 19.27 -9.35 O 15.61 -8.60 O 11.71 -15.17 O 19.84 -7.63 C 21.70 -12.23 C 12.90 -12.97 C 20.48 -12.90 C 22.74 -9.81 C 14.18 -12.23 C 16.72 -15.17 C 18.01 -14.46 C 16.72 -10.76 O 22.18 -8.53 O 18.01 -8.60 C 16.84 -7.92 C 12.90 -14.46 C 21.70 -10.76 C 20.78 -8.60 C 18.01 -10.04 C 14.18 -15.17 C 19.27 -12.23 C 15.46 -14.46 C 16.72 -12.23 C 20.48 -10.04 C 15.46 -12.97 C 18.01 -12.97 C 19.27 -10.76 30 1 -2 31 2 -2 32 3 -2 33 4 -2 5 24 1 29 6 -1 29 7 -2 34 8 -1 35 9 -1 36 10 -1 11 24 2 12 25 2 27 13 -2 14 16 1 14 26 2 15 18 1 15 25 1 16 30 1 17 22 1 17 26 1 18 34 1 19 20 1 19 31 1 20 35 1 21 28 1 21 32 1 22 27 1 23 24 1 28 23 -1 25 29 1 26 33 1 27 33 1 28 36 1 29 31 1 30 35 1 30 36 1 31 34 1 32 34 1 32 35 1 33 36 1', '36 40 H 19.27 -13.24 H 15.46 -15.50 H 16.72 -13.24 H 20.48 -11.06 C:21 16.84 -6.52 C:21 13.11 -16.17 C:27 15.18 -16.27 C:16 15.46 -11.49 C:17 18.01 -11.57 C:10 19.27 -9.35 O 15.61 -8.60 O 11.71 -15.17 O 19.84 -7.63 C:116 21.70 -12.23 C:34 12.90 -12.97 C:22 20.48 -12.90 C:68 22.74 -9.81 C:39 14.18 -12.23 C:19 16.72 -15.17 C:40 18.01 -14.46 C:24 16.72 -10.76 O 22.18 -8.53 O 18.01 -8.60 C:171 16.84 -7.92 C:218 12.90 -14.46 C:136 21.70 -10.76 C:99 20.78 -8.60 C:82 18.01 -10.04 C:47 14.18 -15.17 C:54 19.27 -12.23 C:54 15.46 -14.46 C:57 16.72 -12.23 C:61 20.48 -10.04 C:37 15.46 -12.97 C:37 18.01 -12.97 C:38 19.27 -10.76 30 1 -2 31 2 -2 32 3 -2 33 4 -2 5 24 1 29 6 -1 29 7 -2 34 8 -1 35 9 -1 36 10 -1 11 24 2 12 25 2 27 13 -2 14 16 1 14 26 2 15 18 1 15 25 1 16 30 1 17 22 1 17 26 1 18 34 1 19 20 1 19 31 1 20 35 1 21 28 1 21 32 1 22 27 1 23 24 1 28 23 -1 25 29 1 26 33 1 27 33 1 28 36 1 29 31 1 30 35 1 30 36 1 31 34 1 32 34 1 32 35 1 33 36 1', 'C27H40O5', 444.318, 'C', 'tt99_9133_4', 3855, '', '', '1', 47, NULL, NULL),
(15285, '', 'Deoxoscalarin-J-one', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:14]24[CH2:15][CH:16]=[C:17]1[CH2:24]O[C@@H:25](O)[C@:18]1([H])[C@@:13]2([CH3:23])[C@@H:12](O[C:12001]([CH3:12002])=O)[CH2:11][C@:9]5([H])[C@@:10]3([CH3:22])[CH2:1][CH2:2][C:3](=O)[C@:4]([CH3:19])([CH3:20])[C@:5]3([H])[CH2:6][CH2:7][C@@:8]45[CH3:21]', '[H][C@@]24CC=C1CO[C@@H](O)[C@]1([H])[C@@]2(C)[C@@H](OC(C)=O)C[C@]5([H])[C@@]3(C)CCC(=O)[C@](C)(C)[C@]3([H])CC[C@@]45C', '[H][C@@:50]24[CH2:23][CH:116]=[C:137]1[CH2:69]O[C@@H:99](O)[C@:54]1([H])[C@@:37]2([CH3:15])[C@@H:75](O[C:21]([CH3:171])=O)[CH2:23][C@:54]5([H])[C@@:38]3([CH3:16])[CH2:39][CH2:33][C:218](=O)[C@:47]([CH3:27])([CH3:21])[C@:54]3([H])[CH2:19][CH2:41][C@@:37]45[CH3:16]', '36 40 H 19.30 -13.26 H 15.48 -15.52 H 16.74 -13.26 H 20.51 -11.08 C:12002 16.86 -6.53 C:19 15.20 -16.29 C:20 13.13 -16.19 C:22 15.48 -11.51 C:21 18.03 -11.59 C:23 19.30 -9.36 O 15.63 -8.61 O 11.73 -15.19 O 19.87 -7.64 C:16 21.73 -12.25 C:2 12.92 -12.99 C:15 20.51 -12.92 C:24 22.77 -9.82 C:1 14.20 -12.25 C:6 16.74 -15.19 C:7 18.03 -14.48 C:11 16.74 -10.78 O 22.21 -8.54 O 18.03 -8.61 C:12001 16.86 -7.93 C:3 12.92 -14.48 C:17 21.73 -10.78 C:25 20.81 -8.61 C:12 18.03 -10.05 C:4 14.20 -15.19 C:14 19.30 -12.25 C:5 15.48 -14.48 C:9 16.74 -12.25 C:18 20.51 -10.05 C:10 15.48 -12.99 C:8 18.03 -12.99 C:13 19.30 -10.78 30 1 -2 31 2 -2 32 3 -2 33 4 -2 5 24 1 29 6 -2 29 7 -1 34 8 -1 35 9 -1 36 10 -1 11 24 2 12 25 2 27 13 -2 14 16 1 14 26 2 15 18 1 15 25 1 16 30 1 17 22 1 17 26 1 18 34 1 19 20 1 19 31 1 20 35 1 21 28 1 21 32 1 22 27 1 23 24 1 28 23 -2 25 29 1 26 33 1 27 33 1 28 36 1 29 31 1 30 35 1 30 36 1 31 34 1 32 34 1 32 35 1 33 36 1', '36 40 H 19.30 -13.26 H 15.48 -15.52 H 16.74 -13.26 H 20.51 -11.08 C 16.86 -6.53 C 15.20 -16.29 C 13.13 -16.19 C 15.48 -11.51 C 18.03 -11.59 C 19.30 -9.36 O 15.63 -8.61 O 11.73 -15.19 O 19.87 -7.64 C 21.73 -12.25 C 12.92 -12.99 C 20.51 -12.92 C 22.77 -9.82 C 14.20 -12.25 C 16.74 -15.19 C 18.03 -14.48 C 16.74 -10.78 O 22.21 -8.54 O 18.03 -8.61 C 16.86 -7.93 C 12.92 -14.48 C 21.73 -10.78 C 20.81 -8.61 C 18.03 -10.05 C 14.20 -15.19 C 19.30 -12.25 C 15.48 -14.48 C 16.74 -12.25 C 20.51 -10.05 C 15.48 -12.99 C 18.03 -12.99 C 19.30 -10.78 30 1 -2 31 2 -2 32 3 -2 33 4 -2 5 24 1 29 6 -2 29 7 -1 34 8 -1 35 9 -1 36 10 -1 11 24 2 12 25 2 27 13 -2 14 16 1 14 26 2 15 18 1 15 25 1 16 30 1 17 22 1 17 26 1 18 34 1 19 20 1 19 31 1 20 35 1 21 28 1 21 32 1 22 27 1 23 24 1 28 23 -2 25 29 1 26 33 1 27 33 1 28 36 1 29 31 1 30 35 1 30 36 1 31 34 1 32 34 1 32 35 1 33 36 1', '36 40 H 19.30 -13.26 H 15.48 -15.52 H 16.74 -13.26 H 20.51 -11.08 C:171 16.86 -6.53 C:27 15.20 -16.29 C:21 13.13 -16.19 C:16 15.48 -11.51 C:16 18.03 -11.59 C:15 19.30 -9.36 O 15.63 -8.61 O 11.73 -15.19 O 19.87 -7.64 C:116 21.73 -12.25 C:33 12.92 -12.99 C:23 20.51 -12.92 C:69 22.77 -9.82 C:39 14.20 -12.25 C:19 16.74 -15.19 C:41 18.03 -14.48 C:23 16.74 -10.78 O 22.21 -8.54 O 18.03 -8.61 C:21 16.86 -7.93 C:218 12.92 -14.48 C:137 21.73 -10.78 C:99 20.81 -8.61 C:75 18.03 -10.05 C:47 14.20 -15.19 C:50 19.30 -12.25 C:54 15.48 -14.48 C:54 16.74 -12.25 C:54 20.51 -10.05 C:38 15.48 -12.99 C:37 18.03 -12.99 C:37 19.30 -10.78 30 1 -2 31 2 -2 32 3 -2 33 4 -2 5 24 1 29 6 -2 29 7 -1 34 8 -1 35 9 -1 36 10 -1 11 24 2 12 25 2 27 13 -2 14 16 1 14 26 2 15 18 1 15 25 1 16 30 1 17 22 1 17 26 1 18 34 1 19 20 1 19 31 1 20 35 1 21 28 1 21 32 1 22 27 1 23 24 1 28 23 -2 25 29 1 26 33 1 27 33 1 28 36 1 29 31 1 30 35 1 30 36 1 31 34 1 32 34 1 32 35 1 33 36 1', 'C27H40O5', 444.318, 'C', 'tt99_9133_5', 3855, '', '', '1', 47, NULL, NULL),
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C:127 9.60 -10.48 C:127 15.19 -5.61 C:127 13.09 -4.40 C:130 20.17 -18.06 C:130 22.46 -17.28 C:129 11.00 -8.05 C:129 11.00 -10.48 C:77 24.40 -14.08 C:36 24.91 -10.70 C:27 17.94 -12.76 N 13.79 -8.05 O 25.62 -13.37 O 19.23 -8.23 O 15.90 -11.64 O 21.57 -14.63 O 23.05 -14.14 C:171 19.78 -6.96 C:170 23.84 -15.30 C:140 17.94 -10.48 C:167 13.09 -6.82 C:165 20.61 -15.68 C 15.19 -10.48 C:204 21.63 -9.36 C:133 19.23 -10.48 C 13.79 -5.61 C 21.09 -17.00 C 11.69 -9.25 C:72 23.66 -9.97 C:73 13.79 -10.48 C:72 17.30 -11.64 C:84 24.91 -12.14 C:76 20.04 -9.36 C:55 13.09 -9.24 C:72 21.09 -13.30 C:38 19.88 -11.64 C:45 19.23 -12.76 C:59 22.46 -10.70 C:43 22.46 -12.14 C:81 23.66 -12.87 60 1 -1 62 2 -2 3 41 1 4 42 1 5 43 1 59 6 -1 59 7 -2 61 8 -1 9 41 2 10 42 2 11 44 2 12 45 2 13 46 2 14 47 2 52 15 -1 53 16 -2 17 20 2 17 21 1 18 22 1 18 23 2 19 24 2 19 25 1 20 26 1 21 27 2 22 28 2 23 29 1 24 30 1 25 31 2 26 49 2 27 49 1 28 50 1 29 50 2 30 51 2 31 51 1 32 36 1 63 32 -1 33 52 1 33 55 1 34 54 1 34 60 1 35 44 1 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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
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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
(15311, 'Ircinin-2', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH3:14][C:13](=[CH:15][CH2:16][CH2:17][C@@H:18]([CH3:19])[CH:20]=[c:21]1o[c:24](=O)[c:23]([CH3:25])[c:22]1O)[CH2:12][CH2:11][CH2:10][c:8]3[cH:9]o[c:6]([CH2:5][c:3]2[cH:2][cH:1]o[cH:4]2)[cH:7]3', 'CC(=CCC[C@@H](C)C=c1oc(=O)c(C)c1O)CCCc3coc(Cc2ccoc2)c3', '[CH3:24][C:136](=[CH:126][CH2:27][CH2:39][C@@H:32]([CH3:21])[CH:113]=[c:148]1o[c:177](=O)[c:93]([CH3:66])[c:175]1O)[CH2:32][CH2:30][CH2:26][c:127]3[cH:139]o[c:156]([CH2:25][c:123]2[cH:112][cH:144]o[cH:141]2)[cH:108]3', '30 32 C:14 16.20 -8.73 C:25 6.49 -12.22 C:19 12.53 -10.81 O 7.73 -9.45 O 8.75 -14.27 C:15 14.96 -10.81 C:20 11.33 -12.87 C:1 28.06 -9.85 C:2 27.03 -10.81 C:4 26.12 -8.73 C:9 21.42 -8.73 C:7 22.22 -10.81 C:16 14.96 -12.22 C:11 18.61 -10.13 C:12 17.39 -10.81 C:10 19.83 -10.81 C:17 13.75 -12.87 C:5 24.58 -10.81 O 27.50 -8.58 O 22.89 -8.73 O 9.82 -10.81 C:13 16.20 -10.13 C:23 7.86 -11.93 C:3 25.83 -10.13 C:8 21.03 -10.13 C:6 23.32 -9.99 C:22 8.90 -12.87 C:24 8.43 -10.66 C:21 10.11 -12.17 C:18 12.53 -12.17 1 22 1 2 23 1 30 3 -2 4 28 2 5 27 1 6 13 1 6 22 2 7 29 2 7 30 1 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 20 1 11 25 2 12 25 1 12 26 2 13 17 1 14 15 1 14 16 1 15 22 1 16 25 1 17 30 1 18 24 1 18 26 1 20 26 1 21 28 1 21 29 1 23 27 2 23 28 1 27 29 1', '30 32 C 16.20 -8.73 C 6.49 -12.22 C 12.53 -10.81 O 7.73 -9.45 O 8.75 -14.27 C 14.96 -10.81 C 11.33 -12.87 C 28.06 -9.85 C 27.03 -10.81 C 26.12 -8.73 C 21.42 -8.73 C 22.22 -10.81 C 14.96 -12.22 C 18.61 -10.13 C 17.39 -10.81 C 19.83 -10.81 C 13.75 -12.87 C 24.58 -10.81 O 27.50 -8.58 O 22.89 -8.73 O 9.82 -10.81 C 16.20 -10.13 C 7.86 -11.93 C 25.83 -10.13 C 21.03 -10.13 C 23.32 -9.99 C 8.90 -12.87 C 8.43 -10.66 C 10.11 -12.17 C 12.53 -12.17 1 22 1 2 23 1 30 3 -2 4 28 2 5 27 1 6 13 1 6 22 2 7 29 2 7 30 1 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 20 1 11 25 2 12 25 1 12 26 2 13 17 1 14 15 1 14 16 1 15 22 1 16 25 1 17 30 1 18 24 1 18 26 1 20 26 1 21 28 1 21 29 1 23 27 2 23 28 1 27 29 1', '30 32 C:24 16.20 -8.73 C:6 6.49 -12.22 C:21 12.53 -10.81 O 7.73 -9.45 O 8.75 -14.27 C:126 14.96 -10.81 C:113 11.33 -12.87 C:144 28.06 -9.85 C:112 27.03 -10.81 C:141 26.12 -8.73 C:139 21.42 -8.73 C:108 22.22 -10.81 C:27 14.96 -12.22 C:30 18.61 -10.13 C:32 17.39 -10.81 C:26 19.83 -10.81 C:39 13.75 -12.87 C:25 24.58 -10.81 O 27.50 -8.58 O 22.89 -8.73 O 9.82 -10.81 C:136 16.20 -10.13 C:93 7.86 -11.93 C:123 25.83 -10.13 C:127 21.03 -10.13 C:156 23.32 -9.99 C:175 8.90 -12.87 C:177 8.43 -10.66 C:148 10.11 -12.17 C:32 12.53 -12.17 1 22 1 2 23 1 30 3 -2 4 28 2 5 27 1 6 13 1 6 22 2 7 29 2 7 30 1 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 20 1 11 25 2 12 25 1 12 26 2 13 17 1 14 15 1 14 16 1 15 22 1 16 25 1 17 30 1 18 24 1 18 26 1 20 26 1 21 28 1 21 29 1 23 27 2 23 28 1 27 29 1', 'C25H30O5', 410.264, 'M', 'np01_1301_6', 4293, '', '', '1', 47, NULL, NULL),
(15312, 'Sarcotin E', '', 'Terpenoids', 'Sesterterpenoids', 'Acyclics', '[CH3:14][C:13](=[CH:15][CH2:16][CH2:17][C@@H:18]([CH3:19])[CH:20]=[c:21]1o[c:24](=O)[c:23]([CH3:25])[c:22]1O)[CH2:12][CH2:11][CH2:10][c:8]3[cH:9]o[c:6]([CH2:5][c:3]2[cH:2][cH:1]o[cH:4]2)[cH:7]3', 'CC(=CCC[C@@H](C)C=c1oc(=O)c(C)c1O)CCCc3coc(Cc2ccoc2)c3', '[CH3:24][C:136](=[CH:127][CH2:27][CH2:39][C@@H:30]([CH3:22])[CH:120]=[c:148]1o[c:176](=O)[c:97]([CH3:66])[c:173]1O)[CH2:32][CH2:30][CH2:26][c:127]3[cH:139]o[c:156]([CH2:25][c:123]2[cH:112][cH:144]o[cH:141]2)[cH:108]3', '30 32 C:14 16.20 -9.46 C:25 7.73 -10.18 C:19 12.53 -11.54 O 6.49 -12.95 O 10.76 -10.50 C:15 14.96 -11.54 C:20 11.33 -13.60 C:1 28.06 -10.58 C:2 27.03 -11.54 C:4 26.12 -9.46 C:9 21.42 -9.46 C:7 22.22 -11.54 C:16 14.96 -12.95 C:11 18.61 -10.86 C:12 17.39 -11.54 C:10 19.83 -11.54 C:17 13.75 -13.60 C:5 24.58 -11.54 O 27.50 -9.31 O 22.89 -9.46 O 8.90 -13.60 C:13 16.20 -10.86 C:23 8.43 -11.39 C:3 25.83 -10.86 C:8 21.03 -10.86 C:6 23.32 -10.72 C:22 9.82 -11.54 C:24 7.86 -12.66 C:21 10.11 -12.90 C:18 12.53 -12.90 1 22 1 2 23 1 30 3 -2 4 28 2 5 27 1 6 13 1 6 22 2 7 29 2 7 30 1 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 20 1 11 25 2 12 25 1 12 26 2 13 17 1 14 15 1 14 16 1 15 22 1 16 25 1 17 30 1 18 24 1 18 26 1 20 26 1 21 28 1 21 29 1 23 27 2 23 28 1 27 29 1', '30 32 C 16.20 -9.46 C 7.73 -10.18 C 12.53 -11.54 O 6.49 -12.95 O 10.76 -10.50 C 14.96 -11.54 C 11.33 -13.60 C 28.06 -10.58 C 27.03 -11.54 C 26.12 -9.46 C 21.42 -9.46 C 22.22 -11.54 C 14.96 -12.95 C 18.61 -10.86 C 17.39 -11.54 C 19.83 -11.54 C 13.75 -13.60 C 24.58 -11.54 O 27.50 -9.31 O 22.89 -9.46 O 8.90 -13.60 C 16.20 -10.86 C 8.43 -11.39 C 25.83 -10.86 C 21.03 -10.86 C 23.32 -10.72 C 9.82 -11.54 C 7.86 -12.66 C 10.11 -12.90 C 12.53 -12.90 1 22 1 2 23 1 30 3 -2 4 28 2 5 27 1 6 13 1 6 22 2 7 29 2 7 30 1 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 20 1 11 25 2 12 25 1 12 26 2 13 17 1 14 15 1 14 16 1 15 22 1 16 25 1 17 30 1 18 24 1 18 26 1 20 26 1 21 28 1 21 29 1 23 27 2 23 28 1 27 29 1', '30 32 C:24 16.20 -9.46 C:6 7.73 -10.18 C:22 12.53 -11.54 O 6.49 -12.95 O 10.76 -10.50 C:127 14.96 -11.54 C:120 11.33 -13.60 C:144 28.06 -10.58 C:112 27.03 -11.54 C:141 26.12 -9.46 C:139 21.42 -9.46 C:108 22.22 -11.54 C:27 14.96 -12.95 C:30 18.61 -10.86 C:32 17.39 -11.54 C:26 19.83 -11.54 C:39 13.75 -13.60 C:25 24.58 -11.54 O 27.50 -9.31 O 22.89 -9.46 O 8.90 -13.60 C:136 16.20 -10.86 C:97 8.43 -11.39 C:123 25.83 -10.86 C:127 21.03 -10.86 C:156 23.32 -10.72 C:173 9.82 -11.54 C:176 7.86 -12.66 C:148 10.11 -12.90 C:30 12.53 -12.90 1 22 1 2 23 1 30 3 -2 4 28 2 5 27 1 6 13 1 6 22 2 7 29 2 7 30 1 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 20 1 11 25 2 12 25 1 12 26 2 13 17 1 14 15 1 14 16 1 15 22 1 16 25 1 17 30 1 18 24 1 18 26 1 20 26 1 21 28 1 21 29 1 23 27 2 23 28 1 27 29 1', 'C25H30O5', 410.264, 'M+M', 'np01_1301_7', 4293, '', '', '1', 47, NULL, NULL),
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