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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(5676, 'Coronalolide methyl ester', '3,4-seco-cycloart-4(28),24-diene-6-hydroxy-26-01-3,29-dioic acid-29-alfas,gamma-lactone-3-methyl ester', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:6]45[CH2:7][C@@:8]2([H])[C@:14]1([CH3:30])[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH:26]=O)[C@@:13]1([CH3:18])[CH2:12][CH2:11][C@:9]23[CH2:19][C@:10]3([CH2:1][CH2:2][C:3](=O)O[CH3:3001])[C@:5]4([H])[C:4](=[CH2:28])[C:29](=O)O5', '[H][C@@]45C[C@@]2([H])[C@]1(C)CC[C@]([H])([C@H](C)CCC=C(C)C=O)[C@@]1(C)CC[C@]23C[C@]3(CCC(=O)OC)[C@]4([H])C(=C)C(=O)O5', '[H][C@@:74]45[CH2:27][C@@:38]2([H])[C@:49]1([CH3:20])[CH2:35][CH2:28][C@:51]([H])([C@H:36]([CH3:18])[CH2:35][CH2:26][CH:155]=[C:139]([CH3:9])[CH:195]=O)[C@@:46]1([CH3:16])[CH2:33][CH2:26][C@:25]23[CH2:23][C@:28]3([CH2:31][CH2:31][C:173](=O)O[CH3:52])[C@:39]4([H])[C:139](=[CH2:123])[C:171](=O)O5', '40 44 H 14.38 -13.93 H 17.35 -9.60 H 14.76 -10.05 H 11.53 -12.12 C:28 9.82 -13.33 C:3001 6.09 -10.39 C:27 22.23 -10.14 C:21 16.89 -6.13 C:18 16.06 -7.59 C:30 16.06 -11.87 O 25.06 -9.50 O 8.52 -9.05 O 11.07 -16.15 C:26 24.12 -8.46 C:24 21.69 -7.69 C:23 20.26 -8.00 C:2 9.72 -11.17 C:22 19.31 -6.89 C:16 18.28 -9.76 C:1 10.98 -10.46 C:15 17.37 -10.89 C:12 14.76 -8.30 C:11 13.53 -9.03 C:7 14.76 -12.64 C:19 12.25 -9.76 O 7.29 -11.12 O 13.21 -14.77 C:25 22.66 -8.76 C:3 8.52 -10.43 C:4 11.20 -13.62 C:29 11.79 -14.92 C:20 17.86 -7.21 C:6 13.53 -13.39 C:17 17.37 -8.59 C:8 14.76 -11.17 C:5 12.25 -12.64 C:13 16.04 -9.03 C:14 16.04 -10.46 C:9 13.53 -10.46 C:10 12.25 -11.17 33 1 -2 34 2 -2 35 3 -1 36 4 -2 5 30 2 6 26 1 7 28 1 32 8 -2 37 9 -1 38 10 -2 11 14 2 12 29 2 13 31 2 14 28 1 15 16 1 15 28 2 16 18 1 17 20 1 17 29 1 18 32 1 19 21 1 19 34 1 40 20 -2 21 38 1 22 23 1 22 37 1 23 39 1 24 33 1 24 35 1 39 25 -1 25 40 1 26 29 1 27 31 1 27 33 1 30 31 1 30 36 1 32 34 1 33 36 1 34 37 1 35 38 1 35 39 1 36 40 1 37 38 1 39 40 1', '40 44 H 14.38 -13.93 H 17.35 -9.60 H 14.76 -10.05 H 11.53 -12.12 C 9.82 -13.33 C 6.09 -10.39 C 22.23 -10.14 C 16.89 -6.13 C 16.06 -7.59 C 16.06 -11.87 O 25.06 -9.50 O 8.52 -9.05 O 11.07 -16.15 C 24.12 -8.46 C 21.69 -7.69 C 20.26 -8.00 C 9.72 -11.17 C 19.31 -6.89 C 18.28 -9.76 C 10.98 -10.46 C 17.37 -10.89 C 14.76 -8.30 C 13.53 -9.03 C 14.76 -12.64 C 12.25 -9.76 O 7.29 -11.12 O 13.21 -14.77 C 22.66 -8.76 C 8.52 -10.43 C 11.20 -13.62 C 11.79 -14.92 C 17.86 -7.21 C 13.53 -13.39 C 17.37 -8.59 C 14.76 -11.17 C 12.25 -12.64 C 16.04 -9.03 C 16.04 -10.46 C 13.53 -10.46 C 12.25 -11.17 33 1 -2 34 2 -2 35 3 -1 36 4 -2 5 30 2 6 26 1 7 28 1 32 8 -2 37 9 -1 38 10 -2 11 14 2 12 29 2 13 31 2 14 28 1 15 16 1 15 28 2 16 18 1 17 20 1 17 29 1 18 32 1 19 21 1 19 34 1 40 20 -2 21 38 1 22 23 1 22 37 1 23 39 1 24 33 1 24 35 1 39 25 -1 25 40 1 26 29 1 27 31 1 27 33 1 30 31 1 30 36 1 32 34 1 33 36 1 34 37 1 35 38 1 35 39 1 36 40 1 37 38 1 39 40 1', '40 44 H 14.38 -13.93 H 17.35 -9.60 H 14.76 -10.05 H 11.53 -12.12 C:123 9.82 -13.33 C:52 6.09 -10.39 C:9 22.23 -10.14 C:18 16.89 -6.13 C:16 16.06 -7.59 C:20 16.06 -11.87 O 25.06 -9.50 O 8.52 -9.05 O 11.07 -16.15 C:195 24.12 -8.46 C:155 21.69 -7.69 C:26 20.26 -8.00 C:31 9.72 -11.17 C:35 19.31 -6.89 C:28 18.28 -9.76 C:31 10.98 -10.46 C:35 17.37 -10.89 C:33 14.76 -8.30 C:26 13.53 -9.03 C:27 14.76 -12.64 C:23 12.25 -9.76 O 7.29 -11.12 O 13.21 -14.77 C:139 22.66 -8.76 C:173 8.52 -10.43 C:139 11.20 -13.62 C:171 11.79 -14.92 C:36 17.86 -7.21 C:74 13.53 -13.39 C:51 17.37 -8.59 C:38 14.76 -11.17 C:39 12.25 -12.64 C:46 16.04 -9.03 C:49 16.04 -10.46 C:25 13.53 -10.46 C:28 12.25 -11.17 33 1 -2 34 2 -2 35 3 -1 36 4 -2 5 30 2 6 26 1 7 28 1 32 8 -2 37 9 -1 38 10 -2 11 14 2 12 29 2 13 31 2 14 28 1 15 16 1 15 28 2 16 18 1 17 20 1 17 29 1 18 32 1 19 21 1 19 34 1 40 20 -2 21 38 1 22 23 1 22 37 1 23 39 1 24 33 1 24 35 1 39 25 -1 25 40 1 26 29 1 27 31 1 27 33 1 30 31 1 30 36 1 32 34 1 33 36 1 34 37 1 35 38 1 35 39 1 36 40 1 37 38 1 39 40 1', 'C31H44O5', 496.36, 'C', 'ttr_53_529_1', 2086, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(5678, 'Coronalolic acid', '3,4-seco-cycloart-4(28),24-dien-26-ol-29-hydroxy-3-oic acid', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]3([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH:26]=O)[CH2:16][CH2:15][C@@:14]4([CH3:30])[C@:8]1([H])[CH2:7][CH2:6][C@@H:5]([C:4](=[CH2:29])[CH2:28]O)[C@@:10]2([CH2:1][CH2:2][C:3](=O)O)[CH2:19][C@@:9]12[CH2:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)CCC=C(C)C=O)CC[C@@]4(C)[C@]1([H])CC[C@@H](C(=C)CO)[C@@]2(CCC(=O)O)C[C@@]12CC[C@]34C', '[H][C@:52]3([C@H:36]([CH3:18])[CH2:35][CH2:26][CH:156]=[C:139]([CH3:9])[CH:196]=O)[CH2:28][CH2:36][C@@:49]4([CH3:19])[C@:48]1([H])[CH2:25][CH2:29][C@@H:42]([C:152](=[CH2:111])[CH2:65]O)[C@@:27]2([CH2:28][CH2:30][C:179](=O)O)[CH2:30][C@@:22]12[CH2:27][CH2:33][C@:45]34[CH3:18]', '36 39 H 16.59 -10.21 H 14.16 -10.77 C:29 10.47 -15.43 C:27 21.49 -10.86 C:21 16.26 -6.90 C:18 15.44 -8.33 C:30 15.44 -12.56 O 24.28 -10.24 O 8.03 -9.76 O 8.02 -14.02 O 6.82 -11.83 C:26 23.36 -9.19 C:24 20.97 -8.43 C:28 9.23 -13.31 C:23 19.57 -8.73 C:2 9.23 -11.87 C:22 18.62 -7.65 C:6 12.95 -14.03 C:7 14.16 -13.31 C:1 10.47 -11.18 C:16 17.61 -10.47 C:15 16.74 -11.60 C:12 14.16 -9.03 C:11 12.95 -9.76 C:19 11.71 -10.47 C:25 21.93 -9.48 C:4 10.47 -14.03 C:3 8.03 -11.15 C:20 17.20 -7.97 C:5 11.71 -13.31 C:17 16.74 -9.31 C:8 14.16 -11.87 C:13 15.42 -9.76 C:14 15.42 -11.18 C:10 11.71 -11.87 C:9 12.95 -11.18 31 1 -2 32 2 -1 3 27 2 4 26 1 29 5 -2 33 6 -1 34 7 -2 8 12 2 9 28 2 10 14 1 11 28 1 12 26 1 13 15 1 13 26 2 14 27 1 15 17 1 16 20 1 16 28 1 17 29 1 18 19 1 18 30 1 19 32 1 35 20 -2 21 22 1 21 31 1 22 34 1 23 24 1 23 33 1 24 36 1 25 35 1 36 25 -1 30 27 -1 29 31 1 30 35 1 31 33 1 32 34 1 32 36 1 33 34 1 35 36 1', '36 39 H 16.59 -10.21 H 14.16 -10.77 C 10.47 -15.43 C 21.49 -10.86 C 16.26 -6.90 C 15.44 -8.33 C 15.44 -12.56 O 24.28 -10.24 O 8.03 -9.76 O 8.02 -14.02 O 6.82 -11.83 C 23.36 -9.19 C 20.97 -8.43 C 9.23 -13.31 C 19.57 -8.73 C 9.23 -11.87 C 18.62 -7.65 C 12.95 -14.03 C 14.16 -13.31 C 10.47 -11.18 C 17.61 -10.47 C 16.74 -11.60 C 14.16 -9.03 C 12.95 -9.76 C 11.71 -10.47 C 21.93 -9.48 C 10.47 -14.03 C 8.03 -11.15 C 17.20 -7.97 C 11.71 -13.31 C 16.74 -9.31 C 14.16 -11.87 C 15.42 -9.76 C 15.42 -11.18 C 11.71 -11.87 C 12.95 -11.18 31 1 -2 32 2 -1 3 27 2 4 26 1 29 5 -2 33 6 -1 34 7 -2 8 12 2 9 28 2 10 14 1 11 28 1 12 26 1 13 15 1 13 26 2 14 27 1 15 17 1 16 20 1 16 28 1 17 29 1 18 19 1 18 30 1 19 32 1 35 20 -2 21 22 1 21 31 1 22 34 1 23 24 1 23 33 1 24 36 1 25 35 1 36 25 -1 30 27 -1 29 31 1 30 35 1 31 33 1 32 34 1 32 36 1 33 34 1 35 36 1', '36 39 H 16.59 -10.21 H 14.16 -10.77 C:111 10.47 -15.43 C:9 21.49 -10.86 C:18 16.26 -6.90 C:18 15.44 -8.33 C:19 15.44 -12.56 O 24.28 -10.24 O 8.03 -9.76 O 8.02 -14.02 O 6.82 -11.83 C:196 23.36 -9.19 C:156 20.97 -8.43 C:65 9.23 -13.31 C:26 19.57 -8.73 C:30 9.23 -11.87 C:35 18.62 -7.65 C:29 12.95 -14.03 C:25 14.16 -13.31 C:28 10.47 -11.18 C:28 17.61 -10.47 C:36 16.74 -11.60 C:33 14.16 -9.03 C:27 12.95 -9.76 C:30 11.71 -10.47 C:139 21.93 -9.48 C:152 10.47 -14.03 C:179 8.03 -11.15 C:36 17.20 -7.97 C:42 11.71 -13.31 C:52 16.74 -9.31 C:48 14.16 -11.87 C:45 15.42 -9.76 C:49 15.42 -11.18 C:27 11.71 -11.87 C:22 12.95 -11.18 31 1 -2 32 2 -1 3 27 2 4 26 1 29 5 -2 33 6 -1 34 7 -2 8 12 2 9 28 2 10 14 1 11 28 1 12 26 1 13 15 1 13 26 2 14 27 1 15 17 1 16 20 1 16 28 1 17 29 1 18 19 1 18 30 1 19 32 1 35 20 -2 21 22 1 21 31 1 22 34 1 23 24 1 23 33 1 24 36 1 25 35 1 36 25 -1 30 27 -1 29 31 1 30 35 1 31 33 1 32 34 1 32 36 1 33 34 1 35 36 1', 'C30H46O4', 470.334, 'C', 'ttr_53_529_3', 2086, '', '', '1', 1, 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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(5699, '6b-Hydroxyhovenic acid', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][C@@H:2](O)[C@H:3](O)[C@@:4]([CH3:24])([CH2:23]O)[C@:5]1([H])[C@H:6](O)[CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]5([C:28](=O)O)[CH2:22][CH2:21][C@@H:19]([C:20](=[CH2:29])[CH3:30])[C@:18]45[H]', '[H][C@]34CC[C@]2([H])[C@@]1(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]1([H])[C@H](O)C[C@@]2(C)[C@]3(C)CC[C@@]5(C(=O)O)CC[C@@H](C(=C)C)[C@]45[H]', '[H][C@:38]34[CH2:26][CH2:22][C@:52]2([H])[C@@:41]1([CH3:16])[CH2:50][C@@H:69](O)[C@H:78](O)[C@@:39]([CH3:20])([CH2:66]O)[C@:49]1([H])[C@H:68](O)[CH2:42][C@@:43]2([CH3:17])[C@:45]3([CH3:15])[CH2:30][CH2:33][C@@:57]5([C:179](=O)O)[CH2:38][CH2:31][C@@H:48]([C:151](=[CH2:110])[CH3:20])[C@:50]45[H]', '40 44 H 16.85 -8.95 H 14.34 -12.37 H 13.08 -14.55 H 18.11 -10.31 C:29 17.90 -5.45 C:30 16.06 -7.12 C:24 10.87 -15.58 C:27 16.85 -12.88 C:25 13.08 -10.72 C:26 15.59 -10.72 O 20.64 -11.99 O 12.07 -16.80 O 21.80 -9.80 O 9.38 -11.43 O 14.35 -15.75 O 9.38 -14.34 C:21 19.84 -7.71 C:23 12.66 -15.53 C:22 20.42 -9.01 C:12 15.59 -9.25 C:11 14.34 -9.99 C:15 18.11 -12.15 C:16 19.38 -11.43 C:1 11.83 -11.43 C:7 15.59 -13.62 C:20 17.46 -6.82 C:28 20.64 -10.59 C:2 10.58 -12.15 C:6 14.34 -14.34 C:3 10.58 -13.62 C:19 18.41 -7.87 C:13 16.85 -9.99 C:9 14.34 -11.43 C:5 13.08 -13.62 C:18 18.11 -9.25 C:4 11.83 -14.34 C:14 16.85 -11.43 C:10 13.08 -12.15 C:8 15.59 -12.15 C:17 19.38 -9.99 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 26 2 6 26 1 36 7 -1 37 8 -2 38 9 -1 39 10 -1 11 27 2 12 18 1 13 27 1 28 14 -2 29 15 -1 30 16 -1 17 19 1 17 31 1 36 18 -2 19 40 1 20 21 1 20 32 1 21 33 1 22 23 1 22 37 1 23 40 1 24 28 1 24 38 1 25 29 1 25 39 1 31 26 -2 40 27 -1 28 30 1 29 34 1 30 36 1 31 35 1 32 35 1 32 37 1 33 38 1 33 39 1 34 36 1 34 38 1 35 40 1 37 39 1', '40 44 H 16.85 -8.95 H 14.34 -12.37 H 13.08 -14.55 H 18.11 -10.31 C 17.90 -5.45 C 16.06 -7.12 C 10.87 -15.58 C 16.85 -12.88 C 13.08 -10.72 C 15.59 -10.72 O 20.64 -11.99 O 12.07 -16.80 O 21.80 -9.80 O 9.38 -11.43 O 14.35 -15.75 O 9.38 -14.34 C 19.84 -7.71 C 12.66 -15.53 C 20.42 -9.01 C 15.59 -9.25 C 14.34 -9.99 C 18.11 -12.15 C 19.38 -11.43 C 11.83 -11.43 C 15.59 -13.62 C 17.46 -6.82 C 20.64 -10.59 C 10.58 -12.15 C 14.34 -14.34 C 10.58 -13.62 C 18.41 -7.87 C 16.85 -9.99 C 14.34 -11.43 C 13.08 -13.62 C 18.11 -9.25 C 11.83 -14.34 C 16.85 -11.43 C 13.08 -12.15 C 15.59 -12.15 C 19.38 -9.99 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 26 2 6 26 1 36 7 -1 37 8 -2 38 9 -1 39 10 -1 11 27 2 12 18 1 13 27 1 28 14 -2 29 15 -1 30 16 -1 17 19 1 17 31 1 36 18 -2 19 40 1 20 21 1 20 32 1 21 33 1 22 23 1 22 37 1 23 40 1 24 28 1 24 38 1 25 29 1 25 39 1 31 26 -2 40 27 -1 28 30 1 29 34 1 30 36 1 31 35 1 32 35 1 32 37 1 33 38 1 33 39 1 34 36 1 34 38 1 35 40 1 37 39 1', '40 44 H 16.85 -8.95 H 14.34 -12.37 H 13.08 -14.55 H 18.11 -10.31 C:110 17.90 -5.45 C:20 16.06 -7.12 C:20 10.87 -15.58 C:15 16.85 -12.88 C:16 13.08 -10.72 C:17 15.59 -10.72 O 20.64 -11.99 O 12.07 -16.80 O 21.80 -9.80 O 9.38 -11.43 O 14.35 -15.75 O 9.38 -14.34 C:31 19.84 -7.71 C:66 12.66 -15.53 C:38 20.42 -9.01 C:26 15.59 -9.25 C:22 14.34 -9.99 C:30 18.11 -12.15 C:33 19.38 -11.43 C:50 11.83 -11.43 C:42 15.59 -13.62 C:151 17.46 -6.82 C:179 20.64 -10.59 C:69 10.58 -12.15 C:68 14.34 -14.34 C:78 10.58 -13.62 C:48 18.41 -7.87 C:38 16.85 -9.99 C:52 14.34 -11.43 C:49 13.08 -13.62 C:50 18.11 -9.25 C:39 11.83 -14.34 C:45 16.85 -11.43 C:41 13.08 -12.15 C:43 15.59 -12.15 C:57 19.38 -9.99 32 1 -1 33 2 -2 34 3 -2 35 4 -2 5 26 2 6 26 1 36 7 -1 37 8 -2 38 9 -1 39 10 -1 11 27 2 12 18 1 13 27 1 28 14 -2 29 15 -1 30 16 -1 17 19 1 17 31 1 36 18 -2 19 40 1 20 21 1 20 32 1 21 33 1 22 23 1 22 37 1 23 40 1 24 28 1 24 38 1 25 29 1 25 39 1 31 26 -2 40 27 -1 28 30 1 29 34 1 30 36 1 31 35 1 32 35 1 32 37 1 33 38 1 33 39 1 34 36 1 34 38 1 35 40 1 37 39 1', 'C30H48O6', 504.349, 'M', 'np01_360_2', 23, '', '', '1', 1, NULL, NULL),
(5700, '6b-Hydroxyarjunic acid', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]34[CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C@H:19](O)[C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@@:14]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][C@@H:6](O)[C@@:5]5([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[C@H:2](O)[CH2:1][C@:10]45[CH3:25]', '[H][C@]34CC=C2[C@]1([H])[C@H](O)[C@@](C)(C)CC[C@]1(C(=O)O)CC[C@@]2(C)[C@]3(C)C[C@@H](O)[C@@]5([H])[C@@](C)(C)[C@@H](O)[C@H](O)C[C@]45C', '[H][C@:49]34[CH2:24][CH:123]=[C:144]2[C@:45]1([H])[C@H:81](O)[C@@:36]([CH3:29])([CH3:25])[CH2:29][CH2:34][C@:46]1([C:181](=O)O)[CH2:28][CH2:29][C@@:43]2([CH3:18])[C@:40]3([CH3:25])[CH2:42][C@@H:68](O)[C@@:57]5([H])[C@@:41]([CH3:29])([CH3:19])[C@@H:84](O)[C@H:69](O)[CH2:50][C@:39]45[CH3:18]', '39 43 H 14.37 -12.84 H 18.05 -10.99 H 13.06 -15.07 C:29 20.11 -6.39 C:30 18.48 -6.38 C:23 12.55 -15.95 C:24 11.06 -15.90 C:27 16.84 -13.28 C:26 15.59 -11.12 C:25 13.06 -11.12 O 20.51 -12.49 O 21.70 -10.38 O 9.43 -11.83 O 14.38 -16.10 O 9.44 -14.74 O 16.83 -7.58 C:12 15.58 -9.72 C:11 14.34 -10.41 C:21 20.52 -8.28 C:15 18.05 -12.55 C:22 20.52 -9.72 C:16 19.28 -11.82 C:1 11.83 -11.82 C:7 15.58 -14.00 C:28 20.50 -11.09 C:13 16.82 -10.41 C:2 10.63 -12.55 C:6 14.34 -14.70 C:3 10.63 -14.00 C:19 18.05 -8.28 C:20 19.28 -7.55 C:4 11.83 -14.70 C:9 14.34 -11.82 C:18 18.05 -9.72 C:14 16.82 -11.82 C:5 13.06 -14.00 C:8 15.58 -12.55 C:10 13.06 -12.55 C:17 19.28 -10.41 33 1 -2 34 2 -1 36 3 -2 31 4 -2 31 5 -1 32 6 -2 32 7 -1 35 8 -2 37 9 -1 38 10 -1 11 25 2 12 25 1 27 13 -2 28 14 -1 29 15 -1 30 16 -2 17 18 1 17 26 2 18 33 1 19 21 1 19 31 1 20 22 1 20 35 1 21 39 1 22 39 1 23 27 1 23 38 1 24 28 1 24 37 1 39 25 -1 26 34 1 26 35 1 27 29 1 28 36 1 29 32 1 30 31 1 30 34 1 32 36 1 33 37 1 33 38 1 34 39 1 35 37 1 36 38 1', '39 43 H 14.37 -12.84 H 18.05 -10.99 H 13.06 -15.07 C 20.11 -6.39 C 18.48 -6.38 C 12.55 -15.95 C 11.06 -15.90 C 16.84 -13.28 C 15.59 -11.12 C 13.06 -11.12 O 20.51 -12.49 O 21.70 -10.38 O 9.43 -11.83 O 14.38 -16.10 O 9.44 -14.74 O 16.83 -7.58 C 15.58 -9.72 C 14.34 -10.41 C 20.52 -8.28 C 18.05 -12.55 C 20.52 -9.72 C 19.28 -11.82 C 11.83 -11.82 C 15.58 -14.00 C 20.50 -11.09 C 16.82 -10.41 C 10.63 -12.55 C 14.34 -14.70 C 10.63 -14.00 C 18.05 -8.28 C 19.28 -7.55 C 11.83 -14.70 C 14.34 -11.82 C 18.05 -9.72 C 16.82 -11.82 C 13.06 -14.00 C 15.58 -12.55 C 13.06 -12.55 C 19.28 -10.41 33 1 -2 34 2 -1 36 3 -2 31 4 -2 31 5 -1 32 6 -2 32 7 -1 35 8 -2 37 9 -1 38 10 -1 11 25 2 12 25 1 27 13 -2 28 14 -1 29 15 -1 30 16 -2 17 18 1 17 26 2 18 33 1 19 21 1 19 31 1 20 22 1 20 35 1 21 39 1 22 39 1 23 27 1 23 38 1 24 28 1 24 37 1 39 25 -1 26 34 1 26 35 1 27 29 1 28 36 1 29 32 1 30 31 1 30 34 1 32 36 1 33 37 1 33 38 1 34 39 1 35 37 1 36 38 1', '39 43 H 14.37 -12.84 H 18.05 -10.99 H 13.06 -15.07 C:29 20.11 -6.39 C:25 18.48 -6.38 C:29 12.55 -15.95 C:19 11.06 -15.90 C:18 16.84 -13.28 C:25 15.59 -11.12 C:18 13.06 -11.12 O 20.51 -12.49 O 21.70 -10.38 O 9.43 -11.83 O 14.38 -16.10 O 9.44 -14.74 O 16.83 -7.58 C:123 15.58 -9.72 C:24 14.34 -10.41 C:29 20.52 -8.28 C:29 18.05 -12.55 C:34 20.52 -9.72 C:28 19.28 -11.82 C:50 11.83 -11.82 C:42 15.58 -14.00 C:181 20.50 -11.09 C:144 16.82 -10.41 C:69 10.63 -12.55 C:68 14.34 -14.70 C:84 10.63 -14.00 C:81 18.05 -8.28 C:36 19.28 -7.55 C:41 11.83 -14.70 C:49 14.34 -11.82 C:45 18.05 -9.72 C:43 16.82 -11.82 C:57 13.06 -14.00 C:40 15.58 -12.55 C:39 13.06 -12.55 C:46 19.28 -10.41 33 1 -2 34 2 -1 36 3 -2 31 4 -2 31 5 -1 32 6 -2 32 7 -1 35 8 -2 37 9 -1 38 10 -1 11 25 2 12 25 1 27 13 -2 28 14 -1 29 15 -1 30 16 -2 17 18 1 17 26 2 18 33 1 19 21 1 19 31 1 20 22 1 20 35 1 21 39 1 22 39 1 23 27 1 23 38 1 24 28 1 24 37 1 39 25 -1 26 34 1 26 35 1 27 29 1 28 36 1 29 32 1 30 31 1 30 34 1 32 36 1 33 37 1 33 38 1 34 39 1 35 37 1 36 38 1', 'C30H48O6', 504.341, 'M', 'np01_360_3', 23, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(5701, '', '3b-Acetoxy-12b,13b-epoxy-11r-hydroperoxyursane', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]56[CH2:6][CH2:7][C@@:8]4([CH3:26])[C@:14]2([CH3:27])[CH2:15][CH2:16][C@@:17]1([CH3:28])[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@H:19]([CH3:29])[C@@:18]1([H])[C@:13]23O[C@@H:12]3[C@@H:11](OO)[C@:9]4([H])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]56CC[C@@]4(C)[C@]2(C)CC[C@@]1(C)CC[C@@H](C)[C@H](C)[C@@]1([H])[C@]23O[C@@H]3[C@@H](OO)[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)[C@]6(C)C', '[H][C@@:55]56[CH2:18][CH2:34][C@@:41]4([CH3:22])[C@:41]2([CH3:19])[CH2:25][CH2:28][C@@:35]1([CH3:29])[CH2:42][CH2:31][C@@H:40]([CH3:21])[C@H:39]([CH3:18])[C@@:58]1([H])[C@:65]23O[C@@H:57]3[C@@H:80](OO)[C@:51]4([H])[C@@:38]5([CH3:17])[CH2:38][CH2:24][C@H:81](O[C:171]([CH3:21])=O)[C@:38]6([CH3:28])[CH3:16]', '40 45 H 14.89 -15.00 H 19.89 -10.77 H 16.15 -12.83 C:3002 8.77 -14.83 C:30 21.11 -6.21 C:29 18.68 -7.61 C:23 14.47 -15.98 C:24 12.68 -16.03 C:28 21.16 -9.06 C:25 14.89 -11.18 C:26 17.39 -11.18 C:27 18.64 -13.34 O 9.95 -12.72 O 14.98 -8.37 C:21 22.32 -8.32 C:2 12.40 -12.61 C:22 22.32 -9.72 C:16 21.16 -11.89 C:1 13.64 -11.89 C:6 16.15 -14.79 C:15 19.89 -12.61 C:7 17.39 -14.08 O 14.93 -9.77 O 11.20 -14.79 O 18.64 -9.06 C:3001 9.97 -14.12 C:20 21.11 -7.61 C:19 19.89 -8.32 C:3 12.40 -14.08 C:11 16.15 -10.46 C:12 17.39 -9.72 C:4 13.64 -14.79 C:17 21.16 -10.46 C:5 14.89 -14.08 C:10 14.89 -12.61 C:8 17.39 -12.61 C:14 18.64 -11.89 C:18 19.89 -9.72 C:9 16.15 -11.89 C:13 18.64 -10.46 34 1 -2 38 2 -1 39 3 -2 4 26 1 27 5 -2 28 6 -1 32 7 -2 32 8 -1 33 9 -1 35 10 -1 36 11 -1 37 12 -2 13 26 2 14 23 1 15 17 1 15 27 1 16 19 1 16 29 1 17 33 1 18 21 1 18 33 1 19 35 1 20 22 1 20 34 1 21 37 1 22 36 1 30 23 -2 24 26 1 29 24 -1 31 25 -1 40 25 -1 27 28 1 28 38 1 29 32 1 30 31 1 30 39 1 31 40 1 32 34 1 33 38 1 34 35 1 35 39 1 36 37 1 36 39 1 37 40 1 38 40 1', '40 45 H 14.89 -15.00 H 19.89 -10.77 H 16.15 -12.83 C 8.77 -14.83 C 21.11 -6.21 C 18.68 -7.61 C 14.47 -15.98 C 12.68 -16.03 C 21.16 -9.06 C 14.89 -11.18 C 17.39 -11.18 C 18.64 -13.34 O 9.95 -12.72 O 14.98 -8.37 C 22.32 -8.32 C 12.40 -12.61 C 22.32 -9.72 C 21.16 -11.89 C 13.64 -11.89 C 16.15 -14.79 C 19.89 -12.61 C 17.39 -14.08 O 14.93 -9.77 O 11.20 -14.79 O 18.64 -9.06 C 9.97 -14.12 C 21.11 -7.61 C 19.89 -8.32 C 12.40 -14.08 C 16.15 -10.46 C 17.39 -9.72 C 13.64 -14.79 C 21.16 -10.46 C 14.89 -14.08 C 14.89 -12.61 C 17.39 -12.61 C 18.64 -11.89 C 19.89 -9.72 C 16.15 -11.89 C 18.64 -10.46 34 1 -2 38 2 -1 39 3 -2 4 26 1 27 5 -2 28 6 -1 32 7 -2 32 8 -1 33 9 -1 35 10 -1 36 11 -1 37 12 -2 13 26 2 14 23 1 15 17 1 15 27 1 16 19 1 16 29 1 17 33 1 18 21 1 18 33 1 19 35 1 20 22 1 20 34 1 21 37 1 22 36 1 30 23 -2 24 26 1 29 24 -1 31 25 -1 40 25 -1 27 28 1 28 38 1 29 32 1 30 31 1 30 39 1 31 40 1 32 34 1 33 38 1 34 35 1 35 39 1 36 37 1 36 39 1 37 40 1 38 40 1', '40 45 H 14.89 -15.00 H 19.89 -10.77 H 16.15 -12.83 C:21 8.77 -14.83 C:21 21.11 -6.21 C:18 18.68 -7.61 C:28 14.47 -15.98 C:16 12.68 -16.03 C:29 21.16 -9.06 C:17 14.89 -11.18 C:22 17.39 -11.18 C:19 18.64 -13.34 O 9.95 -12.72 O 14.98 -8.37 C:31 22.32 -8.32 C:24 12.40 -12.61 C:42 22.32 -9.72 C:28 21.16 -11.89 C:38 13.64 -11.89 C:18 16.15 -14.79 C:25 19.89 -12.61 C:34 17.39 -14.08 O 14.93 -9.77 O 11.20 -14.79 O 18.64 -9.06 C:171 9.97 -14.12 C:40 21.11 -7.61 C:39 19.89 -8.32 C:81 12.40 -14.08 C:80 16.15 -10.46 C:57 17.39 -9.72 C:38 13.64 -14.79 C:35 21.16 -10.46 C:55 14.89 -14.08 C:38 14.89 -12.61 C:41 17.39 -12.61 C:41 18.64 -11.89 C:58 19.89 -9.72 C:51 16.15 -11.89 C:65 18.64 -10.46 34 1 -2 38 2 -1 39 3 -2 4 26 1 27 5 -2 28 6 -1 32 7 -2 32 8 -1 33 9 -1 35 10 -1 36 11 -1 37 12 -2 13 26 2 14 23 1 15 17 1 15 27 1 16 19 1 16 29 1 17 33 1 18 21 1 18 33 1 19 35 1 20 22 1 20 34 1 21 37 1 22 36 1 30 23 -2 24 26 1 29 24 -1 31 25 -1 40 25 -1 27 28 1 28 38 1 29 32 1 30 31 1 30 39 1 31 40 1 32 34 1 33 38 1 34 35 1 35 39 1 36 37 1 36 39 1 37 40 1 38 40 1', 'C32H52O5', 516.363, 'C', 'np01_436_1', 393, '', '', '1', 1, NULL, NULL),
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(5713, 'Pyrocincholic acid 3beta-O-alpha-L-rhamnopyranoside', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C:14]3=[C:13]2[CH2:12][CH2:11][C@@:9]6([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O[C@@H:101]4O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]4O)[CH2:2][CH2:1][C@@:10]56[CH3:25]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)O)CCC3=C2CC[C@@]6([H])[C@@]3(C)CC[C@@]5([H])[C@](C)(C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@@]56C', '[H][C@@:40]12[CH2:42][C@@:31]([CH3:33])([CH3:25])[CH2:35][CH2:32][C@:45]1([C:180](=O)O)[CH2:25][CH2:21][C:137]3=[C:131]2[CH2:32][CH2:18][C@@:56]6([H])[C@@:38]3([CH3:21])[CH2:40][CH2:19][C@@:55]5([H])[C@:39]([CH3:17])([CH3:28])[C@@H:89](O[C@@H:105]4O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:73]4O)[CH2:26][CH2:38][C@@:37]56[CH3:17]', '45 50 H 20.42 -10.91 H 15.44 -15.00 H 16.75 -12.75 C:106 9.38 -10.39 C:29 22.47 -6.31 C:30 20.85 -6.30 C:24 13.45 -15.81 C:23 14.94 -15.86 C:26 17.98 -11.04 C:25 15.44 -11.04 O 22.96 -12.40 O 24.07 -10.30 O 6.96 -11.79 O 6.96 -14.59 O 9.38 -15.99 C:12 17.97 -9.63 C:15 20.42 -12.46 C:2 13.02 -12.46 C:11 16.72 -10.33 C:21 22.88 -8.20 C:16 21.65 -11.74 C:1 14.22 -11.74 C:6 16.72 -14.62 C:7 17.97 -13.91 C:22 22.88 -9.63 C:19 20.42 -8.20 O 10.59 -12.49 O 11.80 -14.59 C:28 22.96 -11.01 C:13 19.20 -10.33 C:14 19.20 -11.74 C:105 9.38 -11.79 C:104 8.17 -12.49 C:103 8.17 -13.89 C:102 9.38 -14.59 C:101 10.59 -13.89 C:3 13.02 -13.91 C:20 21.65 -7.47 C:4 14.22 -14.62 C:18 20.42 -9.63 C:5 15.44 -13.91 C:9 16.72 -11.74 C:8 17.97 -12.46 C:10 15.44 -12.46 C:17 21.65 -10.33 40 1 -1 41 2 -2 42 3 -2 32 4 -2 38 5 -2 38 6 -1 39 7 -1 39 8 -2 43 9 -1 44 10 -1 11 29 2 12 29 1 33 13 -1 34 14 -2 35 15 -2 16 19 1 16 30 1 17 21 1 17 31 1 18 22 1 18 37 1 19 42 1 20 25 1 20 38 1 21 45 1 22 44 1 23 24 1 23 41 1 24 43 1 25 45 1 26 38 1 26 40 1 27 32 1 27 36 1 36 28 -1 37 28 -1 45 29 -1 30 31 2 30 40 1 31 43 1 32 33 1 33 34 1 34 35 1 35 36 1 37 39 1 39 41 1 40 45 1 41 44 1 42 43 1 42 44 1', '45 50 H 20.42 -10.91 H 15.44 -15.00 H 16.75 -12.75 C 9.38 -10.39 C 22.47 -6.31 C 20.85 -6.30 C 13.45 -15.81 C 14.94 -15.86 C 17.98 -11.04 C 15.44 -11.04 O 22.96 -12.40 O 24.07 -10.30 O 6.96 -11.79 O 6.96 -14.59 O 9.38 -15.99 C 17.97 -9.63 C 20.42 -12.46 C 13.02 -12.46 C 16.72 -10.33 C 22.88 -8.20 C 21.65 -11.74 C 14.22 -11.74 C 16.72 -14.62 C 17.97 -13.91 C 22.88 -9.63 C 20.42 -8.20 O 10.59 -12.49 O 11.80 -14.59 C 22.96 -11.01 C 19.20 -10.33 C 19.20 -11.74 C 9.38 -11.79 C 8.17 -12.49 C 8.17 -13.89 C 9.38 -14.59 C 10.59 -13.89 C 13.02 -13.91 C 21.65 -7.47 C 14.22 -14.62 C 20.42 -9.63 C 15.44 -13.91 C 16.72 -11.74 C 17.97 -12.46 C 15.44 -12.46 C 21.65 -10.33 40 1 -1 41 2 -2 42 3 -2 32 4 -2 38 5 -2 38 6 -1 39 7 -1 39 8 -2 43 9 -1 44 10 -1 11 29 2 12 29 1 33 13 -1 34 14 -2 35 15 -2 16 19 1 16 30 1 17 21 1 17 31 1 18 22 1 18 37 1 19 42 1 20 25 1 20 38 1 21 45 1 22 44 1 23 24 1 23 41 1 24 43 1 25 45 1 26 38 1 26 40 1 27 32 1 27 36 1 36 28 -1 37 28 -1 45 29 -1 30 31 2 30 40 1 31 43 1 32 33 1 33 34 1 34 35 1 35 36 1 37 39 1 39 41 1 40 45 1 41 44 1 42 43 1 42 44 1', '45 50 H 20.42 -10.91 H 15.44 -15.00 H 16.75 -12.75 C:19 9.38 -10.39 C:33 22.47 -6.31 C:25 20.85 -6.30 C:17 13.45 -15.81 C:28 14.94 -15.86 C:21 17.98 -11.04 C:17 15.44 -11.04 O 22.96 -12.40 O 24.07 -10.30 O 6.96 -11.79 O 6.96 -14.59 O 9.38 -15.99 C:32 17.97 -9.63 C:21 20.42 -12.46 C:26 13.02 -12.46 C:18 16.72 -10.33 C:35 22.88 -8.20 C:25 21.65 -11.74 C:38 14.22 -11.74 C:19 16.72 -14.62 C:40 17.97 -13.91 C:32 22.88 -9.63 C:42 20.42 -8.20 O 10.59 -12.49 O 11.80 -14.59 C:180 22.96 -11.01 C:131 19.20 -10.33 C:137 19.20 -11.74 C:70 9.38 -11.79 C:74 8.17 -12.49 C:73 8.17 -13.89 C:73 9.38 -14.59 C:105 10.59 -13.89 C:89 13.02 -13.91 C:31 21.65 -7.47 C:39 14.22 -14.62 C:40 20.42 -9.63 C:55 15.44 -13.91 C:56 16.72 -11.74 C:38 17.97 -12.46 C:37 15.44 -12.46 C:45 21.65 -10.33 40 1 -1 41 2 -2 42 3 -2 32 4 -2 38 5 -2 38 6 -1 39 7 -1 39 8 -2 43 9 -1 44 10 -1 11 29 2 12 29 1 33 13 -1 34 14 -2 35 15 -2 16 19 1 16 30 1 17 21 1 17 31 1 18 22 1 18 37 1 19 42 1 20 25 1 20 38 1 21 45 1 22 44 1 23 24 1 23 41 1 24 43 1 25 45 1 26 38 1 26 40 1 27 32 1 27 36 1 36 28 -1 37 28 -1 45 29 -1 30 31 2 30 40 1 31 43 1 32 33 1 33 34 1 34 35 1 35 36 1 37 39 1 39 41 1 40 45 1 41 44 1 42 43 1 42 44 1', 'C35H56O7', 588.394, 'P', 'np96_304_6', 614, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(5735, 'Nootkatone', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH2:13]=[C:11]([CH3:12])[C@@H:7]2[CH2:8][CH2:9][C:10]1=[CH:1][C:2](=O)[CH2:3][C@@H:4]([CH3:15])[C@:5]1([CH3:14])[CH2:6]2', 'C=C(C)[C@@H]2CCC1=CC(=O)C[C@@H](C)[C@]1(C)C2', '[CH2:109]=[C:149]([CH3:21])[C@@H:40]2[CH2:32][CH2:33][C:170]1=[CH:125][C:200](=O)[CH2:42][C@@H:40]([CH3:15])[C@:39]1([CH3:17])[CH2:44]2', '16 17 C:13 18.00 -13.49 C:12 19.23 -11.36 C:15 13.09 -13.49 C:14 14.35 -12.78 O 10.65 -9.23 C:1 13.09 -9.24 C:9 15.55 -9.24 C:8 16.77 -9.94 C:3 11.86 -11.36 C:6 15.55 -12.07 C:11 18.00 -12.07 C:2 11.86 -9.94 C:10 14.32 -9.94 C:4 13.09 -12.07 C:7 16.77 -11.36 C:5 14.32 -11.36 1 11 2 2 11 1 14 3 -2 16 4 -2 5 12 2 6 12 1 6 13 2 7 8 1 7 13 1 8 15 1 9 12 1 9 14 1 10 15 1 10 16 1 15 11 -1 13 16 1 14 16 1', '16 17 C 18.00 -13.49 C 19.23 -11.36 C 13.09 -13.49 C 14.35 -12.78 O 10.65 -9.23 C 13.09 -9.24 C 15.55 -9.24 C 16.77 -9.94 C 11.86 -11.36 C 15.55 -12.07 C 18.00 -12.07 C 11.86 -9.94 C 14.32 -9.94 C 13.09 -12.07 C 16.77 -11.36 C 14.32 -11.36 1 11 2 2 11 1 14 3 -2 16 4 -2 5 12 2 6 12 1 6 13 2 7 8 1 7 13 1 8 15 1 9 12 1 9 14 1 10 15 1 10 16 1 15 11 -1 13 16 1 14 16 1', '16 17 C:109 18.00 -13.49 C:21 19.23 -11.36 C:15 13.09 -13.49 C:17 14.35 -12.78 O 10.65 -9.23 C:125 13.09 -9.24 C:33 15.55 -9.24 C:32 16.77 -9.94 C:42 11.86 -11.36 C:44 15.55 -12.07 C:149 18.00 -12.07 C:200 11.86 -9.94 C:170 14.32 -9.94 C:40 13.09 -12.07 C:40 16.77 -11.36 C:39 14.32 -11.36 1 11 2 2 11 1 14 3 -2 16 4 -2 5 12 2 6 12 1 6 13 2 7 8 1 7 13 1 8 15 1 9 12 1 9 14 1 10 15 1 10 16 1 15 11 -1 13 16 1 14 16 1', 'C15H22O', 218.16, 'C', 'cpb05_1423_1', 817, 'Permutados los desplazamientos 15-14', '', '1', 1, 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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(5758, '3beta-Methylbutyryloxyeuryopsin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:13][c:11]2[cH:12]o[c:8]3[CH2:9][C:10]1=[CH:1][CH2:2][C@H:3](O[C:3001](=O)[CH2:3002][CH:3003]([CH3:3004])[CH3:3005])[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][c:7]23', 'Cc2coc3CC1=CC[C@H](OC(=O)CC(C)C)[C@H](C)[C@@]1(C)Cc23', '[CH3:8][c:120]2[cH:137]o[c:148]3[CH2:36][C:138]1=[CH:118][CH2:31][C@H:70](O[C:177](=O)[CH2:41][CH:26]([CH3:16])[CH3:12])[C@H:41]([CH3:10])[C@@:30]1([CH3:20])[CH2:28][c:117]23', '23 25 C:13 21.72 -12.92 C:3004 9.06 -11.87 C:3005 10.27 -9.77 C:15 16.33 -13.25 C:14 17.56 -12.56 O 12.69 -9.76 C:1 16.33 -9.05 C:12 22.12 -10.45 C:2 15.11 -9.74 C:9 18.75 -9.05 C:3002 11.49 -11.86 C:6 18.75 -11.86 O 13.91 -11.85 O 21.29 -9.33 C:3001 12.70 -11.16 C:10 17.54 -9.74 C:11 21.29 -11.58 C:8 19.98 -9.74 C:7 19.98 -11.15 C:3003 10.27 -11.17 C:4 16.33 -11.86 C:3 15.11 -11.15 C:5 17.54 -11.15 1 17 1 2 20 1 3 20 1 21 4 -1 23 5 -1 6 15 2 7 9 1 7 16 2 8 14 1 8 17 2 9 22 1 10 16 1 10 18 1 11 15 1 11 20 1 12 19 1 12 23 1 13 15 1 22 13 -1 14 18 1 16 23 1 17 19 1 18 19 2 21 22 1 21 23 1', '23 25 C 21.72 -12.92 C 9.06 -11.87 C 10.27 -9.77 C 16.33 -13.25 C 17.56 -12.56 O 12.69 -9.76 C 16.33 -9.05 C 22.12 -10.45 C 15.11 -9.74 C 18.75 -9.05 C 11.49 -11.86 C 18.75 -11.86 O 13.91 -11.85 O 21.29 -9.33 C 12.70 -11.16 C 17.54 -9.74 C 21.29 -11.58 C 19.98 -9.74 C 19.98 -11.15 C 10.27 -11.17 C 16.33 -11.86 C 15.11 -11.15 C 17.54 -11.15 1 17 1 2 20 1 3 20 1 21 4 -1 23 5 -1 6 15 2 7 9 1 7 16 2 8 14 1 8 17 2 9 22 1 10 16 1 10 18 1 11 15 1 11 20 1 12 19 1 12 23 1 13 15 1 22 13 -1 14 18 1 16 23 1 17 19 1 18 19 2 21 22 1 21 23 1', '23 25 C:8 21.72 -12.92 C:16 9.06 -11.87 C:12 10.27 -9.77 C:10 16.33 -13.25 C:20 17.56 -12.56 O 12.69 -9.76 C:118 16.33 -9.05 C:137 22.12 -10.45 C:31 15.11 -9.74 C:36 18.75 -9.05 C:41 11.49 -11.86 C:28 18.75 -11.86 O 13.91 -11.85 O 21.29 -9.33 C:177 12.70 -11.16 C:138 17.54 -9.74 C:120 21.29 -11.58 C:148 19.98 -9.74 C:117 19.98 -11.15 C:26 10.27 -11.17 C:41 16.33 -11.86 C:70 15.11 -11.15 C:30 17.54 -11.15 1 17 1 2 20 1 3 20 1 21 4 -1 23 5 -1 6 15 2 7 9 1 7 16 2 8 14 1 8 17 2 9 22 1 10 16 1 10 18 1 11 15 1 11 20 1 12 19 1 12 23 1 13 15 1 22 13 -1 14 18 1 16 23 1 17 19 1 18 19 2 21 22 1 21 23 1', 'C20H28O3', 316.212, 'C', 'ph52_1507_1a', 2294, '', '', '1', 1, NULL, NULL),
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(5760, '3beta-Senecioyloxyeuryopsin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:3004][C:3003]([CH3:3005])=[CH:3002][C:3001](=O)O[C@H:3]3[CH2:2][CH:1]=[C:10]2[CH2:9][c:8]1o[cH:12][c:11]([CH3:13])[c:7]1[CH2:6][C@:5]2([CH3:14])[C@H:4]3[CH3:15]', 'CC(C)=CC(=O)O[C@H]3CC=C2Cc1occ(C)c1C[C@]2(C)[C@H]3C', '[CH3:27][C:116]([CH3:21])=[CH:156][C:166](=O)O[C@H:70]3[CH2:31][CH:118]=[C:138]2[CH2:36][c:148]1o[cH:137][c:120]([CH3:8])[c:117]1[CH2:28][C@:30]2([CH3:20])[C@H:41]3[CH3:10]', '23 25 C:3004 9.06 -11.87 C:3005 10.27 -9.77 C:13 21.72 -12.92 C:15 16.33 -13.25 C:14 17.56 -12.56 O 12.69 -9.76 C:1 16.33 -9.05 C:3002 11.49 -11.86 C:12 22.12 -10.45 C:2 15.11 -9.74 C:9 18.75 -9.05 C:6 18.75 -11.86 O 13.91 -11.85 O 21.29 -9.33 C:3003 10.27 -11.17 C:3001 12.70 -11.16 C:10 17.54 -9.74 C:11 21.29 -11.58 C:8 19.98 -9.74 C:7 19.98 -11.15 C:4 16.33 -11.86 C:3 15.11 -11.15 C:5 17.54 -11.15 1 15 1 2 15 1 3 18 1 21 4 -1 23 5 -1 6 16 2 7 10 1 7 17 2 8 15 2 8 16 1 9 14 1 9 18 2 10 22 1 11 17 1 11 19 1 12 20 1 12 23 1 13 16 1 22 13 -1 14 19 1 17 23 1 18 20 1 19 20 2 21 22 1 21 23 1', '23 25 C 9.06 -11.87 C 10.27 -9.77 C 21.72 -12.92 C 16.33 -13.25 C 17.56 -12.56 O 12.69 -9.76 C 16.33 -9.05 C 11.49 -11.86 C 22.12 -10.45 C 15.11 -9.74 C 18.75 -9.05 C 18.75 -11.86 O 13.91 -11.85 O 21.29 -9.33 C 10.27 -11.17 C 12.70 -11.16 C 17.54 -9.74 C 21.29 -11.58 C 19.98 -9.74 C 19.98 -11.15 C 16.33 -11.86 C 15.11 -11.15 C 17.54 -11.15 1 15 1 2 15 1 3 18 1 21 4 -1 23 5 -1 6 16 2 7 10 1 7 17 2 8 15 2 8 16 1 9 14 1 9 18 2 10 22 1 11 17 1 11 19 1 12 20 1 12 23 1 13 16 1 22 13 -1 14 19 1 17 23 1 18 20 1 19 20 2 21 22 1 21 23 1', '23 25 C:27 9.06 -11.87 C:21 10.27 -9.77 C:8 21.72 -12.92 C:10 16.33 -13.25 C:20 17.56 -12.56 O 12.69 -9.76 C:118 16.33 -9.05 C:156 11.49 -11.86 C:137 22.12 -10.45 C:31 15.11 -9.74 C:36 18.75 -9.05 C:28 18.75 -11.86 O 13.91 -11.85 O 21.29 -9.33 C:116 10.27 -11.17 C:166 12.70 -11.16 C:138 17.54 -9.74 C:120 21.29 -11.58 C:148 19.98 -9.74 C:117 19.98 -11.15 C:41 16.33 -11.86 C:70 15.11 -11.15 C:30 17.54 -11.15 1 15 1 2 15 1 3 18 1 21 4 -1 23 5 -1 6 16 2 7 10 1 7 17 2 8 15 2 8 16 1 9 14 1 9 18 2 10 22 1 11 17 1 11 19 1 12 20 1 12 23 1 13 16 1 22 13 -1 14 19 1 17 23 1 18 20 1 19 20 2 21 22 1 21 23 1', 'C20H26O3', 314.212, 'C', 'ph52_1507_1c', 2294, '', '', '1', 1, NULL, NULL),
(5761, '3b-Hydroxyeuryopsin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:13][c:11]2[cH:12]o[c:8]3[CH2:9][C:10]1=[CH:1][CH2:2][C@H:3](O)[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][c:7]23', 'Cc2coc3CC1=CC[C@H](O)[C@H](C)[C@@]1(C)Cc23', '[CH3:88][c:120]2[cH:137]o[c:148]3[CH2:36][C:138]1=[CH:119][CH2:32][C@H:69](O)[C@H:43]([CH3:10])[C@@:39]1([CH3:21])[CH2:31][c:117]23', '17 19 C:13 18.73 -13.09 C:15 13.27 -13.43 C:14 14.52 -12.72 O 10.83 -12.00 C:1 13.27 -9.17 C:12 19.13 -10.59 C:2 12.04 -9.88 C:9 15.72 -9.17 C:6 15.72 -12.01 O 18.29 -9.45 C:10 14.50 -9.88 C:11 18.29 -11.73 C:8 16.95 -9.88 C:7 16.95 -11.30 C:3 12.04 -11.30 C:4 13.27 -12.01 C:5 14.50 -11.30 1 12 1 16 2 -1 17 3 -1 15 4 -1 5 7 1 5 11 2 6 10 1 6 12 2 7 15 1 8 11 1 8 13 1 9 14 1 9 17 1 10 13 1 11 17 1 12 14 1 13 14 2 15 16 1 16 17 1', '17 19 C 18.73 -13.09 C 13.27 -13.43 C 14.52 -12.72 O 10.83 -12.00 C 13.27 -9.17 C 19.13 -10.59 C 12.04 -9.88 C 15.72 -9.17 C 15.72 -12.01 O 18.29 -9.45 C 14.50 -9.88 C 18.29 -11.73 C 16.95 -9.88 C 16.95 -11.30 C 12.04 -11.30 C 13.27 -12.01 C 14.50 -11.30 1 12 1 16 2 -1 17 3 -1 15 4 -1 5 7 1 5 11 2 6 10 1 6 12 2 7 15 1 8 11 1 8 13 1 9 14 1 9 17 1 10 13 1 11 17 1 12 14 1 13 14 2 15 16 1 16 17 1', '17 19 C:8 18.73 -13.09 C:10 13.27 -13.43 C:21 14.52 -12.72 O 10.83 -12.00 C:119 13.27 -9.17 C:137 19.13 -10.59 C:32 12.04 -9.88 C:36 15.72 -9.17 C:31 15.72 -12.01 O 18.29 -9.45 C:138 14.50 -9.88 C:120 18.29 -11.73 C:148 16.95 -9.88 C:117 16.95 -11.30 C:69 12.04 -11.30 C:43 13.27 -12.01 C:39 14.50 -11.30 1 12 1 16 2 -1 17 3 -1 15 4 -1 5 7 1 5 11 2 6 10 1 6 12 2 7 15 1 8 11 1 8 13 1 9 14 1 9 17 1 10 13 1 11 17 1 12 14 1 13 14 2 15 16 1 16 17 1', 'C15H20O2', 232.159, 'C', 'ph52_1507_1d', 2294, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(5762, 'Euryopsin-3-one', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:13][c:11]2[cH:12]o[c:8]3[CH2:9][C:10]1=[CH:1][CH2:2][C:3](=O)[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][c:7]23', 'Cc2coc3CC1=CCC(=O)[C@H](C)[C@@]1(C)Cc23', '[CH3:88][c:120]2[cH:138]o[c:148]3[CH2:35][C:139]1=[CH:119][CH2:40][C:211](=O)[C@H:54]([CH3:8])[C@@:44]1([CH3:20])[CH2:29][c:118]23', '17 19 C:13 18.73 -13.09 C:15 13.27 -13.43 C:14 14.52 -12.72 O 10.83 -12.00 C:1 13.27 -9.17 C:12 19.13 -10.59 C:2 12.04 -9.88 C:9 15.72 -9.17 C:6 15.72 -12.01 O 18.29 -9.45 C:3 12.04 -11.30 C:10 14.50 -9.88 C:11 18.29 -11.73 C:8 16.95 -9.88 C:7 16.95 -11.30 C:4 13.27 -12.01 C:5 14.50 -11.30 1 13 1 16 2 -1 17 3 -1 4 11 2 5 7 1 5 12 2 6 10 1 6 13 2 7 11 1 8 12 1 8 14 1 9 15 1 9 17 1 10 14 1 11 16 1 12 17 1 13 15 1 14 15 2 16 17 1', '17 19 C 18.73 -13.09 C 13.27 -13.43 C 14.52 -12.72 O 10.83 -12.00 C 13.27 -9.17 C 19.13 -10.59 C 12.04 -9.88 C 15.72 -9.17 C 15.72 -12.01 O 18.29 -9.45 C 12.04 -11.30 C 14.50 -9.88 C 18.29 -11.73 C 16.95 -9.88 C 16.95 -11.30 C 13.27 -12.01 C 14.50 -11.30 1 13 1 16 2 -1 17 3 -1 4 11 2 5 7 1 5 12 2 6 10 1 6 13 2 7 11 1 8 12 1 8 14 1 9 15 1 9 17 1 10 14 1 11 16 1 12 17 1 13 15 1 14 15 2 16 17 1', '17 19 C:8 18.73 -13.09 C:8 13.27 -13.43 C:20 14.52 -12.72 O 10.83 -12.00 C:119 13.27 -9.17 C:138 19.13 -10.59 C:40 12.04 -9.88 C:35 15.72 -9.17 C:29 15.72 -12.01 O 18.29 -9.45 C:211 12.04 -11.30 C:139 14.50 -9.88 C:120 18.29 -11.73 C:148 16.95 -9.88 C:118 16.95 -11.30 C:54 13.27 -12.01 C:44 14.50 -11.30 1 13 1 16 2 -1 17 3 -1 4 11 2 5 7 1 5 12 2 6 10 1 6 13 2 7 11 1 8 12 1 8 14 1 9 15 1 9 17 1 10 14 1 11 16 1 12 17 1 13 15 1 14 15 2 16 17 1', 'C15H18O2', 230.159, 'C', 'ph52_1507_2', 2294, '', '', '1', 1, NULL, NULL),
(5763, 'Furanoligularenone', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]13[CH:1]=[CH:2][C:3](=O)[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][c:7]2[c:11]([CH3:13])[cH:12]o[c:8]2[CH2:9]3', '[H][C@@]13C=CC(=O)[C@H](C)[C@@]1(C)Cc2c(C)coc2C3', '[H][C@@:43]13[CH:150]=[CH:129][C:201](=O)[C@H:53]([CH3:7])[C@@:41]1([CH3:11])[CH2:26][c:117]2[c:120]([CH3:88])[cH:138]o[c:148]2[CH2:34]3', '18 20 H 14.50 -8.80 C:13 18.73 -13.09 C:15 13.27 -13.43 C:14 14.52 -12.72 O 10.83 -12.00 C:2 12.04 -9.88 C:1 13.27 -9.17 C:12 19.13 -10.59 C:9 15.72 -9.17 C:6 15.72 -12.01 O 18.29 -9.45 C:3 12.04 -11.30 C:11 18.29 -11.73 C:8 16.95 -9.88 C:7 16.95 -11.30 C:4 13.27 -12.01 C:10 14.50 -9.88 C:5 14.50 -11.30 17 1 -2 2 13 1 16 3 -1 18 4 -1 5 12 2 6 7 2 6 12 1 7 17 1 8 11 1 8 13 2 9 14 1 9 17 1 10 15 1 10 18 1 11 14 1 12 16 1 13 15 1 14 15 2 16 18 1 17 18 1', '18 20 H 14.50 -8.80 C 18.73 -13.09 C 13.27 -13.43 C 14.52 -12.72 O 10.83 -12.00 C 12.04 -9.88 C 13.27 -9.17 C 19.13 -10.59 C 15.72 -9.17 C 15.72 -12.01 O 18.29 -9.45 C 12.04 -11.30 C 18.29 -11.73 C 16.95 -9.88 C 16.95 -11.30 C 13.27 -12.01 C 14.50 -9.88 C 14.50 -11.30 17 1 -2 2 13 1 16 3 -1 18 4 -1 5 12 2 6 7 2 6 12 1 7 17 1 8 11 1 8 13 2 9 14 1 9 17 1 10 15 1 10 18 1 11 14 1 12 16 1 13 15 1 14 15 2 16 18 1 17 18 1', '18 20 H 14.50 -8.80 C:8 18.73 -13.09 C:7 13.27 -13.43 C:11 14.52 -12.72 O 10.83 -12.00 C:129 12.04 -9.88 C:150 13.27 -9.17 C:138 19.13 -10.59 C:34 15.72 -9.17 C:26 15.72 -12.01 O 18.29 -9.45 C:201 12.04 -11.30 C:120 18.29 -11.73 C:148 16.95 -9.88 C:117 16.95 -11.30 C:53 13.27 -12.01 C:43 14.50 -9.88 C:41 14.50 -11.30 17 1 -2 2 13 1 16 3 -1 18 4 -1 5 12 2 6 7 2 6 12 1 7 17 1 8 11 1 8 13 2 9 14 1 9 17 1 10 15 1 10 18 1 11 14 1 12 16 1 13 15 1 14 15 2 16 18 1 17 18 1', 'C15H18O2', 230.167, 'C', 'ph52_1507_3', 2294, '', '', '1', 1, NULL, NULL),
(5764, '', '3-Oxo-8a,12a-dimethoxy-8,12-dihydro-10aH-furanoeremophil-1-ene', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]13[CH:1]=[CH:2][C:3](=O)[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][C:7]2=[C:11]([CH3:13])[C@@H:12](O[CH3:12001])O[C@:8]2(O[CH3:8001])[CH2:9]3', '[H][C@@]13C=CC(=O)[C@H](C)[C@@]1(C)CC2=C(C)[C@@H](OC)O[C@]2(OC)C3', '[H][C@@:54]13[CH:151]=[CH:129][C:201](=O)[C@H:44]([CH3:7])[C@@:43]1([CH3:11])[CH2:35][C:133]2=[C:132]([CH3:9])[C@@H:110](O[CH3:56])O[C@:112]2(O[CH3:49])[CH2:39]3', '22 24 H 14.02 -9.34 C:12001 20.76 -12.34 C:8001 17.69 -8.32 C:13 18.26 -13.63 C:15 12.79 -13.97 C:14 14.04 -13.26 O 10.35 -12.54 C:2 11.56 -10.42 C:1 12.79 -9.71 C:6 15.24 -12.55 C:9 15.24 -9.71 O 20.06 -11.13 O 16.47 -9.02 O 17.82 -9.99 C:3 11.56 -11.84 C:11 17.82 -12.27 C:7 16.47 -11.84 C:4 12.79 -12.55 C:12 18.66 -11.13 C:10 14.02 -10.42 C:5 14.02 -11.84 C:8 16.47 -10.42 20 1 -2 2 12 1 3 13 1 4 16 1 18 5 -1 21 6 -1 7 15 2 8 9 2 8 15 1 9 20 1 10 17 1 10 21 1 11 20 1 11 22 1 19 12 -2 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 2 16 19 1 17 22 1 18 21 1 20 21 1', '22 24 H 14.02 -9.34 C 20.76 -12.34 C 17.69 -8.32 C 18.26 -13.63 C 12.79 -13.97 C 14.04 -13.26 O 10.35 -12.54 C 11.56 -10.42 C 12.79 -9.71 C 15.24 -12.55 C 15.24 -9.71 O 20.06 -11.13 O 16.47 -9.02 O 17.82 -9.99 C 11.56 -11.84 C 17.82 -12.27 C 16.47 -11.84 C 12.79 -12.55 C 18.66 -11.13 C 14.02 -10.42 C 14.02 -11.84 C 16.47 -10.42 20 1 -2 2 12 1 3 13 1 4 16 1 18 5 -1 21 6 -1 7 15 2 8 9 2 8 15 1 9 20 1 10 17 1 10 21 1 11 20 1 11 22 1 19 12 -2 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 2 16 19 1 17 22 1 18 21 1 20 21 1', '22 24 H 14.02 -9.34 C:56 20.76 -12.34 C:49 17.69 -8.32 C:9 18.26 -13.63 C:7 12.79 -13.97 C:11 14.04 -13.26 O 10.35 -12.54 C:129 11.56 -10.42 C:151 12.79 -9.71 C:35 15.24 -12.55 C:39 15.24 -9.71 O 20.06 -11.13 O 16.47 -9.02 O 17.82 -9.99 C:201 11.56 -11.84 C:132 17.82 -12.27 C:133 16.47 -11.84 C:44 12.79 -12.55 C:110 18.66 -11.13 C:54 14.02 -10.42 C:43 14.02 -11.84 C:112 16.47 -10.42 20 1 -2 2 12 1 3 13 1 4 16 1 18 5 -1 21 6 -1 7 15 2 8 9 2 8 15 1 9 20 1 10 17 1 10 21 1 11 20 1 11 22 1 19 12 -2 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 2 16 19 1 17 22 1 18 21 1 20 21 1', 'C17H24O4', 292.187, 'C', 'ph52_1507_4a', 2294, '', '', '1', 1, NULL, NULL),
(5765, '', '3-Oxo-8a,12a-dimethoxy-8,12-dihydro-10aH-furanoeremophil-1-ene', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]13[CH:1]=[CH:2][C:3](=O)[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][C:7]2=[C:11]([CH3:13])[C@H:12](O[CH3:12001])O[C@:8]2(O[CH3:8001])[CH2:9]3', '[H][C@@]13C=CC(=O)[C@H](C)[C@@]1(C)CC2=C(C)[C@H](OC)O[C@]2(OC)C3', '[H][C@@:54]13[CH:151]=[CH:129][C:201](=O)[C@H:44]([CH3:7])[C@@:43]1([CH3:11])[CH2:35][C:133]2=[C:132]([CH3:10])[C@H:109](O[CH3:56])O[C@:110]2(O[CH3:50])[CH2:40]3', '22 24 H 14.02 -9.34 C:12001 20.76 -12.34 C:8001 17.69 -8.32 C:13 18.26 -13.63 C:15 12.79 -13.97 C:14 14.04 -13.26 O 10.35 -12.54 C:2 11.56 -10.42 C:1 12.79 -9.71 C:6 15.24 -12.55 C:9 15.24 -9.71 O 20.06 -11.13 O 16.47 -9.02 O 17.82 -9.99 C:3 11.56 -11.84 C:11 17.82 -12.27 C:7 16.47 -11.84 C:4 12.79 -12.55 C:12 18.66 -11.13 C:10 14.02 -10.42 C:5 14.02 -11.84 C:8 16.47 -10.42 20 1 -2 2 12 1 3 13 1 4 16 1 18 5 -1 21 6 -1 7 15 2 8 9 2 8 15 1 9 20 1 10 17 1 10 21 1 11 20 1 11 22 1 19 12 -1 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 2 16 19 1 17 22 1 18 21 1 20 21 1', '22 24 H 14.02 -9.34 C 20.76 -12.34 C 17.69 -8.32 C 18.26 -13.63 C 12.79 -13.97 C 14.04 -13.26 O 10.35 -12.54 C 11.56 -10.42 C 12.79 -9.71 C 15.24 -12.55 C 15.24 -9.71 O 20.06 -11.13 O 16.47 -9.02 O 17.82 -9.99 C 11.56 -11.84 C 17.82 -12.27 C 16.47 -11.84 C 12.79 -12.55 C 18.66 -11.13 C 14.02 -10.42 C 14.02 -11.84 C 16.47 -10.42 20 1 -2 2 12 1 3 13 1 4 16 1 18 5 -1 21 6 -1 7 15 2 8 9 2 8 15 1 9 20 1 10 17 1 10 21 1 11 20 1 11 22 1 19 12 -1 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 2 16 19 1 17 22 1 18 21 1 20 21 1', '22 24 H 14.02 -9.34 C:56 20.76 -12.34 C:50 17.69 -8.32 C:10 18.26 -13.63 C:7 12.79 -13.97 C:11 14.04 -13.26 O 10.35 -12.54 C:129 11.56 -10.42 C:151 12.79 -9.71 C:35 15.24 -12.55 C:40 15.24 -9.71 O 20.06 -11.13 O 16.47 -9.02 O 17.82 -9.99 C:201 11.56 -11.84 C:132 17.82 -12.27 C:133 16.47 -11.84 C:44 12.79 -12.55 C:109 18.66 -11.13 C:54 14.02 -10.42 C:43 14.02 -11.84 C:110 16.47 -10.42 20 1 -2 2 12 1 3 13 1 4 16 1 18 5 -1 21 6 -1 7 15 2 8 9 2 8 15 1 9 20 1 10 17 1 10 21 1 11 20 1 11 22 1 19 12 -1 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 2 16 19 1 17 22 1 18 21 1 20 21 1', 'C17H24O4', 292.187, 'C', 'ph52_1507_4b', 2294, '', '', '1', 1, NULL, NULL),
(5766, '', '3-Oxo-8a-methoxy-10aH-eremophila-1,7(11)-dien-12,8b-olide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@@:10]13[CH:1]=[CH:2][C:3](=O)[C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][C:7]2=[C:11]([CH3:13])[C:12](=O)O[C@:8]2(O[CH3:8001])[CH2:9]3', '[H][C@@]13C=CC(=O)[C@H](C)[C@@]1(C)CC2=C(C)C(=O)O[C@]2(OC)C3', '[H][C@@:54]13[CH:149]=[CH:129][C:200](=O)[C@H:43]([CH3:7])[C@@:44]1([CH3:11])[CH2:36][C:155]2=[C:127]([CH3:8])[C:171](=O)O[C@:105]2(O[CH3:50])[CH2:38]3', '21 23 H 14.41 -9.34 C:8001 18.08 -8.32 C:13 18.65 -13.63 C:15 13.18 -13.97 C:14 14.43 -13.26 O 10.74 -12.54 O 20.45 -11.13 C:2 11.95 -10.42 C:1 13.18 -9.71 C:6 15.63 -12.55 C:9 15.63 -9.71 O 16.86 -9.02 O 18.21 -9.99 C:3 11.95 -11.84 C:11 18.21 -12.27 C:12 19.05 -11.13 C:7 16.86 -11.84 C:4 13.18 -12.55 C:10 14.41 -10.42 C:5 14.41 -11.84 C:8 16.86 -10.42 19 1 -2 2 12 1 3 15 1 18 4 -1 20 5 -1 6 14 2 7 16 2 8 9 2 8 14 1 9 19 1 10 17 1 10 20 1 11 19 1 11 21 1 21 12 -2 13 16 1 13 21 1 14 18 1 15 16 1 15 17 2 17 21 1 18 20 1 19 20 1', '21 23 H 14.41 -9.34 C 18.08 -8.32 C 18.65 -13.63 C 13.18 -13.97 C 14.43 -13.26 O 10.74 -12.54 O 20.45 -11.13 C 11.95 -10.42 C 13.18 -9.71 C 15.63 -12.55 C 15.63 -9.71 O 16.86 -9.02 O 18.21 -9.99 C 11.95 -11.84 C 18.21 -12.27 C 19.05 -11.13 C 16.86 -11.84 C 13.18 -12.55 C 14.41 -10.42 C 14.41 -11.84 C 16.86 -10.42 19 1 -2 2 12 1 3 15 1 18 4 -1 20 5 -1 6 14 2 7 16 2 8 9 2 8 14 1 9 19 1 10 17 1 10 20 1 11 19 1 11 21 1 21 12 -2 13 16 1 13 21 1 14 18 1 15 16 1 15 17 2 17 21 1 18 20 1 19 20 1', '21 23 H 14.41 -9.34 C:50 18.08 -8.32 C:8 18.65 -13.63 C:7 13.18 -13.97 C:11 14.43 -13.26 O 10.74 -12.54 O 20.45 -11.13 C:129 11.95 -10.42 C:149 13.18 -9.71 C:36 15.63 -12.55 C:38 15.63 -9.71 O 16.86 -9.02 O 18.21 -9.99 C:200 11.95 -11.84 C:127 18.21 -12.27 C:171 19.05 -11.13 C:155 16.86 -11.84 C:43 13.18 -12.55 C:54 14.41 -10.42 C:44 14.41 -11.84 C:105 16.86 -10.42 19 1 -2 2 12 1 3 15 1 18 4 -1 20 5 -1 6 14 2 7 16 2 8 9 2 8 14 1 9 19 1 10 17 1 10 20 1 11 19 1 11 21 1 21 12 -2 13 16 1 13 21 1 14 18 1 15 16 1 15 17 2 17 21 1 18 20 1 19 20 1', 'C16H20O4', 276.177, 'C', 'ph52_1507_5', 2294, '', '', '1', 1, NULL, NULL),
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(5782, '', '3beta-Senecioyloxy-1beta,10beta-epoxy-8alpha-hydroxyeremophil-7(11)-en-8beta(12)-olide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:3004][C:3003]([CH3:3005])=[CH:3002][C:3001](=O)O[C@H:3]4[CH2:2][C@H:1]1O[C@:10]13[CH2:9][C@@:8]2(O)O[C:12](=O)[C:11]([CH3:13])=[C:7]2[CH2:6][C@:5]3([CH3:14])[C@H:4]4[CH3:15]', 'CC(C)=CC(=O)O[C@H]4C[C@H]1O[C@]13C[C@@]2(O)OC(=O)C(C)=C2C[C@]3(C)[C@H]4C', '[CH3:20][C:158]([CH3:20])=[CH:116][C:166](=O)O[C@H:68]4[CH2:27][C@H:61]1O[C@:62]13[CH2:39][C@@:103]2(O)O[C:172](=O)[C:125]([CH3:8])=[C:157]2[CH2:35][C@:40]3([CH3:25])[C@H:43]4[CH3:10]', '26 29 C:3004 8.34 -12.13 C:3005 9.57 -10.04 C:13 21.03 -13.24 C:15 15.63 -13.61 C:14 16.89 -12.91 O 11.98 -10.06 O 22.80 -10.79 O 19.28 -8.68 C:3002 10.77 -12.15 C:2 14.41 -10.08 C:6 18.08 -12.21 C:9 18.08 -9.40 O 13.19 -12.18 O 20.60 -9.66 O 16.84 -8.70 C:3003 9.56 -11.44 C:3001 11.98 -11.46 C:11 20.60 -11.92 C:12 21.42 -10.79 C:7 19.28 -11.49 C:4 15.63 -12.21 C:3 14.41 -11.49 C:1 15.63 -9.40 C:5 16.86 -11.49 C:8 19.28 -10.08 C:10 16.86 -10.08 1 16 1 2 16 1 3 18 1 21 4 -1 24 5 -1 6 17 2 7 19 2 25 8 -2 9 16 2 9 17 1 10 22 1 10 23 1 11 20 1 11 24 1 12 25 1 12 26 1 13 17 1 22 13 -1 14 19 1 14 25 1 23 15 -1 26 15 -1 18 19 1 18 20 2 20 25 1 21 22 1 21 24 1 23 26 1 24 26 1', '26 29 C 8.34 -12.13 C 9.57 -10.04 C 21.03 -13.24 C 15.63 -13.61 C 16.89 -12.91 O 11.98 -10.06 O 22.80 -10.79 O 19.28 -8.68 C 10.77 -12.15 C 14.41 -10.08 C 18.08 -12.21 C 18.08 -9.40 O 13.19 -12.18 O 20.60 -9.66 O 16.84 -8.70 C 9.56 -11.44 C 11.98 -11.46 C 20.60 -11.92 C 21.42 -10.79 C 19.28 -11.49 C 15.63 -12.21 C 14.41 -11.49 C 15.63 -9.40 C 16.86 -11.49 C 19.28 -10.08 C 16.86 -10.08 1 16 1 2 16 1 3 18 1 21 4 -1 24 5 -1 6 17 2 7 19 2 25 8 -2 9 16 2 9 17 1 10 22 1 10 23 1 11 20 1 11 24 1 12 25 1 12 26 1 13 17 1 22 13 -1 14 19 1 14 25 1 23 15 -1 26 15 -1 18 19 1 18 20 2 20 25 1 21 22 1 21 24 1 23 26 1 24 26 1', '26 29 C:20 8.34 -12.13 C:20 9.57 -10.04 C:8 21.03 -13.24 C:10 15.63 -13.61 C:25 16.89 -12.91 O 11.98 -10.06 O 22.80 -10.79 O 19.28 -8.68 C:116 10.77 -12.15 C:27 14.41 -10.08 C:35 18.08 -12.21 C:39 18.08 -9.40 O 13.19 -12.18 O 20.60 -9.66 O 16.84 -8.70 C:158 9.56 -11.44 C:166 11.98 -11.46 C:125 20.60 -11.92 C:172 21.42 -10.79 C:157 19.28 -11.49 C:43 15.63 -12.21 C:68 14.41 -11.49 C:61 15.63 -9.40 C:40 16.86 -11.49 C:103 19.28 -10.08 C:62 16.86 -10.08 1 16 1 2 16 1 3 18 1 21 4 -1 24 5 -1 6 17 2 7 19 2 25 8 -2 9 16 2 9 17 1 10 22 1 10 23 1 11 20 1 11 24 1 12 25 1 12 26 1 13 17 1 22 13 -1 14 19 1 14 25 1 23 15 -1 26 15 -1 18 19 1 18 20 2 20 25 1 21 22 1 21 24 1 23 26 1 24 26 1', 'C20H26O6', 362.21, 'C', 'np02_714_2', 2411, '', '', '1', 1, NULL, NULL),
(5783, '', '6beta-Angeloyloxy-8alpha-hydroxyeremophil-1(10),7(11)-dien-8beta(12)-olide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:6004][CH:6003]=[C:6002]([CH3:6005])[C:6001](=O)O[C@@H:6]3[C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@:8]1(O)[CH2:9][C:10]2=[CH:1][CH2:2][CH2:3][C@H:4]([CH3:15])[C@:5]23[CH3:14]', 'CC=C(C)C(=O)O[C@@H]3C1=C(C)C(=O)O[C@]1(O)CC2=CCC[C@H](C)[C@]23C', '[CH3:21][CH:144]=[C:126]([CH3:16])[C:166](=O)O[C@@H:70]3[C:156]1=[C:124]([CH3:14])[C:172](=O)O[C@:102]1(O)[CH2:37][C:142]2=[CH:130][CH2:24][CH2:28][C@H:45]([CH3:8])[C@:45]23[CH3:18]', '25 27 C:6004 18.74 -14.26 C:6005 15.11 -15.01 C:13 17.99 -11.86 C:15 12.63 -12.23 C:14 13.90 -11.51 O 17.49 -12.19 O 19.78 -9.40 O 16.25 -7.29 C:6003 17.54 -14.97 C:1 12.63 -8.00 C:2 11.40 -8.69 C:3 11.40 -10.10 C:9 15.06 -8.00 O 15.08 -12.22 O 17.56 -8.27 C:6002 16.31 -14.30 C:11 17.56 -10.52 C:6001 16.29 -12.91 C:12 18.38 -9.40 C:10 13.87 -8.69 C:7 16.25 -10.10 C:4 12.63 -10.81 C:6 15.06 -10.81 C:8 16.25 -8.69 C:5 13.87 -10.10 1 9 1 2 16 1 3 17 1 22 4 -1 25 5 -1 6 18 2 7 19 2 24 8 -2 9 16 2 10 11 1 10 20 2 11 12 1 12 22 1 13 20 1 13 24 1 14 18 1 23 14 -1 15 19 1 15 24 1 16 18 1 17 19 1 17 21 2 20 25 1 21 23 1 21 24 1 22 25 1 23 25 1', '25 27 C 18.74 -14.26 C 15.11 -15.01 C 17.99 -11.86 C 12.63 -12.23 C 13.90 -11.51 O 17.49 -12.19 O 19.78 -9.40 O 16.25 -7.29 C 17.54 -14.97 C 12.63 -8.00 C 11.40 -8.69 C 11.40 -10.10 C 15.06 -8.00 O 15.08 -12.22 O 17.56 -8.27 C 16.31 -14.30 C 17.56 -10.52 C 16.29 -12.91 C 18.38 -9.40 C 13.87 -8.69 C 16.25 -10.10 C 12.63 -10.81 C 15.06 -10.81 C 16.25 -8.69 C 13.87 -10.10 1 9 1 2 16 1 3 17 1 22 4 -1 25 5 -1 6 18 2 7 19 2 24 8 -2 9 16 2 10 11 1 10 20 2 11 12 1 12 22 1 13 20 1 13 24 1 14 18 1 23 14 -1 15 19 1 15 24 1 16 18 1 17 19 1 17 21 2 20 25 1 21 23 1 21 24 1 22 25 1 23 25 1', '25 27 C:21 18.74 -14.26 C:16 15.11 -15.01 C:14 17.99 -11.86 C:8 12.63 -12.23 C:18 13.90 -11.51 O 17.49 -12.19 O 19.78 -9.40 O 16.25 -7.29 C:144 17.54 -14.97 C:130 12.63 -8.00 C:24 11.40 -8.69 C:28 11.40 -10.10 C:37 15.06 -8.00 O 15.08 -12.22 O 17.56 -8.27 C:126 16.31 -14.30 C:124 17.56 -10.52 C:166 16.29 -12.91 C:172 18.38 -9.40 C:142 13.87 -8.69 C:156 16.25 -10.10 C:45 12.63 -10.81 C:70 15.06 -10.81 C:102 16.25 -8.69 C:45 13.87 -10.10 1 9 1 2 16 1 3 17 1 22 4 -1 25 5 -1 6 18 2 7 19 2 24 8 -2 9 16 2 10 11 1 10 20 2 11 12 1 12 22 1 13 20 1 13 24 1 14 18 1 23 14 -1 15 19 1 15 24 1 16 18 1 17 19 1 17 21 2 20 25 1 21 23 1 21 24 1 22 25 1 23 25 1', 'C20H26O5', 346.211, 'C', 'np02_714_3', 2411, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(5784, '', '1-Oxo-6beta-senecioyloxy-8alpha-hydroxyeremophil-7(11),9-(10)-dien-8Ç(12)-olide', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:6005][C:6003]([CH3:6004])=[CH:6002][C:6001](=O)O[C@@H:6]3[C:7]1=[C:11]([CH3:13])[C:12](=O)O[C@:8]1(O)[CH:9]=[C:10]2[C:1](=O)[CH2:2][CH2:3][C@H:4]([CH3:15])[C@:5]23[CH3:14]', 'CC(C)=CC(=O)O[C@@H]3C1=C(C)C(=O)O[C@]1(O)C=C2C(=O)CC[C@H](C)[C@]23C', '[CH3:21][C:161]([CH3:21])=[CH:115][C:167](=O)O[C@@H:71]3[C:154]1=[C:125]([CH3:9])[C:173](=O)O[C@:104]1(O)[CH:118]=[C:159]2[C:207](=O)[CH2:33][CH2:28][C@H:36]([CH3:9])[C@:51]23[CH3:17]', '26 28 C:6005 17.52 -16.04 C:6004 18.73 -13.93 C:13 17.98 -11.52 C:15 12.61 -11.89 C:14 13.86 -11.17 O 17.48 -11.85 O 12.58 -6.26 O 19.77 -9.07 O 16.24 -6.95 C:6002 16.30 -13.97 C:9 15.05 -7.66 C:2 11.39 -8.35 C:3 11.39 -9.77 O 15.07 -11.88 O 17.55 -7.93 C:6003 17.53 -14.64 C:6001 16.28 -12.57 C:1 12.61 -7.66 C:11 17.55 -10.18 C:12 18.37 -9.07 C:10 13.83 -8.35 C:7 16.24 -9.77 C:4 12.61 -10.47 C:6 15.05 -10.47 C:8 16.24 -8.35 C:5 13.83 -9.77 1 16 1 2 16 1 3 19 1 23 4 -1 26 5 -1 6 17 2 7 18 2 8 20 2 25 9 -2 10 16 2 10 17 1 11 21 2 11 25 1 12 13 1 12 18 1 13 23 1 14 17 1 24 14 -1 15 20 1 15 25 1 18 21 1 19 20 1 19 22 2 21 26 1 22 24 1 22 25 1 23 26 1 24 26 1', '26 28 C 17.52 -16.04 C 18.73 -13.93 C 17.98 -11.52 C 12.61 -11.89 C 13.86 -11.17 O 17.48 -11.85 O 12.58 -6.26 O 19.77 -9.07 O 16.24 -6.95 C 16.30 -13.97 C 15.05 -7.66 C 11.39 -8.35 C 11.39 -9.77 O 15.07 -11.88 O 17.55 -7.93 C 17.53 -14.64 C 16.28 -12.57 C 12.61 -7.66 C 17.55 -10.18 C 18.37 -9.07 C 13.83 -8.35 C 16.24 -9.77 C 12.61 -10.47 C 15.05 -10.47 C 16.24 -8.35 C 13.83 -9.77 1 16 1 2 16 1 3 19 1 23 4 -1 26 5 -1 6 17 2 7 18 2 8 20 2 25 9 -2 10 16 2 10 17 1 11 21 2 11 25 1 12 13 1 12 18 1 13 23 1 14 17 1 24 14 -1 15 20 1 15 25 1 18 21 1 19 20 1 19 22 2 21 26 1 22 24 1 22 25 1 23 26 1 24 26 1', '26 28 C:21 17.52 -16.04 C:21 18.73 -13.93 C:9 17.98 -11.52 C:9 12.61 -11.89 C:17 13.86 -11.17 O 17.48 -11.85 O 12.58 -6.26 O 19.77 -9.07 O 16.24 -6.95 C:115 16.30 -13.97 C:118 15.05 -7.66 C:33 11.39 -8.35 C:28 11.39 -9.77 O 15.07 -11.88 O 17.55 -7.93 C:161 17.53 -14.64 C:167 16.28 -12.57 C:207 12.61 -7.66 C:125 17.55 -10.18 C:173 18.37 -9.07 C:159 13.83 -8.35 C:154 16.24 -9.77 C:36 12.61 -10.47 C:71 15.05 -10.47 C:104 16.24 -8.35 C:51 13.83 -9.77 1 16 1 2 16 1 3 19 1 23 4 -1 26 5 -1 6 17 2 7 18 2 8 20 2 25 9 -2 10 16 2 10 17 1 11 21 2 11 25 1 12 13 1 12 18 1 13 23 1 14 17 1 24 14 -1 15 20 1 15 25 1 18 21 1 19 20 1 19 22 2 21 26 1 22 24 1 22 25 1 23 26 1 24 26 1', 'C20H24O6', 360.21, 'C', 'np02_714_4', 2411, '', '', '1', 1, NULL, NULL),
(5785, '', '3-Angeloyloxy-8-epoxyangeloyloxy-10(14)-oplopen-4-one', 'Terpenoids', 'Sesquiterpenoids', 'Oplopanes', '[H][C@@:1]13[CH2:2][C@H:3](O[C:3001](=O)[C:3002]([CH3:3005])=[CH:3003][CH3:3004])[C@H:5]([C:4]([CH3:15])=O)[C@@:6]1([H])[C@H:7]([CH:11]([CH3:13])[CH3:12])[C@H:8](O[C:8001](=O)[C@@:8002]2([CH3:8005])O[C@H:8003]2[CH3:8004])[CH2:9][C:10]3=[CH2:14]', '[H][C@@]13C[C@H](OC(=O)C(C)=CC)[C@H](C(C)=O)[C@@]1([H])[C@H](C(C)C)[C@H](OC(=O)[C@@]2(C)O[C@H]2C)CC3=C', '[H][C@@:48]13[CH2:35][C@H:74](O[C:167](=O)[C:127]([CH3:20])=[CH:140][CH3:16])[C@H:58]([C:206]([CH3:32])=O)[C@@:46]1([H])[C@H:52]([CH:29]([CH3:19])[CH3:23])[C@H:72](O[C:169](=O)[C@@:60]2([CH3:19])O[C@H:60]2[CH3:14])[CH2:41][C:144]3=[CH2:108]', '33 35 H 15.06 -9.05 H 15.06 -12.89 C:14 16.28 -7.92 C:3004 9.46 -11.97 C:15 13.96 -14.37 C:3005 8.71 -8.35 C:13 17.52 -14.34 C:12 15.06 -14.34 C:8004 22.44 -10.05 C:8005 21.21 -13.57 O 11.74 -13.39 O 11.50 -8.34 O 19.97 -10.06 C:3003 8.75 -10.78 C:9 17.52 -10.06 C:2 13.73 -9.63 O 11.50 -10.76 O 18.75 -12.17 O 22.44 -12.87 C:4 13.13 -13.23 C:3002 9.43 -9.57 C:10 16.28 -9.35 C:3001 10.81 -9.57 C:8001 19.97 -11.47 C:11 16.28 -13.61 C:8003 22.44 -11.46 C:8 17.52 -11.48 C:3 12.87 -10.77 C:5 13.73 -11.93 C:7 16.28 -12.19 C:1 15.06 -10.06 C:6 15.06 -11.48 C:8002 21.21 -12.16 31 1 -2 32 2 -1 3 22 2 4 14 1 5 20 1 6 21 1 7 25 1 8 25 1 26 9 -2 33 10 -1 11 20 2 12 23 2 13 24 2 14 21 2 15 22 1 15 27 1 16 28 1 16 31 1 17 23 1 28 17 -1 18 24 1 27 18 -1 19 26 1 19 33 1 29 20 -1 21 23 1 22 31 1 24 33 1 30 25 -1 26 33 1 27 30 1 28 29 1 29 32 1 30 32 1 31 32 1', '33 35 H 15.06 -9.05 H 15.06 -12.89 C 16.28 -7.92 C 9.46 -11.97 C 13.96 -14.37 C 8.71 -8.35 C 17.52 -14.34 C 15.06 -14.34 C 22.44 -10.05 C 21.21 -13.57 O 11.74 -13.39 O 11.50 -8.34 O 19.97 -10.06 C 8.75 -10.78 C 17.52 -10.06 C 13.73 -9.63 O 11.50 -10.76 O 18.75 -12.17 O 22.44 -12.87 C 13.13 -13.23 C 9.43 -9.57 C 16.28 -9.35 C 10.81 -9.57 C 19.97 -11.47 C 16.28 -13.61 C 22.44 -11.46 C 17.52 -11.48 C 12.87 -10.77 C 13.73 -11.93 C 16.28 -12.19 C 15.06 -10.06 C 15.06 -11.48 C 21.21 -12.16 31 1 -2 32 2 -1 3 22 2 4 14 1 5 20 1 6 21 1 7 25 1 8 25 1 26 9 -2 33 10 -1 11 20 2 12 23 2 13 24 2 14 21 2 15 22 1 15 27 1 16 28 1 16 31 1 17 23 1 28 17 -1 18 24 1 27 18 -1 19 26 1 19 33 1 29 20 -1 21 23 1 22 31 1 24 33 1 30 25 -1 26 33 1 27 30 1 28 29 1 29 32 1 30 32 1 31 32 1', '33 35 H 15.06 -9.05 H 15.06 -12.89 C:108 16.28 -7.92 C:16 9.46 -11.97 C:32 13.96 -14.37 C:20 8.71 -8.35 C:19 17.52 -14.34 C:23 15.06 -14.34 C:14 22.44 -10.05 C:19 21.21 -13.57 O 11.74 -13.39 O 11.50 -8.34 O 19.97 -10.06 C:140 8.75 -10.78 C:41 17.52 -10.06 C:35 13.73 -9.63 O 11.50 -10.76 O 18.75 -12.17 O 22.44 -12.87 C:206 13.13 -13.23 C:127 9.43 -9.57 C:144 16.28 -9.35 C:167 10.81 -9.57 C:169 19.97 -11.47 C:29 16.28 -13.61 C:60 22.44 -11.46 C:72 17.52 -11.48 C:74 12.87 -10.77 C:58 13.73 -11.93 C:52 16.28 -12.19 C:48 15.06 -10.06 C:46 15.06 -11.48 C:60 21.21 -12.16 31 1 -2 32 2 -1 3 22 2 4 14 1 5 20 1 6 21 1 7 25 1 8 25 1 26 9 -2 33 10 -1 11 20 2 12 23 2 13 24 2 14 21 2 15 22 1 15 27 1 16 28 1 16 31 1 17 23 1 28 17 -1 18 24 1 27 18 -1 19 26 1 19 33 1 29 20 -1 21 23 1 22 31 1 24 33 1 30 25 -1 26 33 1 27 30 1 28 29 1 29 32 1 30 32 1 31 32 1', 'C25H36O6', 432.28, 'C', 'np03_225_1', 136, '', '', '1', 1, NULL, NULL),
(5786, '', '3-Angeloyloxy-8-acetoxy-10(14)-oplopen-4-one', 'Terpenoids', 'Sesquiterpenoids', 'Oplopanes', '[H][C@@:1]12[CH2:2][C@H:3](O[C:3001](=O)[C:3002]([CH3:3005])=[CH:3003][CH3:3004])[C@H:5]([C:4]([CH3:15])=O)[C@@:6]1([H])[C@H:7]([CH:11]([CH3:12])[CH3:13])[C@H:8](O[C:8001]([CH3:8002])=O)[CH2:9][C:10]2=[CH2:14]', '[H][C@@]12C[C@H](OC(=O)C(C)=CC)[C@H](C(C)=O)[C@@]1([H])[C@H](C(C)C)[C@H](OC(C)=O)CC2=C', '[H][C@@:48]12[CH2:35][C@H:74](O[C:167](=O)[C:127]([CH3:20])=[CH:139][CH3:16])[C@H:58]([C:206]([CH3:32])=O)[C@@:46]1([H])[C@H:52]([CH:30]([CH3:22])[CH3:18])[C@H:71](O[C:171]([CH3:22])=O)[CH2:41][C:145]2=[CH2:107]', '29 30 H 15.69 -9.05 H 15.69 -12.88 C:14 16.91 -7.91 C:3004 10.07 -11.96 C:8002 21.84 -12.16 C:15 14.58 -14.36 C:3005 9.34 -8.35 C:12 15.69 -14.33 C:13 18.16 -14.33 O 20.61 -10.05 O 12.35 -13.39 O 12.12 -8.34 C:3003 9.36 -10.76 C:9 18.16 -10.05 C:2 14.35 -9.62 O 19.39 -12.17 O 12.12 -10.74 C:8001 20.61 -11.46 C:4 13.75 -13.23 C:3002 10.04 -9.56 C:10 16.91 -9.34 C:3001 11.42 -9.56 C:11 16.91 -13.60 C:8 18.16 -11.47 C:3 13.49 -10.75 C:5 14.35 -11.92 C:7 16.91 -12.19 C:1 15.69 -10.05 C:6 15.69 -11.47 28 1 -2 29 2 -1 3 21 2 4 13 1 5 18 1 6 19 1 7 20 1 8 23 1 9 23 1 10 18 2 11 19 2 12 22 2 13 20 2 14 21 1 14 24 1 15 25 1 15 28 1 16 18 1 24 16 -1 17 22 1 25 17 -1 26 19 -1 20 22 1 21 28 1 27 23 -1 24 27 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 30 H 15.69 -9.05 H 15.69 -12.88 C 16.91 -7.91 C 10.07 -11.96 C 21.84 -12.16 C 14.58 -14.36 C 9.34 -8.35 C 15.69 -14.33 C 18.16 -14.33 O 20.61 -10.05 O 12.35 -13.39 O 12.12 -8.34 C 9.36 -10.76 C 18.16 -10.05 C 14.35 -9.62 O 19.39 -12.17 O 12.12 -10.74 C 20.61 -11.46 C 13.75 -13.23 C 10.04 -9.56 C 16.91 -9.34 C 11.42 -9.56 C 16.91 -13.60 C 18.16 -11.47 C 13.49 -10.75 C 14.35 -11.92 C 16.91 -12.19 C 15.69 -10.05 C 15.69 -11.47 28 1 -2 29 2 -1 3 21 2 4 13 1 5 18 1 6 19 1 7 20 1 8 23 1 9 23 1 10 18 2 11 19 2 12 22 2 13 20 2 14 21 1 14 24 1 15 25 1 15 28 1 16 18 1 24 16 -1 17 22 1 25 17 -1 26 19 -1 20 22 1 21 28 1 27 23 -1 24 27 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 30 H 15.69 -9.05 H 15.69 -12.88 C:107 16.91 -7.91 C:16 10.07 -11.96 C:22 21.84 -12.16 C:32 14.58 -14.36 C:20 9.34 -8.35 C:22 15.69 -14.33 C:18 18.16 -14.33 O 20.61 -10.05 O 12.35 -13.39 O 12.12 -8.34 C:139 9.36 -10.76 C:41 18.16 -10.05 C:35 14.35 -9.62 O 19.39 -12.17 O 12.12 -10.74 C:171 20.61 -11.46 C:206 13.75 -13.23 C:127 10.04 -9.56 C:145 16.91 -9.34 C:167 11.42 -9.56 C:30 16.91 -13.60 C:71 18.16 -11.47 C:74 13.49 -10.75 C:58 14.35 -11.92 C:52 16.91 -12.19 C:48 15.69 -10.05 C:46 15.69 -11.47 28 1 -2 29 2 -1 3 21 2 4 13 1 5 18 1 6 19 1 7 20 1 8 23 1 9 23 1 10 18 2 11 19 2 12 22 2 13 20 2 14 21 1 14 24 1 15 25 1 15 28 1 16 18 1 24 16 -1 17 22 1 25 17 -1 26 19 -1 20 22 1 21 28 1 27 23 -1 24 27 1 25 26 1 26 29 1 27 29 1 28 29 1', 'C22H32O5', 376.248, 'C', 'np03_225_2', 136, '', '', '1', 1, 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
(5802, 'Petasone B', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:12][C:11]([CH3:13])=[C:7]1[CH2:6][C@@:5]2([CH3:14])[C:10](=[CH:9][C:8]1=O)[CH2:1][CH2:2][C@@H:3](O[C:3002](=O)[CH:3003]=[CH:3004]S([CH3:3005])=O)[C@@H:4]2[CH3:15]', 'CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)C=CS(C)=O)[C@@H]2C', '[CH3:23][C:144]([CH3:22])=[C:127]1[CH2:41][C@@:42]2([CH3:17])[C:164](=[CH:127][C:192]1=O)[CH2:30][CH2:31][C@@H:75](O[C:163](=O)[CH:126]=[CH:151]S([CH3:40])=O)[C@@H:46]2[CH3:11]', '24 25 C:12 22.82 -11.13 C:13 21.60 -13.23 C:15 16.74 -13.23 C:3005 8.27 -11.15 C:14 17.99 -12.54 O 13.11 -9.74 O 21.58 -9.02 O 9.48 -13.25 C:3003 11.90 -11.84 C:3004 10.69 -11.15 C:9 19.18 -9.03 C:1 16.74 -9.03 C:2 15.53 -9.72 C:6 19.18 -11.83 O 14.32 -11.83 C:11 21.60 -11.83 C:3002 13.11 -11.14 C:8 20.39 -9.72 C:10 17.96 -9.72 C:7 20.39 -11.13 C:4 16.74 -11.83 C:3 15.53 -11.13 S 9.48 -11.85 C:5 17.96 -11.13 1 16 1 2 16 1 21 3 -1 4 23 1 24 5 -1 6 17 2 7 18 2 8 23 2 9 10 2 9 17 1 10 23 1 11 18 1 11 19 2 12 13 1 12 19 1 13 22 1 14 20 1 14 24 1 15 17 1 22 15 -2 16 20 2 18 20 1 19 24 1 21 22 1 21 24 1', '24 25 C 22.82 -11.13 C 21.60 -13.23 C 16.74 -13.23 C 8.27 -11.15 C 17.99 -12.54 O 13.11 -9.74 O 21.58 -9.02 O 9.48 -13.25 C 11.90 -11.84 C 10.69 -11.15 C 19.18 -9.03 C 16.74 -9.03 C 15.53 -9.72 C 19.18 -11.83 O 14.32 -11.83 C 21.60 -11.83 C 13.11 -11.14 C 20.39 -9.72 C 17.96 -9.72 C 20.39 -11.13 C 16.74 -11.83 C 15.53 -11.13 S 9.48 -11.85 C 17.96 -11.13 1 16 1 2 16 1 21 3 -1 4 23 1 24 5 -1 6 17 2 7 18 2 8 23 2 9 10 2 9 17 1 10 23 1 11 18 1 11 19 2 12 13 1 12 19 1 13 22 1 14 20 1 14 24 1 15 17 1 22 15 -2 16 20 2 18 20 1 19 24 1 21 22 1 21 24 1', '24 25 C:23 22.82 -11.13 C:22 21.60 -13.23 C:11 16.74 -13.23 C:40 8.27 -11.15 C:17 17.99 -12.54 O 13.11 -9.74 O 21.58 -9.02 O 9.48 -13.25 C:126 11.90 -11.84 C:151 10.69 -11.15 C:127 19.18 -9.03 C:30 16.74 -9.03 C:31 15.53 -9.72 C:41 19.18 -11.83 O 14.32 -11.83 C:144 21.60 -11.83 C:163 13.11 -11.14 C:192 20.39 -9.72 C:164 17.96 -9.72 C:127 20.39 -11.13 C:46 16.74 -11.83 C:75 15.53 -11.13 S 9.48 -11.85 C:42 17.96 -11.13 1 16 1 2 16 1 21 3 -1 4 23 1 24 5 -1 6 17 2 7 18 2 8 23 2 9 10 2 9 17 1 10 23 1 11 18 1 11 19 2 12 13 1 12 19 1 13 22 1 14 20 1 14 24 1 15 17 1 22 15 -2 16 20 2 18 20 1 19 24 1 21 22 1 21 24 1', 'C19H26O4S', 350.267, 'C', 'np98_887_2', 1327, '', '', '1', 1, NULL, NULL),
(5803, 'S-Petasitin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:3005]S[CH:3004]=[CH:3003][C:3002](=O)O[C@@H:3]2[CH2:2][CH2:1][C:10]1=[CH:9][C:8](=O)[C:7]([C:11]([CH3:12])([CH3:13])O)=[CH:6][C@:5]1([CH3:14])[C@H:4]2[CH3:15]', 'CSC=CC(=O)O[C@@H]2CCC1=CC(=O)C(C(C)(C)O)=C[C@]1(C)[C@H]2C', '[CH3:19]S[CH:153]=[CH:113][C:166](=O)O[C@@H:73]2[CH2:33][CH2:30][C:166]1=[CH:125][C:188](=O)[C:141]([C:72]([CH3:29])([CH3:29])O)=[CH:148][C@:43]1([CH3:19])[C@H:45]2[CH3:12]', '24 25 C:3005 8.89 -9.07 C:15 16.12 -13.26 C:12 22.21 -11.15 C:13 20.99 -13.26 C:14 17.37 -12.56 O 12.49 -9.75 O 20.97 -9.04 O 22.20 -12.55 C:3004 10.09 -11.15 C:3003 11.29 -11.84 C:9 18.56 -9.05 C:6 18.56 -11.85 C:1 16.12 -9.05 C:2 14.90 -9.74 O 13.70 -11.84 S 10.09 -9.76 C:3002 12.49 -11.15 C:8 19.77 -9.74 C:10 17.34 -9.74 C:7 19.77 -11.15 C:4 16.12 -11.85 C:3 14.90 -11.15 C:11 20.99 -11.85 C:5 17.34 -11.15 1 16 1 21 2 -1 3 23 1 4 23 1 24 5 -1 6 17 2 7 18 2 8 23 1 9 10 2 9 16 1 10 17 1 11 18 1 11 19 2 12 20 2 12 24 1 13 14 1 13 19 1 14 22 1 15 17 1 22 15 -2 18 20 1 19 24 1 20 23 1 21 22 1 21 24 1', '24 25 C 8.89 -9.07 C 16.12 -13.26 C 22.21 -11.15 C 20.99 -13.26 C 17.37 -12.56 O 12.49 -9.75 O 20.97 -9.04 O 22.20 -12.55 C 10.09 -11.15 C 11.29 -11.84 C 18.56 -9.05 C 18.56 -11.85 C 16.12 -9.05 C 14.90 -9.74 O 13.70 -11.84 S 10.09 -9.76 C 12.49 -11.15 C 19.77 -9.74 C 17.34 -9.74 C 19.77 -11.15 C 16.12 -11.85 C 14.90 -11.15 C 20.99 -11.85 C 17.34 -11.15 1 16 1 21 2 -1 3 23 1 4 23 1 24 5 -1 6 17 2 7 18 2 8 23 1 9 10 2 9 16 1 10 17 1 11 18 1 11 19 2 12 20 2 12 24 1 13 14 1 13 19 1 14 22 1 15 17 1 22 15 -2 18 20 1 19 24 1 20 23 1 21 22 1 21 24 1', '24 25 C:19 8.89 -9.07 C:12 16.12 -13.26 C:29 22.21 -11.15 C:29 20.99 -13.26 C:19 17.37 -12.56 O 12.49 -9.75 O 20.97 -9.04 O 22.20 -12.55 C:153 10.09 -11.15 C:113 11.29 -11.84 C:125 18.56 -9.05 C:148 18.56 -11.85 C:30 16.12 -9.05 C:33 14.90 -9.74 O 13.70 -11.84 S 10.09 -9.76 C:166 12.49 -11.15 C:188 19.77 -9.74 C:166 17.34 -9.74 C:141 19.77 -11.15 C:45 16.12 -11.85 C:73 14.90 -11.15 C:72 20.99 -11.85 C:43 17.34 -11.15 1 16 1 21 2 -1 3 23 1 4 23 1 24 5 -1 6 17 2 7 18 2 8 23 1 9 10 2 9 16 1 10 17 1 11 18 1 11 19 2 12 20 2 12 24 1 13 14 1 13 19 1 14 22 1 15 17 1 22 15 -2 18 20 1 19 24 1 20 23 1 21 22 1 21 24 1', 'C19H26O4S', 350.267, 'C', 'np98_887_3', 1327, '', '', '1', 1, NULL, NULL),
(5804, 'Petasinol', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH2:12]=[C:11]([CH3:13])[C@@H:7]1[CH2:6][C@@:5]2([CH3:14])[C:10](=[CH:9][C@H:8]1O)[CH2:1][CH2:2][C@@H:3](O[C:3002](=O)[CH:3003]=[CH:3004]S([CH3:3005])=O)[C@@H:4]2[CH3:15]', 'C=C(C)[C@@H]1C[C@@]2(C)C(=C[C@H]1O)CC[C@@H](OC(=O)C=CS(C)=O)[C@@H]2C', '[CH2:113]=[C:145]([CH3:20])[C@@H:47]1[CH2:37][C@@:39]2([CH3:22])[C:146](=[CH:124][C@H:69]1O)[CH2:29][CH2:34][C@@H:77](O[C:163](=O)[CH:126]=[CH:151]S([CH3:40])=O)[C@@H:43]2[CH3:12]', '24 25 C:12 22.82 -11.13 C:13 21.60 -13.23 C:15 16.74 -13.23 C:3005 8.27 -11.15 C:14 17.99 -12.54 O 13.11 -9.74 O 9.48 -13.25 O 21.58 -9.02 C:3003 11.90 -11.84 C:3004 10.69 -11.15 C:9 19.18 -9.03 C:1 16.74 -9.03 C:2 15.53 -9.72 C:6 19.18 -11.83 O 14.32 -11.83 C:11 21.60 -11.83 C:3002 13.11 -11.14 C:10 17.96 -9.72 C:8 20.39 -9.72 C:4 16.74 -11.83 C:3 15.53 -11.13 C:7 20.39 -11.13 S 9.48 -11.85 C:5 17.96 -11.13 1 16 2 2 16 1 20 3 -1 4 23 1 24 5 -1 6 17 2 7 23 2 19 8 -1 9 10 2 9 17 1 10 23 1 11 18 2 11 19 1 12 13 1 12 18 1 13 21 1 14 22 1 14 24 1 15 17 1 21 15 -2 22 16 -2 18 24 1 19 22 1 20 21 1 20 24 1', '24 25 C 22.82 -11.13 C 21.60 -13.23 C 16.74 -13.23 C 8.27 -11.15 C 17.99 -12.54 O 13.11 -9.74 O 9.48 -13.25 O 21.58 -9.02 C 11.90 -11.84 C 10.69 -11.15 C 19.18 -9.03 C 16.74 -9.03 C 15.53 -9.72 C 19.18 -11.83 O 14.32 -11.83 C 21.60 -11.83 C 13.11 -11.14 C 17.96 -9.72 C 20.39 -9.72 C 16.74 -11.83 C 15.53 -11.13 C 20.39 -11.13 S 9.48 -11.85 C 17.96 -11.13 1 16 2 2 16 1 20 3 -1 4 23 1 24 5 -1 6 17 2 7 23 2 19 8 -1 9 10 2 9 17 1 10 23 1 11 18 2 11 19 1 12 13 1 12 18 1 13 21 1 14 22 1 14 24 1 15 17 1 21 15 -2 22 16 -2 18 24 1 19 22 1 20 21 1 20 24 1', '24 25 C:113 22.82 -11.13 C:20 21.60 -13.23 C:12 16.74 -13.23 C:40 8.27 -11.15 C:22 17.99 -12.54 O 13.11 -9.74 O 9.48 -13.25 O 21.58 -9.02 C:126 11.90 -11.84 C:151 10.69 -11.15 C:124 19.18 -9.03 C:29 16.74 -9.03 C:34 15.53 -9.72 C:37 19.18 -11.83 O 14.32 -11.83 C:145 21.60 -11.83 C:163 13.11 -11.14 C:146 17.96 -9.72 C:69 20.39 -9.72 C:43 16.74 -11.83 C:77 15.53 -11.13 C:47 20.39 -11.13 S 9.48 -11.85 C:39 17.96 -11.13 1 16 2 2 16 1 20 3 -1 4 23 1 24 5 -1 6 17 2 7 23 2 19 8 -1 9 10 2 9 17 1 10 23 1 11 18 2 11 19 1 12 13 1 12 18 1 13 21 1 14 22 1 14 24 1 15 17 1 21 15 -2 22 16 -2 18 24 1 19 22 1 20 21 1 20 24 1', 'C19H28O4S', 352.267, 'C', 'np98_887_4', 1327, '', '', '1', 1, NULL, NULL),
(5805, 'trans-b-farnesene', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]23[CH2:6][c:7]1[c:11]([CH3:13])[cH:12]o[c:8]1[CH2:9][C@@:10]2([CH3:14])[CH2:1][CH2:2][CH:3]=[C:4]3[CH3:15]', '[H][C@@]23Cc1c(C)coc1C[C@@]2(C)CCC=C3C', '[H][C@@:44]23[CH2:22][c:118]1[c:120]([CH3:8])[cH:137]o[c:151]1[CH2:39][C@@:34]2([CH3:17])[CH2:38][CH2:23][CH:122]=[C:135]3[CH3:21]', '17 19 H 17.77 -11.56 C:15 16.58 -12.51 C:13 22.08 -12.20 C:14 17.78 -7.58 C:3 15.34 -10.40 C:12 22.46 -9.70 C:2 15.34 -9.00 C:1 16.58 -8.29 C:9 19.04 -8.29 C:6 19.04 -11.11 O 21.64 -8.56 C:4 16.58 -11.10 C:11 21.64 -10.85 C:8 20.29 -9.00 C:7 20.29 -10.41 C:10 17.78 -9.00 C:5 17.77 -10.50 17 1 -2 2 12 1 3 13 1 16 4 -1 5 7 1 5 12 2 6 11 1 6 13 2 7 8 1 8 16 1 9 14 1 9 16 1 10 15 1 10 17 1 11 14 1 12 17 1 13 15 1 14 15 2 16 17 1', '17 19 H 17.77 -11.56 C 16.58 -12.51 C 22.08 -12.20 C 17.78 -7.58 C 15.34 -10.40 C 22.46 -9.70 C 15.34 -9.00 C 16.58 -8.29 C 19.04 -8.29 C 19.04 -11.11 O 21.64 -8.56 C 16.58 -11.10 C 21.64 -10.85 C 20.29 -9.00 C 20.29 -10.41 C 17.78 -9.00 C 17.77 -10.50 17 1 -2 2 12 1 3 13 1 16 4 -1 5 7 1 5 12 2 6 11 1 6 13 2 7 8 1 8 16 1 9 14 1 9 16 1 10 15 1 10 17 1 11 14 1 12 17 1 13 15 1 14 15 2 16 17 1', '17 19 H 17.77 -11.56 C:21 16.58 -12.51 C:8 22.08 -12.20 C:17 17.78 -7.58 C:122 15.34 -10.40 C:137 22.46 -9.70 C:23 15.34 -9.00 C:38 16.58 -8.29 C:39 19.04 -8.29 C:22 19.04 -11.11 O 21.64 -8.56 C:135 16.58 -11.10 C:120 21.64 -10.85 C:151 20.29 -9.00 C:118 20.29 -10.41 C:34 17.78 -9.00 C:44 17.77 -10.50 17 1 -2 2 12 1 3 13 1 16 4 -1 5 7 1 5 12 2 6 11 1 6 13 2 7 8 1 8 16 1 9 14 1 9 16 1 10 15 1 10 17 1 11 14 1 12 17 1 13 15 1 14 15 2 16 17 1', 'C15H20O', 216.168, 'Cloruro metileno', 'np03_1517_2', 712, '', '', '1', 1, NULL, NULL),
(5806, 'Gibberoketosterol B', '', 'Steroids', 'Ergostanes', '', '[H][C@:17]3([C@H:20]([CH3:21])[CH:22]=[CH:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]4([H])[C@:8]2([H])[CH2:7][C:6](=O)[C@:5]1(O)[CH2:4][C@@H:3](O)[CH2:2][C@H:1](O)[C@:10]1([CH3:19])[C@@:9]2([H])[CH2:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)C=CC(=C)C(C)C)CC[C@@]4([H])[C@]2([H])CC(=O)[C@]1(O)C[C@@H](O)C[C@H](O)[C@]1(C)[C@@]2([H])CC[C@]34C', '[H][C@:56]3([C@H:40]([CH3:20])[CH:136]=[CH:130][C:153](=[CH2:110])[CH:29]([CH3:22])[CH3:22])[CH2:28][CH2:24][C@@:57]4([H])[C@:37]2([H])[CH2:41][C:211](=O)[C@:84]1(O)[CH2:37][C@@H:68](O)[CH2:38][C@H:71](O)[C@:49]1([CH3:13])[C@@:43]2([H])[CH2:24][CH2:40][C@:42]34[CH3:12]', '36 39 H 16.85 -10.71 H 15.64 -12.65 H 13.12 -12.64 H 14.35 -11.22 C:24001 22.12 -9.89 C:26 20.67 -6.42 C:27 22.98 -7.18 C:21 16.44 -7.26 C:18 15.63 -8.71 C:19 11.79 -10.87 O 13.09 -15.92 O 8.12 -14.56 O 10.56 -10.17 O 11.79 -15.22 C:23 19.76 -9.11 C:22 18.81 -8.04 C:16 17.78 -10.87 C:15 16.95 -12.00 C:11 13.09 -10.15 C:12 14.34 -9.41 C:2 9.32 -12.32 C:7 14.34 -13.82 C:4 10.56 -14.52 C:24 21.16 -8.80 C:6 13.09 -14.52 C:25 21.60 -7.46 C:20 17.39 -8.33 C:3 9.32 -13.82 C:1 10.56 -11.57 C:17 16.95 -9.70 C:14 15.62 -11.57 C:9 13.09 -11.57 C:8 14.34 -12.32 C:13 15.62 -10.15 C:10 11.79 -12.32 C:5 11.79 -13.82 30 1 -2 31 2 -2 32 3 -2 33 4 -1 5 24 2 6 26 1 7 26 1 27 8 -2 34 9 -1 35 10 -1 11 25 2 28 12 -1 29 13 -2 36 14 -1 15 16 2 15 24 1 16 27 1 17 18 1 17 30 1 18 31 1 19 20 1 19 32 1 20 34 1 21 28 1 21 29 1 22 25 1 22 33 1 23 28 1 23 36 1 24 26 1 25 36 1 27 30 1 29 35 1 30 34 1 31 33 1 31 34 1 32 33 1 32 35 1 35 36 1', '36 39 H 16.85 -10.71 H 15.64 -12.65 H 13.12 -12.64 H 14.35 -11.22 C 22.12 -9.89 C 20.67 -6.42 C 22.98 -7.18 C 16.44 -7.26 C 15.63 -8.71 C 11.79 -10.87 O 13.09 -15.92 O 8.12 -14.56 O 10.56 -10.17 O 11.79 -15.22 C 19.76 -9.11 C 18.81 -8.04 C 17.78 -10.87 C 16.95 -12.00 C 13.09 -10.15 C 14.34 -9.41 C 9.32 -12.32 C 14.34 -13.82 C 10.56 -14.52 C 21.16 -8.80 C 13.09 -14.52 C 21.60 -7.46 C 17.39 -8.33 C 9.32 -13.82 C 10.56 -11.57 C 16.95 -9.70 C 15.62 -11.57 C 13.09 -11.57 C 14.34 -12.32 C 15.62 -10.15 C 11.79 -12.32 C 11.79 -13.82 30 1 -2 31 2 -2 32 3 -2 33 4 -1 5 24 2 6 26 1 7 26 1 27 8 -2 34 9 -1 35 10 -1 11 25 2 28 12 -1 29 13 -2 36 14 -1 15 16 2 15 24 1 16 27 1 17 18 1 17 30 1 18 31 1 19 20 1 19 32 1 20 34 1 21 28 1 21 29 1 22 25 1 22 33 1 23 28 1 23 36 1 24 26 1 25 36 1 27 30 1 29 35 1 30 34 1 31 33 1 31 34 1 32 33 1 32 35 1 35 36 1', '36 39 H 16.85 -10.71 H 15.64 -12.65 H 13.12 -12.64 H 14.35 -11.22 C:110 22.12 -9.89 C:22 20.67 -6.42 C:22 22.98 -7.18 C:20 16.44 -7.26 C:12 15.63 -8.71 C:13 11.79 -10.87 O 13.09 -15.92 O 8.12 -14.56 O 10.56 -10.17 O 11.79 -15.22 C:130 19.76 -9.11 C:136 18.81 -8.04 C:28 17.78 -10.87 C:24 16.95 -12.00 C:24 13.09 -10.15 C:40 14.34 -9.41 C:38 9.32 -12.32 C:41 14.34 -13.82 C:37 10.56 -14.52 C:153 21.16 -8.80 C:211 13.09 -14.52 C:29 21.60 -7.46 C:40 17.39 -8.33 C:68 9.32 -13.82 C:71 10.56 -11.57 C:56 16.95 -9.70 C:57 15.62 -11.57 C:43 13.09 -11.57 C:37 14.34 -12.32 C:42 15.62 -10.15 C:49 11.79 -12.32 C:84 11.79 -13.82 30 1 -2 31 2 -2 32 3 -2 33 4 -1 5 24 2 6 26 1 7 26 1 27 8 -2 34 9 -1 35 10 -1 11 25 2 28 12 -1 29 13 -2 36 14 -1 15 16 2 15 24 1 16 27 1 17 18 1 17 30 1 18 31 1 19 20 1 19 32 1 20 34 1 21 28 1 21 29 1 22 25 1 22 33 1 23 28 1 23 36 1 24 26 1 25 36 1 27 30 1 29 35 1 30 34 1 31 33 1 31 34 1 32 33 1 32 35 1 35 36 1', 'C28H44O4', 444.329, 'C', 'np06_1275_1', 56, '', '', '1', 1, NULL, NULL),
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