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
(11267, '28-Formyl Sipholenone A', '', 'Terpenoids', 'Triterpenoids', 'Sipholanes', '[H][C@@:7]34[CH2:8][CH2:9][C@:10]([CH3:27])(O)[C@H:11]([CH2:12][CH2:13][C@H:14]2[C:15]([CH:28]=O)=[CH:16][CH2:17][C@@:18]1([H])[C@:19]([CH3:29])(O)[CH2:20][CH2:21][C@@:22]1([H])[C@:23]2([CH3:30])[CH3:31])[C@@:1]3([CH3:24])[CH2:2][CH2:3][C:4](=O)[C@@:5]([CH3:26])([CH3:25])O4', '[H][C@@]34CC[C@](C)(O)[C@H](CC[C@H]2C(C=O)=CC[C@@]1([H])[C@](C)(O)CC[C@@]1([H])[C@]2(C)C)[C@@]3(C)CCC(=O)[C@@](C)(C)O4', '[H][C@@:81]34[CH2:26][CH2:39][C@:72]([CH3:30])(O)[C@H:56]([CH2:26][CH2:34][C@H:46]2[C:150]([CH:195]=O)=[CH:152][CH2:26][C@@:47]1([H])[C@:82]([CH3:26])(O)[CH2:37][CH2:25][C@@:53]1([H])[C@:35]2([CH3:29])[CH3:31])[C@@:42]3([CH3:12])[CH2:40][CH2:35][C:218](=O)[C@@:83]([CH3:27])([CH3:21])O4', '38 41 H 11.08 -8.47 H 17.44 -14.56 H 20.45 -13.38 C:26 11.63 -5.53 C:25 12.92 -5.02 C:30 16.22 -14.45 C:31 15.58 -13.20 C:27 12.67 -13.04 C:29 21.42 -15.91 C:24 13.23 -8.18 O 16.90 -8.78 O 14.90 -5.29 O 11.28 -13.04 O 21.56 -14.45 C:28 18.11 -9.49 C:16 19.54 -11.25 C:3 15.00 -7.70 C:13 15.74 -11.08 C:12 14.49 -11.82 C:17 20.16 -12.55 C:2 14.59 -9.10 C:9 10.72 -11.08 C:20 19.30 -16.14 C:8 10.72 -9.62 C:21 18.00 -15.56 O 11.74 -7.44 C:4 14.21 -6.51 C:15 18.11 -10.90 C:14 16.98 -11.82 C:11 13.23 -11.08 C:5 12.67 -6.40 C:23 16.98 -13.29 C:10 11.98 -11.82 C:19 20.23 -15.07 C:7 11.98 -8.90 C:22 18.11 -14.16 C:18 19.54 -13.86 C:1 13.23 -9.62 35 1 -2 36 2 -2 37 3 -2 31 4 -1 31 5 -2 32 6 -1 32 7 -2 33 8 -2 34 9 -1 38 10 -1 11 15 2 12 27 2 33 13 -1 34 14 -2 15 28 1 16 20 1 16 28 2 17 21 1 17 27 1 18 19 1 29 18 -1 30 19 -1 20 37 1 21 38 1 22 24 1 22 33 1 23 25 1 23 34 1 24 35 1 25 36 1 26 31 1 26 35 1 27 31 1 28 29 1 29 32 1 30 33 1 30 38 1 32 36 1 34 37 1 35 38 1 36 37 1', '38 41 H 11.08 -8.47 H 17.44 -14.56 H 20.45 -13.38 C 11.63 -5.53 C 12.92 -5.02 C 16.22 -14.45 C 15.58 -13.20 C 12.67 -13.04 C 21.42 -15.91 C 13.23 -8.18 O 16.90 -8.78 O 14.90 -5.29 O 11.28 -13.04 O 21.56 -14.45 C 18.11 -9.49 C 19.54 -11.25 C 15.00 -7.70 C 15.74 -11.08 C 14.49 -11.82 C 20.16 -12.55 C 14.59 -9.10 C 10.72 -11.08 C 19.30 -16.14 C 10.72 -9.62 C 18.00 -15.56 O 11.74 -7.44 C 14.21 -6.51 C 18.11 -10.90 C 16.98 -11.82 C 13.23 -11.08 C 12.67 -6.40 C 16.98 -13.29 C 11.98 -11.82 C 20.23 -15.07 C 11.98 -8.90 C 18.11 -14.16 C 19.54 -13.86 C 13.23 -9.62 35 1 -2 36 2 -2 37 3 -2 31 4 -1 31 5 -2 32 6 -1 32 7 -2 33 8 -2 34 9 -1 38 10 -1 11 15 2 12 27 2 33 13 -1 34 14 -2 15 28 1 16 20 1 16 28 2 17 21 1 17 27 1 18 19 1 29 18 -1 30 19 -1 20 37 1 21 38 1 22 24 1 22 33 1 23 25 1 23 34 1 24 35 1 25 36 1 26 31 1 26 35 1 27 31 1 28 29 1 29 32 1 30 33 1 30 38 1 32 36 1 34 37 1 35 38 1 36 37 1', '38 41 H 11.08 -8.47 H 17.44 -14.56 H 20.45 -13.38 C:27 11.63 -5.53 C:21 12.92 -5.02 C:29 16.22 -14.45 C:31 15.58 -13.20 C:30 12.67 -13.04 C:26 21.42 -15.91 C:12 13.23 -8.18 O 16.90 -8.78 O 14.90 -5.29 O 11.28 -13.04 O 21.56 -14.45 C:195 18.11 -9.49 C:152 19.54 -11.25 C:35 15.00 -7.70 C:34 15.74 -11.08 C:26 14.49 -11.82 C:26 20.16 -12.55 C:40 14.59 -9.10 C:39 10.72 -11.08 C:37 19.30 -16.14 C:26 10.72 -9.62 C:25 18.00 -15.56 O 11.74 -7.44 C:218 14.21 -6.51 C:150 18.11 -10.90 C:46 16.98 -11.82 C:56 13.23 -11.08 C:83 12.67 -6.40 C:35 16.98 -13.29 C:72 11.98 -11.82 C:82 20.23 -15.07 C:81 11.98 -8.90 C:53 18.11 -14.16 C:47 19.54 -13.86 C:42 13.23 -9.62 35 1 -2 36 2 -2 37 3 -2 31 4 -1 31 5 -2 32 6 -1 32 7 -2 33 8 -2 34 9 -1 38 10 -1 11 15 2 12 27 2 33 13 -1 34 14 -2 15 28 1 16 20 1 16 28 2 17 21 1 17 27 1 18 19 1 29 18 -1 30 19 -1 20 37 1 21 38 1 22 24 1 22 33 1 23 25 1 23 34 1 24 35 1 25 36 1 26 31 1 26 35 1 27 31 1 28 29 1 29 32 1 30 33 1 30 38 1 32 36 1 34 37 1 35 38 1 36 37 1', 'C30H48O5', 488.342, 'C', 'np07_928_7', 2938, '', '', '1', 1, NULL, NULL),
(11268, '28-Hydroxy Sipholenone A', '', 'Terpenoids', 'Triterpenoids', 'Sipholanes', '[H][C@@:7]34[CH2:8][CH2:9][C@:10]([CH3:27])(O)[C@H:11]([CH2:12][CH2:13][C@H:14]2[C:15]([CH2:28]O)=[CH:16][CH2:17][C@@:18]1([H])[C@:19]([CH3:29])(O)[CH2:20][CH2:21][C@@:22]1([H])[C@@:23]2([CH3:31])[CH3:30])[C@@:1]3([CH3:24])[CH2:2][CH2:3][C:4](=O)[C@:5]([CH3:25])([CH3:26])O4', '[H][C@@]34CC[C@](C)(O)[C@H](CC[C@H]2C(CO)=CC[C@@]1([H])[C@](C)(O)CC[C@@]1([H])[C@@]2(C)C)[C@@]3(C)CCC(=O)[C@](C)(C)O4', '[H][C@@:81]34[CH2:26][CH2:39][C@:72]([CH3:30])(O)[C@H:56]([CH2:26][CH2:34][C@H:46]2[C:150]([CH2:195]O)=[CH:152][CH2:26][C@@:47]1([H])[C@:82]([CH3:26])(O)[CH2:37][CH2:25][C@@:53]1([H])[C@@:35]2([CH3:31])[CH3:29])[C@@:42]3([CH3:12])[CH2:40][CH2:35][C:218](=O)[C@:83]([CH3:21])([CH3:27])O4', '38 41 H 11.08 -8.47 H 17.44 -14.56 H 20.45 -13.38 C:25 12.92 -5.02 C:26 11.63 -5.53 C:31 15.58 -13.20 C:30 16.22 -14.45 C:27 12.67 -13.04 C:29 21.42 -15.91 C:24 13.23 -8.18 O 14.90 -5.29 O 16.90 -8.78 O 11.28 -13.04 O 21.56 -14.45 C:16 19.54 -11.25 C:28 18.11 -9.49 C:3 15.00 -7.70 C:13 15.74 -11.08 C:12 14.49 -11.82 C:17 20.16 -12.55 C:2 14.59 -9.10 C:9 10.72 -11.08 C:20 19.30 -16.14 C:8 10.72 -9.62 C:21 18.00 -15.56 O 11.74 -7.44 C:4 14.21 -6.51 C:15 18.11 -10.90 C:14 16.98 -11.82 C:11 13.23 -11.08 C:5 12.67 -6.40 C:23 16.98 -13.29 C:10 11.98 -11.82 C:19 20.23 -15.07 C:7 11.98 -8.90 C:22 18.11 -14.16 C:18 19.54 -13.86 C:1 13.23 -9.62 35 1 -2 36 2 -2 37 3 -2 31 4 -2 31 5 -1 32 6 -2 32 7 -1 33 8 -2 34 9 -1 38 10 -1 11 27 2 12 16 1 33 13 -1 34 14 -2 15 20 1 15 28 2 16 28 1 17 21 1 17 27 1 18 19 1 29 18 -1 30 19 -1 20 37 1 21 38 1 22 24 1 22 33 1 23 25 1 23 34 1 24 35 1 25 36 1 26 31 1 26 35 1 27 31 1 28 29 1 29 32 1 30 33 1 30 38 1 32 36 1 34 37 1 35 38 1 36 37 1', '38 41 H 11.08 -8.47 H 17.44 -14.56 H 20.45 -13.38 C 12.92 -5.02 C 11.63 -5.53 C 15.58 -13.20 C 16.22 -14.45 C 12.67 -13.04 C 21.42 -15.91 C 13.23 -8.18 O 14.90 -5.29 O 16.90 -8.78 O 11.28 -13.04 O 21.56 -14.45 C 19.54 -11.25 C 18.11 -9.49 C 15.00 -7.70 C 15.74 -11.08 C 14.49 -11.82 C 20.16 -12.55 C 14.59 -9.10 C 10.72 -11.08 C 19.30 -16.14 C 10.72 -9.62 C 18.00 -15.56 O 11.74 -7.44 C 14.21 -6.51 C 18.11 -10.90 C 16.98 -11.82 C 13.23 -11.08 C 12.67 -6.40 C 16.98 -13.29 C 11.98 -11.82 C 20.23 -15.07 C 11.98 -8.90 C 18.11 -14.16 C 19.54 -13.86 C 13.23 -9.62 35 1 -2 36 2 -2 37 3 -2 31 4 -2 31 5 -1 32 6 -2 32 7 -1 33 8 -2 34 9 -1 38 10 -1 11 27 2 12 16 1 33 13 -1 34 14 -2 15 20 1 15 28 2 16 28 1 17 21 1 17 27 1 18 19 1 29 18 -1 30 19 -1 20 37 1 21 38 1 22 24 1 22 33 1 23 25 1 23 34 1 24 35 1 25 36 1 26 31 1 26 35 1 27 31 1 28 29 1 29 32 1 30 33 1 30 38 1 32 36 1 34 37 1 35 38 1 36 37 1', '38 41 H 11.08 -8.47 H 17.44 -14.56 H 20.45 -13.38 C:21 12.92 -5.02 C:27 11.63 -5.53 C:31 15.58 -13.20 C:29 16.22 -14.45 C:30 12.67 -13.04 C:26 21.42 -15.91 C:12 13.23 -8.18 O 14.90 -5.29 O 16.90 -8.78 O 11.28 -13.04 O 21.56 -14.45 C:152 19.54 -11.25 C:195 18.11 -9.49 C:35 15.00 -7.70 C:34 15.74 -11.08 C:26 14.49 -11.82 C:26 20.16 -12.55 C:40 14.59 -9.10 C:39 10.72 -11.08 C:37 19.30 -16.14 C:26 10.72 -9.62 C:25 18.00 -15.56 O 11.74 -7.44 C:218 14.21 -6.51 C:150 18.11 -10.90 C:46 16.98 -11.82 C:56 13.23 -11.08 C:83 12.67 -6.40 C:35 16.98 -13.29 C:72 11.98 -11.82 C:82 20.23 -15.07 C:81 11.98 -8.90 C:53 18.11 -14.16 C:47 19.54 -13.86 C:42 13.23 -9.62 35 1 -2 36 2 -2 37 3 -2 31 4 -2 31 5 -1 32 6 -2 32 7 -1 33 8 -2 34 9 -1 38 10 -1 11 27 2 12 16 1 33 13 -1 34 14 -2 15 20 1 15 28 2 16 28 1 17 21 1 17 27 1 18 19 1 29 18 -1 30 19 -1 20 37 1 21 38 1 22 24 1 22 33 1 23 25 1 23 34 1 24 35 1 25 36 1 26 31 1 26 35 1 27 31 1 28 29 1 29 32 1 30 33 1 30 38 1 32 36 1 34 37 1 35 38 1 36 37 1', 'C30H50O5', 490.342, 'C', 'np07_928_7', 2938, '', '', '1', 1, NULL, NULL),
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(11279, 'Sodwanone G', '', 'Terpenoids', 'Triterpenoids', 'Sodwananes', '[H][C@:7]45[CH2:8][CH2:9][C@@:10]1([CH2:27]O1)[C@@H:11]([CH2:12][CH2:13][C:14]2=[C:15]([CH3:28])[C:16](=O)[C:17](O)=[C:18]3[C@@:23]([CH3:31])([CH3:30])[C:22](=O)[CH2:21][CH2:20][C@:19]23[CH3:29])[C@:6]4([CH3:26])[CH2:5][CH2:4][C:3](=O)[C@@:2]([CH3:24])([CH3:25])O5', '[H][C@]45CC[C@@]1(CO1)[C@@H](CCC2=C(C)C(=O)C(O)=C3[C@@](C)(C)C(=O)CC[C@]23C)[C@]4(C)CCC(=O)[C@@](C)(C)O5', '[H][C@:80]45[CH2:30][CH2:34][C@@:58]1([CH2:50]O1)[C@@H:51]([CH2:22][CH2:33][C:165]2=[C:129]([CH3:12])[C:182](=O)[C:142](O)=[C:138]3[C@@:48]([CH3:24])([CH3:21])[C:215](=O)[CH2:33][CH2:27][C@:43]23[CH3:22])[C@:43]4([CH3:12])[CH2:39][CH2:35][C:217](=O)[C@@:83]([CH3:20])([CH3:26])O5', '37 41 H 10.94 -8.86 C:28 15.58 -14.37 C:24 11.44 -6.02 C:25 12.74 -5.51 C:31 21.72 -11.03 C:30 21.04 -12.65 C:29 17.90 -12.91 C:26 13.03 -8.63 O 14.66 -5.77 O 21.53 -9.35 O 17.92 -15.67 O 20.30 -14.39 C:4 14.75 -8.15 C:21 19.12 -9.40 C:13 15.51 -11.43 C:12 14.25 -12.18 C:20 17.90 -10.07 C:5 14.35 -9.52 C:8 10.55 -10.02 C:9 10.55 -11.43 C:27 12.54 -13.36 O 11.14 -13.40 O 11.55 -7.88 C:15 16.73 -13.63 C:3 13.98 -6.99 C:22 20.30 -10.06 C:16 17.90 -14.27 C:17 19.12 -13.63 C:14 16.73 -12.18 C:18 19.12 -12.18 C:11 13.03 -11.43 C:2 12.54 -6.90 C:23 20.30 -11.45 C:7 11.81 -9.31 C:19 17.92 -11.52 C:6 13.03 -10.02 C:10 11.81 -12.18 34 1 -1 2 24 1 32 3 -1 32 4 -2 33 5 -1 33 6 -2 35 7 -2 36 8 -2 9 25 2 10 26 2 11 27 2 12 28 1 13 18 1 13 25 1 14 17 1 14 26 1 15 16 1 15 29 1 31 16 -2 17 35 1 18 36 1 19 20 1 19 34 1 20 37 1 21 22 1 37 21 -2 22 37 1 23 32 1 23 34 1 24 27 1 24 29 2 25 32 1 26 33 1 27 28 1 28 30 2 29 35 1 30 33 1 30 35 1 31 36 1 31 37 1 34 36 1', '37 41 H 10.94 -8.86 C 15.58 -14.37 C 11.44 -6.02 C 12.74 -5.51 C 21.72 -11.03 C 21.04 -12.65 C 17.90 -12.91 C 13.03 -8.63 O 14.66 -5.77 O 21.53 -9.35 O 17.92 -15.67 O 20.30 -14.39 C 14.75 -8.15 C 19.12 -9.40 C 15.51 -11.43 C 14.25 -12.18 C 17.90 -10.07 C 14.35 -9.52 C 10.55 -10.02 C 10.55 -11.43 C 12.54 -13.36 O 11.14 -13.40 O 11.55 -7.88 C 16.73 -13.63 C 13.98 -6.99 C 20.30 -10.06 C 17.90 -14.27 C 19.12 -13.63 C 16.73 -12.18 C 19.12 -12.18 C 13.03 -11.43 C 12.54 -6.90 C 20.30 -11.45 C 11.81 -9.31 C 17.92 -11.52 C 13.03 -10.02 C 11.81 -12.18 34 1 -1 2 24 1 32 3 -1 32 4 -2 33 5 -1 33 6 -2 35 7 -2 36 8 -2 9 25 2 10 26 2 11 27 2 12 28 1 13 18 1 13 25 1 14 17 1 14 26 1 15 16 1 15 29 1 31 16 -2 17 35 1 18 36 1 19 20 1 19 34 1 20 37 1 21 22 1 37 21 -2 22 37 1 23 32 1 23 34 1 24 27 1 24 29 2 25 32 1 26 33 1 27 28 1 28 30 2 29 35 1 30 33 1 30 35 1 31 36 1 31 37 1 34 36 1', '37 41 H 10.94 -8.86 C:12 15.58 -14.37 C:20 11.44 -6.02 C:26 12.74 -5.51 C:24 21.72 -11.03 C:21 21.04 -12.65 C:22 17.90 -12.91 C:12 13.03 -8.63 O 14.66 -5.77 O 21.53 -9.35 O 17.92 -15.67 O 20.30 -14.39 C:35 14.75 -8.15 C:33 19.12 -9.40 C:33 15.51 -11.43 C:22 14.25 -12.18 C:27 17.90 -10.07 C:39 14.35 -9.52 C:30 10.55 -10.02 C:34 10.55 -11.43 C:50 12.54 -13.36 O 11.14 -13.40 O 11.55 -7.88 C:129 16.73 -13.63 C:217 13.98 -6.99 C:215 20.30 -10.06 C:182 17.90 -14.27 C:142 19.12 -13.63 C:165 16.73 -12.18 C:138 19.12 -12.18 C:51 13.03 -11.43 C:83 12.54 -6.90 C:48 20.30 -11.45 C:80 11.81 -9.31 C:43 17.92 -11.52 C:43 13.03 -10.02 C:58 11.81 -12.18 34 1 -1 2 24 1 32 3 -1 32 4 -2 33 5 -1 33 6 -2 35 7 -2 36 8 -2 9 25 2 10 26 2 11 27 2 12 28 1 13 18 1 13 25 1 14 17 1 14 26 1 15 16 1 15 29 1 31 16 -2 17 35 1 18 36 1 19 20 1 19 34 1 20 37 1 21 22 1 37 21 -2 22 37 1 23 32 1 23 34 1 24 27 1 24 29 2 25 32 1 26 33 1 27 28 1 28 30 2 29 35 1 30 33 1 30 35 1 31 36 1 31 37 1 34 36 1', 'C30H42O6', 498.325, 'C', 'np95_1702_5', 2941, '', '', '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
(11280, 'Sodwanone H', '', 'Terpenoids', 'Triterpenoids', 'Sodwananes', '[H][C@:7]34[CH2:8][CH2:9][C@@H:10]([CH3:27])[C@@H:11]([CH2:12][CH2:13][C:14]1=[C:15]([CH3:28])[C:16](=O)[CH:17](O)[C@@:18]2([H])[C@:23]([CH3:30])([CH3:31])[C@H:22](O)[CH2:21][CH2:20][C@:19]12[CH3:29])[C@:6]3([CH3:26])[CH2:5][CH2:4][C:3](=O)[C@:2]([CH3:25])([CH3:24])O4', '[H][C@]34CC[C@@H](C)[C@@H](CCC1=C(C)C(=O)C(O)[C@@]2([H])[C@](C)(C)[C@H](O)CC[C@]12C)[C@]3(C)CCC(=O)[C@](C)(C)O4', '[H][C@:82]34[CH2:31][CH2:28][C@@H:29]([CH3:15])[C@@H:52]([CH2:26][CH2:29][C:169]1=[C:129]([CH3:11])[C:200](=O)[CH:35](O)[C@@:43]2([H])[C@:37]([CH3:22])([CH3:26])[C@H:75](O)[CH2:25][CH2:27][C@:41]12[CH3:18])[C@:40]3([CH3:13])[CH2:40][CH2:35][C:218](=O)[C@:82]([CH3:26])([CH3:20])O4', '37 40 H 10.89 -8.86 H 19.13 -11.09 C:28 15.59 -14.42 C:27 11.76 -13.59 C:25 12.70 -5.49 C:24 11.39 -6.01 C:30 21.05 -12.67 C:31 21.74 -11.09 C:29 17.91 -12.93 C:26 12.99 -8.63 O 14.65 -5.76 O 17.91 -15.72 O 21.54 -9.40 O 20.31 -14.42 C:13 15.52 -11.45 C:4 14.75 -8.15 C:12 14.24 -12.20 C:9 10.49 -11.45 C:21 19.13 -9.40 C:8 10.49 -10.03 C:5 14.34 -9.53 C:20 17.90 -10.03 O 11.50 -7.88 C:15 16.74 -13.66 C:3 13.95 -6.97 C:16 17.90 -14.32 C:14 16.74 -12.20 C:10 11.76 -12.20 C:22 20.31 -10.03 C:17 19.13 -13.66 C:11 12.99 -11.45 C:2 12.45 -6.88 C:23 20.31 -11.45 C:7 11.76 -9.31 C:19 17.90 -11.54 C:6 12.99 -10.03 C:18 19.13 -12.20 34 1 -1 37 2 -1 3 24 1 28 4 -2 32 5 -2 32 6 -1 33 7 -2 33 8 -1 35 9 -2 36 10 -2 11 25 2 12 26 2 29 13 -1 14 30 1 15 17 1 15 27 1 16 21 1 16 25 1 31 17 -2 18 20 1 18 28 1 19 22 1 19 29 1 20 34 1 21 36 1 22 35 1 23 32 1 23 34 1 24 26 1 24 27 2 25 32 1 26 30 1 27 35 1 28 31 1 29 33 1 30 37 1 31 36 1 33 37 1 34 36 1 35 37 1', '37 40 H 10.89 -8.86 H 19.13 -11.09 C 15.59 -14.42 C 11.76 -13.59 C 12.70 -5.49 C 11.39 -6.01 C 21.05 -12.67 C 21.74 -11.09 C 17.91 -12.93 C 12.99 -8.63 O 14.65 -5.76 O 17.91 -15.72 O 21.54 -9.40 O 20.31 -14.42 C 15.52 -11.45 C 14.75 -8.15 C 14.24 -12.20 C 10.49 -11.45 C 19.13 -9.40 C 10.49 -10.03 C 14.34 -9.53 C 17.90 -10.03 O 11.50 -7.88 C 16.74 -13.66 C 13.95 -6.97 C 17.90 -14.32 C 16.74 -12.20 C 11.76 -12.20 C 20.31 -10.03 C 19.13 -13.66 C 12.99 -11.45 C 12.45 -6.88 C 20.31 -11.45 C 11.76 -9.31 C 17.90 -11.54 C 12.99 -10.03 C 19.13 -12.20 34 1 -1 37 2 -1 3 24 1 28 4 -2 32 5 -2 32 6 -1 33 7 -2 33 8 -1 35 9 -2 36 10 -2 11 25 2 12 26 2 29 13 -1 14 30 1 15 17 1 15 27 1 16 21 1 16 25 1 31 17 -2 18 20 1 18 28 1 19 22 1 19 29 1 20 34 1 21 36 1 22 35 1 23 32 1 23 34 1 24 26 1 24 27 2 25 32 1 26 30 1 27 35 1 28 31 1 29 33 1 30 37 1 31 36 1 33 37 1 34 36 1 35 37 1', '37 40 H 10.89 -8.86 H 19.13 -11.09 C:11 15.59 -14.42 C:15 11.76 -13.59 C:26 12.70 -5.49 C:20 11.39 -6.01 C:22 21.05 -12.67 C:26 21.74 -11.09 C:18 17.91 -12.93 C:13 12.99 -8.63 O 14.65 -5.76 O 17.91 -15.72 O 21.54 -9.40 O 20.31 -14.42 C:29 15.52 -11.45 C:35 14.75 -8.15 C:26 14.24 -12.20 C:28 10.49 -11.45 C:25 19.13 -9.40 C:31 10.49 -10.03 C:40 14.34 -9.53 C:27 17.90 -10.03 O 11.50 -7.88 C:129 16.74 -13.66 C:218 13.95 -6.97 C:200 17.90 -14.32 C:169 16.74 -12.20 C:29 11.76 -12.20 C:75 20.31 -10.03 C:35 19.13 -13.66 C:52 12.99 -11.45 C:82 12.45 -6.88 C:37 20.31 -11.45 C:82 11.76 -9.31 C:41 17.90 -11.54 C:40 12.99 -10.03 C:43 19.13 -12.20 34 1 -1 37 2 -1 3 24 1 28 4 -2 32 5 -2 32 6 -1 33 7 -2 33 8 -1 35 9 -2 36 10 -2 11 25 2 12 26 2 29 13 -1 14 30 1 15 17 1 15 27 1 16 21 1 16 25 1 31 17 -2 18 20 1 18 28 1 19 22 1 19 29 1 20 34 1 21 36 1 22 35 1 23 32 1 23 34 1 24 26 1 24 27 2 25 32 1 26 30 1 27 35 1 28 31 1 29 33 1 30 37 1 31 36 1 33 37 1 34 36 1 35 37 1', 'C30H48O5', 488.334, 'C', 'np95_1702_6', 2941, '', '', '1', 1, NULL, NULL),
(11281, 'Sodwanone I', '', 'Terpenoids', 'Triterpenoids', 'Sodwananes', '[H][C@:7]35[CH2:8][CH2:9][C@H:10]([CH3:27])[C@:11]([CH3:26])([CH2:12][CH2:13][C@:14]12O[C@H:18]([CH2:17][CH2:16][C@@H:15]1[CH3:28])[C@:19]2([CH3:29])[CH2:20][CH2:21][C:22](=O)[CH:23]([CH3:30])[CH3:31])[C@@:6]34[CH2:5][CH2:4][C@@:3](O)(O4)[C@:2]([CH3:25])([CH3:24])O5', '[H][C@]35CC[C@H](C)[C@](C)(CC[C@]12O[C@H](CC[C@@H]1C)[C@]2(C)CCC(=O)C(C)C)[C@@]34CC[C@@](O)(O4)[C@](C)(C)O5', '[H][C@:71]35[CH2:28][CH2:28][C@H:39]([CH3:15])[C@:41]([CH3:19])([CH2:25][CH2:31][C@:86]12O[C@H:82]([CH2:38][CH2:26][C@@H:50]1[CH3:14])[C@:51]2([CH3:18])[CH2:36][CH2:25][C:215](=O)[CH:41]([CH3:18])[CH3:18])[C@@:90]34[CH2:32][CH2:24][C@@:105](O)(O4)[C@:77]([CH3:19])([CH3:24])O5', '36 40 H 11.71 -9.49 C:30 17.37 -8.68 C:31 18.56 -6.58 C:27 12.58 -14.14 C:28 16.29 -14.95 C:25 13.50 -6.17 C:24 12.21 -6.67 C:29 19.74 -11.30 C:26 13.79 -13.40 O 20.96 -7.90 O 15.39 -6.42 C:21 19.80 -10.01 C:16 18.62 -14.85 C:17 19.80 -14.21 C:9 11.33 -12.02 C:20 18.62 -10.72 C:8 11.33 -10.63 C:12 14.98 -12.77 C:4 15.48 -8.78 C:13 16.22 -12.02 C:5 15.08 -10.14 O 18.62 -13.65 O 12.32 -8.52 O 13.79 -9.15 C:22 19.80 -8.62 C:23 18.56 -7.96 C:10 12.58 -12.77 C:15 17.44 -14.21 C:18 19.80 -12.77 C:2 13.25 -7.53 C:7 12.58 -9.93 C:19 18.62 -12.11 C:11 13.79 -12.02 C:3 14.71 -7.62 C:14 17.44 -12.77 C:6 13.79 -10.63 31 1 -1 2 26 1 3 26 1 27 4 -1 28 5 -2 30 6 -2 30 7 -1 32 8 -2 33 9 -2 10 25 2 34 11 -2 12 16 1 12 25 1 13 14 1 13 28 1 14 29 1 15 17 1 15 27 1 32 16 -1 17 31 1 18 20 1 33 18 -1 19 21 1 19 34 1 35 20 -2 21 36 1 29 22 -1 22 35 1 23 30 1 23 31 1 24 34 1 36 24 -1 25 26 1 27 33 1 28 35 1 29 32 1 30 34 1 31 36 1 32 35 1 33 36 1', '36 40 H 11.71 -9.49 C 17.37 -8.68 C 18.56 -6.58 C 12.58 -14.14 C 16.29 -14.95 C 13.50 -6.17 C 12.21 -6.67 C 19.74 -11.30 C 13.79 -13.40 O 20.96 -7.90 O 15.39 -6.42 C 19.80 -10.01 C 18.62 -14.85 C 19.80 -14.21 C 11.33 -12.02 C 18.62 -10.72 C 11.33 -10.63 C 14.98 -12.77 C 15.48 -8.78 C 16.22 -12.02 C 15.08 -10.14 O 18.62 -13.65 O 12.32 -8.52 O 13.79 -9.15 C 19.80 -8.62 C 18.56 -7.96 C 12.58 -12.77 C 17.44 -14.21 C 19.80 -12.77 C 13.25 -7.53 C 12.58 -9.93 C 18.62 -12.11 C 13.79 -12.02 C 14.71 -7.62 C 17.44 -12.77 C 13.79 -10.63 31 1 -1 2 26 1 3 26 1 27 4 -1 28 5 -2 30 6 -2 30 7 -1 32 8 -2 33 9 -2 10 25 2 34 11 -2 12 16 1 12 25 1 13 14 1 13 28 1 14 29 1 15 17 1 15 27 1 32 16 -1 17 31 1 18 20 1 33 18 -1 19 21 1 19 34 1 35 20 -2 21 36 1 29 22 -1 22 35 1 23 30 1 23 31 1 24 34 1 36 24 -1 25 26 1 27 33 1 28 35 1 29 32 1 30 34 1 31 36 1 32 35 1 33 36 1', '36 40 H 11.71 -9.49 C:18 17.37 -8.68 C:18 18.56 -6.58 C:15 12.58 -14.14 C:14 16.29 -14.95 C:19 13.50 -6.17 C:24 12.21 -6.67 C:18 19.74 -11.30 C:19 13.79 -13.40 O 20.96 -7.90 O 15.39 -6.42 C:25 19.80 -10.01 C:26 18.62 -14.85 C:38 19.80 -14.21 C:28 11.33 -12.02 C:36 18.62 -10.72 C:28 11.33 -10.63 C:25 14.98 -12.77 C:24 15.48 -8.78 C:31 16.22 -12.02 C:32 15.08 -10.14 O 18.62 -13.65 O 12.32 -8.52 O 13.79 -9.15 C:215 19.80 -8.62 C:41 18.56 -7.96 C:39 12.58 -12.77 C:50 17.44 -14.21 C:82 19.80 -12.77 C:77 13.25 -7.53 C:71 12.58 -9.93 C:51 18.62 -12.11 C:41 13.79 -12.02 C:105 14.71 -7.62 C:86 17.44 -12.77 C:90 13.79 -10.63 31 1 -1 2 26 1 3 26 1 27 4 -1 28 5 -2 30 6 -2 30 7 -1 32 8 -2 33 9 -2 10 25 2 34 11 -2 12 16 1 12 25 1 13 14 1 13 28 1 14 29 1 15 17 1 15 27 1 32 16 -1 17 31 1 18 20 1 33 18 -1 19 21 1 19 34 1 35 20 -2 21 36 1 29 22 -1 22 35 1 23 30 1 23 31 1 24 34 1 36 24 -1 25 26 1 27 33 1 28 35 1 29 32 1 30 34 1 31 36 1 32 35 1 33 36 1', 'C30H50O5', 490.326, 'C', 'np95_1702_7', 2941, '', '', '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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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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(11316, 'Sodwanone E', '', 'Terpenoids', 'Triterpenoids', 'Sodwananes', '[H][C@:18]45[CH2:17][CH2:16][C@H:15]([CH3:28])[C@@:14](O)([CH2:13][CH2:12][C@@H:11]1[C@H:10]([CH3:27])[CH2:9][CH2:8][C@:7]23O[C@@H:3]([CH2:4][CH2:5][C@@:6]12[CH3:26])[C@:2]([CH3:25])([CH3:24])O3)[C@:19]4([CH3:29])[CH2:20][CH2:21][C:22](=O)[C@:23]([CH3:31])([CH3:30])O5', '[H][C@]45CC[C@H](C)[C@@](O)(CC[C@@H]1[C@H](C)CC[C@]23O[C@@H](CC[C@@]12C)[C@](C)(C)O3)[C@]4(C)CCC(=O)[C@](C)(C)O5', '[H][C@:76]45[CH2:31][CH2:29][C@H:33]([CH3:16])[C@@:78](O)([CH2:35][CH2:21][C@@H:48]1[C@H:30]([CH3:15])[CH2:28][CH2:23][C@:110]23O[C@@H:81]([CH2:30][CH2:32][C@@:41]12[CH3:17])[C@:79]([CH3:28])([CH3:21])O3)[C@:46]4([CH3:14])[CH2:33][CH2:35][C:216](=O)[C@:82]([CH3:27])([CH3:20])O5', '36 40 H 19.82 -13.42 C:27 11.67 -14.18 C:28 15.43 -15.00 C:31 21.66 -10.08 C:30 21.87 -11.43 C:25 12.59 -6.18 C:24 11.30 -6.68 C:26 12.88 -9.27 C:29 17.74 -13.53 O 20.53 -8.64 O 16.57 -11.43 C:21 18.41 -9.75 C:9 10.43 -12.07 C:16 17.74 -14.89 C:4 14.60 -8.80 C:12 14.11 -12.81 C:20 17.49 -10.79 C:17 18.94 -14.25 C:5 14.21 -10.18 C:13 15.35 -12.07 C:8 10.43 -10.67 O 12.46 -8.64 O 20.22 -12.27 O 11.41 -8.53 C:22 19.82 -9.82 C:10 11.67 -12.81 C:15 16.57 -14.25 C:3 13.83 -7.65 C:11 12.88 -12.07 C:23 20.59 -10.96 C:2 12.35 -7.54 C:18 18.94 -12.81 C:6 12.88 -10.67 C:19 17.74 -12.16 C:14 16.57 -12.81 C:7 11.67 -9.97 32 1 -2 26 2 -2 27 3 -2 30 4 -1 30 5 -2 31 6 -2 31 7 -1 33 8 -2 34 9 -1 10 25 2 35 11 -2 12 17 1 12 25 1 13 21 1 13 26 1 14 18 1 14 27 1 15 19 1 15 28 1 16 20 1 29 16 -2 17 34 1 18 32 1 19 33 1 35 20 -1 21 36 1 28 22 -2 36 22 -2 23 30 1 23 32 1 24 31 1 24 36 1 25 30 1 26 29 1 27 35 1 28 31 1 29 33 1 32 34 1 33 36 1 34 35 1', '36 40 H 19.82 -13.42 C 11.67 -14.18 C 15.43 -15.00 C 21.66 -10.08 C 21.87 -11.43 C 12.59 -6.18 C 11.30 -6.68 C 12.88 -9.27 C 17.74 -13.53 O 20.53 -8.64 O 16.57 -11.43 C 18.41 -9.75 C 10.43 -12.07 C 17.74 -14.89 C 14.60 -8.80 C 14.11 -12.81 C 17.49 -10.79 C 18.94 -14.25 C 14.21 -10.18 C 15.35 -12.07 C 10.43 -10.67 O 12.46 -8.64 O 20.22 -12.27 O 11.41 -8.53 C 19.82 -9.82 C 11.67 -12.81 C 16.57 -14.25 C 13.83 -7.65 C 12.88 -12.07 C 20.59 -10.96 C 12.35 -7.54 C 18.94 -12.81 C 12.88 -10.67 C 17.74 -12.16 C 16.57 -12.81 C 11.67 -9.97 32 1 -2 26 2 -2 27 3 -2 30 4 -1 30 5 -2 31 6 -2 31 7 -1 33 8 -2 34 9 -1 10 25 2 35 11 -2 12 17 1 12 25 1 13 21 1 13 26 1 14 18 1 14 27 1 15 19 1 15 28 1 16 20 1 29 16 -2 17 34 1 18 32 1 19 33 1 35 20 -1 21 36 1 28 22 -2 36 22 -2 23 30 1 23 32 1 24 31 1 24 36 1 25 30 1 26 29 1 27 35 1 28 31 1 29 33 1 32 34 1 33 36 1 34 35 1', '36 40 H 19.82 -13.42 C:15 11.67 -14.18 C:16 15.43 -15.00 C:27 21.66 -10.08 C:20 21.87 -11.43 C:28 12.59 -6.18 C:21 11.30 -6.68 C:17 12.88 -9.27 C:14 17.74 -13.53 O 20.53 -8.64 O 16.57 -11.43 C:35 18.41 -9.75 C:28 10.43 -12.07 C:29 17.74 -14.89 C:30 14.60 -8.80 C:21 14.11 -12.81 C:33 17.49 -10.79 C:31 18.94 -14.25 C:32 14.21 -10.18 C:35 15.35 -12.07 C:23 10.43 -10.67 O 12.46 -8.64 O 20.22 -12.27 O 11.41 -8.53 C:216 19.82 -9.82 C:30 11.67 -12.81 C:33 16.57 -14.25 C:81 13.83 -7.65 C:48 12.88 -12.07 C:82 20.59 -10.96 C:79 12.35 -7.54 C:76 18.94 -12.81 C:41 12.88 -10.67 C:46 17.74 -12.16 C:78 16.57 -12.81 C:110 11.67 -9.97 32 1 -2 26 2 -2 27 3 -2 30 4 -1 30 5 -2 31 6 -2 31 7 -1 33 8 -2 34 9 -1 10 25 2 35 11 -2 12 17 1 12 25 1 13 21 1 13 26 1 14 18 1 14 27 1 15 19 1 15 28 1 16 20 1 29 16 -2 17 34 1 18 32 1 19 33 1 35 20 -1 21 36 1 28 22 -2 36 22 -2 23 30 1 23 32 1 24 31 1 24 36 1 25 30 1 26 29 1 27 35 1 28 31 1 29 33 1 32 34 1 33 36 1 34 35 1', 'C30H50O5', 490.326, 'C', 'np97_700_2', 2949, '', '', '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
(11317, 'Sodwanone M', '', 'Terpenoids', 'Triterpenoids', 'Sodwananes', '[H][C@:18]45[CH2:17][CH2:16][C@H:15]([CH3:28])[C@@:14](O)([CH2:13][CH2:12][C@@:11]1([CH3:26])[C@H:10]([CH3:27])[CH2:9][CH2:8][C@:7]23O[C@@H:3]([CH2:4][CH2:5][CH:6]12)[C@@:2]([CH3:24])([CH3:25])O3)[C@:19]4([CH3:29])[CH2:20][CH2:21][C:22](=O)[C@@:23]([CH3:30])([CH3:31])O5', '[H][C@]45CC[C@H](C)[C@@](O)(CC[C@@]1(C)[C@H](C)CC[C@]23O[C@@H](CCC12)[C@@](C)(C)O3)[C@]4(C)CCC(=O)[C@@](C)(C)O5', '[H][C@:76]45[CH2:30][CH2:29][C@H:36]([CH3:16])[C@@:77](O)([CH2:33][CH2:31][C@@:40]1([CH3:21])[C@H:34]([CH3:14])[CH2:26][CH2:28][C@:109]23O[C@@H:81]([CH2:23][CH2:17][CH:41]12)[C@@:79]([CH3:21])([CH3:29])O3)[C@:46]4([CH3:14])[CH2:33][CH2:35][C:219](=O)[C@@:82]([CH3:20])([CH3:27])O5', '36 40 H 19.81 -13.43 C:27 11.69 -14.19 C:28 15.43 -15.00 C:30 21.84 -11.45 C:31 21.64 -10.10 C:24 11.32 -6.71 C:25 12.60 -6.21 C:26 12.89 -13.68 C:29 17.74 -13.54 O 20.52 -8.67 O 16.57 -11.45 C:21 18.40 -9.77 C:4 14.61 -8.83 C:16 17.74 -14.90 C:9 10.45 -12.08 C:5 14.22 -10.20 C:20 17.49 -10.81 C:17 18.93 -14.26 C:12 14.12 -12.82 C:8 10.45 -10.69 C:13 15.35 -12.08 O 12.47 -8.67 O 20.21 -12.28 O 11.43 -8.56 C:22 19.81 -9.84 C:10 11.69 -12.82 C:15 16.57 -14.26 C:3 13.84 -7.68 C:6 12.89 -10.69 C:23 20.58 -10.98 C:2 12.36 -7.57 C:18 18.93 -12.82 C:11 12.89 -12.08 C:19 17.74 -12.17 C:14 16.57 -12.82 C:7 11.69 -9.99 32 1 -2 26 2 -2 27 3 -2 30 4 -2 30 5 -1 31 6 -1 31 7 -2 33 8 -2 34 9 -1 10 25 2 35 11 -2 12 17 1 12 25 1 13 16 1 13 28 1 14 18 1 14 27 1 15 20 1 15 26 1 16 29 1 17 34 1 18 32 1 19 21 1 33 19 -1 20 36 1 35 21 -1 28 22 -2 36 22 -2 23 30 1 23 32 1 24 31 1 24 36 1 25 30 1 26 33 1 27 35 1 28 31 1 29 33 1 29 36 1 32 34 1 34 35 1', '36 40 H 19.81 -13.43 C 11.69 -14.19 C 15.43 -15.00 C 21.84 -11.45 C 21.64 -10.10 C 11.32 -6.71 C 12.60 -6.21 C 12.89 -13.68 C 17.74 -13.54 O 20.52 -8.67 O 16.57 -11.45 C 18.40 -9.77 C 14.61 -8.83 C 17.74 -14.90 C 10.45 -12.08 C 14.22 -10.20 C 17.49 -10.81 C 18.93 -14.26 C 14.12 -12.82 C 10.45 -10.69 C 15.35 -12.08 O 12.47 -8.67 O 20.21 -12.28 O 11.43 -8.56 C 19.81 -9.84 C 11.69 -12.82 C 16.57 -14.26 C 13.84 -7.68 C 12.89 -10.69 C 20.58 -10.98 C 12.36 -7.57 C 18.93 -12.82 C 12.89 -12.08 C 17.74 -12.17 C 16.57 -12.82 C 11.69 -9.99 32 1 -2 26 2 -2 27 3 -2 30 4 -2 30 5 -1 31 6 -1 31 7 -2 33 8 -2 34 9 -1 10 25 2 35 11 -2 12 17 1 12 25 1 13 16 1 13 28 1 14 18 1 14 27 1 15 20 1 15 26 1 16 29 1 17 34 1 18 32 1 19 21 1 33 19 -1 20 36 1 35 21 -1 28 22 -2 36 22 -2 23 30 1 23 32 1 24 31 1 24 36 1 25 30 1 26 33 1 27 35 1 28 31 1 29 33 1 29 36 1 32 34 1 34 35 1', '36 40 H 19.81 -13.43 C:14 11.69 -14.19 C:16 15.43 -15.00 C:20 21.84 -11.45 C:27 21.64 -10.10 C:21 11.32 -6.71 C:29 12.60 -6.21 C:21 12.89 -13.68 C:14 17.74 -13.54 O 20.52 -8.67 O 16.57 -11.45 C:35 18.40 -9.77 C:23 14.61 -8.83 C:29 17.74 -14.90 C:26 10.45 -12.08 C:17 14.22 -10.20 C:33 17.49 -10.81 C:30 18.93 -14.26 C:31 14.12 -12.82 C:28 10.45 -10.69 C:33 15.35 -12.08 O 12.47 -8.67 O 20.21 -12.28 O 11.43 -8.56 C:219 19.81 -9.84 C:34 11.69 -12.82 C:36 16.57 -14.26 C:81 13.84 -7.68 C:41 12.89 -10.69 C:82 20.58 -10.98 C:79 12.36 -7.57 C:76 18.93 -12.82 C:40 12.89 -12.08 C:46 17.74 -12.17 C:77 16.57 -12.82 C:109 11.69 -9.99 32 1 -2 26 2 -2 27 3 -2 30 4 -2 30 5 -1 31 6 -1 31 7 -2 33 8 -2 34 9 -1 10 25 2 35 11 -2 12 17 1 12 25 1 13 16 1 13 28 1 14 18 1 14 27 1 15 20 1 15 26 1 16 29 1 17 34 1 18 32 1 19 21 1 33 19 -1 20 36 1 35 21 -1 28 22 -2 36 22 -2 23 30 1 23 32 1 24 31 1 24 36 1 25 30 1 26 33 1 27 35 1 28 31 1 29 33 1 29 36 1 32 34 1 34 35 1', 'C30H50O5', 490.326, 'C', 'np97_700_4', 2949, '', '', '1', 1, NULL, NULL),
(11318, 'Sodwanone K', '', 'Terpenoids', 'Triterpenoids', 'Sodwananes', '[H][C@:7]34[CH2:8][CH2:9][C:10](=[CH2:27])[C@@H:11]([CH2:12][CH2:13][C@:14]2(O)[C@@H:15]([CH3:28])[CH2:16][CH2:17][C@:18]1([H])O[C@@:23]([CH3:31])([CH3:30])[C:22](=O)[CH2:21][CH2:20][C@:19]12[CH3:29])[C@:6]3([CH3:26])[CH2:5][CH2:4][C@H:3](O)[C@:2]([CH3:25])([CH3:24])O4', '[H][C@]34CCC(=C)[C@@H](CC[C@]2(O)[C@@H](C)CC[C@]1([H])O[C@@](C)(C)C(=O)CC[C@]12C)[C@]3(C)CC[C@H](O)[C@](C)(C)O4', '[H][C@:76]34[CH2:33][CH2:36][C:145](=[CH2:107])[C@@H:55]([CH2:20][CH2:36][C@:78]2(O)[C@@H:34]([CH3:16])[CH2:28][CH2:30][C@:76]1([H])O[C@@:82]([CH3:28])([CH3:20])[C:218](=O)[CH2:35][CH2:33][C@:46]12[CH3:14])[C@:44]3([CH3:12])[CH2:34][CH2:26][C@H:77](O)[C@:81]([CH3:28])([CH3:21])O4', '37 40 H 10.70 -9.51 H 19.85 -13.46 C:27 11.57 -14.24 C:28 15.39 -15.07 C:31 21.72 -10.07 C:30 21.94 -11.44 C:25 12.51 -6.11 C:24 11.20 -6.62 C:26 12.80 -9.25 C:29 17.74 -13.58 O 20.57 -8.61 O 14.46 -6.37 O 16.55 -11.44 C:9 10.31 -12.09 C:21 18.42 -9.74 C:16 17.74 -14.96 C:4 14.55 -8.77 C:12 14.05 -12.84 C:8 10.31 -10.67 C:20 17.49 -10.79 C:17 18.96 -14.31 C:5 14.15 -10.17 C:13 15.31 -12.09 O 20.26 -12.30 O 11.31 -8.50 C:10 11.57 -12.84 C:22 19.85 -9.81 C:15 16.55 -14.31 C:3 13.77 -7.60 C:11 12.80 -12.09 C:23 20.63 -10.96 C:2 12.26 -7.49 C:7 11.57 -9.96 C:18 18.96 -12.84 C:6 12.80 -10.67 C:19 17.74 -12.18 C:14 16.55 -12.84 33 1 -1 34 2 -2 3 26 2 28 4 -2 31 5 -1 31 6 -2 32 7 -2 32 8 -1 35 9 -2 36 10 -1 11 27 2 29 12 -1 37 13 -2 14 19 1 14 26 1 15 20 1 15 27 1 16 21 1 16 28 1 17 22 1 17 29 1 18 23 1 30 18 -2 19 33 1 20 36 1 21 34 1 22 35 1 37 23 -1 24 31 1 24 34 1 25 32 1 25 33 1 26 30 1 27 31 1 28 37 1 29 32 1 30 35 1 33 35 1 34 36 1 36 37 1', '37 40 H 10.70 -9.51 H 19.85 -13.46 C 11.57 -14.24 C 15.39 -15.07 C 21.72 -10.07 C 21.94 -11.44 C 12.51 -6.11 C 11.20 -6.62 C 12.80 -9.25 C 17.74 -13.58 O 20.57 -8.61 O 14.46 -6.37 O 16.55 -11.44 C 10.31 -12.09 C 18.42 -9.74 C 17.74 -14.96 C 14.55 -8.77 C 14.05 -12.84 C 10.31 -10.67 C 17.49 -10.79 C 18.96 -14.31 C 14.15 -10.17 C 15.31 -12.09 O 20.26 -12.30 O 11.31 -8.50 C 11.57 -12.84 C 19.85 -9.81 C 16.55 -14.31 C 13.77 -7.60 C 12.80 -12.09 C 20.63 -10.96 C 12.26 -7.49 C 11.57 -9.96 C 18.96 -12.84 C 12.80 -10.67 C 17.74 -12.18 C 16.55 -12.84 33 1 -1 34 2 -2 3 26 2 28 4 -2 31 5 -1 31 6 -2 32 7 -2 32 8 -1 35 9 -2 36 10 -1 11 27 2 29 12 -1 37 13 -2 14 19 1 14 26 1 15 20 1 15 27 1 16 21 1 16 28 1 17 22 1 17 29 1 18 23 1 30 18 -2 19 33 1 20 36 1 21 34 1 22 35 1 37 23 -1 24 31 1 24 34 1 25 32 1 25 33 1 26 30 1 27 31 1 28 37 1 29 32 1 30 35 1 33 35 1 34 36 1 36 37 1', '37 40 H 10.70 -9.51 H 19.85 -13.46 C:107 11.57 -14.24 C:16 15.39 -15.07 C:28 21.72 -10.07 C:20 21.94 -11.44 C:28 12.51 -6.11 C:21 11.20 -6.62 C:12 12.80 -9.25 C:14 17.74 -13.58 O 20.57 -8.61 O 14.46 -6.37 O 16.55 -11.44 C:36 10.31 -12.09 C:35 18.42 -9.74 C:28 17.74 -14.96 C:26 14.55 -8.77 C:20 14.05 -12.84 C:33 10.31 -10.67 C:33 17.49 -10.79 C:30 18.96 -14.31 C:34 14.15 -10.17 C:36 15.31 -12.09 O 20.26 -12.30 O 11.31 -8.50 C:145 11.57 -12.84 C:218 19.85 -9.81 C:34 16.55 -14.31 C:77 13.77 -7.60 C:55 12.80 -12.09 C:82 20.63 -10.96 C:81 12.26 -7.49 C:76 11.57 -9.96 C:76 18.96 -12.84 C:44 12.80 -10.67 C:46 17.74 -12.18 C:78 16.55 -12.84 33 1 -1 34 2 -2 3 26 2 28 4 -2 31 5 -1 31 6 -2 32 7 -2 32 8 -1 35 9 -2 36 10 -1 11 27 2 29 12 -1 37 13 -2 14 19 1 14 26 1 15 20 1 15 27 1 16 21 1 16 28 1 17 22 1 17 29 1 18 23 1 30 18 -2 19 33 1 20 36 1 21 34 1 22 35 1 37 23 -1 24 31 1 24 34 1 25 32 1 25 33 1 26 30 1 27 31 1 28 37 1 29 32 1 30 35 1 33 35 1 34 36 1 36 37 1', 'C30H50O5', 490.334, 'C', 'np97_700_5', 2949, '', '', '1', 1, NULL, NULL),
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-14.68 C 9.39 -11.89 C 8.17 -12.58 C 13.04 -12.58 C 19.19 -6.23 C 17.96 -9.78 C 14.28 -11.89 C 15.47 -9.78 C 19.19 -7.60 C 16.74 -10.49 C 14.28 -10.49 C 20.40 -8.32 62 1 -2 63 2 -2 64 3 -1 43 4 -1 44 5 -2 59 6 -2 59 7 -1 60 8 -1 61 9 -2 65 10 -1 66 11 -1 12 41 2 13 24 1 45 14 -1 46 15 -1 47 16 -2 48 17 -1 49 18 -2 50 19 -1 51 20 -2 52 21 -2 60 22 -2 23 27 1 23 42 2 53 24 -1 25 29 1 25 43 1 26 28 1 26 54 1 27 63 1 28 66 1 29 67 1 30 33 1 30 61 1 31 32 1 31 62 1 32 65 1 33 67 1 34 35 1 34 45 1 35 57 1 36 41 1 55 36 -1 37 44 1 37 56 1 38 53 1 38 55 1 54 39 -1 57 39 -1 56 40 -1 58 40 -2 67 41 -1 42 61 1 42 64 1 43 60 1 44 46 1 45 50 1 46 47 1 47 52 1 48 49 1 48 51 1 49 53 1 50 58 1 51 55 1 52 56 1 54 59 1 57 58 1 59 62 1 60 64 1 61 65 1 62 66 1 63 65 1 63 66 1 64 67 1', '67 74 H 14.28 -13.01 H 15.47 -10.79 H 19.19 -8.83 C:16 20.40 -4.05 C:19 3.39 -13.98 C:28 13.87 -13.80 C:17 12.11 -13.80 C:30 18.48 -5.00 C:24 17.96 -11.17 C:18 16.74 -9.04 C:16 14.28 -9.04 O 21.60 -10.43 O 23.99 -13.21 O 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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
(11332, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@@:4]([CH3:23])([CH3:24])[C@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@](C)(C)C[C@@]12[H])[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@@](C)(C)[C@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:130][C@:84]13O[CH2:72][C@@:46]2([CH2:25][CH2:34][C@:32]([CH3:34])([CH3:24])[CH2:38][C@@:52]12[H])[C@H:64](O)[CH2:36][C@@:46]3([CH3:21])[C@:42]4([CH3:20])[CH2:32][CH2:18][C@@:54]6([H])[C@@:39]([CH3:28])([CH3:16])[C@H:79](O)[CH2:27][CH2:39][C@:36]56[CH3:18]', '36 41 H 14.39 -12.81 H 13.11 -15.05 H 18.07 -10.96 C:29 20.12 -6.36 C:30 18.50 -6.35 C:23 12.59 -15.92 C:24 11.09 -15.87 C:25 13.11 -11.09 C:26 15.60 -11.09 C:27 16.85 -13.25 O 9.47 -14.71 O 20.50 -12.50 C:11 14.36 -10.37 C:12 15.61 -9.68 C:2 10.66 -12.53 C:21 20.53 -8.27 C:1 11.87 -11.80 C:6 14.36 -14.69 C:7 15.61 -13.98 C:22 20.53 -9.68 C:28 18.89 -9.04 C:15 18.07 -12.53 C:19 18.07 -8.27 O 17.25 -9.04 C:3 10.66 -13.98 C:16 19.29 -11.80 C:20 19.29 -7.54 C:4 11.87 -14.69 C:9 14.36 -11.80 C:5 13.11 -13.98 C:18 18.07 -9.68 C:10 13.11 -12.53 C:8 15.61 -12.53 C:14 16.83 -11.80 C:13 16.83 -10.37 C:17 19.29 -10.37 29 1 -2 30 2 -2 31 3 -1 27 4 -2 27 5 -1 28 6 -2 28 7 -1 32 8 -1 33 9 -1 34 10 -2 25 11 -2 26 12 -2 13 14 2 13 29 1 14 35 1 15 17 1 15 25 1 16 20 1 16 27 1 17 32 1 18 19 1 18 30 1 19 33 1 20 36 1 21 24 1 36 21 -1 22 26 1 22 34 1 23 27 1 23 31 1 35 24 -1 25 28 1 26 36 1 28 30 1 29 32 1 29 33 1 30 32 1 31 35 1 31 36 1 33 34 1 34 35 1', '36 41 H 14.39 -12.81 H 13.11 -15.05 H 18.07 -10.96 C 20.12 -6.36 C 18.50 -6.35 C 12.59 -15.92 C 11.09 -15.87 C 13.11 -11.09 C 15.60 -11.09 C 16.85 -13.25 O 9.47 -14.71 O 20.50 -12.50 C 14.36 -10.37 C 15.61 -9.68 C 10.66 -12.53 C 20.53 -8.27 C 11.87 -11.80 C 14.36 -14.69 C 15.61 -13.98 C 20.53 -9.68 C 18.89 -9.04 C 18.07 -12.53 C 18.07 -8.27 O 17.25 -9.04 C 10.66 -13.98 C 19.29 -11.80 C 19.29 -7.54 C 11.87 -14.69 C 14.36 -11.80 C 13.11 -13.98 C 18.07 -9.68 C 13.11 -12.53 C 15.61 -12.53 C 16.83 -11.80 C 16.83 -10.37 C 19.29 -10.37 29 1 -2 30 2 -2 31 3 -1 27 4 -2 27 5 -1 28 6 -2 28 7 -1 32 8 -1 33 9 -1 34 10 -2 25 11 -2 26 12 -2 13 14 2 13 29 1 14 35 1 15 17 1 15 25 1 16 20 1 16 27 1 17 32 1 18 19 1 18 30 1 19 33 1 20 36 1 21 24 1 36 21 -1 22 26 1 22 34 1 23 27 1 23 31 1 35 24 -1 25 28 1 26 36 1 28 30 1 29 32 1 29 33 1 30 32 1 31 35 1 31 36 1 33 34 1 34 35 1', '36 41 H 14.39 -12.81 H 13.11 -15.05 H 18.07 -10.96 C:34 20.12 -6.36 C:24 18.50 -6.35 C:28 12.59 -15.92 C:16 11.09 -15.87 C:18 13.11 -11.09 C:20 15.60 -11.09 C:21 16.85 -13.25 O 9.47 -14.71 O 20.50 -12.50 C:133 14.36 -10.37 C:130 15.61 -9.68 C:27 10.66 -12.53 C:34 20.53 -8.27 C:39 11.87 -11.80 C:18 14.36 -14.69 C:32 15.61 -13.98 C:25 20.53 -9.68 C:72 18.89 -9.04 C:36 18.07 -12.53 C:38 18.07 -8.27 O 17.25 -9.04 C:79 10.66 -13.98 C:64 19.29 -11.80 C:32 19.29 -7.54 C:39 11.87 -14.69 C:53 14.36 -11.80 C:54 13.11 -13.98 C:52 18.07 -9.68 C:36 13.11 -12.53 C:42 15.61 -12.53 C:46 16.83 -11.80 C:84 16.83 -10.37 C:46 19.29 -10.37 29 1 -2 30 2 -2 31 3 -1 27 4 -2 27 5 -1 28 6 -2 28 7 -1 32 8 -1 33 9 -1 34 10 -2 25 11 -2 26 12 -2 13 14 2 13 29 1 14 35 1 15 17 1 15 25 1 16 20 1 16 27 1 17 32 1 18 19 1 18 30 1 19 33 1 20 36 1 21 24 1 36 21 -1 22 26 1 22 34 1 23 27 1 23 31 1 35 24 -1 25 28 1 26 36 1 28 30 1 29 32 1 29 33 1 30 32 1 31 35 1 31 36 1 33 34 1 34 35 1', 'C30H48O3', 456.343, '', 'Rv-158', 1412, 'Sin contrastar con datos bibliografÌa', 'øLe falta carbonilo en 28?', '1', 1, NULL, NULL),
(11333, '', '6β-Hydroxyvouacapane', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@@:8]24[CH2:7][C@@H:6](O)[C@@:5]1([H])[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][c:12]3o[cH:16][cH:15][c:13]3[C@@H:14]4[CH3:17]', '[H][C@@]24C[C@@H](O)[C@@]1([H])[C@@](C)(C)CCC[C@]1(C)[C@@]2([H])Cc3occc3[C@@H]4C', '[H][C@@:38]24[CH2:43][C@@H:68](O)[C@@:57]1([H])[C@@:34]([CH3:31])([CH3:31])[CH2:44][CH2:19][CH2:41][C@:41]1([CH3:24])[C@@:46]2([H])[CH2:22][c:150]3o[cH:140][cH:109][c:122]3[C@@H:31]4[CH3:18]', '25 28 H 16.86 -10.57 H 15.59 -11.88 H 14.34 -14.07 C:17 19.34 -11.60 C:19 12.02 -14.74 C:18 14.06 -14.84 C:20 14.34 -10.16 O 15.57 -15.19 C:16 18.56 -7.13 C:15 19.17 -8.44 C:2 11.83 -11.60 C:3 11.83 -13.05 C:1 13.07 -10.87 C:11 15.59 -9.40 C:7 16.86 -13.05 O 17.14 -7.29 C:13 18.09 -9.40 C:12 16.86 -8.70 C:14 18.09 -10.87 C:6 15.59 -13.79 C:4 13.07 -13.79 C:8 16.86 -11.60 C:9 15.59 -10.87 C:10 14.34 -11.60 C:5 14.34 -13.05 22 1 -1 23 2 -2 25 3 -2 19 4 -2 21 5 -1 21 6 -2 24 7 -1 20 8 -1 9 10 2 9 16 1 10 17 1 11 12 1 11 13 1 12 21 1 13 24 1 14 18 1 14 23 1 15 20 1 15 22 1 16 18 1 17 18 2 17 19 1 19 22 1 20 25 1 21 25 1 22 23 1 23 24 1 24 25 1', '25 28 H 16.86 -10.57 H 15.59 -11.88 H 14.34 -14.07 C 19.34 -11.60 C 12.02 -14.74 C 14.06 -14.84 C 14.34 -10.16 O 15.57 -15.19 C 18.56 -7.13 C 19.17 -8.44 C 11.83 -11.60 C 11.83 -13.05 C 13.07 -10.87 C 15.59 -9.40 C 16.86 -13.05 O 17.14 -7.29 C 18.09 -9.40 C 16.86 -8.70 C 18.09 -10.87 C 15.59 -13.79 C 13.07 -13.79 C 16.86 -11.60 C 15.59 -10.87 C 14.34 -11.60 C 14.34 -13.05 22 1 -1 23 2 -2 25 3 -2 19 4 -2 21 5 -1 21 6 -2 24 7 -1 20 8 -1 9 10 2 9 16 1 10 17 1 11 12 1 11 13 1 12 21 1 13 24 1 14 18 1 14 23 1 15 20 1 15 22 1 16 18 1 17 18 2 17 19 1 19 22 1 20 25 1 21 25 1 22 23 1 23 24 1 24 25 1', '25 28 H 16.86 -10.57 H 15.59 -11.88 H 14.34 -14.07 C:18 19.34 -11.60 C:31 12.02 -14.74 C:31 14.06 -14.84 C:24 14.34 -10.16 O 15.57 -15.19 C:140 18.56 -7.13 C:109 19.17 -8.44 C:19 11.83 -11.60 C:44 11.83 -13.05 C:41 13.07 -10.87 C:22 15.59 -9.40 C:43 16.86 -13.05 O 17.14 -7.29 C:122 18.09 -9.40 C:150 16.86 -8.70 C:31 18.09 -10.87 C:68 15.59 -13.79 C:34 13.07 -13.79 C:38 16.86 -11.60 C:46 15.59 -10.87 C:41 14.34 -11.60 C:57 14.34 -13.05 22 1 -1 23 2 -2 25 3 -2 19 4 -2 21 5 -1 21 6 -2 24 7 -1 20 8 -1 9 10 2 9 16 1 10 17 1 11 12 1 11 13 1 12 21 1 13 24 1 14 18 1 14 23 1 15 20 1 15 22 1 16 18 1 17 18 2 17 19 1 19 22 1 20 25 1 21 25 1 22 23 1 23 24 1 24 25 1', 'C20H30O2', 302.237, 'C', 'ph35_1499_6', 1511, '', '', '1', 1, NULL, NULL),
(11334, 'Acetylsanadaol', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:20]=[C:6]1[CH2:5][CH2:4][C@@H:3]([CH:10]([CH3:17])[CH2:11][CH2:12][CH:13]=[C:14]([CH3:15])[CH3:16])[C@@H:2]2[C:1]([CH:19]=O)=[CH:9][CH2:8][C@H:7]1[C@H:18]2O[C:18001]([CH3:18002])=O', 'C=C1CC[C@@H](C(C)CCC=C(C)C)[C@@H]2C(C=O)=CC[C@H]1[C@H]2OC(C)=O', '[CH2:115]=[C:143]1[CH2:30][CH2:36][C@@H:40]([CH:6]([CH3:17])[CH2:25][CH2:25][CH:125]=[C:131]([CH3:18])[CH3:26])[C@@H:37]2[C:147]([CH:193]=O)=[CH:150][CH2:33][C@H:42]1[C@H:72]2O[C:169]([CH3:21])=O', '25 26 C:20 19.84 -10.62 C:16 12.09 -6.09 C:15 10.93 -8.08 C:18002 18.44 -16.24 C:17 13.24 -12.04 O 14.31 -15.49 O 20.17 -14.69 C:19 15.71 -15.51 C:13 13.24 -8.08 C:9 17.68 -14.62 C:12 13.24 -9.41 C:8 18.83 -13.96 C:5 17.68 -10.81 C:11 14.37 -10.06 C:4 16.38 -11.03 O 17.60 -13.73 C:14 12.09 -7.42 C:18001 18.78 -14.88 C:6 18.83 -11.47 C:1 16.38 -14.38 C:10 14.37 -11.39 C:7 19.27 -12.71 C:3 15.53 -12.04 C:18 17.34 -12.36 C:2 15.53 -13.37 1 19 2 2 17 1 3 17 1 4 18 1 5 21 1 6 8 2 7 18 2 8 20 1 9 11 1 9 17 2 10 12 1 10 20 2 11 14 1 12 22 1 13 15 1 13 19 1 14 21 1 15 23 1 16 18 1 24 16 -1 19 22 1 20 25 1 23 21 -2 22 24 -1 23 25 1 25 24 -1', '25 26 C 19.84 -10.62 C 12.09 -6.09 C 10.93 -8.08 C 18.44 -16.24 C 13.24 -12.04 O 14.31 -15.49 O 20.17 -14.69 C 15.71 -15.51 C 13.24 -8.08 C 17.68 -14.62 C 13.24 -9.41 C 18.83 -13.96 C 17.68 -10.81 C 14.37 -10.06 C 16.38 -11.03 O 17.60 -13.73 C 12.09 -7.42 C 18.78 -14.88 C 18.83 -11.47 C 16.38 -14.38 C 14.37 -11.39 C 19.27 -12.71 C 15.53 -12.04 C 17.34 -12.36 C 15.53 -13.37 1 19 2 2 17 1 3 17 1 4 18 1 5 21 1 6 8 2 7 18 2 8 20 1 9 11 1 9 17 2 10 12 1 10 20 2 11 14 1 12 22 1 13 15 1 13 19 1 14 21 1 15 23 1 16 18 1 24 16 -1 19 22 1 20 25 1 23 21 -2 22 24 -1 23 25 1 25 24 -1', '25 26 C:115 19.84 -10.62 C:26 12.09 -6.09 C:18 10.93 -8.08 C:21 18.44 -16.24 C:17 13.24 -12.04 O 14.31 -15.49 O 20.17 -14.69 C:193 15.71 -15.51 C:125 13.24 -8.08 C:150 17.68 -14.62 C:25 13.24 -9.41 C:33 18.83 -13.96 C:30 17.68 -10.81 C:25 14.37 -10.06 C:36 16.38 -11.03 O 17.60 -13.73 C:131 12.09 -7.42 C:169 18.78 -14.88 C:143 18.83 -11.47 C:147 16.38 -14.38 C:6 14.37 -11.39 C:42 19.27 -12.71 C:40 15.53 -12.04 C:72 17.34 -12.36 C:37 15.53 -13.37 1 19 2 2 17 1 3 17 1 4 18 1 5 21 1 6 8 2 7 18 2 8 20 1 9 11 1 9 17 2 10 12 1 10 20 2 11 14 1 12 22 1 13 15 1 13 19 1 14 21 1 15 23 1 16 18 1 24 16 -1 19 22 1 20 25 1 23 21 -2 22 24 -1 23 25 1 25 24 -1', 'C22H32O3', 344.234, 'C', 'ph65_2025_5', 2067, '', '', '1', 1, NULL, NULL),
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(11344, '', '12R,15-Dihydroxylabda-8(17),13Z-dien-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][C@@H:12](O)[C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](C[C@@H](O)C(C)=CCO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:58]12[CH2:28][CH2:40][C:151](=[CH2:107])[C@H:54]([CH2:32][C@@H:69](O)[C:143]([CH3:19])=[CH:127][CH2:59]O)[C@@:42]1([CH3:14])[CH2:41][CH2:22][CH2:40][C@:46]2([CH3:30])[C:182](=O)O', '25 26 H 14.31 -13.74 C:17 18.00 -10.65 C:16 15.54 -6.40 C:18 14.03 -14.55 C:20 14.31 -9.94 O 12.55 -15.88 O 20.43 -6.38 O 10.76 -14.24 O 17.99 -9.22 C:14 18.00 -6.40 C:15 19.22 -7.09 C:2 11.85 -11.37 C:7 16.78 -12.79 C:3 11.85 -12.79 C:1 13.08 -10.65 C:6 15.54 -13.50 C:11 15.54 -9.22 C:8 16.78 -11.37 C:13 16.78 -7.11 C:19 12.13 -14.54 C:12 16.78 -8.52 C:9 15.54 -10.65 C:5 14.31 -12.79 C:4 13.08 -13.50 C:10 14.31 -11.37 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 19 2 12 14 1 12 15 1 13 16 1 13 18 1 14 24 1 15 25 1 16 23 1 17 21 1 22 17 -1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.31 -13.74 C 18.00 -10.65 C 15.54 -6.40 C 14.03 -14.55 C 14.31 -9.94 O 12.55 -15.88 O 20.43 -6.38 O 10.76 -14.24 O 17.99 -9.22 C 18.00 -6.40 C 19.22 -7.09 C 11.85 -11.37 C 16.78 -12.79 C 11.85 -12.79 C 13.08 -10.65 C 15.54 -13.50 C 15.54 -9.22 C 16.78 -11.37 C 16.78 -7.11 C 12.13 -14.54 C 16.78 -8.52 C 15.54 -10.65 C 14.31 -12.79 C 13.08 -13.50 C 14.31 -11.37 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 19 2 12 14 1 12 15 1 13 16 1 13 18 1 14 24 1 15 25 1 16 23 1 17 21 1 22 17 -1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.31 -13.74 C:107 18.00 -10.65 C:19 15.54 -6.40 C:30 14.03 -14.55 C:14 14.31 -9.94 O 12.55 -15.88 O 20.43 -6.38 O 10.76 -14.24 O 17.99 -9.22 C:127 18.00 -6.40 C:59 19.22 -7.09 C:22 11.85 -11.37 C:40 16.78 -12.79 C:40 11.85 -12.79 C:41 13.08 -10.65 C:28 15.54 -13.50 C:32 15.54 -9.22 C:151 16.78 -11.37 C:143 16.78 -7.11 C:182 12.13 -14.54 C:69 16.78 -8.52 C:54 15.54 -10.65 C:58 14.31 -12.79 C:46 13.08 -13.50 C:42 14.31 -11.37 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 19 2 12 14 1 12 15 1 13 16 1 13 18 1 14 24 1 15 25 1 16 23 1 17 21 1 22 17 -1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'M+M', 'ph69_518_3d', 2420, '', '', '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
(11345, 'Elisabanolide', '', 'Terpenoids', 'Diterpenoids', 'Elisabethanes', '[H][C@:6]14[CH2:5][CH2:4][C@H:3]([CH3:18])[C:2](=O)[C@:1]13[C:14](=O)[C@@:15]2([CH3:17])[C:16](=O)O[C@@:11]([CH3:13])([CH3:12])[C@@:10]2([H])[C@:9]3([H])[CH2:8][C@@H:7]4[CH3:19]', '[H][C@]14CC[C@H](C)C(=O)[C@]13C(=O)[C@@]2(C)C(=O)O[C@@](C)(C)[C@@]2([H])[C@]3([H])C[C@@H]4C', '[H][C@:54]14[CH2:27][CH2:29][C@H:45]([CH3:19])[C:209](=O)[C@:77]13[C:207](=O)[C@@:62]2([CH3:23])[C:172](=O)O[C@@:84]([CH3:32])([CH3:25])[C@@:58]2([H])[C@:43]3([H])[CH2:44][C@@H:43]4[CH3:17]', '26 29 H 18.59 -10.70 H 16.23 -10.32 H 15.01 -8.84 C:18 18.59 -14.09 C:19 19.28 -7.08 C:13 12.39 -8.82 C:12 14.10 -8.18 C:17 15.01 -12.77 O 13.21 -13.13 O 18.59 -11.33 O 16.80 -12.91 C:4 19.85 -11.89 C:5 19.85 -10.41 C:8 16.80 -8.04 O 12.82 -10.62 C:16 13.66 -11.77 C:2 17.31 -11.89 C:14 16.39 -11.57 C:3 18.59 -12.62 C:7 18.29 -8.18 C:11 13.66 -9.46 C:6 18.59 -9.64 C:9 16.23 -9.31 C:15 15.01 -11.37 C:10 15.01 -9.86 C:1 17.31 -10.41 22 1 -2 23 2 -1 25 3 -2 19 4 -2 20 5 -2 21 6 -2 21 7 -1 24 8 -2 9 16 2 10 17 2 11 18 2 12 13 1 12 19 1 13 22 1 14 20 1 14 23 1 15 16 1 15 21 1 16 24 1 17 19 1 17 26 1 18 24 1 26 18 -2 20 22 1 21 25 1 22 26 1 23 25 1 23 26 1 24 25 1', '26 29 H 18.59 -10.70 H 16.23 -10.32 H 15.01 -8.84 C 18.59 -14.09 C 19.28 -7.08 C 12.39 -8.82 C 14.10 -8.18 C 15.01 -12.77 O 13.21 -13.13 O 18.59 -11.33 O 16.80 -12.91 C 19.85 -11.89 C 19.85 -10.41 C 16.80 -8.04 O 12.82 -10.62 C 13.66 -11.77 C 17.31 -11.89 C 16.39 -11.57 C 18.59 -12.62 C 18.29 -8.18 C 13.66 -9.46 C 18.59 -9.64 C 16.23 -9.31 C 15.01 -11.37 C 15.01 -9.86 C 17.31 -10.41 22 1 -2 23 2 -1 25 3 -2 19 4 -2 20 5 -2 21 6 -2 21 7 -1 24 8 -2 9 16 2 10 17 2 11 18 2 12 13 1 12 19 1 13 22 1 14 20 1 14 23 1 15 16 1 15 21 1 16 24 1 17 19 1 17 26 1 18 24 1 26 18 -2 20 22 1 21 25 1 22 26 1 23 25 1 23 26 1 24 25 1', '26 29 H 18.59 -10.70 H 16.23 -10.32 H 15.01 -8.84 C:19 18.59 -14.09 C:17 19.28 -7.08 C:32 12.39 -8.82 C:25 14.10 -8.18 C:23 15.01 -12.77 O 13.21 -13.13 O 18.59 -11.33 O 16.80 -12.91 C:29 19.85 -11.89 C:27 19.85 -10.41 C:44 16.80 -8.04 O 12.82 -10.62 C:172 13.66 -11.77 C:209 17.31 -11.89 C:207 16.39 -11.57 C:45 18.59 -12.62 C:43 18.29 -8.18 C:84 13.66 -9.46 C:54 18.59 -9.64 C:43 16.23 -9.31 C:62 15.01 -11.37 C:58 15.01 -9.86 C:77 17.31 -10.41 22 1 -2 23 2 -1 25 3 -2 19 4 -2 20 5 -2 21 6 -2 21 7 -1 24 8 -2 9 16 2 10 17 2 11 18 2 12 13 1 12 19 1 13 22 1 14 20 1 14 23 1 15 16 1 15 21 1 16 24 1 17 19 1 17 26 1 18 24 1 26 18 -2 20 22 1 21 25 1 22 26 1 23 25 1 23 26 1 24 25 1', 'C19H26O4', 318.225, 'B', 'jo98_7083_4', 1898, '', '', '1', 1, NULL, NULL),
(11346, '', '8-hydroxy-13E-labdane-15yl-acetate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC[C@@](C)(O)[C@H](CCC(C)=CCO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:21][CH2:45][C@@:74]([CH3:16])(O)[C@H:61]([CH2:24][CH2:43][C:141]([CH3:17])=[CH:123][CH2:59]O)[C@@:39]1([CH3:15])[CH2:39][CH2:18][CH2:43][C@:33]2([CH3:33])[CH3:21]', '23 24 H 14.84 -15.12 C:16 16.07 -7.75 C:18 14.56 -15.93 C:19 12.66 -15.92 C:17 18.01 -11.53 C:20 14.84 -11.31 O 19.74 -5.64 O 18.70 -12.76 C:14 18.52 -7.75 C:15 18.52 -6.34 C:2 12.38 -12.75 C:12 17.30 -9.88 C:11 16.07 -10.58 C:3 12.38 -14.17 C:1 13.61 -12.03 C:7 17.30 -14.17 C:6 16.07 -14.88 C:13 17.30 -8.46 C:9 16.07 -12.03 C:4 13.61 -14.88 C:8 17.30 -12.75 C:5 14.84 -14.17 C:10 14.84 -12.75 22 1 -2 2 18 1 20 3 -2 20 4 -1 21 5 -1 23 6 -1 7 10 1 21 8 -2 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 14.84 -15.12 C 16.07 -7.75 C 14.56 -15.93 C 12.66 -15.92 C 18.01 -11.53 C 14.84 -11.31 O 19.74 -5.64 O 18.70 -12.76 C 18.52 -7.75 C 18.52 -6.34 C 12.38 -12.75 C 17.30 -9.88 C 16.07 -10.58 C 12.38 -14.17 C 13.61 -12.03 C 17.30 -14.17 C 16.07 -14.88 C 17.30 -8.46 C 16.07 -12.03 C 13.61 -14.88 C 17.30 -12.75 C 14.84 -14.17 C 14.84 -12.75 22 1 -2 2 18 1 20 3 -2 20 4 -1 21 5 -1 23 6 -1 7 10 1 21 8 -2 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 14.84 -15.12 C:17 16.07 -7.75 C:33 14.56 -15.93 C:21 12.66 -15.92 C:16 18.01 -11.53 C:15 14.84 -11.31 O 19.74 -5.64 O 18.70 -12.76 C:123 18.52 -7.75 C:59 18.52 -6.34 C:18 12.38 -12.75 C:43 17.30 -9.88 C:24 16.07 -10.58 C:43 12.38 -14.17 C:39 13.61 -12.03 C:45 17.30 -14.17 C:21 16.07 -14.88 C:141 17.30 -8.46 C:61 16.07 -12.03 C:33 13.61 -14.88 C:74 17.30 -12.75 C:56 14.84 -14.17 C:39 14.84 -12.75 22 1 -2 2 18 1 20 3 -2 20 4 -1 21 5 -1 23 6 -1 7 10 1 21 8 -2 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', 'C20H36O2', 308.221, 'C+C', 'ph37_1213_1', 1917, 'Isomero de ph40_1213_1', '', '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
(11358, 'Dyvariabilins E', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]34[CH2:11][CH2:12][C@@:13]2([CH3:18])[C@:17]([H])([C@@H:20]([CH3:21])[CH2:22][C@@H:23](O)[C@@H:24]1O[C:25]1([CH3:26])[CH3:27])[CH2:16][CH2:15][C@:14]2([CH3:30])[C:8]3=[CH:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[C@H:2](O)[CH2:1][C@:10]45[CH3:19]', '[H][C@]34CC[C@@]2(C)[C@]([H])([C@@H](C)C[C@@H](O)[C@@H]1OC1(C)C)CC[C@]2(C)C3=CC[C@@]5([H])[C@](C)(C)C(=O)[C@H](O)C[C@]45C', '[H][C@:49]34[CH2:19][CH2:34][C@@:44]2([CH3:22])[C@:54]([H])([C@@H:34]([CH3:21])[CH2:42][C@@H:70](O)[C@@H:69]1O[C:59]1([CH3:20])[CH3:25])[CH2:29][CH2:35][C@:52]2([CH3:28])[C:146]3=[CH:118][CH2:25][C@@:54]5([H])[C@:48]([CH3:22])([CH3:25])[C:216](=O)[C@H:70](O)[CH2:49][C@:36]45[CH3:14]', '37 41 H 13.36 -11.66 H 16.92 -9.69 H 12.07 -13.91 C:21 16.69 -6.36 C:26 23.75 -8.64 C:27 21.90 -10.27 C:29 10.02 -14.77 C:28 11.57 -14.77 C:30 15.89 -12.11 C:18 15.89 -7.78 C:19 12.07 -9.91 O 8.50 -13.56 O 8.50 -10.67 O 19.51 -9.49 C:7 14.60 -12.83 C:6 13.36 -13.56 C:11 13.36 -9.20 C:16 18.03 -9.91 C:15 17.20 -11.06 C:12 14.60 -8.47 C:22 19.06 -7.14 C:1 10.80 -10.62 O 22.78 -7.61 C:3 9.57 -12.83 C:8 14.60 -11.37 C:20 17.65 -7.43 C:2 9.57 -11.37 C:23 20.00 -8.16 C:24 21.39 -7.87 C:25 22.35 -8.95 C:4 10.80 -13.56 C:9 13.36 -10.62 C:17 17.20 -8.77 C:14 15.89 -10.62 C:5 12.07 -12.83 C:13 15.89 -9.20 C:10 12.07 -11.37 32 1 -2 33 2 -1 35 3 -2 26 4 -1 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 36 10 -2 37 11 -1 12 24 2 27 13 -2 28 14 -2 15 16 1 15 25 2 16 35 1 17 20 1 17 32 1 18 19 1 18 33 1 19 34 1 20 36 1 21 26 1 21 28 1 22 27 1 22 37 1 29 23 -2 23 30 1 24 27 1 24 31 1 25 32 1 25 34 1 26 33 1 28 29 1 29 30 1 31 35 1 32 37 1 33 36 1 34 36 1 35 37 1', '37 41 H 13.36 -11.66 H 16.92 -9.69 H 12.07 -13.91 C 16.69 -6.36 C 23.75 -8.64 C 21.90 -10.27 C 10.02 -14.77 C 11.57 -14.77 C 15.89 -12.11 C 15.89 -7.78 C 12.07 -9.91 O 8.50 -13.56 O 8.50 -10.67 O 19.51 -9.49 C 14.60 -12.83 C 13.36 -13.56 C 13.36 -9.20 C 18.03 -9.91 C 17.20 -11.06 C 14.60 -8.47 C 19.06 -7.14 C 10.80 -10.62 O 22.78 -7.61 C 9.57 -12.83 C 14.60 -11.37 C 17.65 -7.43 C 9.57 -11.37 C 20.00 -8.16 C 21.39 -7.87 C 22.35 -8.95 C 10.80 -13.56 C 13.36 -10.62 C 17.20 -8.77 C 15.89 -10.62 C 12.07 -12.83 C 15.89 -9.20 C 12.07 -11.37 32 1 -2 33 2 -1 35 3 -2 26 4 -1 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 36 10 -2 37 11 -1 12 24 2 27 13 -2 28 14 -2 15 16 1 15 25 2 16 35 1 17 20 1 17 32 1 18 19 1 18 33 1 19 34 1 20 36 1 21 26 1 21 28 1 22 27 1 22 37 1 29 23 -2 23 30 1 24 27 1 24 31 1 25 32 1 25 34 1 26 33 1 28 29 1 29 30 1 31 35 1 32 37 1 33 36 1 34 36 1 35 37 1', '37 41 H 13.36 -11.66 H 16.92 -9.69 H 12.07 -13.91 C:21 16.69 -6.36 C:20 23.75 -8.64 C:25 21.90 -10.27 C:22 10.02 -14.77 C:25 11.57 -14.77 C:28 15.89 -12.11 C:22 15.89 -7.78 C:14 12.07 -9.91 O 8.50 -13.56 O 8.50 -10.67 O 19.51 -9.49 C:118 14.60 -12.83 C:25 13.36 -13.56 C:19 13.36 -9.20 C:29 18.03 -9.91 C:35 17.20 -11.06 C:34 14.60 -8.47 C:42 19.06 -7.14 C:49 10.80 -10.62 O 22.78 -7.61 C:216 9.57 -12.83 C:146 14.60 -11.37 C:34 17.65 -7.43 C:70 9.57 -11.37 C:70 20.00 -8.16 C:69 21.39 -7.87 C:59 22.35 -8.95 C:48 10.80 -13.56 C:49 13.36 -10.62 C:54 17.20 -8.77 C:52 15.89 -10.62 C:54 12.07 -12.83 C:44 15.89 -9.20 C:36 12.07 -11.37 32 1 -2 33 2 -1 35 3 -2 26 4 -1 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 36 10 -2 37 11 -1 12 24 2 27 13 -2 28 14 -2 15 16 1 15 25 2 16 35 1 17 20 1 17 32 1 18 19 1 18 33 1 19 34 1 20 36 1 21 26 1 21 28 1 22 27 1 22 37 1 29 23 -2 23 30 1 24 27 1 24 31 1 25 32 1 25 34 1 26 33 1 28 29 1 29 30 1 31 35 1 32 37 1 33 36 1 34 36 1 35 37 1', 'C30H48O4', 472.342, 'A', 'np01_159_5', 2953, '', '', '1', 1, NULL, NULL),
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(11369, '(21R,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a13a,-14a,17a-cholestan-3b-N-methylanthranilic acid ester', '', 'Terpenoids', 'Triterpenoids', 'Cycloapotirucallanes', '[H][C@:23]7([CH:24](O)[C:25]([CH3:26])([CH3:27])O)[CH2:22][CH:20]([C@:17]1([H])[CH2:16][CH2:15][C@:14]26[CH2:18][C@:13]12[CH2:12][CH2:11][C@:9]5([H])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][c:3003]3N[CH3:3008])[C@:4]([CH3:28])([CH3:29])[C@:5]4([H])[CH2:6][C@@H:7](O)[C@:8]56[CH3:30])[C@H:21](O[CH3:21001])O7', '[H][C@]7(C(O)C(C)(C)O)CC([C@]1([H])CC[C@]26C[C@]12CC[C@]5([H])[C@@]4(C)CC[C@H](OC(=O)c3ccccc3NC)[C@](C)(C)[C@]4([H])C[C@@H](O)[C@]56C)[C@H](OC)O7', 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-13.26 C:3 12.54 -13.26 C:24 23.15 -5.12 C:21 19.83 -6.67 C:20 20.67 -7.79 C:25 24.45 -5.69 C:4 13.80 -13.96 C:23 22.02 -5.94 C:17 20.22 -9.17 C:5 15.04 -13.26 C:9 16.35 -11.05 C:10 15.04 -11.86 C:8 17.59 -11.86 C:13 18.87 -9.62 C:14 18.87 -11.05 44 1 -2 45 2 -1 46 3 -2 47 4 -2 5 30 1 6 31 1 7 42 1 8 42 1 43 9 -2 43 10 -1 48 11 -1 49 12 -1 13 34 2 37 14 -2 15 39 1 16 42 1 17 18 1 17 19 2 18 20 2 19 35 1 20 36 1 21 24 1 21 38 1 22 25 1 22 45 1 23 26 1 23 47 1 24 48 1 25 51 1 26 50 1 27 37 1 27 46 1 28 41 1 28 44 1 50 29 -2 51 29 -2 30 35 1 40 31 -2 32 34 1 38 32 -1 33 40 1 33 44 1 34 36 1 35 36 2 37 49 1 38 43 1 39 42 1 39 44 1 40 41 1 41 45 1 43 46 1 45 50 1 46 48 1 47 48 1 47 49 1 49 51 1 50 51 1', '51 57 H 23.00 -6.26 H 19.68 -8.52 H 15.04 -14.38 H 16.35 -12.10 C 10.11 -17.45 C 17.70 -5.44 C 24.61 -7.08 C 25.61 -4.84 C 14.54 -15.29 C 12.98 -15.24 C 15.04 -10.36 C 17.59 -10.41 O 10.11 -11.86 O 18.79 -13.96 O 23.00 -3.71 O 25.75 -6.26 C 6.48 -15.35 C 6.48 -13.96 C 7.68 -16.05 C 7.68 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-17.45 C:56 17.70 -5.44 C:27 24.61 -7.08 C:25 25.61 -4.84 C:28 14.54 -15.29 C:16 12.98 -15.24 C:16 15.04 -10.36 C:19 17.59 -10.41 O 10.11 -11.86 O 18.79 -13.96 O 23.00 -3.71 O 25.75 -6.26 C:134 6.48 -15.35 C:114 6.48 -13.96 C:111 7.68 -16.05 C:131 7.68 -13.26 C:25 12.54 -11.86 C:33 21.06 -10.36 C:16 16.35 -9.62 C:38 13.80 -11.05 C:26 20.22 -11.49 C:24 17.59 -8.87 C:24 16.35 -13.96 C:26 22.02 -7.35 C:14 20.04 -10.41 N 10.11 -16.05 O 18.40 -6.67 O 11.33 -13.96 O 20.67 -5.51 C:168 10.11 -13.26 C:152 8.90 -15.35 C:110 8.90 -13.96 C:74 17.59 -13.26 C:80 12.54 -13.26 C:78 23.15 -5.12 C:109 19.83 -6.67 C:50 20.67 -7.79 C:72 24.45 -5.69 C:36 13.80 -13.96 C:78 22.02 -5.94 C:49 20.22 -9.17 C:46 15.04 -13.26 C:44 16.35 -11.05 C:37 15.04 -11.86 C:38 17.59 -11.86 C:28 18.87 -9.62 C:39 18.87 -11.05 44 1 -2 45 2 -1 46 3 -2 47 4 -2 5 30 1 6 31 1 7 42 1 8 42 1 43 9 -2 43 10 -1 48 11 -1 49 12 -1 13 34 2 37 14 -2 15 39 1 16 42 1 17 18 1 17 19 2 18 20 2 19 35 1 20 36 1 21 24 1 21 38 1 22 25 1 22 45 1 23 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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
(11370, '(21S,23S)-Epoxy-21a-methoxy-7a,24S,25-trihydroxy-4a,4b,8b,10b-tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17a-cholestan-3b-N-methylanthranilic acid ester', '', 'Terpenoids', 'Triterpenoids', 'Cycloapotirucallanes', '[H][C@:23]7([CH:24](O)[C:25]([CH3:26])([CH3:27])O)[CH2:22][CH:20]([C@:17]1([H])[CH2:16][CH2:15][C@:14]26[CH2:18][C@:13]12[CH2:12][CH2:11][C@:9]5([H])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][c:3003]3N[CH3:3008])[C@:4]([CH3:28])([CH3:29])[C@:5]4([H])[CH2:6][C@@H:7](O)[C@:8]56[CH3:30])[C@@H:21](O[CH3:21001])O7', '[H][C@]7(C(O)C(C)(C)O)CC([C@]1([H])CC[C@]26C[C@]12CC[C@]5([H])[C@@]4(C)CC[C@H](OC(=O)c3ccccc3NC)[C@](C)(C)[C@]4([H])C[C@@H](O)[C@]56C)[C@@H](OC)O7', '[H][C@:80]7([CH:78](O)[C:71]([CH3:28])([CH3:25])O)[CH2:26][CH:50]([C@:45]1([H])[CH2:29][CH2:28][C@:39]26[CH2:14][C@:28]12[CH2:24][CH2:16][C@:44]5([H])[C@@:37]4([CH3:16])[CH2:38][CH2:25][C@H:81](O[C:168](=O)[c:111]3[cH:131][cH:114][cH:134][cH:111][c:152]3N[CH3:30])[C@:37]([CH3:28])([CH3:17])[C@:46]4([H])[CH2:24][C@@H:74](O)[C@:38]56[CH3:20])[C@@H:105](O[CH3:55])O7', '51 57 H 23.01 -6.26 H 19.69 -8.52 H 15.05 -14.39 H 16.36 -12.11 C:3008 10.12 -17.46 C:21001 17.71 -5.44 C:26 24.62 -7.08 C:27 25.62 -4.84 C:28 14.55 -15.25 C:29 12.99 -15.25 C:19 15.05 -10.37 C:30 17.60 -10.42 O 10.12 -11.87 O 18.80 -13.97 O 23.01 -3.71 O 25.76 -6.26 C:3005 6.48 -15.36 C:3006 6.48 -13.97 C:3004 7.68 -16.06 C:3007 7.68 -13.27 C:2 12.55 -11.87 C:16 21.07 -10.37 C:11 16.36 -9.63 C:1 13.81 -11.06 C:15 20.23 -11.50 C:12 17.60 -8.87 C:6 16.36 -13.97 C:22 22.03 -7.35 C:18 20.05 -10.42 N 10.12 -16.06 O 18.41 -6.67 O 11.34 -13.97 O 20.68 -5.51 C:3001 10.12 -13.27 C:3003 8.90 -15.36 C:3002 8.90 -13.97 C:7 17.60 -13.27 C:3 12.55 -13.27 C:24 23.16 -5.12 C:21 19.84 -6.67 C:20 20.68 -7.79 C:25 24.46 -5.69 C:4 13.81 -13.97 C:23 22.03 -5.94 C:17 20.23 -9.17 C:5 15.05 -13.27 C:9 16.36 -11.06 C:10 15.05 -11.87 C:8 17.60 -11.87 C:13 18.88 -9.63 C:14 18.88 -11.06 44 1 -2 45 2 -1 46 3 -2 47 4 -2 5 30 1 6 31 1 7 42 1 8 42 1 43 9 -2 43 10 -1 48 11 -1 49 12 -1 13 34 2 37 14 -2 15 39 1 16 42 1 17 18 1 17 19 2 18 20 2 19 35 1 20 36 1 21 24 1 21 38 1 22 25 1 22 45 1 23 26 1 23 47 1 24 48 1 25 51 1 26 50 1 27 37 1 27 46 1 28 41 1 28 44 1 50 29 -2 51 29 -2 30 35 1 40 31 -1 32 34 1 38 32 -1 33 40 1 33 44 1 34 36 1 35 36 2 37 49 1 38 43 1 39 42 1 39 44 1 40 41 1 41 45 1 43 46 1 45 50 1 46 48 1 47 48 1 47 49 1 49 51 1 50 51 1', '51 57 H 23.01 -6.26 H 19.69 -8.52 H 15.05 -14.39 H 16.36 -12.11 C 10.12 -17.46 C 17.71 -5.44 C 24.62 -7.08 C 25.62 -4.84 C 14.55 -15.25 C 12.99 -15.25 C 15.05 -10.37 C 17.60 -10.42 O 10.12 -11.87 O 18.80 -13.97 O 23.01 -3.71 O 25.76 -6.26 C 6.48 -15.36 C 6.48 -13.97 C 7.68 -16.06 C 7.68 -13.27 C 12.55 -11.87 C 21.07 -10.37 C 16.36 -9.63 C 13.81 -11.06 C 20.23 -11.50 C 17.60 -8.87 C 16.36 -13.97 C 22.03 -7.35 C 20.05 -10.42 N 10.12 -16.06 O 18.41 -6.67 O 11.34 -13.97 O 20.68 -5.51 C 10.12 -13.27 C 8.90 -15.36 C 8.90 -13.97 C 17.60 -13.27 C 12.55 -13.27 C 23.16 -5.12 C 19.84 -6.67 C 20.68 -7.79 C 24.46 -5.69 C 13.81 -13.97 C 22.03 -5.94 C 20.23 -9.17 C 15.05 -13.27 C 16.36 -11.06 C 15.05 -11.87 C 17.60 -11.87 C 18.88 -9.63 C 18.88 -11.06 44 1 -2 45 2 -1 46 3 -2 47 4 -2 5 30 1 6 31 1 7 42 1 8 42 1 43 9 -2 43 10 -1 48 11 -1 49 12 -1 13 34 2 37 14 -2 15 39 1 16 42 1 17 18 1 17 19 2 18 20 2 19 35 1 20 36 1 21 24 1 21 38 1 22 25 1 22 45 1 23 26 1 23 47 1 24 48 1 25 51 1 26 50 1 27 37 1 27 46 1 28 41 1 28 44 1 50 29 -2 51 29 -2 30 35 1 40 31 -1 32 34 1 38 32 -1 33 40 1 33 44 1 34 36 1 35 36 2 37 49 1 38 43 1 39 42 1 39 44 1 40 41 1 41 45 1 43 46 1 45 50 1 46 48 1 47 48 1 47 49 1 49 51 1 50 51 1', '51 57 H 23.01 -6.26 H 19.69 -8.52 H 15.05 -14.39 H 16.36 -12.11 C:30 10.12 -17.46 C:55 17.71 -5.44 C:28 24.62 -7.08 C:25 25.62 -4.84 C:28 14.55 -15.25 C:17 12.99 -15.25 C:16 15.05 -10.37 C:20 17.60 -10.42 O 10.12 -11.87 O 18.80 -13.97 O 23.01 -3.71 O 25.76 -6.26 C:134 6.48 -15.36 C:114 6.48 -13.97 C:111 7.68 -16.06 C:131 7.68 -13.27 C:25 12.55 -11.87 C:29 21.07 -10.37 C:16 16.36 -9.63 C:38 13.81 -11.06 C:28 20.23 -11.50 C:24 17.60 -8.87 C:24 16.36 -13.97 C:26 22.03 -7.35 C:14 20.05 -10.42 N 10.12 -16.06 O 18.41 -6.67 O 11.34 -13.97 O 20.68 -5.51 C:168 10.12 -13.27 C:152 8.90 -15.36 C:111 8.90 -13.97 C:74 17.60 -13.27 C:81 12.55 -13.27 C:78 23.16 -5.12 C:105 19.84 -6.67 C:50 20.68 -7.79 C:71 24.46 -5.69 C:37 13.81 -13.97 C:80 22.03 -5.94 C:45 20.23 -9.17 C:46 15.05 -13.27 C:44 16.36 -11.06 C:37 15.05 -11.87 C:38 17.60 -11.87 C:28 18.88 -9.63 C:39 18.88 -11.06 44 1 -2 45 2 -1 46 3 -2 47 4 -2 5 30 1 6 31 1 7 42 1 8 42 1 43 9 -2 43 10 -1 48 11 -1 49 12 -1 13 34 2 37 14 -2 15 39 1 16 42 1 17 18 1 17 19 2 18 20 2 19 35 1 20 36 1 21 24 1 21 38 1 22 25 1 22 45 1 23 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(11371, '', '(21,23S)-Epoxy-7a,21,24S,25-tetrahydroxy-4a,4b,8b,10‚tetramethyl-25-dimethyl-14,18-cyclo-5a,13a,14a,17rcholestan-3b-N-methylanthranilicacidester', 'Terpenoids', 'Triterpenoids', 'Cycloapotirucallanes', '[H][C@:23]7([CH:24](O)[C:25]([CH3:26])([CH3:27])O)[CH2:22][CH:20]([C@:17]1([H])[CH2:16][CH2:15][C@:14]26[CH2:18][C@:13]12[CH2:12][CH2:11][C@:9]5([H])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][c:3003]3N[CH3:3008])[C@:4]([CH3:28])([CH3:29])[C@:5]4([H])[CH2:6][C@@H:7](O)[C@:8]56[CH3:30])[C@@H:21](O)O7', '[H][C@]7(C(O)C(C)(C)O)CC([C@]1([H])CC[C@]26C[C@]12CC[C@]5([H])[C@@]4(C)CC[C@H](OC(=O)c3ccccc3NC)[C@](C)(C)[C@]4([H])C[C@@H](O)[C@]56C)[C@@H](O)O7', '[H][C@:79]7([CH:78](O)[C:71]([CH3:27])([CH3:26])O)[CH2:27][CH:50]([C@:49]1([H])[CH2:28][CH2:26][C@:40]26[CH2:14][C@:29]12[CH2:24][CH2:16][C@:45]5([H])[C@@:37]4([CH3:16])[CH2:38][CH2:25][C@H:80](O[C:167](=O)[c:110]3[cH:131][cH:114][cH:134][cH:111][c:151]3N[CH3:29])[C@:36]([CH3:28])([CH3:17])[C@:46]4([H])[CH2:24][C@@H:74](O)[C@:38]56[CH3:19])[C@@H:97](O)O7', '50 56 H 23.01 -6.26 H 19.68 -8.53 H 15.05 -14.39 H 16.35 -12.11 C:3008 10.12 -17.45 C:26 24.62 -7.09 C:27 25.62 -4.84 C:28 14.55 -15.25 C:29 12.99 -15.25 C:19 15.05 -10.37 C:30 17.59 -10.42 O 10.12 -11.87 O 18.79 -13.97 O 18.40 -6.67 O 23.01 -3.71 O 25.76 -6.26 C:3005 6.48 -15.36 C:3006 6.48 -13.97 C:3004 7.69 -16.06 C:3007 7.69 -13.27 C:2 12.55 -11.87 C:1 13.81 -11.06 C:16 21.07 -10.37 C:11 16.35 -9.63 C:15 20.23 -11.50 C:12 17.59 -8.88 C:6 16.35 -13.97 C:22 22.03 -7.36 C:18 20.04 -10.42 N 10.12 -16.06 O 11.34 -13.97 O 20.68 -5.51 C:3001 10.12 -13.27 C:3003 8.91 -15.36 C:3002 8.91 -13.97 C:7 17.59 -13.27 C:21 19.83 -6.67 C:3 12.55 -13.27 C:24 23.16 -5.12 C:20 20.68 -7.80 C:25 24.46 -5.69 C:4 13.81 -13.97 C:23 22.03 -5.94 C:17 20.23 -9.18 C:5 15.05 -13.27 C:9 16.35 -11.06 C:10 15.05 -11.87 C:8 17.59 -11.87 C:13 18.87 -9.63 C:14 18.87 -11.06 43 1 -2 44 2 -1 45 3 -2 46 4 -2 5 30 1 6 41 1 7 41 1 42 8 -2 42 9 -1 47 10 -1 48 11 -1 12 33 2 36 13 -2 37 14 -1 15 39 1 16 41 1 17 18 1 17 19 2 18 20 2 19 34 1 20 35 1 21 22 1 21 38 1 22 47 1 23 25 1 23 44 1 24 26 1 24 46 1 25 50 1 26 49 1 27 36 1 27 45 1 28 40 1 28 43 1 49 29 -2 50 29 -2 30 34 1 31 33 1 38 31 -1 32 37 1 32 43 1 33 35 1 34 35 2 36 48 1 37 40 1 38 42 1 39 41 1 39 43 1 40 44 1 42 45 1 44 49 1 45 47 1 46 47 1 46 48 1 48 50 1 49 50 1', '50 56 H 23.01 -6.26 H 19.68 -8.53 H 15.05 -14.39 H 16.35 -12.11 C 10.12 -17.45 C 24.62 -7.09 C 25.62 -4.84 C 14.55 -15.25 C 12.99 -15.25 C 15.05 -10.37 C 17.59 -10.42 O 10.12 -11.87 O 18.79 -13.97 O 18.40 -6.67 O 23.01 -3.71 O 25.76 -6.26 C 6.48 -15.36 C 6.48 -13.97 C 7.69 -16.06 C 7.69 -13.27 C 12.55 -11.87 C 13.81 -11.06 C 21.07 -10.37 C 16.35 -9.63 C 20.23 -11.50 C 17.59 -8.88 C 16.35 -13.97 C 22.03 -7.36 C 20.04 -10.42 N 10.12 -16.06 O 11.34 -13.97 O 20.68 -5.51 C 10.12 -13.27 C 8.91 -15.36 C 8.91 -13.97 C 17.59 -13.27 C 19.83 -6.67 C 12.55 -13.27 C 23.16 -5.12 C 20.68 -7.80 C 24.46 -5.69 C 13.81 -13.97 C 22.03 -5.94 C 20.23 -9.18 C 15.05 -13.27 C 16.35 -11.06 C 15.05 -11.87 C 17.59 -11.87 C 18.87 -9.63 C 18.87 -11.06 43 1 -2 44 2 -1 45 3 -2 46 4 -2 5 30 1 6 41 1 7 41 1 42 8 -2 42 9 -1 47 10 -1 48 11 -1 12 33 2 36 13 -2 37 14 -1 15 39 1 16 41 1 17 18 1 17 19 2 18 20 2 19 34 1 20 35 1 21 22 1 21 38 1 22 47 1 23 25 1 23 44 1 24 26 1 24 46 1 25 50 1 26 49 1 27 36 1 27 45 1 28 40 1 28 43 1 49 29 -2 50 29 -2 30 34 1 31 33 1 38 31 -1 32 37 1 32 43 1 33 35 1 34 35 2 36 48 1 37 40 1 38 42 1 39 41 1 39 43 1 40 44 1 42 45 1 44 49 1 45 47 1 46 47 1 46 48 1 48 50 1 49 50 1', '50 56 H 23.01 -6.26 H 19.68 -8.53 H 15.05 -14.39 H 16.35 -12.11 C:29 10.12 -17.45 C:27 24.62 -7.09 C:26 25.62 -4.84 C:28 14.55 -15.25 C:17 12.99 -15.25 C:16 15.05 -10.37 C:19 17.59 -10.42 O 10.12 -11.87 O 18.79 -13.97 O 18.40 -6.67 O 23.01 -3.71 O 25.76 -6.26 C:134 6.48 -15.36 C:114 6.48 -13.97 C:111 7.69 -16.06 C:131 7.69 -13.27 C:25 12.55 -11.87 C:38 13.81 -11.06 C:28 21.07 -10.37 C:16 16.35 -9.63 C:26 20.23 -11.50 C:24 17.59 -8.88 C:24 16.35 -13.97 C:27 22.03 -7.36 C:14 20.04 -10.42 N 10.12 -16.06 O 11.34 -13.97 O 20.68 -5.51 C:167 10.12 -13.27 C:151 8.91 -15.36 C:110 8.91 -13.97 C:74 17.59 -13.27 C:97 19.83 -6.67 C:80 12.55 -13.27 C:78 23.16 -5.12 C:50 20.68 -7.80 C:71 24.46 -5.69 C:36 13.81 -13.97 C:79 22.03 -5.94 C:49 20.23 -9.18 C:46 15.05 -13.27 C:45 16.35 -11.06 C:37 15.05 -11.87 C:38 17.59 -11.87 C:29 18.87 -9.63 C:40 18.87 -11.06 43 1 -2 44 2 -1 45 3 -2 46 4 -2 5 30 1 6 41 1 7 41 1 42 8 -2 42 9 -1 47 10 -1 48 11 -1 12 33 2 36 13 -2 37 14 -1 15 39 1 16 41 1 17 18 1 17 19 2 18 20 2 19 34 1 20 35 1 21 22 1 21 38 1 22 47 1 23 25 1 23 44 1 24 26 1 24 46 1 25 50 1 26 49 1 27 36 1 27 45 1 28 40 1 28 43 1 49 29 -2 50 29 -2 30 34 1 31 33 1 38 31 -1 32 37 1 32 43 1 33 35 1 34 35 2 36 48 1 37 40 1 38 42 1 39 41 1 39 43 1 40 44 1 42 45 1 44 49 1 45 47 1 46 47 1 46 48 1 48 50 1 49 50 1', 'C38H57NO7', 639.441, 'C+D', 'np02_562_5a', 2954, '', '', '1', 1, NULL, NULL),
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