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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(887, '', '2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic  acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH:7]=[C:8]([CH3:17])[C@@H:9]([CH2:11][CH2:12][C@H:13]([CH3:16])[CH2:14][C:15](=O)O)[C@:10]1([CH3:20])[CH2:1][C@@H:2](O)[C@@H:3](O)[C@@:4]2([CH3:18])[CH3:19]', '[H][C@]12CC=C(C)[C@@H](CC[C@H](C)CC(=O)O)[C@]1(C)C[C@@H](O)[C@@H](O)[C@@]2(C)C', '[H][C@:50]12[CH2:23][CH:123]=[C:136]([CH3:23])[C@@H:56]([CH2:26][CH2:39][C@H:31]([CH3:21])[CH2:42][C:177](=O)O)[C@:36]1([CH3:16])[CH2:45][C@@H:73](O)[C@@H:80](O)[C@@:38]2([CH3:18])[CH3:31]', '25 26 H 14.37 -14.41 C:17 18.05 -11.32 C:16 15.60 -7.06 C:19 12.19 -15.21 C:18 14.09 -15.22 C:20 14.37 -10.61 O 19.28 -9.17 O 20.50 -7.07 O 10.69 -11.34 O 10.69 -14.16 C:7 16.83 -13.46 C:12 16.83 -9.19 C:11 15.60 -9.90 C:6 15.60 -14.17 C:14 18.05 -7.06 C:1 13.14 -11.32 C:15 19.28 -7.77 C:8 16.83 -12.04 C:13 16.83 -7.77 C:2 11.91 -12.04 C:3 11.91 -13.46 C:9 15.60 -11.32 C:4 13.14 -14.17 C:5 14.37 -13.46 C:10 14.37 -12.04 24 1 -1 2 18 1 19 3 -2 23 4 -2 23 5 -1 25 6 -2 7 17 2 8 17 1 20 9 -2 21 10 -2 11 14 1 11 18 2 12 13 1 12 19 1 22 13 -2 14 24 1 15 17 1 15 19 1 16 20 1 16 25 1 18 22 1 20 21 1 21 23 1 22 25 1 23 24 1 24 25 1', '25 26 H 14.37 -14.41 C 18.05 -11.32 C 15.60 -7.06 C 12.19 -15.21 C 14.09 -15.22 C 14.37 -10.61 O 19.28 -9.17 O 20.50 -7.07 O 10.69 -11.34 O 10.69 -14.16 C 16.83 -13.46 C 16.83 -9.19 C 15.60 -9.90 C 15.60 -14.17 C 18.05 -7.06 C 13.14 -11.32 C 19.28 -7.77 C 16.83 -12.04 C 16.83 -7.77 C 11.91 -12.04 C 11.91 -13.46 C 15.60 -11.32 C 13.14 -14.17 C 14.37 -13.46 C 14.37 -12.04 24 1 -1 2 18 1 19 3 -2 23 4 -2 23 5 -1 25 6 -2 7 17 2 8 17 1 20 9 -2 21 10 -2 11 14 1 11 18 2 12 13 1 12 19 1 22 13 -2 14 24 1 15 17 1 15 19 1 16 20 1 16 25 1 18 22 1 20 21 1 21 23 1 22 25 1 23 24 1 24 25 1', '25 26 H 14.37 -14.41 C:23 18.05 -11.32 C:21 15.60 -7.06 C:31 12.19 -15.21 C:18 14.09 -15.22 C:16 14.37 -10.61 O 19.28 -9.17 O 20.50 -7.07 O 10.69 -11.34 O 10.69 -14.16 C:123 16.83 -13.46 C:39 16.83 -9.19 C:26 15.60 -9.90 C:23 15.60 -14.17 C:42 18.05 -7.06 C:45 13.14 -11.32 C:177 19.28 -7.77 C:136 16.83 -12.04 C:31 16.83 -7.77 C:73 11.91 -12.04 C:80 11.91 -13.46 C:56 15.60 -11.32 C:38 13.14 -14.17 C:50 14.37 -13.46 C:36 14.37 -12.04 24 1 -1 2 18 1 19 3 -2 23 4 -2 23 5 -1 25 6 -2 7 17 2 8 17 1 20 9 -2 21 10 -2 11 14 1 11 18 2 12 13 1 12 19 1 22 13 -2 14 24 1 15 17 1 15 19 1 16 20 1 16 25 1 18 22 1 20 21 1 21 23 1 22 25 1 23 24 1 24 25 1', 'C20H34O4', 338.22, 'C', 'ph_45_1469_1c', 619, '', 'ent-Labdanes', '1', 1, NULL, NULL),
(888, '', '2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic  acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]13[CH2:6][CH:7]=[C:8]([CH3:17])[C@@H:9]([CH2:11][CH2:12][C@@H:13]([CH3:16])[CH2:14][C:15](=O)O[CH3:15001])[C@:10]1([CH3:20])[CH2:1][C@H:2]2O[C:2001]([CH3:2002])([CH3:2003])O[C@H:3]2[C@@:4]3([CH3:18])[CH3:19]', '[H][C@]13CC=C(C)[C@@H](CC[C@@H](C)CC(=O)OC)[C@]1(C)C[C@H]2OC(C)(C)O[C@H]2[C@@]3(C)C', '[H][C@:48]13[CH2:23][CH:124]=[C:137]([CH3:22])[C@@H:52]([CH2:25][CH2:36][C@@H:31]([CH3:20])[CH2:42][C:176](=O)O[CH3:51])[C@:37]1([CH3:17])[CH2:31][C@H:74]2O[C:108]([CH3:27])([CH3:29])O[C@H:83]2[C@@:37]3([CH3:20])[CH3:25]', '29 31 H 14.82 -14.44 C:15001 22.17 -7.78 C:17 18.50 -11.34 C:16 16.05 -7.07 C:2003 8.98 -12.07 C:2002 8.99 -13.48 C:19 12.65 -15.23 C:18 14.55 -15.24 C:20 14.82 -10.63 O 19.73 -9.18 C:7 17.28 -13.49 C:6 16.05 -14.20 C:12 17.28 -9.20 C:11 16.05 -9.91 C:14 18.50 -7.07 C:1 13.60 -11.34 O 20.96 -7.08 O 11.02 -11.63 O 11.02 -13.91 C:8 17.28 -12.06 C:15 19.73 -7.78 C:13 17.28 -7.78 C:2 12.36 -12.06 C:9 16.05 -11.34 C:3 12.36 -13.49 C:2001 10.20 -12.78 C:4 13.60 -14.20 C:5 14.82 -13.49 C:10 14.82 -12.06 28 1 -1 2 17 1 3 20 1 22 4 -1 5 26 1 6 26 1 27 7 -2 27 8 -1 29 9 -2 10 21 2 11 12 1 11 20 2 12 28 1 13 14 1 13 22 1 24 14 -2 15 21 1 15 22 1 16 23 1 16 29 1 17 21 1 23 18 -2 18 26 1 25 19 -2 19 26 1 20 24 1 23 25 1 24 29 1 25 27 1 27 28 1 28 29 1', '29 31 H 14.82 -14.44 C 22.17 -7.78 C 18.50 -11.34 C 16.05 -7.07 C 8.98 -12.07 C 8.99 -13.48 C 12.65 -15.23 C 14.55 -15.24 C 14.82 -10.63 O 19.73 -9.18 C 17.28 -13.49 C 16.05 -14.20 C 17.28 -9.20 C 16.05 -9.91 C 18.50 -7.07 C 13.60 -11.34 O 20.96 -7.08 O 11.02 -11.63 O 11.02 -13.91 C 17.28 -12.06 C 19.73 -7.78 C 17.28 -7.78 C 12.36 -12.06 C 16.05 -11.34 C 12.36 -13.49 C 10.20 -12.78 C 13.60 -14.20 C 14.82 -13.49 C 14.82 -12.06 28 1 -1 2 17 1 3 20 1 22 4 -1 5 26 1 6 26 1 27 7 -2 27 8 -1 29 9 -2 10 21 2 11 12 1 11 20 2 12 28 1 13 14 1 13 22 1 24 14 -2 15 21 1 15 22 1 16 23 1 16 29 1 17 21 1 23 18 -2 18 26 1 25 19 -2 19 26 1 20 24 1 23 25 1 24 29 1 25 27 1 27 28 1 28 29 1', '29 31 H 14.82 -14.44 C:51 22.17 -7.78 C:22 18.50 -11.34 C:20 16.05 -7.07 C:29 8.98 -12.07 C:27 8.99 -13.48 C:25 12.65 -15.23 C:20 14.55 -15.24 C:17 14.82 -10.63 O 19.73 -9.18 C:124 17.28 -13.49 C:23 16.05 -14.20 C:36 17.28 -9.20 C:25 16.05 -9.91 C:42 18.50 -7.07 C:31 13.60 -11.34 O 20.96 -7.08 O 11.02 -11.63 O 11.02 -13.91 C:137 17.28 -12.06 C:176 19.73 -7.78 C:31 17.28 -7.78 C:74 12.36 -12.06 C:52 16.05 -11.34 C:83 12.36 -13.49 C:108 10.20 -12.78 C:37 13.60 -14.20 C:48 14.82 -13.49 C:37 14.82 -12.06 28 1 -1 2 17 1 3 20 1 22 4 -1 5 26 1 6 26 1 27 7 -2 27 8 -1 29 9 -2 10 21 2 11 12 1 11 20 2 12 28 1 13 14 1 13 22 1 24 14 -2 15 21 1 15 22 1 16 23 1 16 29 1 17 21 1 23 18 -2 18 26 1 25 19 -2 19 26 1 20 24 1 23 25 1 24 29 1 25 27 1 27 28 1 28 29 1', 'C24H40O4', 392.262, 'C', 'ph_45_1469_1d', 619, '', 'ent-Labdanes', '1', 1, NULL, NULL),
(889, '', '2-Oxo-ent-haliman-1(10),7-dien-15-oic  acid', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:17][C:8]2=[CH:7][CH2:6][CH:5]1[C:10](=[CH:1][C:2](=O)[CH2:3][C@:4]1([CH3:18])[CH3:19])[C@:9]2([CH3:20])[CH2:11][CH2:12][C@H:13]([CH3:16])[CH2:14][C:15](=O)O', 'CC2=CCC1C(=CC(=O)C[C@]1(C)C)[C@]2(C)CC[C@H](C)CC(=O)O', '[CH3:22][C:135]2=[CH:122][CH2:23][CH:48]1[C:144](=[CH:125][C:211](=O)[CH2:39][C@:43]1([CH3:25])[CH3:20])[C@:38]2([CH3:15])[CH2:25][CH2:30][C@H:31]([CH3:22])[CH2:41][C:179](=O)O', '23 24 C:17 17.99 -11.32 C:16 15.55 -7.10 C:19 12.18 -15.16 C:18 14.06 -15.18 C:20 16.66 -10.44 O 19.17 -9.18 O 10.74 -11.31 O 20.37 -7.15 C:7 16.77 -13.44 C:1 13.12 -11.32 C:6 15.55 -14.14 C:12 16.77 -9.20 C:11 15.55 -9.92 C:14 17.99 -7.10 C:3 11.91 -13.44 C:15 19.18 -7.81 C:2 11.91 -12.01 C:8 16.77 -12.01 C:10 14.34 -12.01 C:13 16.77 -7.81 C:5 14.34 -13.44 C:4 13.12 -14.14 C:9 15.55 -11.32 1 18 1 20 2 -2 22 3 -1 22 4 -2 23 5 -1 6 16 2 7 17 2 8 16 1 9 11 1 9 18 2 10 17 1 10 19 2 11 21 1 12 13 1 12 20 1 23 13 -2 14 16 1 14 20 1 15 17 1 15 22 1 18 23 1 19 21 1 19 23 1 21 22 1', '23 24 C 17.99 -11.32 C 15.55 -7.10 C 12.18 -15.16 C 14.06 -15.18 C 16.66 -10.44 O 19.17 -9.18 O 10.74 -11.31 O 20.37 -7.15 C 16.77 -13.44 C 13.12 -11.32 C 15.55 -14.14 C 16.77 -9.20 C 15.55 -9.92 C 17.99 -7.10 C 11.91 -13.44 C 19.18 -7.81 C 11.91 -12.01 C 16.77 -12.01 C 14.34 -12.01 C 16.77 -7.81 C 14.34 -13.44 C 13.12 -14.14 C 15.55 -11.32 1 18 1 20 2 -2 22 3 -1 22 4 -2 23 5 -1 6 16 2 7 17 2 8 16 1 9 11 1 9 18 2 10 17 1 10 19 2 11 21 1 12 13 1 12 20 1 23 13 -2 14 16 1 14 20 1 15 17 1 15 22 1 18 23 1 19 21 1 19 23 1 21 22 1', '23 24 C:22 17.99 -11.32 C:22 15.55 -7.10 C:20 12.18 -15.16 C:25 14.06 -15.18 C:15 16.66 -10.44 O 19.17 -9.18 O 10.74 -11.31 O 20.37 -7.15 C:122 16.77 -13.44 C:125 13.12 -11.32 C:23 15.55 -14.14 C:30 16.77 -9.20 C:25 15.55 -9.92 C:41 17.99 -7.10 C:39 11.91 -13.44 C:179 19.18 -7.81 C:211 11.91 -12.01 C:135 16.77 -12.01 C:144 14.34 -12.01 C:31 16.77 -7.81 C:48 14.34 -13.44 C:43 13.12 -14.14 C:38 15.55 -11.32 1 18 1 20 2 -2 22 3 -1 22 4 -2 23 5 -1 6 16 2 7 17 2 8 16 1 9 11 1 9 18 2 10 17 1 10 19 2 11 21 1 12 13 1 12 20 1 23 13 -2 14 16 1 14 20 1 15 17 1 15 22 1 18 23 1 19 21 1 19 23 1 21 22 1', 'C20H30O3', 318.212, 'C', 'ph_45_1469_2', 619, '', 'Halimanes', '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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(905, 'Salviasperanol ', '', 'Terpenoids', 'Diterpenoids', 'Icetexanes', '[CH3:16][CH:15]([CH3:17])[c:13]4[cH:14][c:8]2[c:9]([CH2:20][C@@:10]13[CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C:5]1=[CH:6][C@H:7]2O3)[c:11](O)[c:12]4O', 'CC(C)c4cc2c(C[C@@]13CCC[C@](C)(C)C1=C[C@H]2O3)c(O)c4O', '[CH3:22][CH:27]([CH3:23])[c:131]4[cH:112][c:131]2[c:117]([CH2:30][C@@:84]13[CH2:39][CH2:19][CH2:40][C@:34]([CH3:30])([CH3:28])[C:150]1=[CH:128][C@H:80]2O3)[c:143](O)[c:140]4O', '23 26 C:17 20.25 -11.95 C:16 20.43 -9.58 C:19 11.21 -14.22 C:18 12.58 -14.22 O 18.41 -8.25 O 15.72 -8.05 C:6 14.16 -13.20 C:14 17.49 -11.76 C:2 10.71 -10.95 C:3 10.71 -12.33 C:1 11.89 -10.27 C:20 14.16 -10.09 O 14.75 -11.53 C:5 13.09 -12.33 C:12 17.66 -9.37 C:11 16.30 -9.27 C:13 18.28 -10.62 C:8 16.13 -11.65 C:9 15.52 -10.41 C:15 19.64 -10.72 C:7 15.52 -12.91 C:4 11.89 -13.02 C:10 13.09 -10.95 1 20 1 2 20 1 22 3 -1 22 4 -2 5 15 1 6 16 1 7 14 2 7 21 1 8 17 2 8 18 1 9 10 1 9 11 1 10 22 1 11 23 1 12 19 1 12 23 1 21 13 -1 23 13 -1 14 22 1 14 23 1 15 16 2 15 17 1 16 19 1 17 20 1 18 19 2 18 21 1', '23 26 C 20.25 -11.95 C 20.43 -9.58 C 11.21 -14.22 C 12.58 -14.22 O 18.41 -8.25 O 15.72 -8.05 C 14.16 -13.20 C 17.49 -11.76 C 10.71 -10.95 C 10.71 -12.33 C 11.89 -10.27 C 14.16 -10.09 O 14.75 -11.53 C 13.09 -12.33 C 17.66 -9.37 C 16.30 -9.27 C 18.28 -10.62 C 16.13 -11.65 C 15.52 -10.41 C 19.64 -10.72 C 15.52 -12.91 C 11.89 -13.02 C 13.09 -10.95 1 20 1 2 20 1 22 3 -1 22 4 -2 5 15 1 6 16 1 7 14 2 7 21 1 8 17 2 8 18 1 9 10 1 9 11 1 10 22 1 11 23 1 12 19 1 12 23 1 21 13 -1 23 13 -1 14 22 1 14 23 1 15 16 2 15 17 1 16 19 1 17 20 1 18 19 2 18 21 1', '23 26 C:23 20.25 -11.95 C:22 20.43 -9.58 C:28 11.21 -14.22 C:30 12.58 -14.22 O 18.41 -8.25 O 15.72 -8.05 C:128 14.16 -13.20 C:112 17.49 -11.76 C:19 10.71 -10.95 C:40 10.71 -12.33 C:39 11.89 -10.27 C:30 14.16 -10.09 O 14.75 -11.53 C:150 13.09 -12.33 C:140 17.66 -9.37 C:143 16.30 -9.27 C:131 18.28 -10.62 C:131 16.13 -11.65 C:117 15.52 -10.41 C:27 19.64 -10.72 C:80 15.52 -12.91 C:34 11.89 -13.02 C:84 13.09 -10.95 1 20 1 2 20 1 22 3 -1 22 4 -2 5 15 1 6 16 1 7 14 2 7 21 1 8 17 2 8 18 1 9 10 1 9 11 1 10 22 1 11 23 1 12 19 1 12 23 1 21 13 -1 23 13 -1 14 22 1 14 23 1 15 16 2 15 17 1 16 19 1 17 20 1 18 19 2 18 21 1', 'C20H26O3', 314.212, 'C', 'ph39_139_1', 596, '', '', '1', 1, NULL, NULL),
(906, '5,6-Dihydro-6a-hydroxysalviasperanol ', '', 'Terpenoids', 'Diterpenoids', 'Icetexanes', '[H][C@@:5]12[C@@H:6](O)[C@H:7]4O[C@@:10]1([CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19])[CH2:20][c:9]3[c:11](O)[c:12](O)[c:13]([CH:15]([CH3:16])[CH3:17])[cH:14][c:8]34', '[H][C@@]12[C@@H](O)[C@H]4O[C@@]1(CCC[C@]2(C)C)Cc3c(O)c(O)c(C(C)C)cc34', '[H][C@@:58]12[C@@H:78](O)[C@H:78]4O[C@@:81]1([CH2:30][CH2:15][CH2:39][C@:31]2([CH3:30])[CH3:28])[CH2:30][c:117]3[c:142](O)[c:140](O)[c:132]([CH:27]([CH3:23])[CH3:23])[cH:116][c:127]34', '25 28 H 13.10 -13.22 C:17 20.30 -11.77 C:16 20.49 -9.39 C:19 11.19 -14.06 C:18 12.57 -14.06 O 18.46 -8.04 O 15.74 -7.83 O 13.84 -14.40 C:14 17.54 -11.58 C:2 10.68 -10.76 C:3 10.68 -12.16 C:1 11.88 -10.06 C:20 14.17 -9.90 O 14.77 -11.35 C:12 17.71 -9.17 C:11 16.33 -9.07 C:13 18.32 -10.42 C:8 16.16 -11.47 C:9 15.53 -10.21 C:15 19.70 -10.52 C:6 14.17 -13.02 C:7 15.53 -12.73 C:4 11.88 -12.84 C:5 13.08 -12.16 C:10 13.08 -10.76 24 1 -2 2 20 1 3 20 1 23 4 -1 23 5 -2 6 15 1 7 16 1 21 8 -2 9 17 2 9 18 1 10 11 1 10 12 1 11 23 1 12 25 1 13 19 1 13 25 1 22 14 -1 25 14 -1 15 16 2 15 17 1 16 19 1 17 20 1 18 19 2 18 22 1 21 22 1 21 24 1 23 24 1 24 25 1', '25 28 H 13.10 -13.22 C 20.30 -11.77 C 20.49 -9.39 C 11.19 -14.06 C 12.57 -14.06 O 18.46 -8.04 O 15.74 -7.83 O 13.84 -14.40 C 17.54 -11.58 C 10.68 -10.76 C 10.68 -12.16 C 11.88 -10.06 C 14.17 -9.90 O 14.77 -11.35 C 17.71 -9.17 C 16.33 -9.07 C 18.32 -10.42 C 16.16 -11.47 C 15.53 -10.21 C 19.70 -10.52 C 14.17 -13.02 C 15.53 -12.73 C 11.88 -12.84 C 13.08 -12.16 C 13.08 -10.76 24 1 -2 2 20 1 3 20 1 23 4 -1 23 5 -2 6 15 1 7 16 1 21 8 -2 9 17 2 9 18 1 10 11 1 10 12 1 11 23 1 12 25 1 13 19 1 13 25 1 22 14 -1 25 14 -1 15 16 2 15 17 1 16 19 1 17 20 1 18 19 2 18 22 1 21 22 1 21 24 1 23 24 1 24 25 1', '25 28 H 13.10 -13.22 C:23 20.30 -11.77 C:23 20.49 -9.39 C:28 11.19 -14.06 C:30 12.57 -14.06 O 18.46 -8.04 O 15.74 -7.83 O 13.84 -14.40 C:116 17.54 -11.58 C:15 10.68 -10.76 C:39 10.68 -12.16 C:30 11.88 -10.06 C:30 14.17 -9.90 O 14.77 -11.35 C:140 17.71 -9.17 C:142 16.33 -9.07 C:132 18.32 -10.42 C:127 16.16 -11.47 C:117 15.53 -10.21 C:27 19.70 -10.52 C:78 14.17 -13.02 C:78 15.53 -12.73 C:31 11.88 -12.84 C:58 13.08 -12.16 C:81 13.08 -10.76 24 1 -2 2 20 1 3 20 1 23 4 -1 23 5 -2 6 15 1 7 16 1 21 8 -2 9 17 2 9 18 1 10 11 1 10 12 1 11 23 1 12 25 1 13 19 1 13 25 1 22 14 -1 25 14 -1 15 16 2 15 17 1 16 19 1 17 20 1 18 19 2 18 22 1 21 22 1 21 24 1 23 24 1 24 25 1', 'C20H28O4', 332.22, 'C', 'ph39_139_2', 596, '', '', '1', 1, NULL, NULL),
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(920, '3-Hydroxymegastigm-5-en-9-one', '', 'Terpenoids', 'Miscellanea', 'Megastigmanes', '[CH3:10][C:9](=O)[CH2:8][CH2:7][C:6]1=[C:5]([CH3:13])[CH2:4][C@H:3](O)[CH2:2][C@@:1]1([CH3:12])[CH3:11]', 'CC(=O)CCC1=C(C)C[C@H](O)C[C@@]1(C)C', '[CH3:28][C:209](=O)[CH2:42][CH2:22][C:136]1=[C:125]([CH3:20])[CH2:44][C@H:65](O)[CH2:48][C@@:38]1([CH3:29])[CH3:29]', '15 15 C:10 19.79 -11.17 C:13 16.15 -13.27 C:12 14.42 -9.26 C:11 13.02 -9.26 O 18.59 -9.07 O 11.30 -13.27 C:8 17.36 -11.17 C:7 16.15 -10.47 C:4 13.72 -13.27 C:2 12.51 -11.17 C:9 18.58 -10.47 C:5 14.93 -12.57 C:6 14.93 -11.17 C:3 12.51 -12.57 C:1 13.72 -10.47 1 11 1 2 12 1 15 3 -2 15 4 -1 5 11 2 14 6 -2 7 8 1 7 11 1 8 13 1 9 12 1 9 14 1 10 14 1 10 15 1 12 13 2 13 15 1', '15 15 C 19.79 -11.17 C 16.15 -13.27 C 14.42 -9.26 C 13.02 -9.26 O 18.59 -9.07 O 11.30 -13.27 C 17.36 -11.17 C 16.15 -10.47 C 13.72 -13.27 C 12.51 -11.17 C 18.58 -10.47 C 14.93 -12.57 C 14.93 -11.17 C 12.51 -12.57 C 13.72 -10.47 1 11 1 2 12 1 15 3 -2 15 4 -1 5 11 2 14 6 -2 7 8 1 7 11 1 8 13 1 9 12 1 9 14 1 10 14 1 10 15 1 12 13 2 13 15 1', '15 15 C:28 19.79 -11.17 C:20 16.15 -13.27 C:29 14.42 -9.26 C:29 13.02 -9.26 O 18.59 -9.07 O 11.30 -13.27 C:42 17.36 -11.17 C:22 16.15 -10.47 C:44 13.72 -13.27 C:48 12.51 -11.17 C:209 18.58 -10.47 C:125 14.93 -12.57 C:136 14.93 -11.17 C:65 12.51 -12.57 C:38 13.72 -10.47 1 11 1 2 12 1 15 3 -2 15 4 -1 5 11 2 14 6 -2 7 8 1 7 11 1 8 13 1 9 12 1 9 14 1 10 14 1 10 15 1 12 13 2 13 15 1', 'C13H22O2', 210.138, 'C', 'ph_51_793_15', 1321, '', '', '1', 1, NULL, NULL),
(921, '9-Hydroxymegastigm-5-en-4-one', '', 'Terpenoids', 'Miscellanea', 'Megastigmanes', '[CH3:13][C:5]1=[C:6]([CH2:7][CH2:8][C@H:9]([CH3:10])O)[C@:1]([CH3:12])([CH3:11])[CH2:2][CH2:3][C:4]1=O', 'CC1=C(CC[C@H](C)O)[C@](C)(C)CCC1=O', '[CH3:12][C:131]1=[C:165]([CH2:37][CH2:38][C@H:68]([CH3:24])O)[C@:36]([CH3:27])([CH3:27])[CH2:27][CH2:34][C:199]1=O', '15 15 C:13 15.58 -12.54 C:10 19.22 -10.44 C:12 13.85 -8.53 C:11 12.45 -8.53 O 13.15 -13.94 O 18.02 -8.34 C:3 11.94 -11.84 C:7 15.58 -9.74 C:8 16.79 -10.44 C:2 11.94 -10.44 C:4 13.15 -12.54 C:5 14.36 -11.84 C:6 14.36 -10.44 C:9 18.01 -9.74 C:1 13.15 -9.74 1 12 1 2 14 1 15 3 -2 15 4 -1 5 11 2 14 6 -1 7 10 1 7 11 1 8 9 1 8 13 1 9 14 1 10 15 1 11 12 1 12 13 2 13 15 1', '15 15 C 15.58 -12.54 C 19.22 -10.44 C 13.85 -8.53 C 12.45 -8.53 O 13.15 -13.94 O 18.02 -8.34 C 11.94 -11.84 C 15.58 -9.74 C 16.79 -10.44 C 11.94 -10.44 C 13.15 -12.54 C 14.36 -11.84 C 14.36 -10.44 C 18.01 -9.74 C 13.15 -9.74 1 12 1 2 14 1 15 3 -2 15 4 -1 5 11 2 14 6 -1 7 10 1 7 11 1 8 9 1 8 13 1 9 14 1 10 15 1 11 12 1 12 13 2 13 15 1', '15 15 C:12 15.58 -12.54 C:24 19.22 -10.44 C:27 13.85 -8.53 C:27 12.45 -8.53 O 13.15 -13.94 O 18.02 -8.34 C:34 11.94 -11.84 C:37 15.58 -9.74 C:38 16.79 -10.44 C:27 11.94 -10.44 C:199 13.15 -12.54 C:131 14.36 -11.84 C:165 14.36 -10.44 C:68 18.01 -9.74 C:36 13.15 -9.74 1 12 1 2 14 1 15 3 -2 15 4 -1 5 11 2 14 6 -1 7 10 1 7 11 1 8 9 1 8 13 1 9 14 1 10 15 1 11 12 1 12 13 2 13 15 1', 'C13H22O2', 210.138, 'C', 'ph_51_793_16', 1321, '', '', '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
(922, 'Megastigm-5-en-3,9-diol', '', 'Terpenoids', 'Miscellanea', 'Megastigmanes', '[CH3:13][C:5]1=[C:6]([CH2:7][CH2:8][CH:9]([CH3:10])O)[C@:1]([CH3:12])([CH3:11])[CH2:2][CH:3](O)[CH2:4]1', 'CC1=C(CCC(C)O)[C@](C)(C)CC(O)C1', '[CH3:20][C:124]1=[C:137]([CH2:24][CH2:40][CH:69]([CH3:23])O)[C@:38]([CH3:30])([CH3:29])[CH2:49][CH:65](O)[CH2:42]1', '15 15 C:13 16.15 -13.27 C:10 19.79 -11.17 C:12 14.42 -9.26 C:11 13.02 -9.26 O 18.59 -9.07 O 11.30 -13.27 C:7 16.15 -10.47 C:8 17.36 -11.17 C:4 13.72 -13.27 C:2 12.51 -11.17 C:5 14.93 -12.57 C:6 14.93 -11.17 C:9 18.58 -10.47 C:3 12.51 -12.57 C:1 13.72 -10.47 1 11 1 2 13 1 15 3 -2 15 4 -1 5 13 1 6 14 1 7 8 1 7 12 1 8 13 1 9 11 1 9 14 1 10 14 1 10 15 1 11 12 2 12 15 1', '15 15 C 16.15 -13.27 C 19.79 -11.17 C 14.42 -9.26 C 13.02 -9.26 O 18.59 -9.07 O 11.30 -13.27 C 16.15 -10.47 C 17.36 -11.17 C 13.72 -13.27 C 12.51 -11.17 C 14.93 -12.57 C 14.93 -11.17 C 18.58 -10.47 C 12.51 -12.57 C 13.72 -10.47 1 11 1 2 13 1 15 3 -2 15 4 -1 5 13 1 6 14 1 7 8 1 7 12 1 8 13 1 9 11 1 9 14 1 10 14 1 10 15 1 11 12 2 12 15 1', '15 15 C:20 16.15 -13.27 C:23 19.79 -11.17 C:30 14.42 -9.26 C:29 13.02 -9.26 O 18.59 -9.07 O 11.30 -13.27 C:24 16.15 -10.47 C:40 17.36 -11.17 C:42 13.72 -13.27 C:49 12.51 -11.17 C:124 14.93 -12.57 C:137 14.93 -11.17 C:69 18.58 -10.47 C:65 12.51 -12.57 C:38 13.72 -10.47 1 11 1 2 13 1 15 3 -2 15 4 -1 5 13 1 6 14 1 7 8 1 7 12 1 8 13 1 9 11 1 9 14 1 10 14 1 10 15 1 11 12 2 12 15 1', 'C13H24O2', 212.138, 'C', 'ph_51_793_17', 1321, '', '', '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
(935, 'Kansuinin E', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]45[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[CH:7](O[C:7001]([CH3:7002])=O)[CH:8](O[C:8001](=O)[c:8002]1[cH:8007][cH:8006][cH:8005][cH:8004][cH:8003]1)[CH:9](O[C:9001](=O)[c:9002]2[cH:9007][cH:9006][cH:9005]n[cH:9003]2)[C:10]([CH3:18])([CH3:19])[CH:11]3O[CH:12]3[CH:13]([CH3:20])[C:14](=O)[C@@:15]4(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]5O[C:3001]([CH3:3002])=O', '[H][C@@]45[C@@H](OC(C)=O)C(=C)C(OC(C)=O)C(OC(=O)c1ccccc1)C(OC(=O)c2cccnc2)C(C)(C)C3OC3C(C)C(=O)[C@@]4(OC(C)=O)C[C@H](C)[C@@H]5OC(C)=O', '[H][C@@:55]45[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:112])[CH:71](O[C:170]([CH3:21])=O)[CH:69](O[C:165](=O)[c:129]1[cH:130][cH:129][cH:133][cH:129][cH:130]1)[CH:80](O[C:164](=O)[c:137]2[cH:143][cH:124][cH:154]n[cH:151]2)[C:39]([CH3:18])([CH3:26])[CH:62]3O[CH:58]3[CH:44]([CH3:17])[C:217](=O)[C@@:93]4(O[C:169]([CH3:20])=O)[CH2:46][C@H:39]([CH3:13])[C@@H:76]5O[C:170]([CH3:21])=O', '57 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2 3 36 1 4 37 1 5 38 1 6 39 1 46 7 -1 8 47 1 9 55 1 10 55 1 11 36 2 12 37 2 13 38 2 14 39 2 15 41 2 16 42 2 17 43 2 18 19 1 18 20 2 19 23 2 20 24 1 21 22 2 21 25 1 22 28 1 23 44 1 24 44 2 25 45 2 26 28 2 26 45 1 27 46 1 27 57 1 29 36 1 29 48 1 30 37 1 49 30 -2 31 38 1 52 31 -1 32 41 1 32 50 1 33 42 1 33 53 1 34 39 1 57 34 -1 35 51 1 35 54 1 40 48 1 40 49 1 41 44 1 42 45 1 43 47 1 43 57 1 46 52 1 47 51 1 48 50 1 49 56 1 50 53 1 51 54 1 52 56 1 53 55 1 54 55 1 56 57 1', '57 61 H 11.31 -10.11 C 14.86 -8.88 C 13.28 -14.46 C 11.35 -13.75 C 8.28 -12.66 C 9.62 -4.76 C 8.26 -8.47 C 14.86 -5.45 C 19.17 -8.95 C 18.63 -7.63 O 12.37 -12.94 O 10.03 -12.06 O 7.98 -10.34 O 9.05 -7.11 O 15.04 -13.44 O 18.16 -12.99 O 12.37 -5.45 C 17.97 -17.53 C 16.59 -17.33 C 18.84 -16.44 C 22.97 -12.32 C 23.17 -13.71 C 16.08 -16.03 C 18.32 -15.15 C 21.68 -11.80 C 20.76 -14.04 C 10.52 -7.31 N 22.05 -14.56 O 14.77 -12.54 O 12.35 -11.52 O 10.09 -10.99 O 17.29 -12.54 O 19.08 -10.74 O 11.37 -6.42 O 15.85 -6.46 C 13.48 -13.07 C 11.21 -12.36 C 8.72 -11.30 C 10.01 -6.10 C 14.30 -10.20 C 16.43 -13.64 C 19.27 -12.13 C 12.89 -6.74 C 16.94 -14.94 C 20.57 -12.66 C 9.70 -8.47 C 14.30 -6.74 C 15.32 -11.20 C 12.89 -10.20 C 16.77 -11.20 C 15.32 -7.76 C 10.52 -9.62 C 17.75 -10.20 C 16.77 -7.76 C 17.75 -8.77 C 11.88 -9.18 C 11.88 -7.76 56 1 -2 2 40 2 3 36 1 4 37 1 5 38 1 6 39 1 46 7 -1 8 47 1 9 55 1 10 55 1 11 36 2 12 37 2 13 38 2 14 39 2 15 41 2 16 42 2 17 43 2 18 19 1 18 20 2 19 23 2 20 24 1 21 22 2 21 25 1 22 28 1 23 44 1 24 44 2 25 45 2 26 28 2 26 45 1 27 46 1 27 57 1 29 36 1 29 48 1 30 37 1 49 30 -2 31 38 1 52 31 -1 32 41 1 32 50 1 33 42 1 33 53 1 34 39 1 57 34 -1 35 51 1 35 54 1 40 48 1 40 49 1 41 44 1 42 45 1 43 47 1 43 57 1 46 52 1 47 51 1 48 50 1 49 56 1 50 53 1 51 54 1 52 56 1 53 55 1 54 55 1 56 57 1', '57 61 H 11.31 -10.11 C:112 14.86 -8.88 C:21 13.28 -14.46 C:21 11.35 -13.75 C:21 8.28 -12.66 C:20 9.62 -4.76 C:13 8.26 -8.47 C:17 14.86 -5.45 C:26 19.17 -8.95 C:18 18.63 -7.63 O 12.37 -12.94 O 10.03 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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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(948, '', '5-O-(2''E,4''E-Decadienoyl)ingenol', 'Terpenoids', 'Diterpenoids', 'Ingenanes', '[H][C@:8]23[CH:7]=[C:6]([CH2:20]O)[CH:5](O[C:5001](=O)[CH:5002]=[CH:5003][CH:5004]=[CH:5005][CH2:5006][CH2:5007][CH2:5008][CH2:5009][CH3:5010])[C@:4]1(O)[C@@H:3](O)[C:2]([CH3:19])=[CH:1][C@@:10]1([C:9]2=O)[C@H:11]([CH3:18])[CH2:12][C@@:13]4([H])[C@@:15]([CH3:16])([CH3:17])[C@@:14]34[H]', '[H][C@]23C=C(CO)C(OC(=O)C=CC=CCCCCC)[C@]1(O)[C@@H](O)C(C)=C[C@@]1(C2=O)[C@H](C)C[C@@]4([H])[C@@](C)(C)[C@@]34[H]', '[H][C@:44]23[CH:129]=[C:139]([CH2:65]O)[CH:75](O[C:167](=O)[CH:117]=[CH:148][CH:127]=[CH:143][CH2:33][CH2:28][CH2:31][CH2:23][CH3:14])[C@:86]1(O)[C@@H:79](O)[C:140]([CH3:16])=[CH:128][C@@:74]1([C:207]2=O)[C@H:39]([CH3:18])[CH2:32][C@@:24]4([H])[C@@:24]([CH3:29])([CH3:16])[C@@:23]34[H]', '39 42 H 20.52 -6.56 H 18.92 -2.98 H 20.93 -5.21 C:5010 9.19 -19.82 C:19 12.91 -6.35 C:18 15.31 -4.30 C:16 21.94 -3.66 C:17 21.11 -2.46 O 14.35 -9.97 O 18.05 -4.82 O 18.65 -11.48 O 14.24 -9.28 O 16.06 -9.26 C:5004 13.72 -14.12 C:5003 13.93 -12.75 C:5005 12.42 -14.64 C:5002 15.24 -12.24 C:7 19.70 -7.91 C:1 15.46 -5.73 C:5009 9.40 -18.43 C:20 19.42 -10.32 C:5006 12.21 -16.02 C:5008 10.70 -17.92 C:5007 10.91 -16.53 C:12 17.63 -3.98 O 16.75 -10.34 C:2 14.33 -6.68 C:5001 15.45 -10.85 C:6 18.79 -9.05 C:9 18.06 -5.86 C:11 16.61 -4.95 C:3 14.94 -8.05 C:5 17.34 -9.05 C:15 20.50 -3.81 C:8 19.37 -6.49 C:13 19.06 -4.00 C:14 19.89 -5.08 C:4 16.38 -7.91 C:10 16.73 -6.49 35 1 -1 36 2 -2 37 3 -2 4 20 1 5 27 1 31 6 -2 34 7 -2 34 8 -1 9 28 2 10 30 2 11 21 1 32 12 -1 38 13 -1 14 15 1 14 16 2 15 17 2 16 22 1 17 28 1 18 29 2 18 35 1 19 27 2 39 19 -2 20 23 1 21 29 1 22 24 1 23 24 1 25 31 1 25 36 1 26 28 1 26 33 1 27 32 1 29 33 1 30 35 1 39 30 -2 31 39 1 32 38 1 33 38 1 34 36 1 34 37 1 35 37 1 36 37 1 38 39 1', '39 42 H 20.52 -6.56 H 18.92 -2.98 H 20.93 -5.21 C 9.19 -19.82 C 12.91 -6.35 C 15.31 -4.30 C 21.94 -3.66 C 21.11 -2.46 O 14.35 -9.97 O 18.05 -4.82 O 18.65 -11.48 O 14.24 -9.28 O 16.06 -9.26 C 13.72 -14.12 C 13.93 -12.75 C 12.42 -14.64 C 15.24 -12.24 C 19.70 -7.91 C 15.46 -5.73 C 9.40 -18.43 C 19.42 -10.32 C 12.21 -16.02 C 10.70 -17.92 C 10.91 -16.53 C 17.63 -3.98 O 16.75 -10.34 C 14.33 -6.68 C 15.45 -10.85 C 18.79 -9.05 C 18.06 -5.86 C 16.61 -4.95 C 14.94 -8.05 C 17.34 -9.05 C 20.50 -3.81 C 19.37 -6.49 C 19.06 -4.00 C 19.89 -5.08 C 16.38 -7.91 C 16.73 -6.49 35 1 -1 36 2 -2 37 3 -2 4 20 1 5 27 1 31 6 -2 34 7 -2 34 8 -1 9 28 2 10 30 2 11 21 1 32 12 -1 38 13 -1 14 15 1 14 16 2 15 17 2 16 22 1 17 28 1 18 29 2 18 35 1 19 27 2 39 19 -2 20 23 1 21 29 1 22 24 1 23 24 1 25 31 1 25 36 1 26 28 1 26 33 1 27 32 1 29 33 1 30 35 1 39 30 -2 31 39 1 32 38 1 33 38 1 34 36 1 34 37 1 35 37 1 36 37 1 38 39 1', '39 42 H 20.52 -6.56 H 18.92 -2.98 H 20.93 -5.21 C:14 9.19 -19.82 C:16 12.91 -6.35 C:18 15.31 -4.30 C:29 21.94 -3.66 C:16 21.11 -2.46 O 14.35 -9.97 O 18.05 -4.82 O 18.65 -11.48 O 14.24 -9.28 O 16.06 -9.26 C:127 13.72 -14.12 C:148 13.93 -12.75 C:143 12.42 -14.64 C:117 15.24 -12.24 C:129 19.70 -7.91 C:128 15.46 -5.73 C:23 9.40 -18.43 C:65 19.42 -10.32 C:33 12.21 -16.02 C:31 10.70 -17.92 C:28 10.91 -16.53 C:32 17.63 -3.98 O 16.75 -10.34 C:140 14.33 -6.68 C:167 15.45 -10.85 C:139 18.79 -9.05 C:207 18.06 -5.86 C:39 16.61 -4.95 C:79 14.94 -8.05 C:75 17.34 -9.05 C:24 20.50 -3.81 C:44 19.37 -6.49 C:24 19.06 -4.00 C:23 19.89 -5.08 C:86 16.38 -7.91 C:74 16.73 -6.49 35 1 -1 36 2 -2 37 3 -2 4 20 1 5 27 1 31 6 -2 34 7 -2 34 8 -1 9 28 2 10 30 2 11 21 1 32 12 -1 38 13 -1 14 15 1 14 16 2 15 17 2 16 22 1 17 28 1 18 29 2 18 35 1 19 27 2 39 19 -2 20 23 1 21 29 1 22 24 1 23 24 1 25 31 1 25 36 1 26 28 1 26 33 1 27 32 1 29 33 1 30 35 1 39 30 -2 31 39 1 32 38 1 33 38 1 34 36 1 34 37 1 35 37 1 36 37 1 38 39 1', 'C30H42O6', 498.341, 'C', 'np02_1246_9', 2409, '', '', '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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(973, '', 'ent-18-Acetoxy-11a -hydroxykaur-16-en-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O)[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)CCC[C@]3(C)COC(C)=O)C(=C)C4=O', '[H][C@:49]23[CH2:18][CH2:33][C@@:50]14[CH2:37][C@H:37]([CH2:41][C@H:66](O)[C@@:64]1([H])[C@:39]2([CH3:18])[CH2:39][CH2:18][CH2:36][C@:37]3([CH3:18])[CH2:72]O[C:171]([CH3:21])=O)[C:150](=[CH2:113])[C:210]4=O', '28 31 H 13.74 -11.48 H 14.94 -9.35 C:17 19.90 -7.63 C:18002 15.43 -14.31 C:19 11.47 -12.14 C:20 13.72 -7.68 O 13.63 -15.99 O 18.42 -10.60 O 13.71 -6.25 C:2 11.28 -9.07 C:3 11.28 -10.48 C:6 14.94 -11.20 C:1 12.49 -8.37 C:7 16.16 -10.48 C:18 13.46 -12.24 C:12 16.16 -6.25 C:14 17.37 -8.37 O 13.05 -13.60 C:18001 14.03 -14.64 C:16 18.52 -7.96 C:15 17.73 -9.37 C:13 17.37 -6.97 C:11 14.94 -6.97 C:5 13.72 -10.48 C:4 12.49 -11.20 C:9 14.94 -8.37 C:10 13.72 -9.07 C:8 16.16 -9.07 24 1 -1 26 2 -1 3 20 2 4 19 1 25 5 -2 27 6 -2 7 19 2 8 21 2 23 9 -1 10 11 1 10 13 1 11 25 1 12 14 1 12 24 1 13 27 1 14 28 1 15 18 1 25 15 -1 16 22 1 16 23 1 22 17 -2 28 17 -2 18 19 1 20 21 1 20 22 1 21 28 1 23 26 1 24 25 1 24 27 1 26 27 1 26 28 1', '28 31 H 13.74 -11.48 H 14.94 -9.35 C 19.90 -7.63 C 15.43 -14.31 C 11.47 -12.14 C 13.72 -7.68 O 13.63 -15.99 O 18.42 -10.60 O 13.71 -6.25 C 11.28 -9.07 C 11.28 -10.48 C 14.94 -11.20 C 12.49 -8.37 C 16.16 -10.48 C 13.46 -12.24 C 16.16 -6.25 C 17.37 -8.37 O 13.05 -13.60 C 14.03 -14.64 C 18.52 -7.96 C 17.73 -9.37 C 17.37 -6.97 C 14.94 -6.97 C 13.72 -10.48 C 12.49 -11.20 C 14.94 -8.37 C 13.72 -9.07 C 16.16 -9.07 24 1 -1 26 2 -1 3 20 2 4 19 1 25 5 -2 27 6 -2 7 19 2 8 21 2 23 9 -1 10 11 1 10 13 1 11 25 1 12 14 1 12 24 1 13 27 1 14 28 1 15 18 1 25 15 -1 16 22 1 16 23 1 22 17 -2 28 17 -2 18 19 1 20 21 1 20 22 1 21 28 1 23 26 1 24 25 1 24 27 1 26 27 1 26 28 1', '28 31 H 13.74 -11.48 H 14.94 -9.35 C:113 19.90 -7.63 C:21 15.43 -14.31 C:18 11.47 -12.14 C:18 13.72 -7.68 O 13.63 -15.99 O 18.42 -10.60 O 13.71 -6.25 C:18 11.28 -9.07 C:36 11.28 -10.48 C:18 14.94 -11.20 C:39 12.49 -8.37 C:33 16.16 -10.48 C:72 13.46 -12.24 C:41 16.16 -6.25 C:37 17.37 -8.37 O 13.05 -13.60 C:171 14.03 -14.64 C:150 18.52 -7.96 C:210 17.73 -9.37 C:37 17.37 -6.97 C:66 14.94 -6.97 C:49 13.72 -10.48 C:37 12.49 -11.20 C:64 14.94 -8.37 C:39 13.72 -9.07 C:50 16.16 -9.07 24 1 -1 26 2 -1 3 20 2 4 19 1 25 5 -2 27 6 -2 7 19 2 8 21 2 23 9 -1 10 11 1 10 13 1 11 25 1 12 14 1 12 24 1 13 27 1 14 28 1 15 18 1 25 15 -1 16 22 1 16 23 1 22 17 -2 28 17 -2 18 19 1 20 21 1 20 22 1 21 28 1 23 26 1 24 25 1 24 27 1 26 27 1 26 28 1', 'C22H32O4', 360.249, 'C', 'cpb05_296_3', 1792, '', '', '1', 1, NULL, NULL),
(974, '', 'ent-11a-Acetoxykaur-16-en-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][C:16](=[CH2:17])[C@@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[C:18](=O)O)[CH2:14]4', '[H][C@]23CC[C@]14CC(=C)[C@@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)CCC[C@]3(C)C(=O)O)C4', '[H][C@:50]23[CH2:23][CH2:40][C@:43]14[CH2:48][C:155](=[CH2:103])[C@@H:42]([CH2:40][C@H:69](O[C:170]([CH3:22])=O)[C@@:62]1([H])[C@:38]2([CH3:18])[CH2:39][CH2:18][CH2:37][C@:48]3([CH3:16])[C:184](=O)O)[CH2:39]4', '28 31 H 13.69 -13.75 H 14.91 -11.63 C:17 19.87 -9.90 C:11002 12.44 -6.42 C:19 11.41 -14.41 C:20 13.67 -9.95 O 14.88 -6.42 O 14.79 -14.17 O 13.00 -15.86 C:2 11.22 -11.34 C:3 11.22 -12.74 C:6 14.91 -13.48 C:1 12.44 -10.64 C:7 16.12 -12.74 C:12 16.12 -8.52 C:15 17.69 -11.65 C:14 17.33 -10.64 O 13.67 -8.52 C:11001 13.67 -7.12 C:16 18.49 -10.23 C:18 13.41 -14.50 C:13 17.33 -9.23 C:11 14.91 -9.23 C:5 13.67 -12.74 C:4 12.44 -13.48 C:9 14.91 -10.64 C:10 13.67 -11.34 C:8 16.12 -11.34 24 1 -1 26 2 -1 3 20 2 4 19 1 25 5 -2 27 6 -2 7 19 2 8 21 2 9 21 1 10 11 1 10 13 1 11 25 1 12 14 1 12 24 1 13 27 1 14 28 1 15 22 1 15 23 1 16 20 1 16 28 1 22 17 -2 28 17 -2 18 19 1 23 18 -1 20 22 1 25 21 -1 23 26 1 24 25 1 24 27 1 26 27 1 26 28 1', '28 31 H 13.69 -13.75 H 14.91 -11.63 C 19.87 -9.90 C 12.44 -6.42 C 11.41 -14.41 C 13.67 -9.95 O 14.88 -6.42 O 14.79 -14.17 O 13.00 -15.86 C 11.22 -11.34 C 11.22 -12.74 C 14.91 -13.48 C 12.44 -10.64 C 16.12 -12.74 C 16.12 -8.52 C 17.69 -11.65 C 17.33 -10.64 O 13.67 -8.52 C 13.67 -7.12 C 18.49 -10.23 C 13.41 -14.50 C 17.33 -9.23 C 14.91 -9.23 C 13.67 -12.74 C 12.44 -13.48 C 14.91 -10.64 C 13.67 -11.34 C 16.12 -11.34 24 1 -1 26 2 -1 3 20 2 4 19 1 25 5 -2 27 6 -2 7 19 2 8 21 2 9 21 1 10 11 1 10 13 1 11 25 1 12 14 1 12 24 1 13 27 1 14 28 1 15 22 1 15 23 1 16 20 1 16 28 1 22 17 -2 28 17 -2 18 19 1 23 18 -1 20 22 1 25 21 -1 23 26 1 24 25 1 24 27 1 26 27 1 26 28 1', '28 31 H 13.69 -13.75 H 14.91 -11.63 C:103 19.87 -9.90 C:22 12.44 -6.42 C:16 11.41 -14.41 C:18 13.67 -9.95 O 14.88 -6.42 O 14.79 -14.17 O 13.00 -15.86 C:18 11.22 -11.34 C:37 11.22 -12.74 C:23 14.91 -13.48 C:39 12.44 -10.64 C:40 16.12 -12.74 C:40 16.12 -8.52 C:48 17.69 -11.65 C:39 17.33 -10.64 O 13.67 -8.52 C:170 13.67 -7.12 C:155 18.49 -10.23 C:184 13.41 -14.50 C:42 17.33 -9.23 C:69 14.91 -9.23 C:50 13.67 -12.74 C:48 12.44 -13.48 C:62 14.91 -10.64 C:38 13.67 -11.34 C:43 16.12 -11.34 24 1 -1 26 2 -1 3 20 2 4 19 1 25 5 -2 27 6 -2 7 19 2 8 21 2 9 21 1 10 11 1 10 13 1 11 25 1 12 14 1 12 24 1 13 27 1 14 28 1 15 22 1 15 23 1 16 20 1 16 28 1 22 17 -2 28 17 -2 18 19 1 23 18 -1 20 22 1 25 21 -1 23 26 1 24 25 1 24 27 1 26 27 1 26 28 1', 'C22H32O4', 360.249, 'C', 'cpb05_296_4', 1792, '', '', '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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