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
(2366, '7b,15a-dihydoxy-3-oxolup-20(29)-en-28-oic acid', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]45[CH2:6][C@H:7](O)[C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][C@H:15](O)[C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45C[C@H](O)[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C(=O)O)C[C@H](O)[C@]23C)[C@@]4(C)CCC(=O)[C@@]5(C)C', '[H][C@@:52]45[CH2:30][C@H:72](O)[C@:50]3([CH3:11])[C@:50]([H])([CH2:22][CH2:26][C@:38]2([H])[C@@:50]1([H])[C@H:48]([C:151](=[CH2:110])[CH3:20])[CH2:32][CH2:38][C@:55]1([C:179](=O)O)[CH2:42][C@H:69](O)[C@:49]23[CH3:9])[C@@:37]4([CH3:16])[CH2:40][CH2:34][C:216](=O)[C@@:47]5([CH3:21])[CH3:27]', '39 43 H 16.44 -14.04 H 20.21 -8.43 H 17.70 -11.86 H 21.47 -9.80 C:29 21.26 -4.94 C:30 19.43 -6.61 C:24 14.23 -15.07 C:23 16.02 -15.02 C:25 16.44 -10.21 C:27 20.21 -12.37 C:26 18.95 -10.21 O 25.16 -9.49 O 12.74 -13.83 O 23.94 -11.59 O 20.16 -13.83 O 21.46 -13.04 C:2 13.94 -11.64 C:21 23.20 -7.20 C:1 15.19 -10.92 C:12 18.95 -8.74 C:11 17.70 -9.48 C:22 23.78 -8.49 C:6 17.70 -13.83 C:16 22.74 -10.92 C:20 20.82 -6.31 C:28 23.95 -10.19 C:3 13.94 -13.11 C:7 18.95 -13.11 C:15 21.47 -11.64 C:19 21.77 -7.36 C:4 15.19 -13.83 C:5 16.44 -13.11 C:13 20.21 -9.48 C:9 17.70 -10.92 C:18 21.47 -8.74 C:10 16.44 -11.64 C:14 20.21 -10.92 C:8 18.95 -11.64 C:17 22.74 -9.48 32 1 -2 33 2 -1 34 3 -2 35 4 -2 5 25 2 6 25 1 31 7 -1 31 8 -2 36 9 -1 37 10 -2 38 11 -1 12 26 2 13 27 2 14 26 1 28 15 -1 29 16 -2 17 19 1 17 27 1 18 22 1 18 30 1 19 36 1 20 21 1 20 33 1 21 34 1 22 39 1 23 28 1 23 32 1 24 29 1 24 39 1 30 25 -2 39 26 -1 27 31 1 28 38 1 29 37 1 30 35 1 31 32 1 32 36 1 33 35 1 33 37 1 34 36 1 34 38 1 35 39 1 37 38 1', '39 43 H 16.44 -14.04 H 20.21 -8.43 H 17.70 -11.86 H 21.47 -9.80 C 21.26 -4.94 C 19.43 -6.61 C 14.23 -15.07 C 16.02 -15.02 C 16.44 -10.21 C 20.21 -12.37 C 18.95 -10.21 O 25.16 -9.49 O 12.74 -13.83 O 23.94 -11.59 O 20.16 -13.83 O 21.46 -13.04 C 13.94 -11.64 C 23.20 -7.20 C 15.19 -10.92 C 18.95 -8.74 C 17.70 -9.48 C 23.78 -8.49 C 17.70 -13.83 C 22.74 -10.92 C 20.82 -6.31 C 23.95 -10.19 C 13.94 -13.11 C 18.95 -13.11 C 21.47 -11.64 C 21.77 -7.36 C 15.19 -13.83 C 16.44 -13.11 C 20.21 -9.48 C 17.70 -10.92 C 21.47 -8.74 C 16.44 -11.64 C 20.21 -10.92 C 18.95 -11.64 C 22.74 -9.48 32 1 -2 33 2 -1 34 3 -2 35 4 -2 5 25 2 6 25 1 31 7 -1 31 8 -2 36 9 -1 37 10 -2 38 11 -1 12 26 2 13 27 2 14 26 1 28 15 -1 29 16 -2 17 19 1 17 27 1 18 22 1 18 30 1 19 36 1 20 21 1 20 33 1 21 34 1 22 39 1 23 28 1 23 32 1 24 29 1 24 39 1 30 25 -2 39 26 -1 27 31 1 28 38 1 29 37 1 30 35 1 31 32 1 32 36 1 33 35 1 33 37 1 34 36 1 34 38 1 35 39 1 37 38 1', '39 43 H 16.44 -14.04 H 20.21 -8.43 H 17.70 -11.86 H 21.47 -9.80 C:110 21.26 -4.94 C:20 19.43 -6.61 C:21 14.23 -15.07 C:27 16.02 -15.02 C:16 16.44 -10.21 C:9 20.21 -12.37 C:11 18.95 -10.21 O 25.16 -9.49 O 12.74 -13.83 O 23.94 -11.59 O 20.16 -13.83 O 21.46 -13.04 C:34 13.94 -11.64 C:32 23.20 -7.20 C:40 15.19 -10.92 C:26 18.95 -8.74 C:22 17.70 -9.48 C:38 23.78 -8.49 C:30 17.70 -13.83 C:42 22.74 -10.92 C:151 20.82 -6.31 C:179 23.95 -10.19 C:216 13.94 -13.11 C:72 18.95 -13.11 C:69 21.47 -11.64 C:48 21.77 -7.36 C:47 15.19 -13.83 C:52 16.44 -13.11 C:38 20.21 -9.48 C:50 17.70 -10.92 C:50 21.47 -8.74 C:37 16.44 -11.64 C:49 20.21 -10.92 C:50 18.95 -11.64 C:55 22.74 -9.48 32 1 -2 33 2 -1 34 3 -2 35 4 -2 5 25 2 6 25 1 31 7 -1 31 8 -2 36 9 -1 37 10 -2 38 11 -1 12 26 2 13 27 2 14 26 1 28 15 -1 29 16 -2 17 19 1 17 27 1 18 22 1 18 30 1 19 36 1 20 21 1 20 33 1 21 34 1 22 39 1 23 28 1 23 32 1 24 29 1 24 39 1 30 25 -2 39 26 -1 27 31 1 28 38 1 29 37 1 30 35 1 31 32 1 32 36 1 33 35 1 33 37 1 34 36 1 34 38 1 35 39 1 37 38 1', 'C30H46O5', 486.35, 'C', 'np02_278_6', 74, '', '', '1', 1, NULL, NULL),
(2367, 'Vibsanol A', '', 'Terpenoids', 'Diterpenoids', 'Vibsanes', '[CH3:104][C:103]([CH3:105])=[CH:102][C:101](=O)O[C@@H:8]1[CH:9]=[CH:10][C@@:11]([CH3:20])([CH2:12][CH:13]=[CH:14][C:15]([CH3:16])([CH3:17])O)[CH2:1][CH:2]=[C:3]([CH2:18]O)[C:4](=O)[CH:5]=[CH:6][C@@:7]1([CH3:19])O', 'CC(C)=CC(=O)O[C@@H]1C=C[C@@](C)(CC=CC(C)(C)O)CC=C(CO)C(=O)C=C[C@@]1(C)O', '[CH3:21][C:160]([CH3:28])=[CH:115][C:167](=O)O[C@@H:82]1[CH:123]=[CH:145][C@@:41]([CH3:23])([CH2:41][CH:122]=[CH:142][C:71]([CH3:30])([CH3:30])O)[CH2:44][CH:129]=[C:143]([CH2:65]O)[C:202](=O)[CH:129]=[CH:155][C@@:74]1([CH3:23])O', '31 31 C:104 10.30 -6.63 C:105 8.20 -7.84 C:16 21.98 -9.35 C:17 21.49 -11.72 C:19 15.15 -5.42 C:20 15.68 -10.17 O 12.40 -10.27 O 18.88 -4.86 O 20.81 -5.22 O 22.42 -10.68 O 13.29 -6.28 C:13 18.75 -11.15 C:5 16.93 -6.15 C:9 14.61 -8.97 C:14 19.68 -10.10 C:6 15.94 -7.14 C:10 15.94 -8.54 C:2 19.33 -8.54 C:102 10.30 -9.05 C:18 20.62 -6.61 C:12 17.37 -10.86 C:1 18.34 -9.53 O 12.40 -7.84 C:103 9.60 -7.84 C:101 11.70 -9.05 C:4 18.34 -6.15 C:3 19.33 -7.14 C:8 13.80 -7.84 C:15 21.05 -10.39 C:7 14.61 -6.71 C:11 16.93 -9.53 1 24 1 2 24 1 3 29 1 4 29 1 30 5 -1 31 6 -1 7 25 2 8 26 2 9 20 1 10 29 1 30 11 -2 12 15 2 12 21 1 13 16 2 13 26 1 14 17 2 14 28 1 15 29 1 16 30 1 17 31 1 18 22 1 18 27 2 19 24 2 19 25 1 20 27 1 31 21 -2 22 31 1 23 25 1 28 23 -1 26 27 1 28 30 1', '31 31 C 10.30 -6.63 C 8.20 -7.84 C 21.98 -9.35 C 21.49 -11.72 C 15.15 -5.42 C 15.68 -10.17 O 12.40 -10.27 O 18.88 -4.86 O 20.81 -5.22 O 22.42 -10.68 O 13.29 -6.28 C 18.75 -11.15 C 16.93 -6.15 C 14.61 -8.97 C 19.68 -10.10 C 15.94 -7.14 C 15.94 -8.54 C 19.33 -8.54 C 10.30 -9.05 C 20.62 -6.61 C 17.37 -10.86 C 18.34 -9.53 O 12.40 -7.84 C 9.60 -7.84 C 11.70 -9.05 C 18.34 -6.15 C 19.33 -7.14 C 13.80 -7.84 C 21.05 -10.39 C 14.61 -6.71 C 16.93 -9.53 1 24 1 2 24 1 3 29 1 4 29 1 30 5 -1 31 6 -1 7 25 2 8 26 2 9 20 1 10 29 1 30 11 -2 12 15 2 12 21 1 13 16 2 13 26 1 14 17 2 14 28 1 15 29 1 16 30 1 17 31 1 18 22 1 18 27 2 19 24 2 19 25 1 20 27 1 31 21 -2 22 31 1 23 25 1 28 23 -1 26 27 1 28 30 1', '31 31 C:21 10.30 -6.63 C:28 8.20 -7.84 C:30 21.98 -9.35 C:30 21.49 -11.72 C:23 15.15 -5.42 C:23 15.68 -10.17 O 12.40 -10.27 O 18.88 -4.86 O 20.81 -5.22 O 22.42 -10.68 O 13.29 -6.28 C:122 18.75 -11.15 C:129 16.93 -6.15 C:123 14.61 -8.97 C:142 19.68 -10.10 C:155 15.94 -7.14 C:145 15.94 -8.54 C:129 19.33 -8.54 C:115 10.30 -9.05 C:65 20.62 -6.61 C:41 17.37 -10.86 C:44 18.34 -9.53 O 12.40 -7.84 C:160 9.60 -7.84 C:167 11.70 -9.05 C:202 18.34 -6.15 C:143 19.33 -7.14 C:82 13.80 -7.84 C:71 21.05 -10.39 C:74 14.61 -6.71 C:41 16.93 -9.53 1 24 1 2 24 1 3 29 1 4 29 1 30 5 -1 31 6 -1 7 25 2 8 26 2 9 20 1 10 29 1 30 11 -2 12 15 2 12 21 1 13 16 2 13 26 1 14 17 2 14 28 1 15 29 1 16 30 1 17 31 1 18 22 1 18 27 2 19 24 2 19 25 1 20 27 1 31 21 -2 22 31 1 23 25 1 28 23 -1 26 27 1 28 30 1', 'C25H36O6', 432.264, 'C', 'np02_1052_1', 2037, '', '', '1', 1, NULL, NULL),
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(2378, '11a-Hydroxy-epi-betulin', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([C@H:11](O)[CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([CH2:28]O)[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@:4]5([CH3:23])[CH3:24]', '[H][C@@]45CC[C@]3(C)[C@]([H])([C@H](O)C[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(CO)CC[C@]23C)[C@@]4(C)CC[C@@H](O)[C@]5(C)C', '[H][C@@:49]45[CH2:18][CH2:35][C@:43]3([CH3:17])[C@:56]([H])([C@H:71](O)[CH2:38][C@:36]2([H])[C@@:48]1([H])[C@H:48]([C:150](=[CH2:110])[CH3:19])[CH2:29][CH2:29][C@:48]1([CH2:61]O)[CH2:34][CH2:27][C@:43]23[CH3:14])[C@@:39]4([CH3:16])[CH2:36][CH2:26][C@@H:76](O)[C@:38]5([CH3:22])[CH3:29]', '37 41 H 12.80 -12.31 H 16.57 -6.71 H 17.83 -8.07 H 14.06 -10.13 C:29 17.62 -3.20 C:30 15.79 -4.87 C:23 12.38 -13.29 C:24 10.59 -13.34 C:25 12.80 -8.48 C:27 16.57 -10.64 C:26 15.32 -8.48 O 21.52 -7.77 O 9.10 -12.10 O 12.84 -7.07 C:28 20.31 -8.46 C:2 10.30 -9.91 C:21 19.56 -5.46 C:6 14.06 -12.10 C:1 11.55 -9.19 C:22 20.14 -6.77 C:7 15.32 -11.38 C:15 17.83 -9.91 C:16 19.10 -9.19 C:12 15.32 -7.01 C:20 17.18 -4.57 C:3 10.30 -11.38 C:11 14.06 -7.75 C:19 18.13 -5.62 C:5 12.80 -11.38 C:13 16.57 -7.75 C:4 11.55 -12.10 C:18 17.83 -7.01 C:9 14.06 -9.19 C:10 12.80 -9.91 C:14 16.57 -9.19 C:8 15.32 -9.91 C:17 19.10 -7.75 29 1 -2 30 2 -1 32 3 -2 33 4 -2 5 25 2 6 25 1 31 7 -2 31 8 -1 34 9 -1 35 10 -2 36 11 -1 12 15 1 26 13 -2 27 14 -2 37 15 -1 16 19 1 16 26 1 17 20 1 17 28 1 18 21 1 18 29 1 19 34 1 20 37 1 21 36 1 22 23 1 22 35 1 23 37 1 24 27 1 24 30 1 28 25 -2 26 31 1 27 33 1 28 32 1 29 31 1 29 34 1 30 32 1 30 35 1 32 37 1 33 34 1 33 36 1 35 36 1', '37 41 H 12.80 -12.31 H 16.57 -6.71 H 17.83 -8.07 H 14.06 -10.13 C 17.62 -3.20 C 15.79 -4.87 C 12.38 -13.29 C 10.59 -13.34 C 12.80 -8.48 C 16.57 -10.64 C 15.32 -8.48 O 21.52 -7.77 O 9.10 -12.10 O 12.84 -7.07 C 20.31 -8.46 C 10.30 -9.91 C 19.56 -5.46 C 14.06 -12.10 C 11.55 -9.19 C 20.14 -6.77 C 15.32 -11.38 C 17.83 -9.91 C 19.10 -9.19 C 15.32 -7.01 C 17.18 -4.57 C 10.30 -11.38 C 14.06 -7.75 C 18.13 -5.62 C 12.80 -11.38 C 16.57 -7.75 C 11.55 -12.10 C 17.83 -7.01 C 14.06 -9.19 C 12.80 -9.91 C 16.57 -9.19 C 15.32 -9.91 C 19.10 -7.75 29 1 -2 30 2 -1 32 3 -2 33 4 -2 5 25 2 6 25 1 31 7 -2 31 8 -1 34 9 -1 35 10 -2 36 11 -1 12 15 1 26 13 -2 27 14 -2 37 15 -1 16 19 1 16 26 1 17 20 1 17 28 1 18 21 1 18 29 1 19 34 1 20 37 1 21 36 1 22 23 1 22 35 1 23 37 1 24 27 1 24 30 1 28 25 -2 26 31 1 27 33 1 28 32 1 29 31 1 29 34 1 30 32 1 30 35 1 32 37 1 33 34 1 33 36 1 35 36 1', '37 41 H 12.80 -12.31 H 16.57 -6.71 H 17.83 -8.07 H 14.06 -10.13 C:110 17.62 -3.20 C:19 15.79 -4.87 C:22 12.38 -13.29 C:29 10.59 -13.34 C:16 12.80 -8.48 C:14 16.57 -10.64 C:17 15.32 -8.48 O 21.52 -7.77 O 9.10 -12.10 O 12.84 -7.07 C:61 20.31 -8.46 C:26 10.30 -9.91 C:29 19.56 -5.46 C:18 14.06 -12.10 C:36 11.55 -9.19 C:29 20.14 -6.77 C:35 15.32 -11.38 C:27 17.83 -9.91 C:34 19.10 -9.19 C:38 15.32 -7.01 C:150 17.18 -4.57 C:76 10.30 -11.38 C:71 14.06 -7.75 C:48 18.13 -5.62 C:49 12.80 -11.38 C:36 16.57 -7.75 C:38 11.55 -12.10 C:48 17.83 -7.01 C:56 14.06 -9.19 C:39 12.80 -9.91 C:43 16.57 -9.19 C:43 15.32 -9.91 C:48 19.10 -7.75 29 1 -2 30 2 -1 32 3 -2 33 4 -2 5 25 2 6 25 1 31 7 -2 31 8 -1 34 9 -1 35 10 -2 36 11 -1 12 15 1 26 13 -2 27 14 -2 37 15 -1 16 19 1 16 26 1 17 20 1 17 28 1 18 21 1 18 29 1 19 34 1 20 37 1 21 36 1 22 23 1 22 35 1 23 37 1 24 27 1 24 30 1 28 25 -2 26 31 1 27 33 1 28 32 1 29 31 1 29 34 1 30 32 1 30 35 1 32 37 1 33 34 1 33 36 1 35 36 1', 'C30H50O3', 458.351, 'C', 'np_05_1018_1', 1673, 'Comprobar el esplazamiento de Me-23 y 24 con OH en 3 alfa', '', '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
(2379, '6b-Hydroxybetulin', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]1([H])[C@H:6](O)[CH2:7][C@@:8]2([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]5([CH2:28]O)[CH2:22][CH2:21][C@@H:19]([C:20](=[CH2:29])[CH3:30])[C@:18]45[H]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](O)[C@](C)(C)[C@]1([H])[C@H](O)C[C@@]2(C)[C@]3(C)CC[C@@]5(CO)CC[C@@H](C(=C)C)[C@]45[H]', '[H][C@:36]34[CH2:25][CH2:21][C@:51]2([H])[C@@:37]1([CH3:18])[CH2:41][CH2:28][C@H:79](O)[C@:40]([CH3:28])([CH3:17])[C@:56]1([H])[C@H:69](O)[CH2:42][C@@:40]2([CH3:17])[C@:43]3([CH3:15])[CH2:27][CH2:34][C@@:48]5([CH2:60]O)[CH2:29][CH2:30][C@@H:48]([C:150](=[CH2:110])[CH3:19])[C@:49]45[H]', '37 41 H 16.57 -6.65 H 14.06 -10.07 H 12.80 -12.25 H 17.83 -8.01 C:29 17.62 -3.14 C:30 15.79 -4.81 C:23 12.38 -13.23 C:24 10.59 -13.28 C:25 12.80 -8.42 C:27 16.57 -10.58 C:26 15.32 -8.42 O 21.53 -7.71 O 9.10 -12.04 O 14.06 -13.44 C:28 20.31 -8.40 C:2 10.30 -9.85 C:21 19.56 -5.40 C:12 15.32 -6.95 C:11 14.06 -7.69 C:1 11.55 -9.13 C:22 20.14 -6.71 C:15 17.83 -9.85 C:16 19.10 -9.13 C:7 15.32 -11.32 C:20 17.18 -4.51 C:3 10.30 -11.32 C:6 14.06 -12.04 C:19 18.13 -5.56 C:13 16.57 -7.69 C:9 14.06 -9.13 C:4 11.55 -12.04 C:5 12.80 -11.32 C:18 17.83 -6.95 C:10 12.80 -9.85 C:14 16.57 -9.13 C:8 15.32 -9.85 C:17 19.10 -7.69 29 1 -1 30 2 -2 32 3 -2 33 4 -2 5 25 2 6 25 1 31 7 -2 31 8 -1 34 9 -1 35 10 -2 36 11 -1 12 15 1 26 13 -1 27 14 -1 37 15 -1 16 20 1 16 26 1 17 21 1 17 28 1 18 19 1 18 29 1 19 30 1 20 34 1 21 37 1 22 23 1 22 35 1 23 37 1 24 27 1 24 36 1 28 25 -2 26 31 1 27 32 1 28 33 1 29 33 1 29 35 1 30 34 1 30 36 1 31 32 1 32 34 1 33 37 1 35 36 1', '37 41 H 16.57 -6.65 H 14.06 -10.07 H 12.80 -12.25 H 17.83 -8.01 C 17.62 -3.14 C 15.79 -4.81 C 12.38 -13.23 C 10.59 -13.28 C 12.80 -8.42 C 16.57 -10.58 C 15.32 -8.42 O 21.53 -7.71 O 9.10 -12.04 O 14.06 -13.44 C 20.31 -8.40 C 10.30 -9.85 C 19.56 -5.40 C 15.32 -6.95 C 14.06 -7.69 C 11.55 -9.13 C 20.14 -6.71 C 17.83 -9.85 C 19.10 -9.13 C 15.32 -11.32 C 17.18 -4.51 C 10.30 -11.32 C 14.06 -12.04 C 18.13 -5.56 C 16.57 -7.69 C 14.06 -9.13 C 11.55 -12.04 C 12.80 -11.32 C 17.83 -6.95 C 12.80 -9.85 C 16.57 -9.13 C 15.32 -9.85 C 19.10 -7.69 29 1 -1 30 2 -2 32 3 -2 33 4 -2 5 25 2 6 25 1 31 7 -2 31 8 -1 34 9 -1 35 10 -2 36 11 -1 12 15 1 26 13 -1 27 14 -1 37 15 -1 16 20 1 16 26 1 17 21 1 17 28 1 18 19 1 18 29 1 19 30 1 20 34 1 21 37 1 22 23 1 22 35 1 23 37 1 24 27 1 24 36 1 28 25 -2 26 31 1 27 32 1 28 33 1 29 33 1 29 35 1 30 34 1 30 36 1 31 32 1 32 34 1 33 37 1 35 36 1', '37 41 H 16.57 -6.65 H 14.06 -10.07 H 12.80 -12.25 H 17.83 -8.01 C:110 17.62 -3.14 C:19 15.79 -4.81 C:28 12.38 -13.23 C:17 10.59 -13.28 C:18 12.80 -8.42 C:15 16.57 -10.58 C:17 15.32 -8.42 O 21.53 -7.71 O 9.10 -12.04 O 14.06 -13.44 C:60 20.31 -8.40 C:28 10.30 -9.85 C:30 19.56 -5.40 C:25 15.32 -6.95 C:21 14.06 -7.69 C:41 11.55 -9.13 C:29 20.14 -6.71 C:27 17.83 -9.85 C:34 19.10 -9.13 C:42 15.32 -11.32 C:150 17.18 -4.51 C:79 10.30 -11.32 C:69 14.06 -12.04 C:48 18.13 -5.56 C:36 16.57 -7.69 C:51 14.06 -9.13 C:40 11.55 -12.04 C:56 12.80 -11.32 C:49 17.83 -6.95 C:37 12.80 -9.85 C:43 16.57 -9.13 C:40 15.32 -9.85 C:48 19.10 -7.69 29 1 -1 30 2 -2 32 3 -2 33 4 -2 5 25 2 6 25 1 31 7 -2 31 8 -1 34 9 -1 35 10 -2 36 11 -1 12 15 1 26 13 -1 27 14 -1 37 15 -1 16 20 1 16 26 1 17 21 1 17 28 1 18 19 1 18 29 1 19 30 1 20 34 1 21 37 1 22 23 1 22 35 1 23 37 1 24 27 1 24 36 1 28 25 -2 26 31 1 27 32 1 28 33 1 29 33 1 29 35 1 30 34 1 30 36 1 31 32 1 32 34 1 33 37 1 35 36 1', 'C30H50O3', 458.351, 'C', 'np_05_1018_2', 1673, '', '', '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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(2405, '', '', 'Steroids', 'Stigmastanes', '', '[H][C@@:14]12[CH2:15][CH2:16][C@H:17]([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24]([CH2:24001][CH3:24002])[CH:25]([CH3:27])[CH3:26])[C@@:13]1([CH3:18])[CH2:12][CH2:11][C@@:9]3([H])[C@@:8]2([H])[CH2:7][C:6](=O)[C@:5]4(O)[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(=O)[C@]4(O)C[C@@H](O)CC[C@]34C', '[H][C@@:57]12[CH2:24][CH2:28][C@H:56]([C@H:36]([CH3:19])[CH2:34][CH2:26][C@@H:46]([CH2:23][CH3:12])[CH:29]([CH3:20])[CH3:19])[C@@:43]1([CH3:12])[CH2:40][CH2:22][C@@:43]3([H])[C@@:37]2([H])[CH2:42][C:213](=O)[C@:82]4(O)[CH2:37][C@@H:66](O)[CH2:28][CH2:25][C@:44]34[CH3:17]', '35 38 H 16.20 -10.22 H 14.94 -8.60 H 13.73 -10.03 C:24002 22.19 -2.81 C:26 22.19 -7.01 C:27 23.41 -4.91 C:21 16.14 -4.91 C:18 16.14 -6.31 C:19 12.53 -8.40 O 13.73 -13.31 O 8.88 -11.88 O 12.54 -12.60 C:24001 20.98 -3.52 C:22 18.56 -4.91 C:23 19.78 -5.62 C:2 10.10 -9.82 C:16 18.56 -7.71 C:15 18.56 -9.12 C:1 11.32 -9.12 C:11 13.73 -7.71 C:12 14.94 -7.01 C:7 14.94 -11.20 C:4 11.32 -11.90 C:6 13.73 -11.90 C:25 22.19 -5.62 C:20 17.36 -5.62 C:3 10.10 -11.20 C:24 20.98 -4.91 C:17 17.36 -7.01 C:14 16.14 -9.12 C:8 14.94 -9.82 C:9 13.73 -9.12 C:13 16.14 -7.71 C:10 12.53 -9.82 C:5 12.53 -11.20 30 1 -2 31 2 -1 32 3 -2 4 13 1 5 25 1 6 25 1 26 7 -2 33 8 -1 34 9 -1 10 24 2 27 11 -1 35 12 -1 28 13 -1 14 15 1 14 26 1 15 28 1 16 19 1 16 27 1 17 18 1 17 29 1 18 30 1 19 34 1 20 21 1 20 32 1 21 33 1 22 24 1 22 31 1 23 27 1 23 35 1 24 35 1 25 28 1 29 26 -1 29 33 1 30 31 1 30 33 1 31 32 1 32 34 1 34 35 1', '35 38 H 16.20 -10.22 H 14.94 -8.60 H 13.73 -10.03 C 22.19 -2.81 C 22.19 -7.01 C 23.41 -4.91 C 16.14 -4.91 C 16.14 -6.31 C 12.53 -8.40 O 13.73 -13.31 O 8.88 -11.88 O 12.54 -12.60 C 20.98 -3.52 C 18.56 -4.91 C 19.78 -5.62 C 10.10 -9.82 C 18.56 -7.71 C 18.56 -9.12 C 11.32 -9.12 C 13.73 -7.71 C 14.94 -7.01 C 14.94 -11.20 C 11.32 -11.90 C 13.73 -11.90 C 22.19 -5.62 C 17.36 -5.62 C 10.10 -11.20 C 20.98 -4.91 C 17.36 -7.01 C 16.14 -9.12 C 14.94 -9.82 C 13.73 -9.12 C 16.14 -7.71 C 12.53 -9.82 C 12.53 -11.20 30 1 -2 31 2 -1 32 3 -2 4 13 1 5 25 1 6 25 1 26 7 -2 33 8 -1 34 9 -1 10 24 2 27 11 -1 35 12 -1 28 13 -1 14 15 1 14 26 1 15 28 1 16 19 1 16 27 1 17 18 1 17 29 1 18 30 1 19 34 1 20 21 1 20 32 1 21 33 1 22 24 1 22 31 1 23 27 1 23 35 1 24 35 1 25 28 1 29 26 -1 29 33 1 30 31 1 30 33 1 31 32 1 32 34 1 34 35 1', '35 38 H 16.20 -10.22 H 14.94 -8.60 H 13.73 -10.03 C:12 22.19 -2.81 C:19 22.19 -7.01 C:20 23.41 -4.91 C:19 16.14 -4.91 C:12 16.14 -6.31 C:17 12.53 -8.40 O 13.73 -13.31 O 8.88 -11.88 O 12.54 -12.60 C:23 20.98 -3.52 C:34 18.56 -4.91 C:26 19.78 -5.62 C:28 10.10 -9.82 C:28 18.56 -7.71 C:24 18.56 -9.12 C:25 11.32 -9.12 C:22 13.73 -7.71 C:40 14.94 -7.01 C:42 14.94 -11.20 C:37 11.32 -11.90 C:213 13.73 -11.90 C:29 22.19 -5.62 C:36 17.36 -5.62 C:66 10.10 -11.20 C:46 20.98 -4.91 C:56 17.36 -7.01 C:57 16.14 -9.12 C:37 14.94 -9.82 C:43 13.73 -9.12 C:43 16.14 -7.71 C:44 12.53 -9.82 C:82 12.53 -11.20 30 1 -2 31 2 -1 32 3 -2 4 13 1 5 25 1 6 25 1 26 7 -2 33 8 -1 34 9 -1 10 24 2 27 11 -1 35 12 -1 28 13 -1 14 15 1 14 26 1 15 28 1 16 19 1 16 27 1 17 18 1 17 29 1 18 30 1 19 34 1 20 21 1 20 32 1 21 33 1 22 24 1 22 31 1 23 27 1 23 35 1 24 35 1 25 28 1 29 26 -1 29 33 1 30 31 1 30 33 1 31 32 1 32 34 1 34 35 1', 'C29H50O3', 446.332, 'C', 'CNC01__351-5', 1192, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(2407, '', '', 'Steroids', 'Stigmastanes', '', '[H][C@@:8]23[CH2:7][C:6](=O)[C@:5]1(O)[CH2:4][C:3](=O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C@@:9]2([H])[CH2:11][CH2:12][C@:13]4([CH3:18])[C@@H:17]([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24]([CH2:24001][CH3:24002])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]34[H]', '[H][C@@]23CC(=O)[C@]1(O)CC(=O)CC[C@]1(C)[C@@]2([H])CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@]34[H]', '[H][C@@:37]23[CH2:42][C:210](=O)[C@:85]1(O)[CH2:49][C:208](=O)[CH2:37][CH2:32][C@:44]1([CH3:17])[C@@:43]2([H])[CH2:22][CH2:40][C@:43]4([CH3:12])[C@@H:56]([C@H:36]([CH3:19])[CH2:34][CH2:27][C@@H:46]([CH2:23][CH3:12])[CH:30]([CH3:19])[CH3:20])[CH2:29][CH2:24][C@@:57]34[H]', '35 38 H 14.94 -8.59 H 16.20 -10.21 H 13.73 -10.02 C:24002 22.19 -2.80 C:27 23.41 -4.90 C:26 22.19 -7.00 C:21 16.14 -4.90 C:18 16.14 -6.30 C:19 12.52 -8.39 O 8.87 -11.87 O 13.72 -13.29 O 12.53 -12.59 C:24001 20.98 -3.51 C:2 10.09 -9.81 C:22 18.56 -4.90 C:23 19.78 -5.61 C:16 18.56 -7.70 C:1 11.31 -9.11 C:15 18.56 -9.11 C:11 13.73 -7.70 C:12 14.94 -7.00 C:7 14.94 -11.19 C:4 11.31 -11.89 C:3 10.09 -11.19 C:6 13.73 -11.89 C:25 22.19 -5.61 C:20 17.36 -5.61 C:24 20.98 -4.90 C:17 17.36 -7.00 C:8 14.94 -9.81 C:14 16.14 -9.11 C:9 13.73 -9.11 C:13 16.14 -7.70 C:10 12.52 -9.81 C:5 12.52 -11.19 30 1 -1 31 2 -2 32 3 -2 4 13 1 5 26 1 6 26 1 27 7 -2 33 8 -1 34 9 -1 10 24 2 11 25 2 35 12 -1 28 13 -1 14 18 1 14 24 1 15 16 1 15 27 1 16 28 1 17 19 1 17 29 1 18 34 1 19 31 1 20 21 1 20 32 1 21 33 1 22 25 1 22 30 1 23 24 1 23 35 1 25 35 1 26 28 1 29 27 -1 29 33 1 30 31 1 30 32 1 31 33 1 32 34 1 34 35 1', '35 38 H 14.94 -8.59 H 16.20 -10.21 H 13.73 -10.02 C 22.19 -2.80 C 23.41 -4.90 C 22.19 -7.00 C 16.14 -4.90 C 16.14 -6.30 C 12.52 -8.39 O 8.87 -11.87 O 13.72 -13.29 O 12.53 -12.59 C 20.98 -3.51 C 10.09 -9.81 C 18.56 -4.90 C 19.78 -5.61 C 18.56 -7.70 C 11.31 -9.11 C 18.56 -9.11 C 13.73 -7.70 C 14.94 -7.00 C 14.94 -11.19 C 11.31 -11.89 C 10.09 -11.19 C 13.73 -11.89 C 22.19 -5.61 C 17.36 -5.61 C 20.98 -4.90 C 17.36 -7.00 C 14.94 -9.81 C 16.14 -9.11 C 13.73 -9.11 C 16.14 -7.70 C 12.52 -9.81 C 12.52 -11.19 30 1 -1 31 2 -2 32 3 -2 4 13 1 5 26 1 6 26 1 27 7 -2 33 8 -1 34 9 -1 10 24 2 11 25 2 35 12 -1 28 13 -1 14 18 1 14 24 1 15 16 1 15 27 1 16 28 1 17 19 1 17 29 1 18 34 1 19 31 1 20 21 1 20 32 1 21 33 1 22 25 1 22 30 1 23 24 1 23 35 1 25 35 1 26 28 1 29 27 -1 29 33 1 30 31 1 30 32 1 31 33 1 32 34 1 34 35 1', '35 38 H 14.94 -8.59 H 16.20 -10.21 H 13.73 -10.02 C:12 22.19 -2.80 C:20 23.41 -4.90 C:19 22.19 -7.00 C:19 16.14 -4.90 C:12 16.14 -6.30 C:17 12.52 -8.39 O 8.87 -11.87 O 13.72 -13.29 O 12.53 -12.59 C:23 20.98 -3.51 C:37 10.09 -9.81 C:34 18.56 -4.90 C:27 19.78 -5.61 C:29 18.56 -7.70 C:32 11.31 -9.11 C:24 18.56 -9.11 C:22 13.73 -7.70 C:40 14.94 -7.00 C:42 14.94 -11.19 C:49 11.31 -11.89 C:208 10.09 -11.19 C:210 13.73 -11.89 C:30 22.19 -5.61 C:36 17.36 -5.61 C:46 20.98 -4.90 C:56 17.36 -7.00 C:37 14.94 -9.81 C:57 16.14 -9.11 C:43 13.73 -9.11 C:43 16.14 -7.70 C:44 12.52 -9.81 C:85 12.52 -11.19 30 1 -1 31 2 -2 32 3 -2 4 13 1 5 26 1 6 26 1 27 7 -2 33 8 -1 34 9 -1 10 24 2 11 25 2 35 12 -1 28 13 -1 14 18 1 14 24 1 15 16 1 15 27 1 16 28 1 17 19 1 17 29 1 18 34 1 19 31 1 20 21 1 20 32 1 21 33 1 22 25 1 22 30 1 23 24 1 23 35 1 25 35 1 26 28 1 29 27 -1 29 33 1 30 31 1 30 32 1 31 33 1 32 34 1 34 35 1', 'C29H48O3', 444.332, 'P', 'CNC01__351-7', 1192, '', '', '3', 1, NULL, NULL),
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(2418, '22-Epi-maytenfolic acid', '3b,22b-dihydroxy-olean-12-en-29-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][C@@H:22](O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@](C)(C(=O)O)C[C@@H](O)[C@]1(C)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:44]12[CH2:41][C@:42]([CH3:24])([C:182](=O)O)[CH2:37][C@@H:76](O)[C@:37]1([CH3:20])[CH2:29][CH2:26][C@:42]5([CH3:25])[C:143]2=[CH:123][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:27][C@H:79](O)[C@:39]([CH3:28])([CH3:16])[C@:55]3([H])[CH2:18][CH2:33][C@:40]45[CH3:17]', '37 41 H 12.35 -12.57 H 17.33 -8.51 H 13.66 -10.35 C:24 10.36 -13.40 C:23 11.84 -13.45 C:30 17.76 -3.91 C:28 18.55 -6.49 C:25 12.35 -8.64 C:27 16.12 -10.79 C:26 14.87 -8.64 O 18.82 -2.64 O 20.77 -4.06 O 8.75 -12.26 O 20.98 -7.97 C:2 9.93 -10.06 C:1 11.12 -9.33 C:12 14.86 -7.24 C:11 13.63 -7.93 C:6 13.63 -12.21 C:16 18.55 -9.33 C:7 14.86 -11.51 C:15 17.33 -10.06 C:21 19.79 -5.80 C:19 17.33 -5.80 C:29 19.38 -3.92 C:3 9.93 -11.51 C:22 19.79 -7.24 C:4 11.12 -12.21 C:20 18.55 -5.08 C:5 12.35 -11.51 C:13 16.10 -7.93 C:18 17.33 -7.24 C:9 13.63 -9.33 C:17 18.55 -7.93 C:10 12.35 -10.06 C:14 16.10 -9.33 C:8 14.86 -10.06 30 1 -2 32 2 -1 33 3 -2 28 4 -1 28 5 -2 29 6 -1 34 7 -1 35 8 -1 36 9 -2 37 10 -1 11 25 2 12 25 1 26 13 -1 27 14 -1 15 16 1 15 26 1 16 35 1 17 18 1 17 31 2 18 33 1 19 21 1 19 30 1 20 22 1 20 34 1 21 37 1 22 36 1 23 27 1 23 29 1 24 29 1 24 32 1 29 25 -2 26 28 1 27 34 1 28 30 1 30 35 1 31 32 1 31 36 1 32 34 1 33 35 1 33 37 1 36 37 1', '37 41 H 12.35 -12.57 H 17.33 -8.51 H 13.66 -10.35 C 10.36 -13.40 C 11.84 -13.45 C 17.76 -3.91 C 18.55 -6.49 C 12.35 -8.64 C 16.12 -10.79 C 14.87 -8.64 O 18.82 -2.64 O 20.77 -4.06 O 8.75 -12.26 O 20.98 -7.97 C 9.93 -10.06 C 11.12 -9.33 C 14.86 -7.24 C 13.63 -7.93 C 13.63 -12.21 C 18.55 -9.33 C 14.86 -11.51 C 17.33 -10.06 C 19.79 -5.80 C 17.33 -5.80 C 19.38 -3.92 C 9.93 -11.51 C 19.79 -7.24 C 11.12 -12.21 C 18.55 -5.08 C 12.35 -11.51 C 16.10 -7.93 C 17.33 -7.24 C 13.63 -9.33 C 18.55 -7.93 C 12.35 -10.06 C 16.10 -9.33 C 14.86 -10.06 30 1 -2 32 2 -1 33 3 -2 28 4 -1 28 5 -2 29 6 -1 34 7 -1 35 8 -1 36 9 -2 37 10 -1 11 25 2 12 25 1 26 13 -1 27 14 -1 15 16 1 15 26 1 16 35 1 17 18 1 17 31 2 18 33 1 19 21 1 19 30 1 20 22 1 20 34 1 21 37 1 22 36 1 23 27 1 23 29 1 24 29 1 24 32 1 29 25 -2 26 28 1 27 34 1 28 30 1 30 35 1 31 32 1 31 36 1 32 34 1 33 35 1 33 37 1 36 37 1', '37 41 H 12.35 -12.57 H 17.33 -8.51 H 13.66 -10.35 C:16 10.36 -13.40 C:28 11.84 -13.45 C:24 17.76 -3.91 C:20 18.55 -6.49 C:16 12.35 -8.64 C:25 16.12 -10.79 C:17 14.87 -8.64 O 18.82 -2.64 O 20.77 -4.06 O 8.75 -12.26 O 20.98 -7.97 C:27 9.93 -10.06 C:39 11.12 -9.33 C:123 14.86 -7.24 C:24 13.63 -7.93 C:18 13.63 -12.21 C:29 18.55 -9.33 C:33 14.86 -11.51 C:26 17.33 -10.06 C:37 19.79 -5.80 C:41 17.33 -5.80 C:182 19.38 -3.92 C:79 9.93 -11.51 C:76 19.79 -7.24 C:39 11.12 -12.21 C:42 18.55 -5.08 C:55 12.35 -11.51 C:143 16.10 -7.93 C:44 17.33 -7.24 C:48 13.63 -9.33 C:37 18.55 -7.93 C:37 12.35 -10.06 C:42 16.10 -9.33 C:40 14.86 -10.06 30 1 -2 32 2 -1 33 3 -2 28 4 -1 28 5 -2 29 6 -1 34 7 -1 35 8 -1 36 9 -2 37 10 -1 11 25 2 12 25 1 26 13 -1 27 14 -1 15 16 1 15 26 1 16 35 1 17 18 1 17 31 2 18 33 1 19 21 1 19 30 1 20 22 1 20 34 1 21 37 1 22 36 1 23 27 1 23 29 1 24 29 1 24 32 1 29 25 -2 26 28 1 27 34 1 28 30 1 30 35 1 31 32 1 31 36 1 32 34 1 33 35 1 33 37 1 36 37 1', 'C30H48O4', 472.342, 'C+P', 'mrc02_366_6', 2085, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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
(2432, '', '7-deacetylazadirone11,12', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:5]45[CH2:6][C@@H:7](O)[C@@:8]3([CH3:30])[C:14]2=[CH:15][CH2:16][C@@H:17]([c:20]1[cH:22][cH:23]o[cH:21]1)[C@:13]2([CH3:18])[CH2:12][CH2:11][C@:9]3([H])[C@@:10]4([CH3:19])[CH:1]=[CH:2][C:3](=O)[C@@:4]5([CH3:29])[CH3:28]', '[H][C@@]45C[C@@H](O)[C@@]3(C)C2=CC[C@@H](c1ccoc1)[C@]2(C)CC[C@]3([H])[C@@]4(C)C=CC(=O)[C@@]5(C)C', '[H][C@@:44]45[CH2:24][C@@H:72](O)[C@@:45]3([CH3:28])[C:161]2=[CH:120][CH2:34][C@@H:51]([c:124]1[cH:111][cH:143]o[cH:140]1)[C@:47]2([CH3:20])[CH2:32][CH2:16][C@:37]3([H])[C@@:40]4([CH3:19])[CH:158]=[CH:125][C:205](=O)[C@@:44]5([CH3:21])[CH3:27]', '31 35 H 14.50 -11.99 H 15.82 -9.75 C:28 14.00 -12.87 C:29 12.49 -12.82 C:18 18.28 -5.93 C:19 14.50 -8.03 C:30 17.04 -8.03 O 10.86 -11.67 O 18.22 -11.66 C:2 12.04 -9.46 C:15 19.61 -9.16 C:1 13.28 -8.73 C:23 20.06 -3.28 C:22 19.24 -4.43 C:21 21.38 -5.13 C:16 20.43 -8.03 C:12 17.03 -6.63 C:11 15.79 -7.33 C:6 15.79 -11.61 O 21.38 -3.73 C:3 12.04 -10.92 C:14 18.27 -8.73 C:20 20.05 -5.55 C:7 17.03 -10.92 C:17 19.61 -6.91 C:4 13.28 -11.61 C:13 18.27 -7.33 C:10 14.50 -9.46 C:5 14.50 -10.92 C:9 15.79 -8.73 C:8 17.03 -9.46 29 1 -2 30 2 -2 26 3 -2 26 4 -1 27 5 -2 28 6 -1 31 7 -1 8 21 2 24 9 -2 10 12 2 10 21 1 11 16 1 11 22 2 12 28 1 13 14 2 13 20 1 14 23 1 15 20 1 15 23 2 16 25 1 17 18 1 17 27 1 18 30 1 19 24 1 19 29 1 21 26 1 22 27 1 22 31 1 25 23 -2 24 31 1 25 27 1 26 29 1 28 29 1 28 30 1 30 31 1', '31 35 H 14.50 -11.99 H 15.82 -9.75 C 14.00 -12.87 C 12.49 -12.82 C 18.28 -5.93 C 14.50 -8.03 C 17.04 -8.03 O 10.86 -11.67 O 18.22 -11.66 C 12.04 -9.46 C 19.61 -9.16 C 13.28 -8.73 C 20.06 -3.28 C 19.24 -4.43 C 21.38 -5.13 C 20.43 -8.03 C 17.03 -6.63 C 15.79 -7.33 C 15.79 -11.61 O 21.38 -3.73 C 12.04 -10.92 C 18.27 -8.73 C 20.05 -5.55 C 17.03 -10.92 C 19.61 -6.91 C 13.28 -11.61 C 18.27 -7.33 C 14.50 -9.46 C 14.50 -10.92 C 15.79 -8.73 C 17.03 -9.46 29 1 -2 30 2 -2 26 3 -2 26 4 -1 27 5 -2 28 6 -1 31 7 -1 8 21 2 24 9 -2 10 12 2 10 21 1 11 16 1 11 22 2 12 28 1 13 14 2 13 20 1 14 23 1 15 20 1 15 23 2 16 25 1 17 18 1 17 27 1 18 30 1 19 24 1 19 29 1 21 26 1 22 27 1 22 31 1 25 23 -2 24 31 1 25 27 1 26 29 1 28 29 1 28 30 1 30 31 1', '31 35 H 14.50 -11.99 H 15.82 -9.75 C:27 14.00 -12.87 C:21 12.49 -12.82 C:20 18.28 -5.93 C:19 14.50 -8.03 C:28 17.04 -8.03 O 10.86 -11.67 O 18.22 -11.66 C:125 12.04 -9.46 C:120 19.61 -9.16 C:158 13.28 -8.73 C:143 20.06 -3.28 C:111 19.24 -4.43 C:140 21.38 -5.13 C:34 20.43 -8.03 C:32 17.03 -6.63 C:16 15.79 -7.33 C:24 15.79 -11.61 O 21.38 -3.73 C:205 12.04 -10.92 C:161 18.27 -8.73 C:124 20.05 -5.55 C:72 17.03 -10.92 C:51 19.61 -6.91 C:44 13.28 -11.61 C:47 18.27 -7.33 C:40 14.50 -9.46 C:44 14.50 -10.92 C:37 15.79 -8.73 C:45 17.03 -9.46 29 1 -2 30 2 -2 26 3 -2 26 4 -1 27 5 -2 28 6 -1 31 7 -1 8 21 2 24 9 -2 10 12 2 10 21 1 11 16 1 11 22 2 12 28 1 13 14 2 13 20 1 14 23 1 15 20 1 15 23 2 16 25 1 17 18 1 17 27 1 18 30 1 19 24 1 19 29 1 21 26 1 22 27 1 22 31 1 25 23 -2 24 31 1 25 27 1 26 29 1 28 29 1 28 30 1 30 31 1', 'C26H34O3', 394.292, 'C', 'mrc03_206_9', 1905, '', '', '1', 1, NULL, NULL),
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(2444, '', '21-hydroxylanosta-7,9(11),24-trien-3-one', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][CH:7]=[C:8]1[C:9](=[CH:11][CH2:12][C@:13]2([CH3:18])[C@@H:17]([C@H:20]([CH2:21]O)[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])[CH2:16][CH2:15][C@@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CC=C1C(=CC[C@]2(C)[C@@H]([C@H](CO)CCC=C(C)C)CC[C@@]12C)[C@@]3(C)CCC(=O)[C@]4(C)C', '[H][C@@:51]34[CH2:24][CH:120]=[C:143]1[C:145](=[CH:117][CH2:37][C@:43]2([CH3:16])[C@@H:45]([C@H:43]([CH2:62]O)[CH2:30][CH2:25][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:27][CH2:31][C@@:50]12[CH3:25])[C@@:37]3([CH3:22])[CH2:37][CH2:35][C:217](=O)[C@:47]4([CH3:22])[CH3:25]', '33 36 H 12.20 -12.17 C:26 23.67 -6.90 C:27 21.86 -8.53 C:29 10.26 -12.86 C:28 11.79 -12.82 C:19 12.20 -8.16 C:30 15.90 -10.23 C:18 15.90 -6.05 O 8.57 -11.70 O 16.74 -3.23 C:24 21.34 -6.15 C:7 14.63 -10.97 C:11 13.41 -7.44 C:21 16.72 -4.63 C:23 19.97 -6.44 C:2 9.77 -9.53 C:22 19.03 -5.39 C:16 18.06 -8.16 C:6 13.41 -11.68 C:12 14.63 -6.75 C:1 10.97 -8.85 C:15 17.21 -9.28 C:25 22.29 -7.18 C:3 9.77 -10.97 C:9 13.41 -8.85 C:8 14.63 -9.53 C:20 17.66 -5.69 C:17 17.21 -7.01 C:4 10.97 -11.68 C:5 12.20 -10.97 C:10 12.20 -9.53 C:14 15.87 -8.85 C:13 15.87 -7.44 30 1 -2 2 23 1 3 23 1 29 4 -1 29 5 -2 31 6 -1 32 7 -2 33 8 -1 9 24 2 10 14 1 11 15 1 11 23 2 12 19 1 12 26 2 13 20 1 13 25 2 27 14 -2 15 17 1 16 21 1 16 24 1 17 27 1 18 22 1 18 28 1 19 30 1 20 33 1 21 31 1 22 32 1 24 29 1 25 26 1 25 31 1 26 32 1 28 27 -1 28 33 1 29 30 1 30 31 1 32 33 1', '33 36 H 12.20 -12.17 C 23.67 -6.90 C 21.86 -8.53 C 10.26 -12.86 C 11.79 -12.82 C 12.20 -8.16 C 15.90 -10.23 C 15.90 -6.05 O 8.57 -11.70 O 16.74 -3.23 C 21.34 -6.15 C 14.63 -10.97 C 13.41 -7.44 C 16.72 -4.63 C 19.97 -6.44 C 9.77 -9.53 C 19.03 -5.39 C 18.06 -8.16 C 13.41 -11.68 C 14.63 -6.75 C 10.97 -8.85 C 17.21 -9.28 C 22.29 -7.18 C 9.77 -10.97 C 13.41 -8.85 C 14.63 -9.53 C 17.66 -5.69 C 17.21 -7.01 C 10.97 -11.68 C 12.20 -10.97 C 12.20 -9.53 C 15.87 -8.85 C 15.87 -7.44 30 1 -2 2 23 1 3 23 1 29 4 -1 29 5 -2 31 6 -1 32 7 -2 33 8 -1 9 24 2 10 14 1 11 15 1 11 23 2 12 19 1 12 26 2 13 20 1 13 25 2 27 14 -2 15 17 1 16 21 1 16 24 1 17 27 1 18 22 1 18 28 1 19 30 1 20 33 1 21 31 1 22 32 1 24 29 1 25 26 1 25 31 1 26 32 1 28 27 -1 28 33 1 29 30 1 30 31 1 32 33 1', '33 36 H 12.20 -12.17 C:18 23.67 -6.90 C:26 21.86 -8.53 C:25 10.26 -12.86 C:22 11.79 -12.82 C:22 12.20 -8.16 C:25 15.90 -10.23 C:16 15.90 -6.05 O 8.57 -11.70 O 16.74 -3.23 C:125 21.34 -6.15 C:120 14.63 -10.97 C:117 13.41 -7.44 C:62 16.72 -4.63 C:25 19.97 -6.44 C:35 9.77 -9.53 C:30 19.03 -5.39 C:27 18.06 -8.16 C:24 13.41 -11.68 C:37 14.63 -6.75 C:37 10.97 -8.85 C:31 17.21 -9.28 C:131 22.29 -7.18 C:217 9.77 -10.97 C:145 13.41 -8.85 C:143 14.63 -9.53 C:43 17.66 -5.69 C:45 17.21 -7.01 C:47 10.97 -11.68 C:51 12.20 -10.97 C:37 12.20 -9.53 C:50 15.87 -8.85 C:43 15.87 -7.44 30 1 -2 2 23 1 3 23 1 29 4 -1 29 5 -2 31 6 -1 32 7 -2 33 8 -1 9 24 2 10 14 1 11 15 1 11 23 2 12 19 1 12 26 2 13 20 1 13 25 2 27 14 -2 15 17 1 16 21 1 16 24 1 17 27 1 18 22 1 18 28 1 19 30 1 20 33 1 21 31 1 22 32 1 24 29 1 25 26 1 25 31 1 26 32 1 28 27 -1 28 33 1 29 30 1 30 31 1 32 33 1', 'C30H46O2', 438.328, 'C', 'ph52_1621_4', 1858, '', '', '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
(2445, '', '(+)-lanosta-7,9(11),24-trien-3b,21-diol', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][CH:7]=[C:8]1[C:9](=[CH:11][CH2:12][C@:13]2([CH3:18])[C@@H:17]([C@H:20]([CH2:21]O)[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@@:4]4([CH3:29])[CH3:28]', '[H][C@@]34CC=C1C(=CC[C@]2(C)[C@@H]([C@H](CO)CCC=C(C)C)CC[C@@]12C)[C@@]3(C)CC[C@H](O)[C@@]4(C)C', '[H][C@@:49]34[CH2:23][CH:121]=[C:143]1[C:146](=[CH:116][CH2:37][C@:44]2([CH3:16])[C@@H:45]([C@H:43]([CH2:63]O)[CH2:30][CH2:25][CH:125]=[C:132]([CH3:18])[CH3:26])[CH2:28][CH2:31][C@@:50]12[CH3:26])[C@@:37]3([CH3:23])[CH2:36][CH2:28][C@H:79](O)[C@@:39]4([CH3:16])[CH3:28]', '33 36 H 12.20 -12.17 C:27 21.86 -8.53 C:26 23.67 -6.90 C:28 11.79 -12.82 C:29 10.26 -12.86 C:19 12.20 -8.16 C:30 15.90 -10.23 C:18 15.90 -6.05 O 16.72 -3.23 O 8.57 -11.70 C:24 21.34 -6.15 C:7 14.63 -10.97 C:11 13.41 -7.44 C:23 19.97 -6.44 C:21 16.72 -4.63 C:6 13.41 -11.68 C:12 14.63 -6.75 C:22 19.03 -5.39 C:2 9.77 -9.53 C:16 18.06 -8.16 C:1 10.97 -8.85 C:15 17.21 -9.28 C:25 22.29 -7.18 C:9 13.41 -8.85 C:8 14.63 -9.53 C:3 9.77 -10.97 C:20 17.66 -5.69 C:17 17.21 -7.01 C:4 10.97 -11.68 C:5 12.20 -10.97 C:10 12.20 -9.53 C:14 15.87 -8.85 C:13 15.87 -7.44 30 1 -2 2 23 1 3 23 1 29 4 -2 29 5 -1 31 6 -1 32 7 -2 33 8 -1 9 15 1 26 10 -1 11 14 1 11 23 2 12 16 1 12 25 2 13 17 1 13 24 2 14 18 1 27 15 -2 16 30 1 17 33 1 18 27 1 19 21 1 19 26 1 20 22 1 20 28 1 21 31 1 22 32 1 24 25 1 24 31 1 25 32 1 26 29 1 28 27 -1 28 33 1 29 30 1 30 31 1 32 33 1', '33 36 H 12.20 -12.17 C 21.86 -8.53 C 23.67 -6.90 C 11.79 -12.82 C 10.26 -12.86 C 12.20 -8.16 C 15.90 -10.23 C 15.90 -6.05 O 16.72 -3.23 O 8.57 -11.70 C 21.34 -6.15 C 14.63 -10.97 C 13.41 -7.44 C 19.97 -6.44 C 16.72 -4.63 C 13.41 -11.68 C 14.63 -6.75 C 19.03 -5.39 C 9.77 -9.53 C 18.06 -8.16 C 10.97 -8.85 C 17.21 -9.28 C 22.29 -7.18 C 13.41 -8.85 C 14.63 -9.53 C 9.77 -10.97 C 17.66 -5.69 C 17.21 -7.01 C 10.97 -11.68 C 12.20 -10.97 C 12.20 -9.53 C 15.87 -8.85 C 15.87 -7.44 30 1 -2 2 23 1 3 23 1 29 4 -2 29 5 -1 31 6 -1 32 7 -2 33 8 -1 9 15 1 26 10 -1 11 14 1 11 23 2 12 16 1 12 25 2 13 17 1 13 24 2 14 18 1 27 15 -2 16 30 1 17 33 1 18 27 1 19 21 1 19 26 1 20 22 1 20 28 1 21 31 1 22 32 1 24 25 1 24 31 1 25 32 1 26 29 1 28 27 -1 28 33 1 29 30 1 30 31 1 32 33 1', '33 36 H 12.20 -12.17 C:26 21.86 -8.53 C:18 23.67 -6.90 C:28 11.79 -12.82 C:16 10.26 -12.86 C:23 12.20 -8.16 C:26 15.90 -10.23 C:16 15.90 -6.05 O 16.72 -3.23 O 8.57 -11.70 C:125 21.34 -6.15 C:121 14.63 -10.97 C:116 13.41 -7.44 C:25 19.97 -6.44 C:63 16.72 -4.63 C:23 13.41 -11.68 C:37 14.63 -6.75 C:30 19.03 -5.39 C:28 9.77 -9.53 C:28 18.06 -8.16 C:36 10.97 -8.85 C:31 17.21 -9.28 C:132 22.29 -7.18 C:146 13.41 -8.85 C:143 14.63 -9.53 C:79 9.77 -10.97 C:43 17.66 -5.69 C:45 17.21 -7.01 C:39 10.97 -11.68 C:49 12.20 -10.97 C:37 12.20 -9.53 C:50 15.87 -8.85 C:44 15.87 -7.44 30 1 -2 2 23 1 3 23 1 29 4 -2 29 5 -1 31 6 -1 32 7 -2 33 8 -1 9 15 1 26 10 -1 11 14 1 11 23 2 12 16 1 12 25 2 13 17 1 13 24 2 14 18 1 27 15 -2 16 30 1 17 33 1 18 27 1 19 21 1 19 26 1 20 22 1 20 28 1 21 31 1 22 32 1 24 25 1 24 31 1 25 32 1 26 29 1 28 27 -1 28 33 1 29 30 1 30 31 1 32 33 1', 'C30H48O2', 440.328, 'C', 'ph52_1621_5', 1858, '', '', '1', 1, NULL, NULL),
(2446, '', '(+)-3a-acetoxylanosta-8,24-dien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:18])[C@@H:17]([C@@H:20]([CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])[C:21](=O)O)[CH2:16][CH2:15][C@@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CCC1=C(CC[C@]2(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]12C)[C@@]3(C)CC[C@@H](OC(C)=O)[C@]4(C)C', '[H][C@@:45]34[CH2:18][CH2:26][C:135]1=[C:134]([CH2:21][CH2:29][C@:44]2([CH3:16])[C@@H:47]([C@@H:48]([CH2:33][CH2:26][CH:124]=[C:132]([CH3:26])[CH3:18])[C:183](=O)O)[CH2:27][CH2:31][C@@:50]12[CH3:25])[C@@:37]3([CH3:19])[CH2:30][CH2:23][C@@H:78](O[C:171]([CH3:21])=O)[C@:37]4([CH3:22])[CH3:28]', '37 40 H 13.44 -12.18 C:26 24.89 -6.90 C:27 23.08 -8.54 C:3002 7.38 -11.75 C:29 11.49 -12.87 C:28 13.03 -12.83 C:19 13.44 -8.16 C:30 17.13 -10.24 C:18 17.13 -6.05 O 8.55 -9.62 O 17.95 -3.25 O 16.65 -5.11 C:24 22.56 -6.15 C:23 21.19 -6.44 C:7 15.87 -10.98 C:11 14.65 -7.44 C:22 20.25 -5.39 C:2 11.00 -9.54 C:16 19.28 -8.16 C:6 14.65 -11.69 C:12 15.87 -6.75 C:1 12.21 -8.86 C:15 18.43 -9.29 O 9.81 -11.70 C:25 23.51 -7.18 C:3001 8.58 -11.02 C:21 17.95 -4.63 C:9 14.65 -8.86 C:8 15.87 -9.54 C:20 18.88 -5.69 C:3 11.00 -10.98 C:17 18.43 -7.01 C:4 12.21 -11.69 C:10 13.44 -9.54 C:14 17.10 -8.86 C:5 13.44 -10.98 C:13 17.10 -7.44 36 1 -2 2 25 1 3 25 1 4 26 1 33 5 -1 33 6 -2 34 7 -1 35 8 -2 37 9 -1 10 26 2 11 27 2 12 27 1 13 14 1 13 25 2 14 17 1 15 20 1 15 29 1 16 21 1 16 28 1 17 30 1 18 22 1 18 31 1 19 23 1 19 32 1 20 36 1 21 37 1 22 34 1 23 35 1 24 26 1 31 24 -2 30 27 -2 28 29 2 28 34 1 29 35 1 32 30 -1 31 33 1 32 37 1 33 36 1 34 36 1 35 37 1', '37 40 H 13.44 -12.18 C 24.89 -6.90 C 23.08 -8.54 C 7.38 -11.75 C 11.49 -12.87 C 13.03 -12.83 C 13.44 -8.16 C 17.13 -10.24 C 17.13 -6.05 O 8.55 -9.62 O 17.95 -3.25 O 16.65 -5.11 C 22.56 -6.15 C 21.19 -6.44 C 15.87 -10.98 C 14.65 -7.44 C 20.25 -5.39 C 11.00 -9.54 C 19.28 -8.16 C 14.65 -11.69 C 15.87 -6.75 C 12.21 -8.86 C 18.43 -9.29 O 9.81 -11.70 C 23.51 -7.18 C 8.58 -11.02 C 17.95 -4.63 C 14.65 -8.86 C 15.87 -9.54 C 18.88 -5.69 C 11.00 -10.98 C 18.43 -7.01 C 12.21 -11.69 C 13.44 -9.54 C 17.10 -8.86 C 13.44 -10.98 C 17.10 -7.44 36 1 -2 2 25 1 3 25 1 4 26 1 33 5 -1 33 6 -2 34 7 -1 35 8 -2 37 9 -1 10 26 2 11 27 2 12 27 1 13 14 1 13 25 2 14 17 1 15 20 1 15 29 1 16 21 1 16 28 1 17 30 1 18 22 1 18 31 1 19 23 1 19 32 1 20 36 1 21 37 1 22 34 1 23 35 1 24 26 1 31 24 -2 30 27 -2 28 29 2 28 34 1 29 35 1 32 30 -1 31 33 1 32 37 1 33 36 1 34 36 1 35 37 1', '37 40 H 13.44 -12.18 C:18 24.89 -6.90 C:26 23.08 -8.54 C:21 7.38 -11.75 C:28 11.49 -12.87 C:22 13.03 -12.83 C:19 13.44 -8.16 C:25 17.13 -10.24 C:16 17.13 -6.05 O 8.55 -9.62 O 17.95 -3.25 O 16.65 -5.11 C:124 22.56 -6.15 C:26 21.19 -6.44 C:26 15.87 -10.98 C:21 14.65 -7.44 C:33 20.25 -5.39 C:23 11.00 -9.54 C:27 19.28 -8.16 C:18 14.65 -11.69 C:29 15.87 -6.75 C:30 12.21 -8.86 C:31 18.43 -9.29 O 9.81 -11.70 C:132 23.51 -7.18 C:171 8.58 -11.02 C:183 17.95 -4.63 C:134 14.65 -8.86 C:135 15.87 -9.54 C:48 18.88 -5.69 C:78 11.00 -10.98 C:47 18.43 -7.01 C:37 12.21 -11.69 C:37 13.44 -9.54 C:50 17.10 -8.86 C:45 13.44 -10.98 C:44 17.10 -7.44 36 1 -2 2 25 1 3 25 1 4 26 1 33 5 -1 33 6 -2 34 7 -1 35 8 -2 37 9 -1 10 26 2 11 27 2 12 27 1 13 14 1 13 25 2 14 17 1 15 20 1 15 29 1 16 21 1 16 28 1 17 30 1 18 22 1 18 31 1 19 23 1 19 32 1 20 36 1 21 37 1 22 34 1 23 35 1 24 26 1 31 24 -2 30 27 -2 28 29 2 28 34 1 29 35 1 32 30 -1 31 33 1 32 37 1 33 36 1 34 36 1 35 37 1', 'C32H50O4', 498.348, 'C', 'ph52_1621_6', 1858, '', '', '1', 1, NULL, NULL),
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(2457, '3a-carboxyacetoxyquercinic acid', '3a-carboxyacetoxy-24-methyl-23-oxolanost-8-en-26-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:18])[C@@H:17]([C@H:20]([CH3:21])[CH2:22][C:23](=O)[C@H:24]([CH3:24001])[CH:25]([CH3:27])[C:26](=O)O)[CH2:16][CH2:15][C@@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@@H:3](O[C:3001](=O)[CH2:3002][C:3003](=O)O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CCC1=C(CC[C@]2(C)[C@@H]([C@H](C)CC(=O)[C@H](C)C(C)C(=O)O)CC[C@@]12C)[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)[C@]4(C)C', '[H][C@@:45]34[CH2:18][CH2:26][C:134]1=[C:134]([CH2:21][CH2:31][C@:45]2([CH3:16])[C@@H:50]([C@H:33]([CH3:13])[CH2:49][C:214](=O)[C@H:48]([CH3:20])[CH:41]([CH3:14])[C:181](=O)O)[CH2:28][CH2:31][C@@:50]12[CH3:24])[C@@:37]3([CH3:19])[CH2:31][CH2:23][C@@H:81](O[C:167](=O)[CH2:41][C:171](=O)O)[C@:37]4([CH3:22])[CH3:28]', '42 45 H 13.54 -10.99 C:21 18.04 -3.45 C:27 23.20 -7.35 C:24001 23.12 -3.65 C:29 11.59 -11.68 C:28 13.13 -11.64 C:19 13.54 -6.97 C:30 17.22 -9.05 C:18 17.22 -4.87 O 6.32 -12.68 O 25.47 -4.39 O 8.67 -8.43 O 20.85 -6.58 O 8.73 -12.63 O 25.95 -6.76 C:7 15.97 -9.79 C:11 14.75 -6.25 C:2 11.10 -8.35 C:16 19.39 -6.97 C:6 14.75 -10.50 C:12 15.97 -5.56 C:1 12.31 -7.67 C:15 18.53 -8.10 C:3002 7.49 -10.56 C:22 20.36 -4.21 O 9.90 -10.51 C:3003 7.51 -11.96 C:26 25.01 -5.71 C:3001 8.68 -9.83 C:23 21.30 -5.25 C:9 14.75 -7.67 C:8 15.97 -8.35 C:20 18.99 -4.51 C:25 23.62 -5.99 C:24 22.68 -4.97 C:3 11.10 -9.79 C:17 18.53 -5.82 C:4 12.31 -10.50 C:5 13.54 -9.79 C:10 13.54 -8.35 C:14 17.19 -7.67 C:13 17.19 -6.25 39 1 -2 33 2 -2 3 34 1 35 4 -2 38 5 -1 38 6 -2 40 7 -1 41 8 -2 42 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 27 1 15 28 1 16 20 1 16 32 1 17 21 1 17 31 1 18 22 1 18 36 1 19 23 1 19 37 1 20 39 1 21 42 1 22 40 1 23 41 1 24 27 1 24 29 1 25 30 1 25 33 1 26 29 1 36 26 -2 28 34 1 30 35 1 31 32 2 31 40 1 32 41 1 37 33 -1 34 35 1 36 38 1 37 42 1 38 39 1 39 40 1 41 42 1', '42 45 H 13.54 -10.99 C 18.04 -3.45 C 23.20 -7.35 C 23.12 -3.65 C 11.59 -11.68 C 13.13 -11.64 C 13.54 -6.97 C 17.22 -9.05 C 17.22 -4.87 O 6.32 -12.68 O 25.47 -4.39 O 8.67 -8.43 O 20.85 -6.58 O 8.73 -12.63 O 25.95 -6.76 C 15.97 -9.79 C 14.75 -6.25 C 11.10 -8.35 C 19.39 -6.97 C 14.75 -10.50 C 15.97 -5.56 C 12.31 -7.67 C 18.53 -8.10 C 7.49 -10.56 C 20.36 -4.21 O 9.90 -10.51 C 7.51 -11.96 C 25.01 -5.71 C 8.68 -9.83 C 21.30 -5.25 C 14.75 -7.67 C 15.97 -8.35 C 18.99 -4.51 C 23.62 -5.99 C 22.68 -4.97 C 11.10 -9.79 C 18.53 -5.82 C 12.31 -10.50 C 13.54 -9.79 C 13.54 -8.35 C 17.19 -7.67 C 17.19 -6.25 39 1 -2 33 2 -2 3 34 1 35 4 -2 38 5 -1 38 6 -2 40 7 -1 41 8 -2 42 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 27 1 15 28 1 16 20 1 16 32 1 17 21 1 17 31 1 18 22 1 18 36 1 19 23 1 19 37 1 20 39 1 21 42 1 22 40 1 23 41 1 24 27 1 24 29 1 25 30 1 25 33 1 26 29 1 36 26 -2 28 34 1 30 35 1 31 32 2 31 40 1 32 41 1 37 33 -1 34 35 1 36 38 1 37 42 1 38 39 1 39 40 1 41 42 1', '42 45 H 13.54 -10.99 C:13 18.04 -3.45 C:14 23.20 -7.35 C:20 23.12 -3.65 C:28 11.59 -11.68 C:22 13.13 -11.64 C:19 13.54 -6.97 C:24 17.22 -9.05 C:16 17.22 -4.87 O 6.32 -12.68 O 25.47 -4.39 O 8.67 -8.43 O 20.85 -6.58 O 8.73 -12.63 O 25.95 -6.76 C:26 15.97 -9.79 C:21 14.75 -6.25 C:23 11.10 -8.35 C:28 19.39 -6.97 C:18 14.75 -10.50 C:31 15.97 -5.56 C:31 12.31 -7.67 C:31 18.53 -8.10 C:41 7.49 -10.56 C:49 20.36 -4.21 O 9.90 -10.51 C:171 7.51 -11.96 C:181 25.01 -5.71 C:167 8.68 -9.83 C:214 21.30 -5.25 C:134 14.75 -7.67 C:134 15.97 -8.35 C:33 18.99 -4.51 C:41 23.62 -5.99 C:48 22.68 -4.97 C:81 11.10 -9.79 C:50 18.53 -5.82 C:37 12.31 -10.50 C:45 13.54 -9.79 C:37 13.54 -8.35 C:50 17.19 -7.67 C:45 17.19 -6.25 39 1 -2 33 2 -2 3 34 1 35 4 -2 38 5 -1 38 6 -2 40 7 -1 41 8 -2 42 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 27 1 15 28 1 16 20 1 16 32 1 17 21 1 17 31 1 18 22 1 18 36 1 19 23 1 19 37 1 20 39 1 21 42 1 22 40 1 23 41 1 24 27 1 24 29 1 25 30 1 25 33 1 26 29 1 36 26 -2 28 34 1 30 35 1 31 32 2 31 40 1 32 41 1 37 33 -1 34 35 1 36 38 1 37 42 1 38 39 1 39 40 1 41 42 1', 'C34H52O7', 572.368, 'C', 'ph54_757_5', 1928, '', '', '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
(2458, 'ergosterol peroxide', '5a,8a-epidioxyergosta-6,22-dien-3b-ol', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:14]13[CH2:15][CH2:16][C@H:17]([C@H:20]([CH3:21])[CH:22]=[CH:23][C@H:24]([CH3:28])[CH:25]([CH3:26])[CH3:27])[C@@:13]1([CH3:18])[CH2:12][CH2:11][C@:9]4([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O)[CH2:4][C@:5]25[CH:6]=[CH:7][C@:8]34OO5', '[H][C@@]13CC[C@H]([C@H](C)C=C[C@H](C)C(C)C)[C@@]1(C)CC[C@]4([H])[C@@]2(C)CC[C@H](O)C[C@]25C=C[C@]34OO5', '[H][C@@:52]13[CH2:21][CH2:29][C@H:56]([C@H:40]([CH3:21])[CH:135]=[CH:132][C@H:43]([CH3:18])[CH:33]([CH3:20])[CH3:20])[C@@:45]1([CH3:13])[CH2:40][CH2:23][C@:51]4([H])[C@@:37]2([CH3:18])[CH2:35][CH2:30][C@H:66](O)[CH2:37][C@:82]25[CH:135]=[CH:131][C@:79]34OO5', '33 37 C:21 17.04 -4.48 C:19 12.51 -8.03 H 16.22 -10.12 C:18 16.22 -5.91 C:7 14.96 -10.87 C:11 13.73 -7.30 C:2 10.06 -9.42 C:16 18.40 -8.03 C:6 13.73 -11.58 C:12 14.96 -6.61 C:1 11.27 -8.73 C:15 17.54 -9.16 O 8.85 -11.59 C:9 13.73 -8.73 C:8 14.96 -9.42 C:20 18.00 -5.55 C:3 10.06 -10.87 C:17 17.54 -6.87 C:4 11.27 -11.58 C:5 12.51 -10.87 C:10 12.51 -9.42 C:14 16.19 -8.73 C:13 16.19 -7.30 O 13.90 -10.62 O 13.60 -9.82 C:22 19.41 -5.57 C:23 19.86 -6.90 C:24 21.27 -6.88 C:25 22.00 -8.10 C:27 21.30 -9.33 C:26 23.41 -8.11 H 14.95 -8.05 C:28 21.95 -5.65 16 1 -2 21 2 -1 22 3 -2 23 4 -1 5 9 2 5 15 1 6 10 1 6 14 1 7 11 1 7 17 1 8 12 1 8 18 1 9 20 1 10 23 1 11 21 1 12 22 1 17 13 -1 14 15 1 14 21 1 15 22 1 18 16 -1 17 19 1 18 23 1 19 20 1 20 21 1 22 23 1 20 24 -2 15 25 -2 25 24 1 16 26 1 26 27 2 27 28 1 28 29 1 29 30 1 29 31 1 14 32 -2 28 33 -2', '33 37 C 17.04 -4.48 C 12.51 -8.03 H 16.22 -10.12 C 16.22 -5.91 C 14.96 -10.87 C 13.73 -7.30 C 10.06 -9.42 C 18.40 -8.03 C 13.73 -11.58 C 14.96 -6.61 C 11.27 -8.73 C 17.54 -9.16 O 8.85 -11.59 C 13.73 -8.73 C 14.96 -9.42 C 18.00 -5.55 C 10.06 -10.87 C 17.54 -6.87 C 11.27 -11.58 C 12.51 -10.87 C 12.51 -9.42 C 16.19 -8.73 C 16.19 -7.30 O 13.90 -10.62 O 13.60 -9.82 C 19.41 -5.57 C 19.86 -6.90 C 21.27 -6.88 C 22.00 -8.10 C 21.30 -9.33 C 23.41 -8.11 H 14.95 -8.05 C 21.95 -5.65 16 1 -2 21 2 -1 22 3 -2 23 4 -1 5 9 2 5 15 1 6 10 1 6 14 1 7 11 1 7 17 1 8 12 1 8 18 1 9 20 1 10 23 1 11 21 1 12 22 1 17 13 -1 14 15 1 14 21 1 15 22 1 18 16 -1 17 19 1 18 23 1 19 20 1 20 21 1 22 23 1 20 24 -2 15 25 -2 25 24 1 16 26 1 26 27 2 27 28 1 28 29 1 29 30 1 29 31 1 14 32 -2 28 33 -2', '33 37 C:21 17.04 -4.48 C:18 12.51 -8.03 H 16.22 -10.12 C:13 16.22 -5.91 C:131 14.96 -10.87 C:23 13.73 -7.30 C:30 10.06 -9.42 C:29 18.40 -8.03 C:135 13.73 -11.58 C:40 14.96 -6.61 C:35 11.27 -8.73 C:21 17.54 -9.16 O 8.85 -11.59 C:51 13.73 -8.73 C:79 14.96 -9.42 C:40 18.00 -5.55 C:66 10.06 -10.87 C:56 17.54 -6.87 C:37 11.27 -11.58 C:82 12.51 -10.87 C:37 12.51 -9.42 C:52 16.19 -8.73 C:45 16.19 -7.30 O 13.90 -10.62 O 13.60 -9.82 C:135 19.41 -5.57 C:132 19.86 -6.90 C:43 21.27 -6.88 C:33 22.00 -8.10 C:20 21.30 -9.33 C:20 23.41 -8.11 H 14.95 -8.05 C:18 21.95 -5.65 16 1 -2 21 2 -1 22 3 -2 23 4 -1 5 9 2 5 15 1 6 10 1 6 14 1 7 11 1 7 17 1 8 12 1 8 18 1 9 20 1 10 23 1 11 21 1 12 22 1 17 13 -1 14 15 1 14 21 1 15 22 1 18 16 -1 17 19 1 18 23 1 19 20 1 20 21 1 22 23 1 20 24 -2 15 25 -2 25 24 1 16 26 1 26 27 2 27 28 1 28 29 1 29 30 1 29 31 1 14 32 -2 28 33 -2', 'C28H44O3', 428.314, 'C', 'ph54_757_6', 1928, '', '', '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
(2470, 'Stigmasterol', '', 'Steroids', 'Stigmastanes', '', '[H][C@@:8]23[CH2:7][CH:6]=[C:5]1[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:18])[C@@:9]2([H])[CH2:11][CH2:12][C@:13]4([CH3:19])[C@@H:17]([C@H:20]([CH3:21])[CH:22]=[CH:23][C@@H:24]([CH2:24001][CH3:24002])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]34[H]', '[H][C@@]23CC=C1C[C@@H](O)CC[C@]1(C)[C@@]2([H])CC[C@]4(C)[C@@H]([C@H](C)C=C[C@@H](CC)C(C)C)CC[C@@]34[H]', '[H][C@@:34]23[CH2:34][CH:122]=[C:141]1[CH2:42][C@@H:72](O)[CH2:32][CH2:37][C@:36]1([CH3:12])[C@@:50]2([H])[CH2:21][CH2:40][C@:42]4([CH3:19])[C@@H:56]([C@H:40]([CH3:21])[CH:139]=[CH:129][C@@H:51]([CH2:25][CH3:12])[CH:32]([CH3:21])[CH3:20])[CH2:28][CH2:24][C@@:57]34[H]', '33 36 H 17.48 -10.36 H 18.76 -11.75 H 16.26 -11.74 C:24002 26.09 -6.35 C:27 24.77 -10.37 C:26 26.62 -8.73 C:21 19.56 -6.43 C:19 18.75 -7.87 C:18 14.93 -10.01 O 11.29 -13.66 C:24001 24.71 -6.63 C:22 21.92 -7.22 C:23 22.87 -8.26 C:2 12.47 -11.45 C:16 20.91 -10.01 C:6 16.23 -13.62 C:15 20.07 -11.14 C:7 17.47 -12.92 C:11 16.23 -9.31 C:1 13.70 -10.72 C:12 17.47 -8.57 C:4 13.70 -13.62 C:25 25.21 -9.05 C:20 20.51 -7.50 C:3 12.47 -12.92 C:24 24.26 -7.96 C:17 20.07 -8.86 C:5 14.93 -12.92 C:8 17.47 -11.45 C:14 18.74 -10.72 C:9 16.23 -10.72 C:13 18.74 -9.31 C:10 14.93 -11.45 29 1 -1 30 2 -2 31 3 -2 4 11 1 5 23 1 6 23 1 24 7 -2 32 8 -1 33 9 -1 25 10 -1 26 11 -1 12 13 2 12 24 1 13 26 1 14 20 1 14 25 1 15 17 1 15 27 1 16 18 1 16 28 2 17 30 1 18 29 1 19 21 1 19 31 1 20 33 1 21 32 1 22 25 1 22 28 1 23 26 1 27 24 -1 27 32 1 28 33 1 29 30 1 29 31 1 30 32 1 31 33 1', '33 36 H 17.48 -10.36 H 18.76 -11.75 H 16.26 -11.74 C 26.09 -6.35 C 24.77 -10.37 C 26.62 -8.73 C 19.56 -6.43 C 18.75 -7.87 C 14.93 -10.01 O 11.29 -13.66 C 24.71 -6.63 C 21.92 -7.22 C 22.87 -8.26 C 12.47 -11.45 C 20.91 -10.01 C 16.23 -13.62 C 20.07 -11.14 C 17.47 -12.92 C 16.23 -9.31 C 13.70 -10.72 C 17.47 -8.57 C 13.70 -13.62 C 25.21 -9.05 C 20.51 -7.50 C 12.47 -12.92 C 24.26 -7.96 C 20.07 -8.86 C 14.93 -12.92 C 17.47 -11.45 C 18.74 -10.72 C 16.23 -10.72 C 18.74 -9.31 C 14.93 -11.45 29 1 -1 30 2 -2 31 3 -2 4 11 1 5 23 1 6 23 1 24 7 -2 32 8 -1 33 9 -1 25 10 -1 26 11 -1 12 13 2 12 24 1 13 26 1 14 20 1 14 25 1 15 17 1 15 27 1 16 18 1 16 28 2 17 30 1 18 29 1 19 21 1 19 31 1 20 33 1 21 32 1 22 25 1 22 28 1 23 26 1 27 24 -1 27 32 1 28 33 1 29 30 1 29 31 1 30 32 1 31 33 1', '33 36 H 17.48 -10.36 H 18.76 -11.75 H 16.26 -11.74 C:12 26.09 -6.35 C:20 24.77 -10.37 C:21 26.62 -8.73 C:21 19.56 -6.43 C:19 18.75 -7.87 C:12 14.93 -10.01 O 11.29 -13.66 C:25 24.71 -6.63 C:139 21.92 -7.22 C:129 22.87 -8.26 C:32 12.47 -11.45 C:28 20.91 -10.01 C:122 16.23 -13.62 C:24 20.07 -11.14 C:34 17.47 -12.92 C:21 16.23 -9.31 C:37 13.70 -10.72 C:40 17.47 -8.57 C:42 13.70 -13.62 C:32 25.21 -9.05 C:40 20.51 -7.50 C:72 12.47 -12.92 C:51 24.26 -7.96 C:56 20.07 -8.86 C:141 14.93 -12.92 C:34 17.47 -11.45 C:57 18.74 -10.72 C:50 16.23 -10.72 C:42 18.74 -9.31 C:36 14.93 -11.45 29 1 -1 30 2 -2 31 3 -2 4 11 1 5 23 1 6 23 1 24 7 -2 32 8 -1 33 9 -1 25 10 -1 26 11 -1 12 13 2 12 24 1 13 26 1 14 20 1 14 25 1 15 17 1 15 27 1 16 18 1 16 28 2 17 30 1 18 29 1 19 21 1 19 31 1 20 33 1 21 32 1 22 25 1 22 28 1 23 26 1 27 24 -1 27 32 1 28 33 1 29 30 1 29 31 1 30 32 1 31 33 1', 'C29H48O', 412.334, 'C', 'Ph_An_2004_125_2', 96, '', '', '2', 1, NULL, NULL),
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