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
(3556, 'Aleuritolonic acid', 'Taraxer-14-en-3-on-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Taraxeranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:26])[C:14]2=[CH:15][CH2:16][C@@:17]1([C:28](=O)O)[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]1([H])[C@:13]2([CH3:27])[CH2:12][CH2:11][C@:9]3([H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C:3](=O)[C@:4]5([CH3:23])[CH3:24]', '[H][C@@]45CC[C@@]3(C)C2=CC[C@@]1(C(=O)O)CC[C@](C)(C)C[C@@]1([H])[C@]2(C)CC[C@]3([H])[C@@]4(C)CCC(=O)[C@]5(C)C', '[H][C@@:56]45[CH2:22][CH2:35][C@@:39]3([CH3:29])[C:162]2=[CH:117][CH2:31][C@@:52]1([C:185](=O)O)[CH2:32][CH2:34][C@:29]([CH3:33])([CH3:23])[CH2:40][C@@:41]1([H])[C@:38]2([CH3:26])[CH2:31][CH2:17][C@:49]3([H])[C@@:37]4([CH3:15])[CH2:38][CH2:34][C:217](=O)[C@:48]5([CH3:26])[CH3:20]', '36 40 H 11.43 -15.85 H 12.72 -13.63 H 16.39 -11.77 C:30 16.82 -7.19 C:29 18.45 -7.20 C:24 9.43 -16.68 C:23 10.92 -16.73 C:26 13.95 -11.90 C:27 15.16 -9.80 C:25 11.43 -11.90 O 20.05 -11.15 O 7.81 -15.53 O 18.86 -13.28 C:15 16.39 -13.34 C:16 17.63 -12.61 C:2 8.99 -13.34 C:21 18.86 -9.09 C:6 12.69 -15.49 C:11 12.69 -11.19 C:1 10.20 -12.61 C:7 13.94 -14.79 C:12 13.94 -10.50 C:22 18.86 -10.50 C:19 16.39 -9.09 C:28 18.85 -11.87 C:3 8.99 -14.79 C:14 15.16 -12.61 C:20 17.63 -8.36 C:4 10.20 -15.49 C:5 11.43 -14.79 C:9 12.69 -12.61 C:18 16.39 -10.50 C:8 13.94 -13.34 C:13 15.16 -11.19 C:10 11.43 -13.34 C:17 17.63 -11.19 30 1 -2 31 2 -2 32 3 -1 28 4 -1 28 5 -2 29 6 -1 29 7 -2 33 8 -1 34 9 -2 35 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 27 2 15 36 1 16 20 1 16 26 1 17 23 1 17 28 1 18 21 1 18 30 1 19 22 1 19 31 1 20 35 1 21 33 1 22 34 1 23 36 1 24 28 1 24 32 1 36 25 -1 26 29 1 27 33 1 27 34 1 29 30 1 30 35 1 31 33 1 31 35 1 32 34 1 32 36 1', '36 40 H 11.43 -15.85 H 12.72 -13.63 H 16.39 -11.77 C 16.82 -7.19 C 18.45 -7.20 C 9.43 -16.68 C 10.92 -16.73 C 13.95 -11.90 C 15.16 -9.80 C 11.43 -11.90 O 20.05 -11.15 O 7.81 -15.53 O 18.86 -13.28 C 16.39 -13.34 C 17.63 -12.61 C 8.99 -13.34 C 18.86 -9.09 C 12.69 -15.49 C 12.69 -11.19 C 10.20 -12.61 C 13.94 -14.79 C 13.94 -10.50 C 18.86 -10.50 C 16.39 -9.09 C 18.85 -11.87 C 8.99 -14.79 C 15.16 -12.61 C 17.63 -8.36 C 10.20 -15.49 C 11.43 -14.79 C 12.69 -12.61 C 16.39 -10.50 C 13.94 -13.34 C 15.16 -11.19 C 11.43 -13.34 C 17.63 -11.19 30 1 -2 31 2 -2 32 3 -1 28 4 -1 28 5 -2 29 6 -1 29 7 -2 33 8 -1 34 9 -2 35 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 27 2 15 36 1 16 20 1 16 26 1 17 23 1 17 28 1 18 21 1 18 30 1 19 22 1 19 31 1 20 35 1 21 33 1 22 34 1 23 36 1 24 28 1 24 32 1 36 25 -1 26 29 1 27 33 1 27 34 1 29 30 1 30 35 1 31 33 1 31 35 1 32 34 1 32 36 1', '36 40 H 11.43 -15.85 H 12.72 -13.63 H 16.39 -11.77 C:23 16.82 -7.19 C:33 18.45 -7.20 C:20 9.43 -16.68 C:26 10.92 -16.73 C:29 13.95 -11.90 C:26 15.16 -9.80 C:15 11.43 -11.90 O 20.05 -11.15 O 7.81 -15.53 O 18.86 -13.28 C:117 16.39 -13.34 C:31 17.63 -12.61 C:34 8.99 -13.34 C:34 18.86 -9.09 C:22 12.69 -15.49 C:17 12.69 -11.19 C:38 10.20 -12.61 C:35 13.94 -14.79 C:31 13.94 -10.50 C:32 18.86 -10.50 C:40 16.39 -9.09 C:185 18.85 -11.87 C:217 8.99 -14.79 C:162 15.16 -12.61 C:29 17.63 -8.36 C:48 10.20 -15.49 C:56 11.43 -14.79 C:49 12.69 -12.61 C:41 16.39 -10.50 C:39 13.94 -13.34 C:38 15.16 -11.19 C:37 11.43 -13.34 C:52 17.63 -11.19 30 1 -2 31 2 -2 32 3 -1 28 4 -1 28 5 -2 29 6 -1 29 7 -2 33 8 -1 34 9 -2 35 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 27 2 15 36 1 16 20 1 16 26 1 17 23 1 17 28 1 18 21 1 18 30 1 19 22 1 19 31 1 20 35 1 21 33 1 22 34 1 23 36 1 24 28 1 24 32 1 36 25 -1 26 29 1 27 33 1 27 34 1 29 30 1 30 35 1 31 33 1 31 35 1 32 34 1 32 36 1', 'C30H46O3', 454.343, 'C', 'M-156', 307, 'M-345', '', '3', 1, NULL, NULL),
(3557, 'acetyl Aleuritolic acid', '', 'Terpenoids', 'Triterpenoids', 'Taraxeranes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:26])[C:14]2=[CH:15][CH2:16][C@@:17]1([C:28](=O)O)[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]1([H])[C@:13]2([CH3:27])[CH2:12][CH2:11][C@:9]3([H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]5([CH3:23])[CH3:24]', '[H][C@@]45CC[C@@]3(C)C2=CC[C@@]1(C(=O)O)CC[C@](C)(C)C[C@@]1([H])[C@]2(C)CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)[C@]5(C)C', '[H][C@@:56]45[CH2:19][CH2:41][C@@:39]3([CH3:26])[C:161]2=[CH:117][CH2:31][C@@:51]1([C:184](=O)O)[CH2:31][CH2:34][C@:29]([CH3:32])([CH3:29])[CH2:35][C@@:41]1([H])[C@:37]2([CH3:22])[CH2:33][CH2:17][C@:49]3([H])[C@@:38]4([CH3:16])[CH2:37][CH2:23][C@H:81](O[C:9999]([CH3:9999])=O)[C@:38]5([CH3:28])[CH3:17]', '39 43 H 12.04 -15.84 H 13.33 -13.63 H 17.00 -11.77 C:30 17.43 -7.19 C:29 19.06 -7.20 C:24 10.04 -16.67 C:23 11.53 -16.72 C:26 14.56 -11.90 C:27 15.77 -9.80 C:25 12.04 -11.90 O 20.66 -11.15 O 19.47 -13.28 C:15 17.00 -13.34 C:16 18.24 -12.61 C:2 9.60 -13.34 C:21 19.47 -9.09 C:6 13.30 -15.49 C:11 13.30 -11.19 C:1 10.81 -12.61 C:7 14.55 -14.79 C:12 14.55 -10.50 C:22 19.47 -10.50 C:19 17.00 -9.09 C:28 19.46 -11.87 C:3 9.60 -14.79 C:14 15.77 -12.61 C:20 18.24 -8.36 C:4 10.81 -15.49 C:5 12.04 -14.79 C:9 13.30 -12.61 C:18 17.00 -10.50 C:8 14.55 -13.34 C:13 15.77 -11.19 C:10 12.04 -13.34 C:17 18.24 -11.19 O 8.41 -15.53 C:3001 7.18 -14.86 C:3002 5.99 -15.60 O 7.14 -13.46 29 1 -2 30 2 -2 31 3 -1 27 4 -1 27 5 -2 28 6 -1 28 7 -2 32 8 -1 33 9 -2 34 10 -1 11 24 2 12 24 1 13 14 1 13 26 2 14 35 1 15 19 1 15 25 1 16 22 1 16 27 1 17 20 1 17 29 1 18 21 1 18 30 1 19 34 1 20 32 1 21 33 1 22 35 1 23 27 1 23 31 1 35 24 -1 25 28 1 26 32 1 26 33 1 28 29 1 29 34 1 30 32 1 30 34 1 31 33 1 31 35 1 25 36 -1 36 37 1 37 38 1 37 39 2', '39 43 H 12.04 -15.84 H 13.33 -13.63 H 17.00 -11.77 C 17.43 -7.19 C 19.06 -7.20 C 10.04 -16.67 C 11.53 -16.72 C 14.56 -11.90 C 15.77 -9.80 C 12.04 -11.90 O 20.66 -11.15 O 19.47 -13.28 C 17.00 -13.34 C 18.24 -12.61 C 9.60 -13.34 C 19.47 -9.09 C 13.30 -15.49 C 13.30 -11.19 C 10.81 -12.61 C 14.55 -14.79 C 14.55 -10.50 C 19.47 -10.50 C 17.00 -9.09 C 19.46 -11.87 C 9.60 -14.79 C 15.77 -12.61 C 18.24 -8.36 C 10.81 -15.49 C 12.04 -14.79 C 13.30 -12.61 C 17.00 -10.50 C 14.55 -13.34 C 15.77 -11.19 C 12.04 -13.34 C 18.24 -11.19 O 8.41 -15.53 C 7.18 -14.86 C 5.99 -15.60 O 7.14 -13.46 29 1 -2 30 2 -2 31 3 -1 27 4 -1 27 5 -2 28 6 -1 28 7 -2 32 8 -1 33 9 -2 34 10 -1 11 24 2 12 24 1 13 14 1 13 26 2 14 35 1 15 19 1 15 25 1 16 22 1 16 27 1 17 20 1 17 29 1 18 21 1 18 30 1 19 34 1 20 32 1 21 33 1 22 35 1 23 27 1 23 31 1 35 24 -1 25 28 1 26 32 1 26 33 1 28 29 1 29 34 1 30 32 1 30 34 1 31 33 1 31 35 1 25 36 -1 36 37 1 37 38 1 37 39 2', '39 43 H 12.04 -15.84 H 13.33 -13.63 H 17.00 -11.77 C:29 17.43 -7.19 C:32 19.06 -7.20 C:17 10.04 -16.67 C:28 11.53 -16.72 C:26 14.56 -11.90 C:22 15.77 -9.80 C:16 12.04 -11.90 O 20.66 -11.15 O 19.47 -13.28 C:117 17.00 -13.34 C:31 18.24 -12.61 C:23 9.60 -13.34 C:34 19.47 -9.09 C:19 13.30 -15.49 C:17 13.30 -11.19 C:37 10.81 -12.61 C:41 14.55 -14.79 C:33 14.55 -10.50 C:31 19.47 -10.50 C:35 17.00 -9.09 C:184 19.46 -11.87 C:81 9.60 -14.79 C:161 15.77 -12.61 C:29 18.24 -8.36 C:38 10.81 -15.49 C:56 12.04 -14.79 C:49 13.30 -12.61 C:41 17.00 -10.50 C:39 14.55 -13.34 C:37 15.77 -11.19 C:38 12.04 -13.34 C:51 18.24 -11.19 O 8.41 -15.53 C 7.18 -14.86 C 5.99 -15.60 O 7.14 -13.46 29 1 -2 30 2 -2 31 3 -1 27 4 -1 27 5 -2 28 6 -1 28 7 -2 32 8 -1 33 9 -2 34 10 -1 11 24 2 12 24 1 13 14 1 13 26 2 14 35 1 15 19 1 15 25 1 16 22 1 16 27 1 17 20 1 17 29 1 18 21 1 18 30 1 19 34 1 20 32 1 21 33 1 22 35 1 23 27 1 23 31 1 35 24 -1 25 28 1 26 32 1 26 33 1 28 29 1 29 34 1 30 32 1 30 34 1 31 33 1 31 35 1 25 36 -1 36 37 1 37 38 1 37 39 2', 'C32H50O4', 498.364, 'C', 'M-157', 1499, 'M-346', '', '3', 1, NULL, NULL),
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(3569, '27-Hydroxyfriedelane', '27-Hydroxy-D:A-friedo-oleanane', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][CH2:3][C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH2:27]O)[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@@]12CCC[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(CO)[C@]3([H])C[C@@](C)(C)CC[C@]3(C)CC[C@]45C', '[H][C@@:61]12[CH2:21][CH2:27][CH2:37][C@H:46]([CH3:13])[C@@:38]1([CH3:15])[CH2:43][CH2:21][C@@:53]4([H])[C@@:37]2([CH3:20])[CH2:35][CH2:24][C@@:42]5([CH2:64]O)[C@:44]3([H])[CH2:35][C@@:28]([CH3:9999])([CH3:32])[CH2:33][CH2:39][C@:30]3([CH3:32])[CH2:36][CH2:30][C@:40]45[CH3:18]', '34 38 C:5 10.84 -11.92 C:10 10.84 -10.49 C:1 9.61 -9.78 C:2 8.38 -10.49 C:3 8.38 -11.92 C:4 9.61 -12.64 C:6 12.09 -12.64 C:7 13.33 -11.92 C:8 13.33 -10.49 C:9 12.09 -9.78 C:14 14.56 -9.78 C:13 14.56 -8.35 C:12 13.33 -7.64 C:11 12.09 -8.35 C:15 15.80 -10.49 C:16 17.03 -9.78 C:17 17.03 -8.35 C:18 15.80 -7.64 C:22 18.27 -7.64 C:21 18.27 -6.20 C:20 17.03 -5.49 C:19 15.80 -6.20 C:26 14.61 -11.21 C:27 14.56 -6.92 C:30 16.15 -4.34 C:29 17.84 -4.29 C:28 17.03 -6.92 C:23 9.61 -14.07 C:24 10.84 -13.36 C:25 12.09 -11.21 H 15.80 -8.78 H 13.33 -9.46 H 10.84 -9.46 O 13.34 -6.23 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 24 34 1', '34 38 C 10.84 -11.92 C 10.84 -10.49 C 9.61 -9.78 C 8.38 -10.49 C 8.38 -11.92 C 9.61 -12.64 C 12.09 -12.64 C 13.33 -11.92 C 13.33 -10.49 C 12.09 -9.78 C 14.56 -9.78 C 14.56 -8.35 C 13.33 -7.64 C 12.09 -8.35 C 15.80 -10.49 C 17.03 -9.78 C 17.03 -8.35 C 15.80 -7.64 C 18.27 -7.64 C 18.27 -6.20 C 17.03 -5.49 C 15.80 -6.20 C 14.61 -11.21 C 14.56 -6.92 C 16.15 -4.34 C 17.84 -4.29 C 17.03 -6.92 C 9.61 -14.07 C 10.84 -13.36 C 12.09 -11.21 H 15.80 -8.78 H 13.33 -9.46 H 10.84 -9.46 O 13.34 -6.23 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 24 34 1', '34 38 C:38 10.84 -11.92 C:61 10.84 -10.49 C:21 9.61 -9.78 C:27 8.38 -10.49 C:37 8.38 -11.92 C:46 9.61 -12.64 C:43 12.09 -12.64 C:21 13.33 -11.92 C:53 13.33 -10.49 C:37 12.09 -9.78 C:40 14.56 -9.78 C:42 14.56 -8.35 C:24 13.33 -7.64 C:35 12.09 -8.35 C:30 15.80 -10.49 C:36 17.03 -9.78 C:30 17.03 -8.35 C:44 15.80 -7.64 C:39 18.27 -7.64 C:33 18.27 -6.20 C:28 17.03 -5.49 C:35 15.80 -6.20 C:18 14.61 -11.21 C:64 14.56 -6.92 C:32 16.15 -4.34 C 17.84 -4.29 C:32 17.03 -6.92 C:13 9.61 -14.07 C:15 10.84 -13.36 C:20 12.09 -11.21 H 15.80 -8.78 H 13.33 -9.46 H 10.84 -9.46 O 13.34 -6.23 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 24 34 1', 'C30H52O', 428.344, 'C', 'M-169', 786, '', '', '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
(3570, 'D:A Friedooleannan-28-ol', '28-Hydroxy-D:A-friedo-oleanane', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][CH2:3][C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH2:28]O)[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@@]12CCC[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@@](C)(C)CC[C@]3(CO)CC[C@]45C', '[H][C@@:61]12[CH2:21][CH2:27][CH2:31][C@H:46]([CH3:15])[C@@:38]1([CH3:14])[CH2:41][CH2:18][C@@:53]4([H])[C@@:37]2([CH3:18])[CH2:35][CH2:30][C@@:39]5([CH3:19])[C@:40]3([H])[CH2:35][C@@:28]([CH3:31])([CH3:35])[CH2:33][CH2:33][C@:34]3([CH2:68]O)[CH2:29][CH2:31][C@:38]45[CH3:19]', '34 38 C:5 10.22 -10.81 C:10 10.22 -9.37 C:1 9.00 -8.66 C:2 7.77 -9.37 C:3 7.77 -10.81 C:4 9.00 -11.53 C:6 11.48 -11.53 C:7 12.72 -10.81 C:8 12.72 -9.37 C:9 11.48 -8.66 C:14 13.95 -8.66 C:13 13.95 -7.24 C:12 12.72 -6.53 C:11 11.48 -7.24 C:15 15.19 -9.37 C:16 16.42 -8.66 C:17 16.42 -7.24 C:18 15.19 -6.53 C:22 17.67 -6.53 C:21 17.67 -5.09 C:20 16.42 -4.38 C:19 15.19 -5.09 C:26 14.00 -10.10 C:27 13.95 -5.81 C:30 15.54 -3.23 C:29 17.23 -3.18 C:23 9.00 -12.96 C:24 10.22 -12.25 C:25 11.48 -10.10 H 15.19 -7.67 H 12.72 -8.35 H 10.22 -8.35 C:28 17.64 -7.94 O 18.85 -7.24 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 6 27 -1 1 28 -1 10 29 -1 18 30 -1 9 31 -2 2 32 -2 17 33 -1 33 34 1', '34 38 C 10.22 -10.81 C 10.22 -9.37 C 9.00 -8.66 C 7.77 -9.37 C 7.77 -10.81 C 9.00 -11.53 C 11.48 -11.53 C 12.72 -10.81 C 12.72 -9.37 C 11.48 -8.66 C 13.95 -8.66 C 13.95 -7.24 C 12.72 -6.53 C 11.48 -7.24 C 15.19 -9.37 C 16.42 -8.66 C 16.42 -7.24 C 15.19 -6.53 C 17.67 -6.53 C 17.67 -5.09 C 16.42 -4.38 C 15.19 -5.09 C 14.00 -10.10 C 13.95 -5.81 C 15.54 -3.23 C 17.23 -3.18 C 9.00 -12.96 C 10.22 -12.25 C 11.48 -10.10 H 15.19 -7.67 H 12.72 -8.35 H 10.22 -8.35 C 17.64 -7.94 O 18.85 -7.24 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 6 27 -1 1 28 -1 10 29 -1 18 30 -1 9 31 -2 2 32 -2 17 33 -1 33 34 1', '34 38 C:38 10.22 -10.81 C:61 10.22 -9.37 C:21 9.00 -8.66 C:27 7.77 -9.37 C:31 7.77 -10.81 C:46 9.00 -11.53 C:41 11.48 -11.53 C:18 12.72 -10.81 C:53 12.72 -9.37 C:37 11.48 -8.66 C:38 13.95 -8.66 C:39 13.95 -7.24 C:30 12.72 -6.53 C:35 11.48 -7.24 C:31 15.19 -9.37 C:29 16.42 -8.66 C:34 16.42 -7.24 C:40 15.19 -6.53 C:33 17.67 -6.53 C:33 17.67 -5.09 C:28 16.42 -4.38 C:35 15.19 -5.09 C:19 14.00 -10.10 C:19 13.95 -5.81 C:35 15.54 -3.23 C:31 17.23 -3.18 C:15 9.00 -12.96 C:14 10.22 -12.25 C:18 11.48 -10.10 H 15.19 -7.67 H 12.72 -8.35 H 10.22 -8.35 C:68 17.64 -7.94 O 18.85 -7.24 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 6 27 -1 1 28 -1 10 29 -1 18 30 -1 9 31 -2 2 32 -2 17 33 -1 33 34 1', 'C30H52O', 428.344, 'C', 'M-170', 1768, 'A-362', '', '3', 1, NULL, NULL),
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(3583, '', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][C@H:15](O)[C@:14]45[CH3:26]', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(C)CC[C@]3(C)C[C@H](O)[C@]45C', '[H][C@@:59]12[CH2:22][CH2:42][C:213](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:15])[CH2:41][CH2:20][C@@:54]4([H])[C@@:38]2([CH3:18])[CH2:36][CH2:31][C@@:41]5([CH3:19])[C@:42]3([H])[CH2:36][C@:28]([CH3:36])([CH3:31])[CH2:32][CH2:39][C@:30]3([CH3:33])[CH2:48][C@H:75](O)[C@:44]45[CH3:14]', '35 39 H 15.01 -9.57 H 10.06 -10.25 H 12.54 -10.25 C:23 8.83 -14.85 C:29 17.05 -5.08 C:30 15.36 -5.13 C:28 16.24 -7.71 C:24 10.06 -14.14 C:25 11.30 -12.00 C:27 13.77 -7.71 C:26 13.82 -12.00 O 6.39 -13.42 C:2 7.60 -11.28 C:1 8.83 -10.57 C:21 17.48 -6.99 C:22 17.48 -8.43 C:16 16.24 -10.57 C:11 11.30 -9.14 C:15 15.01 -11.28 C:12 12.54 -8.43 C:6 11.30 -13.42 C:19 15.01 -6.99 C:7 12.54 -12.71 C:4 8.83 -13.42 C:3 7.60 -12.71 C:20 16.24 -6.28 C:17 16.24 -9.14 C:18 15.01 -8.43 C:10 10.06 -11.28 C:8 12.54 -11.28 C:5 10.06 -12.71 C:9 11.30 -10.57 C:13 13.77 -9.14 C:14 13.77 -10.57 O 15.02 -12.68 28 1 -1 29 2 -2 30 3 -2 24 4 -1 26 5 -2 26 6 -1 27 7 -1 31 8 -1 32 9 -1 33 10 -2 34 11 -1 12 25 2 13 14 1 13 25 1 14 29 1 15 16 1 15 26 1 16 27 1 17 19 1 17 27 1 18 20 1 18 32 1 19 34 1 20 33 1 21 23 1 21 31 1 22 26 1 22 28 1 23 30 1 24 25 1 24 31 1 27 28 1 28 33 1 29 31 1 29 32 1 30 32 1 30 34 1 33 34 1 19 35 -2', '35 39 H 15.01 -9.57 H 10.06 -10.25 H 12.54 -10.25 C 8.83 -14.85 C 17.05 -5.08 C 15.36 -5.13 C 16.24 -7.71 C 10.06 -14.14 C 11.30 -12.00 C 13.77 -7.71 C 13.82 -12.00 O 6.39 -13.42 C 7.60 -11.28 C 8.83 -10.57 C 17.48 -6.99 C 17.48 -8.43 C 16.24 -10.57 C 11.30 -9.14 C 15.01 -11.28 C 12.54 -8.43 C 11.30 -13.42 C 15.01 -6.99 C 12.54 -12.71 C 8.83 -13.42 C 7.60 -12.71 C 16.24 -6.28 C 16.24 -9.14 C 15.01 -8.43 C 10.06 -11.28 C 12.54 -11.28 C 10.06 -12.71 C 11.30 -10.57 C 13.77 -9.14 C 13.77 -10.57 O 15.02 -12.68 28 1 -1 29 2 -2 30 3 -2 24 4 -1 26 5 -2 26 6 -1 27 7 -1 31 8 -1 32 9 -1 33 10 -2 34 11 -1 12 25 2 13 14 1 13 25 1 14 29 1 15 16 1 15 26 1 16 27 1 17 19 1 17 27 1 18 20 1 18 32 1 19 34 1 20 33 1 21 23 1 21 31 1 22 26 1 22 28 1 23 30 1 24 25 1 24 31 1 27 28 1 28 33 1 29 31 1 29 32 1 30 32 1 30 34 1 33 34 1 19 35 -2', '35 39 H 15.01 -9.57 H 10.06 -10.25 H 12.54 -10.25 C:7 8.83 -14.85 C:31 17.05 -5.08 C:36 15.36 -5.13 C:33 16.24 -7.71 C:15 10.06 -14.14 C:18 11.30 -12.00 C:19 13.77 -7.71 C:14 13.82 -12.00 O 6.39 -13.42 C:42 7.60 -11.28 C:22 8.83 -10.57 C:32 17.48 -6.99 C:39 17.48 -8.43 C:48 16.24 -10.57 C:36 11.30 -9.14 C:75 15.01 -11.28 C:31 12.54 -8.43 C:41 11.30 -13.42 C:36 15.01 -6.99 C:20 12.54 -12.71 C:58 8.83 -13.42 C:213 7.60 -12.71 C:28 16.24 -6.28 C:30 16.24 -9.14 C:42 15.01 -8.43 C:59 10.06 -11.28 C:54 12.54 -11.28 C:42 10.06 -12.71 C:38 11.30 -10.57 C:41 13.77 -9.14 C:44 13.77 -10.57 O 15.02 -12.68 28 1 -1 29 2 -2 30 3 -2 24 4 -1 26 5 -2 26 6 -1 27 7 -1 31 8 -1 32 9 -1 33 10 -2 34 11 -1 12 25 2 13 14 1 13 25 1 14 29 1 15 16 1 15 26 1 16 27 1 17 19 1 17 27 1 18 20 1 18 32 1 19 34 1 20 33 1 21 23 1 21 31 1 22 26 1 22 28 1 23 30 1 24 25 1 24 31 1 27 28 1 28 33 1 29 31 1 29 32 1 30 32 1 30 34 1 33 34 1 19 35 -2', 'C30H50O2', 442.344, 'C', 'M-183', 1157, '', '', '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
(3584, 'Pachysonol', '16b-Hydroxy-D:A-friedo-olean-3-one ', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH3:28])[C@@H:16](O)[CH2:15][C@:14]45[CH3:26]', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@@](C)(C)CC[C@]3(C)[C@@H](O)C[C@]45C', '[H][C@@:60]12[CH2:22][CH2:42][C:213](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:15])[CH2:41][CH2:19][C@@:54]4([H])[C@@:38]2([CH3:18])[CH2:36][CH2:31][C@@:39]5([CH3:22])[C@:45]3([H])[CH2:36][C@@:28]([CH3:31])([CH3:36])[CH2:32][CH2:36][C@:32]3([CH3:25])[C@@H:76](O)[CH2:44][C@:40]45[CH3:20]', '35 39 C:5 10.84 -14.72 C:10 10.84 -13.29 C:1 9.61 -12.58 C:2 8.38 -13.29 C:3 8.38 -14.72 C:4 9.61 -15.44 C:6 12.09 -15.44 C:7 13.33 -14.72 C:8 13.33 -13.29 C:9 12.09 -12.58 C:14 14.56 -12.58 C:13 14.56 -11.15 C:12 13.33 -10.44 C:11 12.09 -11.15 C:15 15.80 -13.29 C:16 17.03 -12.58 C:17 17.03 -11.15 C:18 15.80 -10.44 C:22 18.27 -10.44 C:21 18.27 -9.00 C:20 17.03 -8.29 C:19 15.80 -9.00 C:26 14.61 -14.01 C:27 14.56 -9.72 C:30 16.15 -7.14 C:29 17.84 -7.09 C:28 17.03 -9.72 C:23 9.61 -16.87 C:24 10.84 -16.16 C:25 12.09 -14.01 H 15.80 -11.58 H 13.33 -12.26 H 10.84 -12.26 O 7.18 -15.43 O 18.24 -13.29 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 5 34 2 16 35 -1', '35 39 C 10.84 -14.72 C 10.84 -13.29 C 9.61 -12.58 C 8.38 -13.29 C 8.38 -14.72 C 9.61 -15.44 C 12.09 -15.44 C 13.33 -14.72 C 13.33 -13.29 C 12.09 -12.58 C 14.56 -12.58 C 14.56 -11.15 C 13.33 -10.44 C 12.09 -11.15 C 15.80 -13.29 C 17.03 -12.58 C 17.03 -11.15 C 15.80 -10.44 C 18.27 -10.44 C 18.27 -9.00 C 17.03 -8.29 C 15.80 -9.00 C 14.61 -14.01 C 14.56 -9.72 C 16.15 -7.14 C 17.84 -7.09 C 17.03 -9.72 C 9.61 -16.87 C 10.84 -16.16 C 12.09 -14.01 H 15.80 -11.58 H 13.33 -12.26 H 10.84 -12.26 O 7.18 -15.43 O 18.24 -13.29 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 5 34 2 16 35 -1', '35 39 C:42 10.84 -14.72 C:60 10.84 -13.29 C:22 9.61 -12.58 C:42 8.38 -13.29 C:213 8.38 -14.72 C:58 9.61 -15.44 C:41 12.09 -15.44 C:19 13.33 -14.72 C:54 13.33 -13.29 C:38 12.09 -12.58 C:40 14.56 -12.58 C:39 14.56 -11.15 C:31 13.33 -10.44 C:36 12.09 -11.15 C:44 15.80 -13.29 C:76 17.03 -12.58 C:32 17.03 -11.15 C:45 15.80 -10.44 C:36 18.27 -10.44 C:32 18.27 -9.00 C:28 17.03 -8.29 C:36 15.80 -9.00 C:20 14.61 -14.01 C:22 14.56 -9.72 C:36 16.15 -7.14 C:31 17.84 -7.09 C:25 17.03 -9.72 C:7 9.61 -16.87 C:15 10.84 -16.16 C:18 12.09 -14.01 H 15.80 -11.58 H 13.33 -12.26 H 10.84 -12.26 O 7.18 -15.43 O 18.24 -13.29 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 11 23 -1 12 24 -2 21 25 -1 21 26 -2 17 27 -1 6 28 -1 1 29 -1 10 30 -1 18 31 -1 9 32 -2 2 33 -2 5 34 2 16 35 -1', 'C30H50O2', 442.344, 'C', 'M-184', 1768, 'A-386', '', '3', 1, NULL, NULL),
(3585, 'Canophyllol', '28-Hydroxy-D:A-friedo-olean-3-one ', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH2:28]O)[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@@](C)(C)CC[C@]3(CO)CC[C@]45C', '[H][C@@:59]12[CH2:22][CH2:41][C:213](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:15])[CH2:41][CH2:18][C@@:52]4([H])[C@@:37]2([CH3:18])[CH2:35][CH2:30][C@@:39]5([CH3:19])[C@:39]3([H])[CH2:34][C@@:28]([CH3:33])([CH3:34])[CH2:31][CH2:33][C@:35]3([CH2:67]O)[CH2:29][CH2:31][C@:38]45[CH3:19]', '35 39 H 10.85 -8.34 H 13.34 -8.34 H 15.81 -7.66 C:23 9.62 -12.95 C:29 17.85 -3.17 C:30 16.16 -3.22 C:24 10.85 -12.24 C:25 12.10 -10.09 C:26 14.62 -10.09 C:27 14.57 -5.80 O 7.19 -11.51 O 19.46 -7.23 C:28 18.25 -7.93 C:2 8.39 -9.37 C:1 9.62 -8.66 C:21 18.28 -5.08 C:7 13.34 -10.80 C:6 12.10 -11.52 C:11 12.10 -7.23 C:12 13.34 -6.52 C:15 15.81 -9.37 C:22 18.28 -6.52 C:16 17.04 -8.66 C:19 15.81 -5.08 C:3 8.39 -10.80 C:4 9.62 -11.52 C:20 17.04 -4.37 C:10 10.85 -9.37 C:8 13.34 -9.37 C:18 15.81 -6.52 C:5 10.85 -10.80 C:9 12.10 -8.66 C:14 14.57 -8.66 C:13 14.57 -7.23 C:17 17.04 -7.23 28 1 -2 29 2 -2 30 3 -1 26 4 -1 27 5 -2 27 6 -1 31 7 -1 32 8 -1 33 9 -1 34 10 -2 11 25 2 12 13 1 35 13 -1 14 15 1 14 25 1 15 28 1 16 22 1 16 27 1 17 18 1 17 29 1 18 31 1 19 20 1 19 32 1 20 34 1 21 23 1 21 33 1 22 35 1 23 35 1 24 27 1 24 30 1 25 26 1 26 31 1 28 31 1 28 32 1 29 32 1 29 33 1 30 34 1 30 35 1 33 34 1', '35 39 H 10.85 -8.34 H 13.34 -8.34 H 15.81 -7.66 C 9.62 -12.95 C 17.85 -3.17 C 16.16 -3.22 C 10.85 -12.24 C 12.10 -10.09 C 14.62 -10.09 C 14.57 -5.80 O 7.19 -11.51 O 19.46 -7.23 C 18.25 -7.93 C 8.39 -9.37 C 9.62 -8.66 C 18.28 -5.08 C 13.34 -10.80 C 12.10 -11.52 C 12.10 -7.23 C 13.34 -6.52 C 15.81 -9.37 C 18.28 -6.52 C 17.04 -8.66 C 15.81 -5.08 C 8.39 -10.80 C 9.62 -11.52 C 17.04 -4.37 C 10.85 -9.37 C 13.34 -9.37 C 15.81 -6.52 C 10.85 -10.80 C 12.10 -8.66 C 14.57 -8.66 C 14.57 -7.23 C 17.04 -7.23 28 1 -2 29 2 -2 30 3 -1 26 4 -1 27 5 -2 27 6 -1 31 7 -1 32 8 -1 33 9 -1 34 10 -2 11 25 2 12 13 1 35 13 -1 14 15 1 14 25 1 15 28 1 16 22 1 16 27 1 17 18 1 17 29 1 18 31 1 19 20 1 19 32 1 20 34 1 21 23 1 21 33 1 22 35 1 23 35 1 24 27 1 24 30 1 25 26 1 26 31 1 28 31 1 28 32 1 29 32 1 29 33 1 30 34 1 30 35 1 33 34 1', '35 39 H 10.85 -8.34 H 13.34 -8.34 H 15.81 -7.66 C:7 9.62 -12.95 C:33 17.85 -3.17 C:34 16.16 -3.22 C:15 10.85 -12.24 C:18 12.10 -10.09 C:19 14.62 -10.09 C:19 14.57 -5.80 O 7.19 -11.51 O 19.46 -7.23 C:67 18.25 -7.93 C:41 8.39 -9.37 C:22 9.62 -8.66 C:31 18.28 -5.08 C:18 13.34 -10.80 C:41 12.10 -11.52 C:35 12.10 -7.23 C:30 13.34 -6.52 C:31 15.81 -9.37 C:33 18.28 -6.52 C:29 17.04 -8.66 C:34 15.81 -5.08 C:213 8.39 -10.80 C:58 9.62 -11.52 C:28 17.04 -4.37 C:59 10.85 -9.37 C:52 13.34 -9.37 C:39 15.81 -6.52 C:42 10.85 -10.80 C:37 12.10 -8.66 C:38 14.57 -8.66 C:39 14.57 -7.23 C:35 17.04 -7.23 28 1 -2 29 2 -2 30 3 -1 26 4 -1 27 5 -2 27 6 -1 31 7 -1 32 8 -1 33 9 -1 34 10 -2 11 25 2 12 13 1 35 13 -1 14 15 1 14 25 1 15 28 1 16 22 1 16 27 1 17 18 1 17 29 1 18 31 1 19 20 1 19 32 1 20 34 1 21 23 1 21 33 1 22 35 1 23 35 1 24 27 1 24 30 1 25 26 1 26 31 1 28 31 1 28 32 1 29 32 1 29 33 1 30 34 1 30 35 1 33 34 1', 'C30H50O2', 442.344, 'C', 'M-185', 1768, '', '', '3', 1, NULL, NULL),
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(3597, 'Polpunic acid', 'D:A-friedo-olean-3-on-29-oic ', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:18]14[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:26])[C@@:8]3([H])[CH2:7][CH2:6][C@:5]2([CH3:24])[C@@H:4]([CH3:23])[C:3](=O)[CH2:2][CH2:1][C@@:10]2([H])[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]45[CH3:27]', '[H][C@@]14C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]5(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C(=O)CC[C@@]2([H])[C@]3(C)CC[C@@]45C', '[H][C@@:44]14[CH2:30][C@:40]([CH3:32])([C:185](=O)O)[CH2:30][CH2:37][C@:30]1([CH3:32])[CH2:36][CH2:30][C@:39]5([CH3:18])[C@@:51]3([H])[CH2:18][CH2:41][C@:42]2([CH3:15])[C@@H:58]([CH3:6])[C:213](=O)[CH2:42][CH2:22][C@@:60]2([H])[C@:37]3([CH3:18])[CH2:35][CH2:30][C@@:39]45[CH3:16]', '36 40 H 15.80 -11.58 H 10.84 -12.26 H 13.33 -12.26 C:23 9.61 -16.87 C:30 16.15 -7.14 C:28 17.03 -9.72 C:24 10.84 -16.16 C:25 12.09 -14.01 C:27 14.56 -9.72 C:26 14.61 -14.01 O 19.23 -7.19 O 7.18 -15.43 O 17.26 -5.82 C:2 8.38 -13.29 C:1 9.61 -12.58 C:21 18.27 -9.00 C:22 18.27 -10.44 C:16 17.03 -12.58 C:7 13.33 -14.72 C:6 12.09 -15.44 C:15 15.80 -13.29 C:11 12.09 -11.15 C:12 13.33 -10.44 C:19 15.80 -9.00 C:29 17.84 -7.09 C:3 8.38 -14.72 C:4 9.61 -15.44 C:20 17.03 -8.29 C:17 17.03 -11.15 C:18 15.80 -10.44 C:10 10.84 -13.29 C:8 13.33 -13.29 C:5 10.84 -14.72 C:9 12.09 -12.58 C:13 14.56 -11.15 C:14 14.56 -12.58 30 1 -1 31 2 -2 32 3 -2 27 4 -1 28 5 -1 29 6 -1 33 7 -1 34 8 -1 35 9 -2 36 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 26 1 15 31 1 16 17 1 16 28 1 17 29 1 18 21 1 18 29 1 19 20 1 19 32 1 20 33 1 21 36 1 22 23 1 22 34 1 23 35 1 24 28 1 24 30 1 28 25 -2 26 27 1 27 33 1 29 30 1 30 35 1 31 33 1 31 34 1 32 34 1 32 36 1 35 36 1', '36 40 H 15.80 -11.58 H 10.84 -12.26 H 13.33 -12.26 C 9.61 -16.87 C 16.15 -7.14 C 17.03 -9.72 C 10.84 -16.16 C 12.09 -14.01 C 14.56 -9.72 C 14.61 -14.01 O 19.23 -7.19 O 7.18 -15.43 O 17.26 -5.82 C 8.38 -13.29 C 9.61 -12.58 C 18.27 -9.00 C 18.27 -10.44 C 17.03 -12.58 C 13.33 -14.72 C 12.09 -15.44 C 15.80 -13.29 C 12.09 -11.15 C 13.33 -10.44 C 15.80 -9.00 C 17.84 -7.09 C 8.38 -14.72 C 9.61 -15.44 C 17.03 -8.29 C 17.03 -11.15 C 15.80 -10.44 C 10.84 -13.29 C 13.33 -13.29 C 10.84 -14.72 C 12.09 -12.58 C 14.56 -11.15 C 14.56 -12.58 30 1 -1 31 2 -2 32 3 -2 27 4 -1 28 5 -1 29 6 -1 33 7 -1 34 8 -1 35 9 -2 36 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 26 1 15 31 1 16 17 1 16 28 1 17 29 1 18 21 1 18 29 1 19 20 1 19 32 1 20 33 1 21 36 1 22 23 1 22 34 1 23 35 1 24 28 1 24 30 1 28 25 -2 26 27 1 27 33 1 29 30 1 30 35 1 31 33 1 31 34 1 32 34 1 32 36 1 35 36 1', '36 40 H 15.80 -11.58 H 10.84 -12.26 H 13.33 -12.26 C:6 9.61 -16.87 C:32 16.15 -7.14 C:32 17.03 -9.72 C:15 10.84 -16.16 C:18 12.09 -14.01 C:16 14.56 -9.72 C:18 14.61 -14.01 O 19.23 -7.19 O 7.18 -15.43 O 17.26 -5.82 C:42 8.38 -13.29 C:22 9.61 -12.58 C:30 18.27 -9.00 C:37 18.27 -10.44 C:36 17.03 -12.58 C:18 13.33 -14.72 C:41 12.09 -15.44 C:30 15.80 -13.29 C:35 12.09 -11.15 C:30 13.33 -10.44 C:30 15.80 -9.00 C:185 17.84 -7.09 C:213 8.38 -14.72 C:58 9.61 -15.44 C:40 17.03 -8.29 C:30 17.03 -11.15 C:44 15.80 -10.44 C:60 10.84 -13.29 C:51 13.33 -13.29 C:42 10.84 -14.72 C:37 12.09 -12.58 C:39 14.56 -11.15 C:39 14.56 -12.58 30 1 -1 31 2 -2 32 3 -2 27 4 -1 28 5 -1 29 6 -1 33 7 -1 34 8 -1 35 9 -2 36 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 26 1 15 31 1 16 17 1 16 28 1 17 29 1 18 21 1 18 29 1 19 20 1 19 32 1 20 33 1 21 36 1 22 23 1 22 34 1 23 35 1 24 28 1 24 30 1 28 25 -2 26 27 1 27 33 1 29 30 1 30 35 1 31 33 1 31 34 1 32 34 1 32 36 1 35 36 1', 'C30H48O3', 456.343, 'C', 'M-197', 1815, 'A-396', '', '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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(3610, 'methylursonate', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]34[CH2:11][CH:12]=[C:13]1[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]2([C:28](=O)O[CH3:28001])[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@H:19]([CH3:29])[C@@:18]12[H])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@@:4]([CH3:23])([CH3:24])[C:3](=O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34CC=C1[C@@](C)(CC[C@@]2(C(=O)OC)CC[C@@H](C)[C@H](C)[C@@]12[H])[C@]3(C)CC[C@@]5([H])[C@@](C)(C)C(=O)CC[C@]45C', '[H][C@:47]34[CH2:24][CH:125]=[C:138]1[C@@:42]([CH3:24])([CH2:28][CH2:24][C@@:48]2([C:178](=O)O[CH3:9999])[CH2:37][CH2:31][C@@H:39]([CH3:21])[C@H:39]([CH3:17])[C@@:53]12[H])[C@:39]3([CH3:17])[CH2:33][CH2:20][C@@:55]5([H])[C@@:47]([CH3:27])([CH3:22])[C:218](=O)[CH2:34][CH2:39][C@:37]45[CH3:15]', '37 41 H 11.52 -13.84 H 10.30 -16.05 H 15.21 -11.90 C:28001 20.09 -12.09 C:30 16.44 -7.11 C:29 13.97 -8.53 C:24 8.13 -16.84 C:23 9.88 -16.82 C:27 13.97 -14.22 C:25 10.30 -12.11 C:26 12.76 -12.11 O 6.62 -15.63 O 17.67 -13.49 C:12 12.76 -10.68 C:11 11.52 -11.39 C:2 7.83 -13.53 C:21 17.70 -9.25 C:1 9.06 -12.82 C:6 11.52 -15.65 C:22 17.70 -10.68 C:15 15.21 -13.53 C:7 12.76 -14.94 C:16 16.45 -12.82 O 18.88 -11.39 C:3 7.83 -14.94 C:28 17.67 -12.09 C:13 13.97 -11.39 C:20 16.45 -8.53 C:19 15.21 -9.25 C:4 9.06 -15.65 C:9 11.52 -12.82 C:5 10.30 -14.94 C:14 13.97 -12.82 C:18 15.21 -10.68 C:10 10.30 -13.53 C:8 12.76 -13.53 C:17 16.45 -11.39 31 1 -2 32 2 -2 34 3 -1 4 24 1 28 5 -2 29 6 -1 30 7 -1 30 8 -2 33 9 -2 35 10 -1 36 11 -1 12 25 2 13 26 2 14 15 1 14 27 2 15 31 1 16 18 1 16 25 1 17 20 1 17 28 1 18 35 1 19 22 1 19 32 1 20 37 1 21 23 1 21 33 1 22 36 1 23 37 1 24 26 1 25 30 1 37 26 -1 27 33 1 27 34 1 28 29 1 29 34 1 30 32 1 31 35 1 31 36 1 32 35 1 33 36 1 34 37 1', '37 41 H 11.52 -13.84 H 10.30 -16.05 H 15.21 -11.90 C 20.09 -12.09 C 16.44 -7.11 C 13.97 -8.53 C 8.13 -16.84 C 9.88 -16.82 C 13.97 -14.22 C 10.30 -12.11 C 12.76 -12.11 O 6.62 -15.63 O 17.67 -13.49 C 12.76 -10.68 C 11.52 -11.39 C 7.83 -13.53 C 17.70 -9.25 C 9.06 -12.82 C 11.52 -15.65 C 17.70 -10.68 C 15.21 -13.53 C 12.76 -14.94 C 16.45 -12.82 O 18.88 -11.39 C 7.83 -14.94 C 17.67 -12.09 C 13.97 -11.39 C 16.45 -8.53 C 15.21 -9.25 C 9.06 -15.65 C 11.52 -12.82 C 10.30 -14.94 C 13.97 -12.82 C 15.21 -10.68 C 10.30 -13.53 C 12.76 -13.53 C 16.45 -11.39 31 1 -2 32 2 -2 34 3 -1 4 24 1 28 5 -2 29 6 -1 30 7 -1 30 8 -2 33 9 -2 35 10 -1 36 11 -1 12 25 2 13 26 2 14 15 1 14 27 2 15 31 1 16 18 1 16 25 1 17 20 1 17 28 1 18 35 1 19 22 1 19 32 1 20 37 1 21 23 1 21 33 1 22 36 1 23 37 1 24 26 1 25 30 1 37 26 -1 27 33 1 27 34 1 28 29 1 29 34 1 30 32 1 31 35 1 31 36 1 32 35 1 33 36 1 34 37 1', '37 41 H 11.52 -13.84 H 10.30 -16.05 H 15.21 -11.90 C 20.09 -12.09 C:21 16.44 -7.11 C:17 13.97 -8.53 C:22 8.13 -16.84 C:27 9.88 -16.82 C:24 13.97 -14.22 C:15 10.30 -12.11 C:17 12.76 -12.11 O 6.62 -15.63 O 17.67 -13.49 C:125 12.76 -10.68 C:24 11.52 -11.39 C:34 7.83 -13.53 C:31 17.70 -9.25 C:39 9.06 -12.82 C:20 11.52 -15.65 C:37 17.70 -10.68 C:28 15.21 -13.53 C:33 12.76 -14.94 C:24 16.45 -12.82 O 18.88 -11.39 C:218 7.83 -14.94 C:178 17.67 -12.09 C:138 13.97 -11.39 C:39 16.45 -8.53 C:39 15.21 -9.25 C:47 9.06 -15.65 C:47 11.52 -12.82 C:55 10.30 -14.94 C:42 13.97 -12.82 C:53 15.21 -10.68 C:37 10.30 -13.53 C:39 12.76 -13.53 C:48 16.45 -11.39 31 1 -2 32 2 -2 34 3 -1 4 24 1 28 5 -2 29 6 -1 30 7 -1 30 8 -2 33 9 -2 35 10 -1 36 11 -1 12 25 2 13 26 2 14 15 1 14 27 2 15 31 1 16 18 1 16 25 1 17 20 1 17 28 1 18 35 1 19 22 1 19 32 1 20 37 1 21 23 1 21 33 1 22 36 1 23 37 1 24 26 1 25 30 1 37 26 -1 27 33 1 27 34 1 28 29 1 29 34 1 30 32 1 31 35 1 31 36 1 32 35 1 33 36 1 34 37 1', 'C31H48O3', 468.354, 'C', 'M-210', 1030, '', '', '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
(3611, 'quinovic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]23[C:27](=O)O)[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])(CC=C2[C@]1([H])[C@@H](C)[C@H](C)CC[C@]1(C(=O)O)CC[C@]23C(=O)O)[C@@]4(C)CC[C@H](O)[C@]5(C)C', '[H][C@@:56]45[CH2:19][CH2:38][C@:40]3([CH3:18])[C@:47]([H])([CH2:24][CH:129]=[C:134]2[C@:55]1([H])[C@@H:40]([CH3:19])[C@H:38]([CH3:22])[CH2:31][CH2:37][C@:49]1([C:180](=O)O)[CH2:26][CH2:28][C@:57]23[C:178](=O)O)[C@@:38]4([CH3:17])[CH2:39][CH2:27][C@H:78](O)[C@:39]5([CH3:29])[CH3:17]', '38 42 H 12.08 -9.92 H 10.86 -12.12 H 15.77 -7.98 C:30 17.00 -3.19 C:29 14.53 -4.61 C:24 8.69 -12.91 C:23 10.44 -12.89 C:27 14.53 -10.30 C:25 10.86 -8.19 C:26 13.32 -8.19 O 18.23 -9.57 C:12 13.32 -6.76 C:11 12.08 -7.47 C:2 8.39 -9.61 C:21 18.26 -5.33 C:1 9.62 -8.90 C:6 12.08 -11.72 C:22 18.26 -6.76 C:15 15.77 -9.61 C:7 13.32 -11.01 C:16 17.01 -8.90 O 19.45 -7.47 C:3 8.39 -11.01 C:28 18.23 -8.17 C:13 14.53 -7.47 C:20 17.01 -4.61 C:19 15.77 -5.33 C:4 9.62 -11.72 C:9 12.08 -8.90 C:5 10.86 -11.01 C:14 14.53 -8.90 C:18 15.77 -6.76 C:10 10.86 -9.61 C:8 13.32 -9.61 C:17 17.01 -7.47 O 7.17 -11.70 O 15.75 -10.79 O 14.00 -11.69 29 1 -2 30 2 -2 32 3 -1 26 4 -2 27 5 -1 28 6 -1 28 7 -2 31 8 -2 33 9 -1 34 10 -1 11 24 2 12 13 1 12 25 2 13 29 1 14 16 1 14 23 1 15 18 1 15 26 1 16 33 1 17 20 1 17 30 1 18 35 1 19 21 1 19 31 1 20 34 1 21 35 1 22 24 1 23 28 1 35 24 -1 25 31 1 25 32 1 26 27 1 27 32 1 28 30 1 29 33 1 29 34 1 30 33 1 31 34 1 32 35 1 23 36 -1 8 37 2 8 38 1', '38 42 H 12.08 -9.92 H 10.86 -12.12 H 15.77 -7.98 C 17.00 -3.19 C 14.53 -4.61 C 8.69 -12.91 C 10.44 -12.89 C 14.53 -10.30 C 10.86 -8.19 C 13.32 -8.19 O 18.23 -9.57 C 13.32 -6.76 C 12.08 -7.47 C 8.39 -9.61 C 18.26 -5.33 C 9.62 -8.90 C 12.08 -11.72 C 18.26 -6.76 C 15.77 -9.61 C 13.32 -11.01 C 17.01 -8.90 O 19.45 -7.47 C 8.39 -11.01 C 18.23 -8.17 C 14.53 -7.47 C 17.01 -4.61 C 15.77 -5.33 C 9.62 -11.72 C 12.08 -8.90 C 10.86 -11.01 C 14.53 -8.90 C 15.77 -6.76 C 10.86 -9.61 C 13.32 -9.61 C 17.01 -7.47 O 7.17 -11.70 O 15.75 -10.79 O 14.00 -11.69 29 1 -2 30 2 -2 32 3 -1 26 4 -2 27 5 -1 28 6 -1 28 7 -2 31 8 -2 33 9 -1 34 10 -1 11 24 2 12 13 1 12 25 2 13 29 1 14 16 1 14 23 1 15 18 1 15 26 1 16 33 1 17 20 1 17 30 1 18 35 1 19 21 1 19 31 1 20 34 1 21 35 1 22 24 1 23 28 1 35 24 -1 25 31 1 25 32 1 26 27 1 27 32 1 28 30 1 29 33 1 29 34 1 30 33 1 31 34 1 32 35 1 23 36 -1 8 37 2 8 38 1', '38 42 H 12.08 -9.92 H 10.86 -12.12 H 15.77 -7.98 C:22 17.00 -3.19 C:19 14.53 -4.61 C:17 8.69 -12.91 C:29 10.44 -12.89 C:178 14.53 -10.30 C:17 10.86 -8.19 C:18 13.32 -8.19 O 18.23 -9.57 C:129 13.32 -6.76 C:24 12.08 -7.47 C:27 8.39 -9.61 C:31 18.26 -5.33 C:39 9.62 -8.90 C:19 12.08 -11.72 C:37 18.26 -6.76 C:28 15.77 -9.61 C:38 13.32 -11.01 C:26 17.01 -8.90 O 19.45 -7.47 C:78 8.39 -11.01 C:180 18.23 -8.17 C:134 14.53 -7.47 C:38 17.01 -4.61 C:40 15.77 -5.33 C:39 9.62 -11.72 C:47 12.08 -8.90 C:56 10.86 -11.01 C:57 14.53 -8.90 C:55 15.77 -6.76 C:38 10.86 -9.61 C:40 13.32 -9.61 C:49 17.01 -7.47 O 7.17 -11.70 O 15.75 -10.79 O 14.00 -11.69 29 1 -2 30 2 -2 32 3 -1 26 4 -2 27 5 -1 28 6 -1 28 7 -2 31 8 -2 33 9 -1 34 10 -1 11 24 2 12 13 1 12 25 2 13 29 1 14 16 1 14 23 1 15 18 1 15 26 1 16 33 1 17 20 1 17 30 1 18 35 1 19 21 1 19 31 1 20 34 1 21 35 1 22 24 1 23 28 1 35 24 -1 25 31 1 25 32 1 26 27 1 27 32 1 28 30 1 29 33 1 29 34 1 30 33 1 31 34 1 32 35 1 23 36 -1 8 37 2 8 38 1', 'C30H46O5', 486.342, 'C', 'M-211', 1946, '', '', '3', 1, NULL, NULL),
(3612, '', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:26])[C@:14]2([CH3:27])[CH2:15][CH2:16][C@@:17]1([CH3:28])[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@H:19]([CH3:29])[C@@:18]1([H])[C:13]2=[CH:12][C@@H:11](O)[C@:9]3([H])[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@]2(C)CC[C@@]1(C)CC[C@@H](C)[C@H](C)[C@@]1([H])C2=C[C@@H](O)[C@]3([H])[C@@]4(C)CC[C@@H](O)[C@]5(C)C', '[H][C@@:49]45[CH2:18][CH2:35][C@@:44]3([CH3:18])[C@:42]2([CH3:23])[CH2:28][CH2:28][C@@:34]1([CH3:29])[CH2:41][CH2:31][C@@H:39]([CH3:21])[C@H:39]([CH3:18])[C@@:58]1([H])[C:143]2=[CH:129][C@@H:68](O)[C@:56]3([H])[C@@:38]4([CH3:17])[CH2:34][CH2:25][C@@H:76](O)[C@:38]5([CH3:29])[CH3:22]', '35 39 C:5 10.85 -14.93 C:10 10.85 -13.52 C:1 9.62 -12.81 C:2 8.39 -13.52 C:3 8.39 -14.93 C:4 9.62 -15.64 C:6 12.07 -15.64 C:7 13.31 -14.93 C:8 13.31 -13.52 C:9 12.07 -12.81 C:14 14.52 -12.81 C:13 14.52 -11.38 C:12 13.31 -10.67 C:11 12.07 -11.38 C:15 15.76 -13.52 C:16 17.00 -12.81 C:17 17.00 -11.38 C:18 15.76 -10.67 C:22 18.25 -10.67 C:21 18.25 -9.25 C:20 17.00 -8.53 C:19 15.76 -9.25 C:24 8.69 -16.83 C:23 10.44 -16.81 C:28 17.00 -9.96 C:25 10.85 -12.10 C:26 13.31 -12.10 C:27 14.52 -14.21 C:29 14.52 -8.53 C:30 16.99 -7.11 H 15.76 -11.89 H 10.85 -16.04 H 12.07 -13.83 O 7.18 -15.63 O 10.86 -10.68 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 2 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 6 23 -1 6 24 -2 17 25 -1 2 26 -1 9 27 -1 11 28 -2 22 29 -1 21 30 -2 18 31 -1 1 32 -2 10 33 -2 5 34 -2 14 35 -2', '35 39 C 10.85 -14.93 C 10.85 -13.52 C 9.62 -12.81 C 8.39 -13.52 C 8.39 -14.93 C 9.62 -15.64 C 12.07 -15.64 C 13.31 -14.93 C 13.31 -13.52 C 12.07 -12.81 C 14.52 -12.81 C 14.52 -11.38 C 13.31 -10.67 C 12.07 -11.38 C 15.76 -13.52 C 17.00 -12.81 C 17.00 -11.38 C 15.76 -10.67 C 18.25 -10.67 C 18.25 -9.25 C 17.00 -8.53 C 15.76 -9.25 C 8.69 -16.83 C 10.44 -16.81 C 17.00 -9.96 C 10.85 -12.10 C 13.31 -12.10 C 14.52 -14.21 C 14.52 -8.53 C 16.99 -7.11 H 15.76 -11.89 H 10.85 -16.04 H 12.07 -13.83 O 7.18 -15.63 O 10.86 -10.68 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 2 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 6 23 -1 6 24 -2 17 25 -1 2 26 -1 9 27 -1 11 28 -2 22 29 -1 21 30 -2 18 31 -1 1 32 -2 10 33 -2 5 34 -2 14 35 -2', '35 39 C:49 10.85 -14.93 C:38 10.85 -13.52 C:34 9.62 -12.81 C:25 8.39 -13.52 C:76 8.39 -14.93 C:38 9.62 -15.64 C:18 12.07 -15.64 C:35 13.31 -14.93 C:44 13.31 -13.52 C:56 12.07 -12.81 C:42 14.52 -12.81 C:143 14.52 -11.38 C:129 13.31 -10.67 C:68 12.07 -11.38 C:28 15.76 -13.52 C:28 17.00 -12.81 C:34 17.00 -11.38 C:58 15.76 -10.67 C:41 18.25 -10.67 C:31 18.25 -9.25 C:39 17.00 -8.53 C:39 15.76 -9.25 C:22 8.69 -16.83 C:29 10.44 -16.81 C:29 17.00 -9.96 C:17 10.85 -12.10 C:18 13.31 -12.10 C:23 14.52 -14.21 C:18 14.52 -8.53 C:21 16.99 -7.11 H 15.76 -11.89 H 10.85 -16.04 H 12.07 -13.83 O 7.18 -15.63 O 10.86 -10.68 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 2 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 6 23 -1 6 24 -2 17 25 -1 2 26 -1 9 27 -1 11 28 -2 22 29 -1 21 30 -2 18 31 -1 1 32 -2 10 33 -2 5 34 -2 14 35 -2', 'C30H50O2', 442.344, 'C', 'M-212', 2292, '', '', '3', 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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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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(3652, 'Taraxasterol', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([CH3:29])[C:20](=[CH2:30])[CH2:21][CH2:22][C@:17]1([CH3:28])[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])(CC[C@]2([H])[C@@]1([H])[C@H](C)C(=C)CC[C@]1(C)CC[C@]23C)[C@@]4(C)CC[C@H](O)[C@]5(C)C', '[H][C@@:55]45[CH2:18][CH2:34][C@:41]3([CH3:16])[C@:51]([H])([CH2:21][CH2:26][C@:39]2([H])[C@@:49]1([H])[C@H:39]([CH3:26])[C:155](=[CH2:107])[CH2:26][CH2:39][C@:35]1([CH3:20])[CH2:38][CH2:27][C@:42]23[CH3:15])[C@@:37]4([CH3:17])[CH2:39][CH2:27][C@H:79](O)[C@:39]5([CH3:28])[CH3:15]', '35 39 C:5 13.72 -11.02 C:10 13.72 -9.61 C:1 12.49 -8.90 C:2 11.25 -9.61 C:3 11.25 -11.02 C:4 12.49 -11.73 C:6 14.94 -11.73 C:7 16.18 -11.02 C:8 16.18 -9.61 C:9 14.94 -8.90 C:14 17.39 -8.90 C:13 17.39 -7.47 C:12 16.18 -6.76 C:11 14.94 -7.47 C:15 18.63 -9.61 C:16 19.87 -8.90 C:17 19.87 -7.47 C:18 18.63 -6.76 C:22 21.12 -6.76 C:21 21.12 -5.34 C:20 19.87 -4.61 C:19 18.63 -5.34 C:24 11.56 -12.92 C:23 13.31 -12.90 C:28 19.87 -6.05 C:25 13.72 -8.19 C:26 16.18 -8.19 C:27 17.39 -10.30 C:29 17.39 -4.61 C:30 19.87 -3.19 H 18.63 -7.98 H 13.72 -12.13 H 14.94 -9.92 H 17.39 -6.09 O 10.04 -11.71 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 6 23 -1 6 24 -2 17 25 -1 2 26 -1 9 27 -1 11 28 -2 22 29 -2 21 30 2 18 31 -2 1 32 -2 10 33 -2 12 34 -1 5 35 -1', '35 39 C 13.72 -11.02 C 13.72 -9.61 C 12.49 -8.90 C 11.25 -9.61 C 11.25 -11.02 C 12.49 -11.73 C 14.94 -11.73 C 16.18 -11.02 C 16.18 -9.61 C 14.94 -8.90 C 17.39 -8.90 C 17.39 -7.47 C 16.18 -6.76 C 14.94 -7.47 C 18.63 -9.61 C 19.87 -8.90 C 19.87 -7.47 C 18.63 -6.76 C 21.12 -6.76 C 21.12 -5.34 C 19.87 -4.61 C 18.63 -5.34 C 11.56 -12.92 C 13.31 -12.90 C 19.87 -6.05 C 13.72 -8.19 C 16.18 -8.19 C 17.39 -10.30 C 17.39 -4.61 C 19.87 -3.19 H 18.63 -7.98 H 13.72 -12.13 H 14.94 -9.92 H 17.39 -6.09 O 10.04 -11.71 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 6 23 -1 6 24 -2 17 25 -1 2 26 -1 9 27 -1 11 28 -2 22 29 -2 21 30 2 18 31 -2 1 32 -2 10 33 -2 12 34 -1 5 35 -1', '35 39 C:55 13.72 -11.02 C:37 13.72 -9.61 C:39 12.49 -8.90 C:27 11.25 -9.61 C:79 11.25 -11.02 C:39 12.49 -11.73 C:18 14.94 -11.73 C:34 16.18 -11.02 C:41 16.18 -9.61 C:51 14.94 -8.90 C:42 17.39 -8.90 C:39 17.39 -7.47 C:26 16.18 -6.76 C:21 14.94 -7.47 C:27 18.63 -9.61 C:38 19.87 -8.90 C:35 19.87 -7.47 C:49 18.63 -6.76 C:39 21.12 -6.76 C:26 21.12 -5.34 C:155 19.87 -4.61 C:39 18.63 -5.34 C:15 11.56 -12.92 C:28 13.31 -12.90 C:20 19.87 -6.05 C:17 13.72 -8.19 C:16 16.18 -8.19 C:15 17.39 -10.30 C:26 17.39 -4.61 C:107 19.87 -3.19 H 18.63 -7.98 H 13.72 -12.13 H 14.94 -9.92 H 17.39 -6.09 O 10.04 -11.71 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 1 9 10 1 2 10 1 1 7 1 11 12 1 12 13 1 13 14 1 10 14 1 9 11 1 15 16 1 16 17 1 17 18 1 12 18 1 11 15 1 19 20 1 20 21 1 21 22 1 18 22 1 17 19 1 6 23 -1 6 24 -2 17 25 -1 2 26 -1 9 27 -1 11 28 -2 22 29 -2 21 30 2 18 31 -2 1 32 -2 10 33 -2 12 34 -1 5 35 -1', 'C30H50O', 426.352, 'C', 'M-256', 1878, '', '', '3', 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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