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
(18169, '', '24-Methylenecycloartanyl acetate', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(=C)C(C)C)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C)[C@@H](OC(C)=O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:36]([CH3:18])[CH2:35][CH2:31][C:157](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[CH2:27][CH2:33][C@@:49]5([CH3:25])[C@:48]2([H])[CH2:28][CH2:21][C@@:47]1([H])[C@:40]([CH3:15])([CH3:19])[C@@H:81](O[C:171]([CH3:21])=O)[CH2:27][CH2:32][C@@:26]13[CH2:30][C@@:20]23[CH2:26][CH2:36][C@:45]45[CH3:18]', '38 42 H 19.36 -10.55 H 14.47 -14.78 H 16.93 -11.11 C:24001 24.20 -7.44 C:3002 8.36 -14.36 C:27 24.27 -11.20 C:26 26.13 -9.53 C:21 19.03 -7.24 C:29 12.29 -15.61 C:28 14.05 -15.57 C:18 18.21 -8.67 C:30 18.21 -12.91 O 9.57 -12.26 C:23 22.34 -9.07 C:22 21.39 -7.99 C:2 11.99 -12.21 C:16 20.38 -10.81 C:1 13.23 -11.52 C:6 15.72 -14.36 C:7 16.93 -13.66 C:15 19.51 -11.94 C:12 16.93 -9.37 C:11 15.72 -10.10 C:19 14.47 -10.81 O 10.78 -14.36 C:3001 9.57 -13.66 C:24 23.75 -8.77 C:25 24.70 -9.82 C:20 19.97 -8.31 C:3 11.99 -13.66 C:17 19.51 -9.65 C:4 13.23 -14.36 C:5 14.47 -13.66 C:8 16.93 -12.21 C:13 18.18 -10.10 C:14 18.18 -11.52 C:10 14.47 -12.21 C:9 15.72 -11.52 31 1 -2 33 2 -2 34 3 -1 4 27 2 5 26 1 6 28 1 7 28 1 29 8 -2 32 9 -1 32 10 -2 35 11 -1 36 12 -2 13 26 2 14 15 1 14 27 1 15 29 1 16 18 1 16 30 1 17 21 1 17 31 1 18 37 1 19 20 1 19 33 1 20 34 1 21 36 1 22 23 1 22 35 1 23 38 1 37 24 -1 38 24 -1 25 26 1 30 25 -1 27 28 1 29 31 1 30 32 1 31 35 1 32 33 1 33 37 1 34 36 1 34 38 1 35 36 1 37 38 1', '38 42 H 19.36 -10.55 H 14.47 -14.78 H 16.93 -11.11 C 24.20 -7.44 C 8.36 -14.36 C 24.27 -11.20 C 26.13 -9.53 C 19.03 -7.24 C 12.29 -15.61 C 14.05 -15.57 C 18.21 -8.67 C 18.21 -12.91 O 9.57 -12.26 C 22.34 -9.07 C 21.39 -7.99 C 11.99 -12.21 C 20.38 -10.81 C 13.23 -11.52 C 15.72 -14.36 C 16.93 -13.66 C 19.51 -11.94 C 16.93 -9.37 C 15.72 -10.10 C 14.47 -10.81 O 10.78 -14.36 C 9.57 -13.66 C 23.75 -8.77 C 24.70 -9.82 C 19.97 -8.31 C 11.99 -13.66 C 19.51 -9.65 C 13.23 -14.36 C 14.47 -13.66 C 16.93 -12.21 C 18.18 -10.10 C 18.18 -11.52 C 14.47 -12.21 C 15.72 -11.52 31 1 -2 33 2 -2 34 3 -1 4 27 2 5 26 1 6 28 1 7 28 1 29 8 -2 32 9 -1 32 10 -2 35 11 -1 36 12 -2 13 26 2 14 15 1 14 27 1 15 29 1 16 18 1 16 30 1 17 21 1 17 31 1 18 37 1 19 20 1 19 33 1 20 34 1 21 36 1 22 23 1 22 35 1 23 38 1 37 24 -1 38 24 -1 25 26 1 30 25 -1 27 28 1 29 31 1 30 32 1 31 35 1 32 33 1 33 37 1 34 36 1 34 38 1 35 36 1 37 38 1', '38 42 H 19.36 -10.55 H 14.47 -14.78 H 16.93 -11.11 C:106 24.20 -7.44 C:21 8.36 -14.36 C:22 24.27 -11.20 C:22 26.13 -9.53 C:18 19.03 -7.24 C:15 12.29 -15.61 C:19 14.05 -15.57 C:18 18.21 -8.67 C:25 18.21 -12.91 O 9.57 -12.26 C:31 22.34 -9.07 C:35 21.39 -7.99 C:27 11.99 -12.21 C:27 20.38 -10.81 C:32 13.23 -11.52 C:21 15.72 -14.36 C:28 16.93 -13.66 C:33 19.51 -11.94 C:36 16.93 -9.37 C:26 15.72 -10.10 C:30 14.47 -10.81 O 10.78 -14.36 C:171 9.57 -13.66 C:157 23.75 -8.77 C:34 24.70 -9.82 C:36 19.97 -8.31 C:81 11.99 -13.66 C:52 19.51 -9.65 C:40 13.23 -14.36 C:47 14.47 -13.66 C:48 16.93 -12.21 C:45 18.18 -10.10 C:49 18.18 -11.52 C:26 14.47 -12.21 C:20 15.72 -11.52 31 1 -2 33 2 -2 34 3 -1 4 27 2 5 26 1 6 28 1 7 28 1 29 8 -2 32 9 -1 32 10 -2 35 11 -1 36 12 -2 13 26 2 14 15 1 14 27 1 15 29 1 16 18 1 16 30 1 17 21 1 17 31 1 18 37 1 19 20 1 19 33 1 20 34 1 21 36 1 22 23 1 22 35 1 23 38 1 37 24 -1 38 24 -1 25 26 1 30 25 -1 27 28 1 29 31 1 30 32 1 31 35 1 32 33 1 33 37 1 34 36 1 34 38 1 35 36 1 37 38 1', 'C33H54O2', 482.376, 'C', 'ph26_1767_2', 4566, '', '', '1', 55, NULL, NULL),
(18170, '', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(=C)C(C)C)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C)[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:36]([CH3:18])[CH2:35][CH2:31][C:157](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[CH2:27][CH2:33][C@@:49]5([CH3:26])[C@:48]2([H])[CH2:28][CH2:21][C@@:47]1([H])[C@:41]([CH3:14])([CH3:19])[C@@H:79](O)[CH2:30][CH2:32][C@@:26]13[CH2:30][C@@:20]23[CH2:26][CH2:36][C@:45]45[CH3:18]', '35 39 H 18.13 -10.55 H 13.24 -14.78 H 15.70 -11.11 C:24001 22.96 -7.44 C:27 23.03 -11.20 C:26 24.89 -9.53 C:21 17.80 -7.24 C:29 11.06 -15.61 C:28 12.82 -15.57 C:18 16.98 -8.67 C:30 16.98 -12.91 O 9.55 -14.37 C:23 21.11 -9.07 C:22 20.16 -7.99 C:2 10.76 -12.21 C:16 19.15 -10.81 C:6 14.49 -14.37 C:7 15.70 -13.68 C:1 12.00 -11.52 C:15 18.28 -11.94 C:12 15.70 -9.37 C:11 14.49 -10.10 C:19 13.24 -10.81 C:24 22.51 -8.77 C:25 23.46 -9.82 C:20 18.74 -8.31 C:3 10.76 -13.68 C:17 18.28 -9.65 C:5 13.24 -13.68 C:8 15.70 -12.21 C:4 12.00 -14.37 C:13 16.95 -10.10 C:14 16.95 -11.52 C:10 13.24 -12.21 C:9 14.49 -11.52 28 1 -2 29 2 -2 30 3 -1 4 24 2 5 25 1 6 25 1 26 7 -2 31 8 -1 31 9 -2 32 10 -1 33 11 -2 27 12 -1 13 14 1 13 24 1 14 26 1 15 19 1 15 27 1 16 20 1 16 28 1 17 18 1 17 29 1 18 30 1 19 34 1 20 33 1 21 22 1 21 32 1 22 35 1 34 23 -1 35 23 -1 24 25 1 26 28 1 27 31 1 28 32 1 29 31 1 29 34 1 30 33 1 30 35 1 32 33 1 34 35 1', '35 39 H 18.13 -10.55 H 13.24 -14.78 H 15.70 -11.11 C 22.96 -7.44 C 23.03 -11.20 C 24.89 -9.53 C 17.80 -7.24 C 11.06 -15.61 C 12.82 -15.57 C 16.98 -8.67 C 16.98 -12.91 O 9.55 -14.37 C 21.11 -9.07 C 20.16 -7.99 C 10.76 -12.21 C 19.15 -10.81 C 14.49 -14.37 C 15.70 -13.68 C 12.00 -11.52 C 18.28 -11.94 C 15.70 -9.37 C 14.49 -10.10 C 13.24 -10.81 C 22.51 -8.77 C 23.46 -9.82 C 18.74 -8.31 C 10.76 -13.68 C 18.28 -9.65 C 13.24 -13.68 C 15.70 -12.21 C 12.00 -14.37 C 16.95 -10.10 C 16.95 -11.52 C 13.24 -12.21 C 14.49 -11.52 28 1 -2 29 2 -2 30 3 -1 4 24 2 5 25 1 6 25 1 26 7 -2 31 8 -1 31 9 -2 32 10 -1 33 11 -2 27 12 -1 13 14 1 13 24 1 14 26 1 15 19 1 15 27 1 16 20 1 16 28 1 17 18 1 17 29 1 18 30 1 19 34 1 20 33 1 21 22 1 21 32 1 22 35 1 34 23 -1 35 23 -1 24 25 1 26 28 1 27 31 1 28 32 1 29 31 1 29 34 1 30 33 1 30 35 1 32 33 1 34 35 1', '35 39 H 18.13 -10.55 H 13.24 -14.78 H 15.70 -11.11 C:106 22.96 -7.44 C:22 23.03 -11.20 C:22 24.89 -9.53 C:18 17.80 -7.24 C:14 11.06 -15.61 C:19 12.82 -15.57 C:18 16.98 -8.67 C:26 16.98 -12.91 O 9.55 -14.37 C:31 21.11 -9.07 C:35 20.16 -7.99 C:30 10.76 -12.21 C:27 19.15 -10.81 C:21 14.49 -14.37 C:28 15.70 -13.68 C:32 12.00 -11.52 C:33 18.28 -11.94 C:36 15.70 -9.37 C:26 14.49 -10.10 C:30 13.24 -10.81 C:157 22.51 -8.77 C:34 23.46 -9.82 C:36 18.74 -8.31 C:79 10.76 -13.68 C:52 18.28 -9.65 C:47 13.24 -13.68 C:48 15.70 -12.21 C:41 12.00 -14.37 C:45 16.95 -10.10 C:49 16.95 -11.52 C:26 13.24 -12.21 C:20 14.49 -11.52 28 1 -2 29 2 -2 30 3 -1 4 24 2 5 25 1 6 25 1 26 7 -2 31 8 -1 31 9 -2 32 10 -1 33 11 -2 27 12 -1 13 14 1 13 24 1 14 26 1 15 19 1 15 27 1 16 20 1 16 28 1 17 18 1 17 29 1 18 30 1 19 34 1 20 33 1 21 22 1 21 32 1 22 35 1 34 23 -1 35 23 -1 24 25 1 26 28 1 27 31 1 28 32 1 29 31 1 29 34 1 30 33 1 30 35 1 32 33 1 34 35 1', 'C31H52O', 440.355, 'C', 'ph26_1767_2a', 4566, '', '', '1', 55, 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
(18182, '', '3β-acetoxycycloart-24,25-diol', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24](O)[C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@@](C)(C)[C@@H](OC(C)=O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:36]([CH3:18])[CH2:33][CH2:28][C@@H:80](O)[C:73]([CH3:27])([CH3:23])O)[CH2:27][CH2:33][C@@:49]5([CH3:25])[C@:48]2([H])[CH2:28][CH2:21][C@@:47]1([H])[C@@:39]([CH3:19])([CH3:15])[C@@H:81](O[C:171]([CH3:21])=O)[CH2:27][CH2:32][C@@:26]13[CH2:30][C@@:20]23[CH2:26][CH2:36][C@:45]45[CH3:18]', '39 43 H 19.36 -10.55 H 14.47 -14.78 H 16.93 -11.11 C:3002 8.36 -14.36 C:21 19.03 -7.24 C:27 24.27 -11.20 C:26 26.13 -9.53 C:28 14.05 -15.57 C:29 12.29 -15.61 C:18 18.21 -8.67 C:30 18.21 -12.91 O 9.57 -12.26 O 24.20 -7.45 O 25.64 -10.86 C:22 21.39 -7.99 C:23 22.34 -9.07 C:2 11.99 -12.21 C:1 13.23 -11.52 C:16 20.38 -10.81 C:6 15.72 -14.36 C:7 16.93 -13.66 C:15 19.51 -11.94 C:12 16.93 -9.37 C:11 15.72 -10.10 C:19 14.47 -10.81 O 10.78 -14.36 C:3001 9.57 -13.66 C:20 19.97 -8.31 C:24 23.75 -8.77 C:3 11.99 -13.66 C:25 24.70 -9.82 C:4 13.23 -14.36 C:17 19.51 -9.65 C:5 14.47 -13.66 C:8 16.93 -12.21 C:13 18.18 -10.10 C:14 18.18 -11.52 C:10 14.47 -12.21 C:9 15.72 -11.52 33 1 -2 34 2 -2 35 3 -1 4 27 1 28 5 -2 6 31 1 7 31 1 32 8 -2 32 9 -1 36 10 -1 37 11 -2 12 27 2 29 13 -1 14 31 1 15 16 1 15 28 1 16 29 1 17 18 1 17 30 1 18 38 1 19 22 1 19 33 1 20 21 1 20 34 1 21 35 1 22 37 1 23 24 1 23 36 1 24 39 1 38 25 -1 39 25 -1 26 27 1 30 26 -1 28 33 1 29 31 1 30 32 1 32 34 1 33 36 1 34 38 1 35 37 1 35 39 1 36 37 1 38 39 1', '39 43 H 19.36 -10.55 H 14.47 -14.78 H 16.93 -11.11 C 8.36 -14.36 C 19.03 -7.24 C 24.27 -11.20 C 26.13 -9.53 C 14.05 -15.57 C 12.29 -15.61 C 18.21 -8.67 C 18.21 -12.91 O 9.57 -12.26 O 24.20 -7.45 O 25.64 -10.86 C 21.39 -7.99 C 22.34 -9.07 C 11.99 -12.21 C 13.23 -11.52 C 20.38 -10.81 C 15.72 -14.36 C 16.93 -13.66 C 19.51 -11.94 C 16.93 -9.37 C 15.72 -10.10 C 14.47 -10.81 O 10.78 -14.36 C 9.57 -13.66 C 19.97 -8.31 C 23.75 -8.77 C 11.99 -13.66 C 24.70 -9.82 C 13.23 -14.36 C 19.51 -9.65 C 14.47 -13.66 C 16.93 -12.21 C 18.18 -10.10 C 18.18 -11.52 C 14.47 -12.21 C 15.72 -11.52 33 1 -2 34 2 -2 35 3 -1 4 27 1 28 5 -2 6 31 1 7 31 1 32 8 -2 32 9 -1 36 10 -1 37 11 -2 12 27 2 29 13 -1 14 31 1 15 16 1 15 28 1 16 29 1 17 18 1 17 30 1 18 38 1 19 22 1 19 33 1 20 21 1 20 34 1 21 35 1 22 37 1 23 24 1 23 36 1 24 39 1 38 25 -1 39 25 -1 26 27 1 30 26 -1 28 33 1 29 31 1 30 32 1 32 34 1 33 36 1 34 38 1 35 37 1 35 39 1 36 37 1 38 39 1', '39 43 H 19.36 -10.55 H 14.47 -14.78 H 16.93 -11.11 C:21 8.36 -14.36 C:18 19.03 -7.24 C:27 24.27 -11.20 C:23 26.13 -9.53 C:19 14.05 -15.57 C:15 12.29 -15.61 C:18 18.21 -8.67 C:25 18.21 -12.91 O 9.57 -12.26 O 24.20 -7.45 O 25.64 -10.86 C:33 21.39 -7.99 C:28 22.34 -9.07 C:27 11.99 -12.21 C:32 13.23 -11.52 C:27 20.38 -10.81 C:21 15.72 -14.36 C:28 16.93 -13.66 C:33 19.51 -11.94 C:36 16.93 -9.37 C:26 15.72 -10.10 C:30 14.47 -10.81 O 10.78 -14.36 C:171 9.57 -13.66 C:36 19.97 -8.31 C:80 23.75 -8.77 C:81 11.99 -13.66 C:73 24.70 -9.82 C:39 13.23 -14.36 C:52 19.51 -9.65 C:47 14.47 -13.66 C:48 16.93 -12.21 C:45 18.18 -10.10 C:49 18.18 -11.52 C:26 14.47 -12.21 C:20 15.72 -11.52 33 1 -2 34 2 -2 35 3 -1 4 27 1 28 5 -2 6 31 1 7 31 1 32 8 -2 32 9 -1 36 10 -1 37 11 -2 12 27 2 29 13 -1 14 31 1 15 16 1 15 28 1 16 29 1 17 18 1 17 30 1 18 38 1 19 22 1 19 33 1 20 21 1 20 34 1 21 35 1 22 37 1 23 24 1 23 36 1 24 39 1 38 25 -1 39 25 -1 26 27 1 30 26 -1 28 33 1 29 31 1 30 32 1 32 34 1 33 36 1 34 38 1 35 37 1 35 39 1 36 37 1 38 39 1', 'C32H54O4', 502.364, 'C', 'ph26_1767_7b', 4566, '', '', '1', 55, NULL, NULL),
(18183, '', '25,26,27-Trisnor-3β-acetoxy-24-dimethoxycicloartane', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24](O[CH3:24001])O[CH3:24002])[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(OC)OC)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C)[C@@H](OC(C)=O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:36]([CH3:18])[CH2:31][CH2:29][CH:105](O[CH3:52])O[CH3:53])[CH2:27][CH2:33][C@@:49]5([CH3:25])[C@:48]2([H])[CH2:28][CH2:21][C@@:47]1([H])[C@:40]([CH3:15])([CH3:19])[C@@H:81](O[C:171]([CH3:21])=O)[CH2:27][CH2:32][C@@:26]13[CH2:30][C@@:20]23[CH2:26][CH2:36][C@:45]45[CH3:18]', '38 42 H 19.65 -10.59 H 14.74 -14.82 H 17.21 -11.15 C:24001 24.57 -11.18 C:24002 25.90 -7.21 C:3002 8.61 -14.40 C:21 19.32 -7.27 C:29 12.56 -15.66 C:28 14.31 -15.62 C:18 18.49 -8.70 C:30 18.49 -12.96 O 9.83 -12.31 C:22 21.68 -8.02 C:23 22.64 -9.10 C:2 12.26 -12.26 C:16 20.67 -10.85 C:6 16.00 -14.40 C:7 17.21 -13.70 C:1 13.49 -11.57 C:15 19.80 -11.99 C:12 17.21 -9.41 C:11 16.00 -10.14 C:19 14.74 -10.85 O 25.00 -9.85 O 24.53 -7.48 O 11.05 -14.40 C:3001 9.83 -13.70 C:20 20.26 -8.34 C:24 24.06 -8.80 C:3 12.26 -13.70 C:4 13.49 -14.40 C:17 19.80 -9.69 C:5 14.74 -13.70 C:8 17.21 -12.26 C:13 18.46 -10.14 C:14 18.46 -11.57 C:10 14.74 -12.26 C:9 16.00 -11.57 32 1 -2 33 2 -2 34 3 -1 4 24 1 5 25 1 6 27 1 28 7 -2 31 8 -1 31 9 -2 35 10 -1 36 11 -2 12 27 2 13 14 1 13 28 1 14 29 1 15 19 1 15 30 1 16 20 1 16 32 1 17 18 1 17 33 1 18 34 1 19 37 1 20 36 1 21 22 1 21 35 1 22 38 1 37 23 -1 38 23 -1 24 29 1 25 29 1 26 27 1 30 26 -1 28 32 1 30 31 1 31 33 1 32 35 1 33 37 1 34 36 1 34 38 1 35 36 1 37 38 1', '38 42 H 19.65 -10.59 H 14.74 -14.82 H 17.21 -11.15 C 24.57 -11.18 C 25.90 -7.21 C 8.61 -14.40 C 19.32 -7.27 C 12.56 -15.66 C 14.31 -15.62 C 18.49 -8.70 C 18.49 -12.96 O 9.83 -12.31 C 21.68 -8.02 C 22.64 -9.10 C 12.26 -12.26 C 20.67 -10.85 C 16.00 -14.40 C 17.21 -13.70 C 13.49 -11.57 C 19.80 -11.99 C 17.21 -9.41 C 16.00 -10.14 C 14.74 -10.85 O 25.00 -9.85 O 24.53 -7.48 O 11.05 -14.40 C 9.83 -13.70 C 20.26 -8.34 C 24.06 -8.80 C 12.26 -13.70 C 13.49 -14.40 C 19.80 -9.69 C 14.74 -13.70 C 17.21 -12.26 C 18.46 -10.14 C 18.46 -11.57 C 14.74 -12.26 C 16.00 -11.57 32 1 -2 33 2 -2 34 3 -1 4 24 1 5 25 1 6 27 1 28 7 -2 31 8 -1 31 9 -2 35 10 -1 36 11 -2 12 27 2 13 14 1 13 28 1 14 29 1 15 19 1 15 30 1 16 20 1 16 32 1 17 18 1 17 33 1 18 34 1 19 37 1 20 36 1 21 22 1 21 35 1 22 38 1 37 23 -1 38 23 -1 24 29 1 25 29 1 26 27 1 30 26 -1 28 32 1 30 31 1 31 33 1 32 35 1 33 37 1 34 36 1 34 38 1 35 36 1 37 38 1', '38 42 H 19.65 -10.59 H 14.74 -14.82 H 17.21 -11.15 C:52 24.57 -11.18 C:53 25.90 -7.21 C:21 8.61 -14.40 C:18 19.32 -7.27 C:15 12.56 -15.66 C:19 14.31 -15.62 C:18 18.49 -8.70 C:25 18.49 -12.96 O 9.83 -12.31 C:31 21.68 -8.02 C:29 22.64 -9.10 C:27 12.26 -12.26 C:27 20.67 -10.85 C:21 16.00 -14.40 C:28 17.21 -13.70 C:32 13.49 -11.57 C:33 19.80 -11.99 C:36 17.21 -9.41 C:26 16.00 -10.14 C:30 14.74 -10.85 O 25.00 -9.85 O 24.53 -7.48 O 11.05 -14.40 C:171 9.83 -13.70 C:36 20.26 -8.34 C:105 24.06 -8.80 C:81 12.26 -13.70 C:40 13.49 -14.40 C:52 19.80 -9.69 C:47 14.74 -13.70 C:48 17.21 -12.26 C:45 18.46 -10.14 C:49 18.46 -11.57 C:26 14.74 -12.26 C:20 16.00 -11.57 32 1 -2 33 2 -2 34 3 -1 4 24 1 5 25 1 6 27 1 28 7 -2 31 8 -1 31 9 -2 35 10 -1 36 11 -2 12 27 2 13 14 1 13 28 1 14 29 1 15 19 1 15 30 1 16 20 1 16 32 1 17 18 1 17 33 1 18 34 1 19 37 1 20 36 1 21 22 1 21 35 1 22 38 1 37 23 -1 38 23 -1 24 29 1 25 29 1 26 27 1 30 26 -1 28 32 1 30 31 1 31 33 1 32 35 1 33 37 1 34 36 1 34 38 1 35 36 1 37 38 1', 'C31H52O4', 488.353, 'C', 'ph26_1767_8', 4566, '', '', '1', 55, NULL, NULL),
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(18194, 'Isofaurinone', '', 'Terpenoids', 'Sesquiterpenoids', 'Cyperanes', '[CH3:15][C:4](=O)[C@:5]12[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:7]([CH:11]([CH3:13])[CH3:12])[CH2:6]2', 'CC(=O)[C@]12CCC[C@]1(C)CC[C@@H](C(C)C)C2', '[CH3:28][C:212](=O)[C@:60]12[CH2:35][CH2:18][CH2:35][C@:43]1([CH3:25])[CH2:35][CH2:25][C@@H:39]([CH:32]([CH3:20])[CH3:20])[CH2:33]2', '16 17 C:15 17.39 -13.86 C:13 14.97 -13.86 C:12 13.75 -11.76 C:14 18.60 -8.96 O 19.82 -13.86 C:2 20.77 -11.06 C:8 16.18 -10.36 C:1 19.94 -9.93 C:3 19.94 -12.18 C:9 17.39 -9.66 C:6 17.39 -12.45 C:4 18.60 -13.16 C:11 14.97 -12.45 C:7 16.18 -11.76 C:10 18.60 -10.36 C:5 18.60 -11.76 1 12 1 2 13 1 3 13 1 15 4 -2 5 12 2 6 8 1 6 9 1 7 10 1 7 14 1 8 15 1 9 16 1 10 15 1 11 14 1 11 16 1 16 12 -1 14 13 -2 15 16 1', '16 17 C 17.39 -13.86 C 14.97 -13.86 C 13.75 -11.76 C 18.60 -8.96 O 19.82 -13.86 C 20.77 -11.06 C 16.18 -10.36 C 19.94 -9.93 C 19.94 -12.18 C 17.39 -9.66 C 17.39 -12.45 C 18.60 -13.16 C 14.97 -12.45 C 16.18 -11.76 C 18.60 -10.36 C 18.60 -11.76 1 12 1 2 13 1 3 13 1 15 4 -2 5 12 2 6 8 1 6 9 1 7 10 1 7 14 1 8 15 1 9 16 1 10 15 1 11 14 1 11 16 1 16 12 -1 14 13 -2 15 16 1', '16 17 C:28 17.39 -13.86 C:20 14.97 -13.86 C:20 13.75 -11.76 C:25 18.60 -8.96 O 19.82 -13.86 C:18 20.77 -11.06 C:25 16.18 -10.36 C:35 19.94 -9.93 C:35 19.94 -12.18 C:35 17.39 -9.66 C:33 17.39 -12.45 C:212 18.60 -13.16 C:32 14.97 -12.45 C:39 16.18 -11.76 C:43 18.60 -10.36 C:60 18.60 -11.76 1 12 1 2 13 1 3 13 1 15 4 -2 5 12 2 6 8 1 6 9 1 7 10 1 7 14 1 8 15 1 9 16 1 10 15 1 11 14 1 11 16 1 16 12 -1 14 13 -2 15 16 1', 'C15H26O', 222.16, 'C', 'cpb06_222_1', 4568, '', '', '1', 55, NULL, NULL),
(18195, 'Jasomontanone', '[(3aR*,6R*,8aR*)-3a-(hydroxylmethyl)-6-(2-hydroxypropan-2-yl)-8a-methyloctahydrazul-en-4(5H)-one', 'Terpenoids', 'Sesquiterpenoids', 'Jasonanes', '[CH3:12][C:11]([CH3:13])(O)[C@@H:4]2[CH2:5][CH2:6][C@@:7]1([CH3:15])[CH2:8][CH2:9][CH2:10][C@@:1]1([CH2:14]O)[C:2](=O)[CH2:3]2', 'CC(C)(O)[C@@H]2CC[C@@]1(C)CCC[C@@]1(CO)C(=O)C2', '[CH3:26][C:73]([CH3:28])(O)[C@@H:50]2[CH2:25][CH2:40][C@@:44]1([CH3:22])[CH2:46][CH2:22][CH2:32][C@@:66]1([CH2:67]O)[C:215](=O)[CH2:41]2', '18 19 C:12 20.77 -11.73 C:13 20.12 -14.08 C:15 14.96 -13.78 O 17.13 -9.07 O 14.80 -8.80 O 21.15 -13.02 C:9 13.35 -11.24 C:14 15.89 -9.68 C:5 17.55 -13.52 C:8 13.88 -12.55 C:10 14.39 -10.33 C:6 16.14 -13.52 C:3 18.10 -11.04 C:2 16.85 -10.44 C:4 18.41 -12.42 C:11 19.78 -12.72 C:7 15.27 -12.42 C:1 15.58 -11.04 1 16 1 2 16 1 17 3 -2 4 14 2 5 8 1 6 16 1 7 10 1 7 11 1 18 8 -2 9 12 1 9 15 1 10 17 1 11 18 1 12 17 1 13 14 1 13 15 1 14 18 1 15 16 -2 17 18 1', '18 19 C 20.77 -11.73 C 20.12 -14.08 C 14.96 -13.78 O 17.13 -9.07 O 14.80 -8.80 O 21.15 -13.02 C 13.35 -11.24 C 15.89 -9.68 C 17.55 -13.52 C 13.88 -12.55 C 14.39 -10.33 C 16.14 -13.52 C 18.10 -11.04 C 16.85 -10.44 C 18.41 -12.42 C 19.78 -12.72 C 15.27 -12.42 C 15.58 -11.04 1 16 1 2 16 1 17 3 -2 4 14 2 5 8 1 6 16 1 7 10 1 7 11 1 18 8 -2 9 12 1 9 15 1 10 17 1 11 18 1 12 17 1 13 14 1 13 15 1 14 18 1 15 16 -2 17 18 1', '18 19 C:26 20.77 -11.73 C:28 20.12 -14.08 C:22 14.96 -13.78 O 17.13 -9.07 O 14.80 -8.80 O 21.15 -13.02 C:22 13.35 -11.24 C:67 15.89 -9.68 C:25 17.55 -13.52 C:46 13.88 -12.55 C:32 14.39 -10.33 C:40 16.14 -13.52 C:41 18.10 -11.04 C:215 16.85 -10.44 C:50 18.41 -12.42 C:73 19.78 -12.72 C:44 15.27 -12.42 C:66 15.58 -11.04 1 16 1 2 16 1 17 3 -2 4 14 2 5 8 1 6 16 1 7 10 1 7 11 1 18 8 -2 9 12 1 9 15 1 10 17 1 11 18 1 12 17 1 13 14 1 13 15 1 14 18 1 15 16 -2 17 18 1', 'C15H26O3', 254.159, 'C', 'npc06_15_1', 4568, '', '', '1', 55, NULL, NULL),
(18196, 'Jasomontanone acetate', '', 'Terpenoids', 'Sesquiterpenoids', 'Jasonanes', '[CH3:14002][C:14001](=O)O[CH2:14][C@@:1]12[CH2:10][CH2:9][CH2:8][C@:7]1([CH3:15])[CH2:6][CH2:5][C@@H:4]([C:11]([CH3:12])([CH3:13])O)[CH2:3][C:2]2=O', 'CC(=O)OC[C@@]12CCC[C@]1(C)CC[C@@H](C(C)(C)O)CC2=O', '[CH3:21][C:171](=O)O[CH2:68][C@@:63]12[CH2:32][CH2:22][CH2:46][C@:44]1([CH3:23])[CH2:40][CH2:25][C@@H:50]([C:73]([CH3:26])([CH3:28])O)[CH2:40][C:212]2=O', '21 22 C:14002 13.93 -7.66 C:12 20.77 -12.85 C:13 20.12 -15.20 C:15 14.96 -14.90 O 16.33 -8.04 O 17.13 -10.19 O 21.15 -14.14 C:9 13.35 -12.36 C:5 17.55 -14.64 C:8 13.88 -13.67 C:10 14.39 -11.45 C:6 16.14 -14.64 C:14 15.89 -10.80 C:3 18.10 -12.16 O 14.80 -9.92 C:14001 15.02 -8.54 C:2 16.85 -11.56 C:4 18.41 -13.54 C:11 19.78 -13.84 C:7 15.27 -13.54 C:1 15.58 -12.16 1 16 1 2 19 1 3 19 1 20 4 -2 5 16 2 6 17 2 7 19 1 8 10 1 8 11 1 9 12 1 9 18 1 10 20 1 11 21 1 12 20 1 13 15 1 21 13 -2 14 17 1 14 18 1 15 16 1 17 21 1 18 19 -2 20 21 1', '21 22 C 13.93 -7.66 C 20.77 -12.85 C 20.12 -15.20 C 14.96 -14.90 O 16.33 -8.04 O 17.13 -10.19 O 21.15 -14.14 C 13.35 -12.36 C 17.55 -14.64 C 13.88 -13.67 C 14.39 -11.45 C 16.14 -14.64 C 15.89 -10.80 C 18.10 -12.16 O 14.80 -9.92 C 15.02 -8.54 C 16.85 -11.56 C 18.41 -13.54 C 19.78 -13.84 C 15.27 -13.54 C 15.58 -12.16 1 16 1 2 19 1 3 19 1 20 4 -2 5 16 2 6 17 2 7 19 1 8 10 1 8 11 1 9 12 1 9 18 1 10 20 1 11 21 1 12 20 1 13 15 1 21 13 -2 14 17 1 14 18 1 15 16 1 17 21 1 18 19 -2 20 21 1', '21 22 C:21 13.93 -7.66 C:26 20.77 -12.85 C:28 20.12 -15.20 C:23 14.96 -14.90 O 16.33 -8.04 O 17.13 -10.19 O 21.15 -14.14 C:22 13.35 -12.36 C:25 17.55 -14.64 C:46 13.88 -13.67 C:32 14.39 -11.45 C:40 16.14 -14.64 C:68 15.89 -10.80 C:40 18.10 -12.16 O 14.80 -9.92 C:171 15.02 -8.54 C:212 16.85 -11.56 C:50 18.41 -13.54 C:73 19.78 -13.84 C:44 15.27 -13.54 C:63 15.58 -12.16 1 16 1 2 19 1 3 19 1 20 4 -2 5 16 2 6 17 2 7 19 1 8 10 1 8 11 1 9 12 1 9 18 1 10 20 1 11 21 1 12 20 1 13 15 1 21 13 -2 14 17 1 14 18 1 15 16 1 17 21 1 18 19 -2 20 21 1', 'C17H28O4', 296.18, 'C', 'npc06_15_1', 4568, '', '', '1', 55, 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
(18197, '', '1,4-Dimethyl-8-isopropylidenespiro[4.5]dec-1-en-7-one', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[CH3:13][C:11]([CH3:12])=[C:8]1[CH2:9][CH2:10][C@:5]2([CH2:6][C:7]1=O)[C:1]([CH3:15])=[CH:2][CH2:3][C@H:4]2[CH3:14]', 'CC(C)=C1CC[C@]2(CC1=O)C(C)=CC[C@H]2C', '[CH3:23][C:144]([CH3:23])=[C:131]1[CH2:26][CH2:34][C@:53]2([CH2:46][C:204]1=O)[C:145]([CH3:13])=[CH:124][CH2:38][C@H:42]2[CH3:17]', '16 17 C:13 14.91 -14.33 C:12 13.70 -12.23 C:15 20.10 -12.76 C:14 17.66 -8.50 O 14.91 -10.14 C:2 20.77 -10.35 C:3 20.07 -9.14 C:9 17.34 -12.93 C:10 18.54 -12.23 C:6 17.34 -10.12 C:11 14.91 -12.93 C:1 19.82 -11.39 C:7 16.13 -10.83 C:8 16.13 -12.23 C:4 18.69 -9.43 C:5 18.54 -10.83 1 11 1 2 11 1 3 12 1 15 4 -2 5 13 2 6 7 1 6 12 2 7 15 1 8 9 1 8 14 1 16 9 -1 10 13 1 16 10 -2 11 14 2 12 16 1 13 14 1 15 16 1', '16 17 C 14.91 -14.33 C 13.70 -12.23 C 20.10 -12.76 C 17.66 -8.50 O 14.91 -10.14 C 20.77 -10.35 C 20.07 -9.14 C 17.34 -12.93 C 18.54 -12.23 C 17.34 -10.12 C 14.91 -12.93 C 19.82 -11.39 C 16.13 -10.83 C 16.13 -12.23 C 18.69 -9.43 C 18.54 -10.83 1 11 1 2 11 1 3 12 1 15 4 -2 5 13 2 6 7 1 6 12 2 7 15 1 8 9 1 8 14 1 16 9 -1 10 13 1 16 10 -2 11 14 2 12 16 1 13 14 1 15 16 1', '16 17 C:23 14.91 -14.33 C:23 13.70 -12.23 C:13 20.10 -12.76 C:17 17.66 -8.50 O 14.91 -10.14 C:124 20.77 -10.35 C:38 20.07 -9.14 C:26 17.34 -12.93 C:34 18.54 -12.23 C:46 17.34 -10.12 C:144 14.91 -12.93 C:145 19.82 -11.39 C:204 16.13 -10.83 C:131 16.13 -12.23 C:42 18.69 -9.43 C:53 18.54 -10.83 1 11 1 2 11 1 3 12 1 15 4 -2 5 13 2 6 7 1 6 12 2 7 15 1 8 9 1 8 14 1 16 9 -1 10 13 1 16 10 -2 11 14 2 12 16 1 13 14 1 15 16 1', 'C15H22O', 218.16, 'C', 'ol09_4782_2', 4569, '', '', '1', 55, NULL, NULL),
(18198, '', '1,5,5,11-Tetramethyltricyclo[6.2.1.04,11]undec-3-en-6-one', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@@:8]12[CH2:9][CH2:10][C@@:1]3([CH3:12])[CH2:2][CH:3]=[C:4]([C@:5]([CH3:14])([CH3:15])[C:6](=O)[CH2:7]1)[C@@:11]23[CH3:13]', '[H][C@@]12CC[C@@]3(C)CC=C([C@](C)(C)C(=O)C1)[C@@]23C', '[H][C@@:46]12[CH2:31][CH2:41][C@@:52]3([CH3:24])[CH2:46][CH:123]=[C:154]([C@:48]([CH3:27])([CH3:26])[C:217](=O)[CH2:41]1)[C@@:57]23[CH3:21]', '17 19 H 16.62 -9.28 C:14 19.79 -12.95 C:15 20.50 -11.73 C:12 13.98 -12.76 C:13 17.85 -11.02 O 20.30 -9.59 C:3 17.21 -13.60 C:2 15.79 -13.60 C:9 15.27 -9.86 C:10 14.43 -11.02 C:7 17.85 -9.59 C:6 19.08 -10.29 C:4 17.85 -12.44 C:5 19.08 -11.73 C:8 16.62 -10.29 C:1 15.27 -12.16 C:11 16.62 -11.73 15 1 -1 14 2 -2 14 3 -1 16 4 -1 17 5 -1 6 12 2 7 8 1 7 13 2 8 16 1 9 10 1 9 15 1 10 16 1 11 12 1 11 15 1 12 14 1 13 14 1 13 17 1 15 17 1 16 17 1', '17 19 H 16.62 -9.28 C 19.79 -12.95 C 20.50 -11.73 C 13.98 -12.76 C 17.85 -11.02 O 20.30 -9.59 C 17.21 -13.60 C 15.79 -13.60 C 15.27 -9.86 C 14.43 -11.02 C 17.85 -9.59 C 19.08 -10.29 C 17.85 -12.44 C 19.08 -11.73 C 16.62 -10.29 C 15.27 -12.16 C 16.62 -11.73 15 1 -1 14 2 -2 14 3 -1 16 4 -1 17 5 -1 6 12 2 7 8 1 7 13 2 8 16 1 9 10 1 9 15 1 10 16 1 11 12 1 11 15 1 12 14 1 13 14 1 13 17 1 15 17 1 16 17 1', '17 19 H 16.62 -9.28 C:27 19.79 -12.95 C:26 20.50 -11.73 C:24 13.98 -12.76 C:21 17.85 -11.02 O 20.30 -9.59 C:123 17.21 -13.60 C:46 15.79 -13.60 C:31 15.27 -9.86 C:41 14.43 -11.02 C:41 17.85 -9.59 C:217 19.08 -10.29 C:154 17.85 -12.44 C:48 19.08 -11.73 C:46 16.62 -10.29 C:52 15.27 -12.16 C:57 16.62 -11.73 15 1 -1 14 2 -2 14 3 -1 16 4 -1 17 5 -1 6 12 2 7 8 1 7 13 2 8 16 1 9 10 1 9 15 1 10 16 1 11 12 1 11 15 1 12 14 1 13 14 1 13 17 1 15 17 1 16 17 1', 'C15H22O', 218.168, 'C', 'ol09_4782_3', 4569, '', '', '1', 55, NULL, NULL),
(18199, '', '1,7-Dimethyl-4-isopropylidenebicyclo[5.3.0]dec-9-en-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Jasonanes', '[CH3:13][C:11]([CH3:12])=[C:4]2[CH2:5][CH2:6][C@:7]1([CH3:15])[CH2:8][CH:9]=[CH:10][C@:1]1([CH3:14])[CH2:2][C:3]2=O', 'CC(C)=C2CC[C@]1(C)CC=C[C@]1(C)CC2=O', '[CH3:22][C:138]([CH3:22])=[C:137]2[CH2:24][CH2:38][C@:46]1([CH3:24])[CH2:46][CH:127]=[CH:140][C@:50]1([CH3:23])[CH2:51][C:206]2=O', '16 17 C:13 20.29 -13.63 C:12 20.94 -11.28 C:14 16.06 -9.23 C:15 15.13 -13.33 O 19.36 -9.71 C:9 13.52 -10.79 C:10 14.56 -9.88 C:8 14.05 -12.10 C:5 17.72 -13.07 C:6 16.31 -13.07 C:2 17.02 -9.99 C:11 19.95 -12.27 C:3 18.27 -10.59 C:4 18.58 -11.97 C:1 15.75 -10.59 C:7 15.44 -11.97 1 12 1 2 12 1 15 3 -1 16 4 -1 5 13 2 6 7 2 6 8 1 7 15 1 8 16 1 9 10 1 9 14 1 10 16 1 11 13 1 11 15 1 12 14 2 13 14 1 15 16 1', '16 17 C 20.29 -13.63 C 20.94 -11.28 C 16.06 -9.23 C 15.13 -13.33 O 19.36 -9.71 C 13.52 -10.79 C 14.56 -9.88 C 14.05 -12.10 C 17.72 -13.07 C 16.31 -13.07 C 17.02 -9.99 C 19.95 -12.27 C 18.27 -10.59 C 18.58 -11.97 C 15.75 -10.59 C 15.44 -11.97 1 12 1 2 12 1 15 3 -1 16 4 -1 5 13 2 6 7 2 6 8 1 7 15 1 8 16 1 9 10 1 9 14 1 10 16 1 11 13 1 11 15 1 12 14 2 13 14 1 15 16 1', '16 17 C:22 20.29 -13.63 C:22 20.94 -11.28 C:23 16.06 -9.23 C:24 15.13 -13.33 O 19.36 -9.71 C:127 13.52 -10.79 C:140 14.56 -9.88 C:46 14.05 -12.10 C:24 17.72 -13.07 C:38 16.31 -13.07 C:51 17.02 -9.99 C:138 19.95 -12.27 C:206 18.27 -10.59 C:137 18.58 -11.97 C:50 15.75 -10.59 C:46 15.44 -11.97 1 12 1 2 12 1 15 3 -1 16 4 -1 5 13 2 6 7 2 6 8 1 7 15 1 8 16 1 9 10 1 9 14 1 10 16 1 11 13 1 11 15 1 12 14 2 13 14 1 15 16 1', 'C15H22O', 218.16, 'C', 'ol09_4782_4', 4569, '', '', '1', 55, NULL, NULL),
(18200, '', 'Rac-(3S,3aS,4R,5R,7aS)-methyl 3-hydroxy-5,7a-dimethyloctahydro-1H-indene-4-carboxylate', 'Terpenoids', 'Sesquiterpenoids', 'Isoiphionanes', '[H][C@@:5]12[C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:7]([CH3:12])[C@H:6]2[C:4](=O)O[CH3:4001]', '[H][C@@]12[C@@H](O)CC[C@]1(C)CC[C@@H](C)[C@H]2C(=O)OC', '[H][C@@:53]12[C@@H:80](O)[CH2:32][CH2:37][C@:40]1([CH3:29])[CH2:32][CH2:27][C@@H:30]([CH3:16])[C@H:47]2[C:176](=O)O[CH3:52]', '17 18 H 18.03 -11.73 C:4001 15.51 -14.93 C:12 14.26 -11.31 C:14 18.03 -7.89 O 18.03 -13.51 O 19.82 -12.48 C:8 15.51 -9.29 C:2 20.23 -10.00 C:9 16.78 -8.60 C:1 19.39 -8.87 O 15.51 -13.54 C:4 16.78 -12.83 C:7 15.51 -10.68 C:3 19.39 -11.15 C:6 16.78 -11.43 C:10 18.03 -9.29 C:5 18.03 -10.68 17 1 -2 2 11 1 13 3 -2 16 4 -2 5 12 2 14 6 -2 7 9 1 7 13 1 8 10 1 8 14 1 9 16 1 10 16 1 11 12 1 15 12 -2 13 15 1 14 17 1 15 17 1 16 17 1', '17 18 H 18.03 -11.73 C 15.51 -14.93 C 14.26 -11.31 C 18.03 -7.89 O 18.03 -13.51 O 19.82 -12.48 C 15.51 -9.29 C 20.23 -10.00 C 16.78 -8.60 C 19.39 -8.87 O 15.51 -13.54 C 16.78 -12.83 C 15.51 -10.68 C 19.39 -11.15 C 16.78 -11.43 C 18.03 -9.29 C 18.03 -10.68 17 1 -2 2 11 1 13 3 -2 16 4 -2 5 12 2 14 6 -2 7 9 1 7 13 1 8 10 1 8 14 1 9 16 1 10 16 1 11 12 1 15 12 -2 13 15 1 14 17 1 15 17 1 16 17 1', '17 18 H 18.03 -11.73 C:52 15.51 -14.93 C:16 14.26 -11.31 C:29 18.03 -7.89 O 18.03 -13.51 O 19.82 -12.48 C:27 15.51 -9.29 C:32 20.23 -10.00 C:32 16.78 -8.60 C:37 19.39 -8.87 O 15.51 -13.54 C:176 16.78 -12.83 C:30 15.51 -10.68 C:80 19.39 -11.15 C:47 16.78 -11.43 C:40 18.03 -9.29 C:53 18.03 -10.68 17 1 -2 2 11 1 13 3 -2 16 4 -2 5 12 2 14 6 -2 7 9 1 7 13 1 8 10 1 8 14 1 9 16 1 10 16 1 11 12 1 15 12 -2 13 15 1 14 17 1 15 17 1 16 17 1', 'C13H22O3', 226.145, 'C', 'obc11_2433_27', 4570, '', '', '1', 55, NULL, NULL),
(18201, '', 'rac-(1S,3aS,4R,5S,7aR)-methyl 1-hydroxy-5-isopropyl-7amethyloctahydro-1H-indene-4-carboxylate', 'Terpenoids', 'Sesquiterpenoids', 'Isoiphionanes', '[H][C@@:5]12[CH2:3][CH2:2][C@H:1](O)[C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:7]([CH:11]([CH3:13])[CH3:12])[C@H:6]2[C:4](=O)O[CH3:4001]', '[H][C@@]12CC[C@H](O)[C@]1(C)CC[C@@H](C(C)C)[C@H]2C(=O)OC', '[H][C@@:45]12[CH2:21][CH2:29][C@H:83](O)[C@:41]1([CH3:23])[CH2:25][CH2:27][C@@H:41]([CH:29]([CH3:22])[CH3:21])[C@H:43]2[C:175](=O)O[CH3:51]', '19 20 H 18.64 -11.90 C:4001 16.12 -15.10 C:13 14.85 -12.88 C:12 13.70 -10.71 C:14 18.64 -8.06 O 18.64 -13.68 O 20.45 -7.71 C:2 20.84 -10.17 C:8 16.12 -9.46 C:3 20.00 -11.32 C:9 17.39 -8.77 O 16.12 -13.71 C:4 17.39 -13.00 C:11 14.85 -11.48 C:1 20.00 -9.04 C:7 16.12 -10.85 C:6 17.39 -11.60 C:5 18.64 -10.85 C:10 18.64 -9.46 18 1 -2 2 12 1 3 14 1 4 14 1 19 5 -2 6 13 2 15 7 -1 8 10 1 8 15 1 9 11 1 9 16 1 10 18 1 11 19 1 12 13 1 17 13 -2 16 14 -2 15 19 1 16 17 1 17 18 1 18 19 1', '19 20 H 18.64 -11.90 C 16.12 -15.10 C 14.85 -12.88 C 13.70 -10.71 C 18.64 -8.06 O 18.64 -13.68 O 20.45 -7.71 C 20.84 -10.17 C 16.12 -9.46 C 20.00 -11.32 C 17.39 -8.77 O 16.12 -13.71 C 17.39 -13.00 C 14.85 -11.48 C 20.00 -9.04 C 16.12 -10.85 C 17.39 -11.60 C 18.64 -10.85 C 18.64 -9.46 18 1 -2 2 12 1 3 14 1 4 14 1 19 5 -2 6 13 2 15 7 -1 8 10 1 8 15 1 9 11 1 9 16 1 10 18 1 11 19 1 12 13 1 17 13 -2 16 14 -2 15 19 1 16 17 1 17 18 1 18 19 1', '19 20 H 18.64 -11.90 C:51 16.12 -15.10 C:22 14.85 -12.88 C:21 13.70 -10.71 C:23 18.64 -8.06 O 18.64 -13.68 O 20.45 -7.71 C:29 20.84 -10.17 C:27 16.12 -9.46 C:21 20.00 -11.32 C:25 17.39 -8.77 O 16.12 -13.71 C:175 17.39 -13.00 C:29 14.85 -11.48 C:83 20.00 -9.04 C:41 16.12 -10.85 C:43 17.39 -11.60 C:45 18.64 -10.85 C:41 18.64 -9.46 18 1 -2 2 12 1 3 14 1 4 14 1 19 5 -2 6 13 2 15 7 -1 8 10 1 8 15 1 9 11 1 9 16 1 10 18 1 11 19 1 12 13 1 17 13 -2 16 14 -2 15 19 1 16 17 1 17 18 1 18 19 1', 'C15H26O3', 254.167, 'C', 'obc11_2433_44', 4570, '', '', '1', 55, NULL, NULL),
(18202, '', 'rac-(3aS,4R,5S,7aR)-methyl 5-isopropyl-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylate', 'Terpenoids', 'Sesquiterpenoids', 'Isoiphionanes', '[H][C@@:5]12[CH2:3][CH2:2][C:1](=O)[C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:7]([CH:11]([CH3:13])[CH3:12])[C@H:6]2[C:4](=O)O[CH3:4001]', '[H][C@@]12CCC(=O)[C@]1(C)CC[C@@H](C(C)C)[C@H]2C(=O)OC', '[H][C@@:45]12[CH2:24][CH2:35][C:222](=O)[C@:47]1([CH3:20])[CH2:22][CH2:29][C@@H:41]([CH:29]([CH3:22])[CH3:21])[C@H:44]2[C:175](=O)O[CH3:51]', '19 20 H 18.64 -11.90 C:4001 16.12 -15.10 C:13 14.85 -12.88 C:12 13.70 -10.71 C:14 18.64 -8.06 O 20.45 -7.71 O 18.64 -13.68 C:2 20.84 -10.17 C:8 16.12 -9.46 C:3 20.00 -11.32 C:9 17.39 -8.77 O 16.12 -13.71 C:1 20.00 -9.04 C:4 17.39 -13.00 C:11 14.85 -11.48 C:7 16.12 -10.85 C:6 17.39 -11.60 C:5 18.64 -10.85 C:10 18.64 -9.46 18 1 -2 2 12 1 3 15 1 4 15 1 19 5 -2 6 13 2 7 14 2 8 10 1 8 13 1 9 11 1 9 16 1 10 18 1 11 19 1 12 14 1 13 19 1 17 14 -2 16 15 -2 16 17 1 17 18 1 18 19 1', '19 20 H 18.64 -11.90 C 16.12 -15.10 C 14.85 -12.88 C 13.70 -10.71 C 18.64 -8.06 O 20.45 -7.71 O 18.64 -13.68 C 20.84 -10.17 C 16.12 -9.46 C 20.00 -11.32 C 17.39 -8.77 O 16.12 -13.71 C 20.00 -9.04 C 17.39 -13.00 C 14.85 -11.48 C 16.12 -10.85 C 17.39 -11.60 C 18.64 -10.85 C 18.64 -9.46 18 1 -2 2 12 1 3 15 1 4 15 1 19 5 -2 6 13 2 7 14 2 8 10 1 8 13 1 9 11 1 9 16 1 10 18 1 11 19 1 12 14 1 13 19 1 17 14 -2 16 15 -2 16 17 1 17 18 1 18 19 1', '19 20 H 18.64 -11.90 C:51 16.12 -15.10 C:22 14.85 -12.88 C:21 13.70 -10.71 C:20 18.64 -8.06 O 20.45 -7.71 O 18.64 -13.68 C:35 20.84 -10.17 C:29 16.12 -9.46 C:24 20.00 -11.32 C:22 17.39 -8.77 O 16.12 -13.71 C:222 20.00 -9.04 C:175 17.39 -13.00 C:29 14.85 -11.48 C:41 16.12 -10.85 C:44 17.39 -11.60 C:45 18.64 -10.85 C:47 18.64 -9.46 18 1 -2 2 12 1 3 15 1 4 15 1 19 5 -2 6 13 2 7 14 2 8 10 1 8 13 1 9 11 1 9 16 1 10 18 1 11 19 1 12 14 1 13 19 1 17 14 -2 16 15 -2 16 17 1 17 18 1 18 19 1', 'C15H24O3', 252.167, 'C', 'obc11_2433_45', 4570, '', '', '1', 55, NULL, NULL),
(18203, '', 'rac-(3S,3aS,4R,5S,7aS)-3-Hydroxy-5-isopropyl-7a-methyl-octahydro-1H-indene-4-carboxylic acid methyl ester', 'Terpenoids', 'Sesquiterpenoids', 'Isoiphionanes', '[H][C@@:5]12[C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:7]([CH:11]([CH3:12])[CH3:13])[C@H:6]2[C:4](=O)O[CH3:4001]', '[H][C@@]12[C@@H](O)CC[C@]1(C)CC[C@@H](C(C)C)[C@H]2C(=O)OC', '[H][C@@:57]12[C@@H:77](O)[CH2:31][CH2:39][C@:39]1([CH3:26])[CH2:35][CH2:23][C@@H:42]([CH:29]([CH3:21])[CH3:22])[C@H:41]2[C:176](=O)O[CH3:51]', '19 20 H 18.62 -11.77 C:4001 16.12 -14.97 C:12 13.68 -10.68 C:13 14.85 -12.82 C:14 18.62 -7.92 O 18.62 -13.57 O 20.41 -12.52 C:2 20.82 -10.04 C:8 16.12 -9.33 C:1 19.98 -8.90 C:9 17.40 -8.63 O 16.12 -13.57 C:4 17.40 -12.87 C:11 14.85 -11.42 C:3 19.98 -11.19 C:7 16.12 -10.75 C:6 17.40 -11.46 C:10 18.62 -9.33 C:5 18.62 -10.75 19 1 -2 2 12 1 3 14 1 4 14 1 18 5 -2 6 13 2 15 7 -2 8 10 1 8 15 1 9 11 1 9 16 1 10 18 1 11 18 1 12 13 1 17 13 -2 16 14 -2 15 19 1 16 17 1 17 19 1 18 19 1', '19 20 H 18.62 -11.77 C 16.12 -14.97 C 13.68 -10.68 C 14.85 -12.82 C 18.62 -7.92 O 18.62 -13.57 O 20.41 -12.52 C 20.82 -10.04 C 16.12 -9.33 C 19.98 -8.90 C 17.40 -8.63 O 16.12 -13.57 C 17.40 -12.87 C 14.85 -11.42 C 19.98 -11.19 C 16.12 -10.75 C 17.40 -11.46 C 18.62 -9.33 C 18.62 -10.75 19 1 -2 2 12 1 3 14 1 4 14 1 18 5 -2 6 13 2 15 7 -2 8 10 1 8 15 1 9 11 1 9 16 1 10 18 1 11 18 1 12 13 1 17 13 -2 16 14 -2 15 19 1 16 17 1 17 19 1 18 19 1', '19 20 H 18.62 -11.77 C:51 16.12 -14.97 C:21 13.68 -10.68 C:22 14.85 -12.82 C:26 18.62 -7.92 O 18.62 -13.57 O 20.41 -12.52 C:31 20.82 -10.04 C:23 16.12 -9.33 C:39 19.98 -8.90 C:35 17.40 -8.63 O 16.12 -13.57 C:176 17.40 -12.87 C:29 14.85 -11.42 C:77 19.98 -11.19 C:42 16.12 -10.75 C:41 17.40 -11.46 C:39 18.62 -9.33 C:57 18.62 -10.75 19 1 -2 2 12 1 3 14 1 4 14 1 18 5 -2 6 13 2 15 7 -2 8 10 1 8 15 1 9 11 1 9 16 1 10 18 1 11 18 1 12 13 1 17 13 -2 16 14 -2 15 19 1 16 17 1 17 19 1 18 19 1', 'C15H26O3', 254.167, 'C', 'ce08_6862_29', 4571, '', '', '1', 55, NULL, NULL),
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(18220, 'Mumurin C', '', 'Lignans', 'Neolignans', 'Benzofurans', '[CH3:3001]O[c:3]3[cH:2][c:1]([c:7]2o[c:104]1[c:105](O[CH3:105001])[cH:106][c:101]([CH2:107][CH2:108][CH2:109]O)[cH:102][c:103]1[c:8]2[CH:9]=O)[cH:6][c:5](O)[c:4]3O', 'COc3cc(c2oc1c(OC)cc(CCCO)cc1c2C=O)cc(O)c3O', '[CH3:57]O[c:150]3[cH:106][c:120]([c:168]2o[c:143]1[c:150](O[CH3:57])[cH:110][c:142]([CH2:34][CH2:36][CH2:62]O)[cH:114][c:129]1[c:118]2[CH:189]=O)[cH:112][c:147](O)[c:139]3O', '27 29 C:3001 13.05 -15.76 C:105001 18.73 -15.51 O 17.78 -8.52 O 23.57 -7.13 O 12.35 -9.71 O 10.94 -12.13 C:9 16.89 -9.60 C:6 14.46 -10.92 C:106 21.12 -12.72 C:2 14.46 -13.34 C:102 19.95 -10.62 C:109 23.57 -8.52 C:108 22.36 -9.24 C:107 22.36 -10.62 O 12.35 -14.55 O 19.95 -14.81 O 17.39 -13.19 C:5 13.05 -10.92 C:101 21.12 -11.31 C:4 12.35 -12.13 C:1 15.13 -12.07 C:3 13.05 -13.34 C:8 17.39 -10.92 C:105 19.95 -13.41 C:7 16.53 -12.07 C:103 18.73 -11.31 C:104 18.73 -12.72 1 15 1 2 16 1 3 7 2 4 12 1 5 18 1 6 20 1 7 23 1 8 18 1 8 21 2 9 19 1 9 24 2 10 21 1 10 22 2 11 19 2 11 26 1 12 13 1 13 14 1 14 19 1 15 22 1 16 24 1 17 25 1 17 27 1 18 20 2 20 22 1 21 25 1 23 25 2 23 26 1 24 27 1 26 27 2', '27 29 C 13.05 -15.76 C 18.73 -15.51 O 17.78 -8.52 O 23.57 -7.13 O 12.35 -9.71 O 10.94 -12.13 C 16.89 -9.60 C 14.46 -10.92 C 21.12 -12.72 C 14.46 -13.34 C 19.95 -10.62 C 23.57 -8.52 C 22.36 -9.24 C 22.36 -10.62 O 12.35 -14.55 O 19.95 -14.81 O 17.39 -13.19 C 13.05 -10.92 C 21.12 -11.31 C 12.35 -12.13 C 15.13 -12.07 C 13.05 -13.34 C 17.39 -10.92 C 19.95 -13.41 C 16.53 -12.07 C 18.73 -11.31 C 18.73 -12.72 1 15 1 2 16 1 3 7 2 4 12 1 5 18 1 6 20 1 7 23 1 8 18 1 8 21 2 9 19 1 9 24 2 10 21 1 10 22 2 11 19 2 11 26 1 12 13 1 13 14 1 14 19 1 15 22 1 16 24 1 17 25 1 17 27 1 18 20 2 20 22 1 21 25 1 23 25 2 23 26 1 24 27 1 26 27 2', '27 29 C:57 13.05 -15.76 C:57 18.73 -15.51 O 17.78 -8.52 O 23.57 -7.13 O 12.35 -9.71 O 10.94 -12.13 C:189 16.89 -9.60 C:112 14.46 -10.92 C:110 21.12 -12.72 C:106 14.46 -13.34 C:114 19.95 -10.62 C:62 23.57 -8.52 C:36 22.36 -9.24 C:34 22.36 -10.62 O 12.35 -14.55 O 19.95 -14.81 O 17.39 -13.19 C:147 13.05 -10.92 C:142 21.12 -11.31 C:139 12.35 -12.13 C:120 15.13 -12.07 C:150 13.05 -13.34 C:118 17.39 -10.92 C:150 19.95 -13.41 C:168 16.53 -12.07 C:129 18.73 -11.31 C:143 18.73 -12.72 1 15 1 2 16 1 3 7 2 4 12 1 5 18 1 6 20 1 7 23 1 8 18 1 8 21 2 9 19 1 9 24 2 10 21 1 10 22 2 11 19 2 11 26 1 12 13 1 13 14 1 14 19 1 15 22 1 16 24 1 17 25 1 17 27 1 18 20 2 20 22 1 21 25 1 23 25 2 23 26 1 24 27 1 26 27 2', 'C20H20O7', 372.21, '', 'ol08_5493_B', 4579, '', '', '1', 55, NULL, NULL),
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(18222, '', '5-Hydroxy-2,7-dimethylchromone', 'Chromans', 'Chromanones', '', '[CH3:7001][c:7]2[cH:6][c:5](O)[c:10]1[c:4](=O)[cH:3][c:2]([CH3:2001])o[c:9]1[cH:8]2', 'Cc2cc(O)c1c(=O)cc(C)oc1c2', '[CH3:22][c:147]2[cH:112][c:160](O)[c:108]1[c:183](=O)[cH:108][c:169]([CH3:20])o[c:156]1[cH:107]2', '14 15 C:7001 13.59 -9.30 C:2001 20.86 -9.30 O 18.44 -13.50 O 16.03 -13.50 C:6 14.80 -11.40 C:3 19.65 -11.40 C:8 16.03 -9.30 O 18.44 -9.30 C:7 14.80 -10.00 C:2 19.65 -10.00 C:5 16.03 -12.10 C:4 18.44 -12.10 C:9 17.23 -10.00 C:10 17.23 -11.40 1 9 1 2 10 1 3 12 2 4 11 1 5 9 1 5 11 2 6 10 2 6 12 1 7 9 2 7 13 1 8 10 1 8 13 1 11 14 1 12 14 1 13 14 2', '14 15 C 13.59 -9.30 C 20.86 -9.30 O 18.44 -13.50 O 16.03 -13.50 C 14.80 -11.40 C 19.65 -11.40 C 16.03 -9.30 O 18.44 -9.30 C 14.80 -10.00 C 19.65 -10.00 C 16.03 -12.10 C 18.44 -12.10 C 17.23 -10.00 C 17.23 -11.40 1 9 1 2 10 1 3 12 2 4 11 1 5 9 1 5 11 2 6 10 2 6 12 1 7 9 2 7 13 1 8 10 1 8 13 1 11 14 1 12 14 1 13 14 2', '14 15 C:22 13.59 -9.30 C:20 20.86 -9.30 O 18.44 -13.50 O 16.03 -13.50 C:112 14.80 -11.40 C:108 19.65 -11.40 C:107 16.03 -9.30 O 18.44 -9.30 C:147 14.80 -10.00 C:169 19.65 -10.00 C:160 16.03 -12.10 C:183 18.44 -12.10 C:156 17.23 -10.00 C:108 17.23 -11.40 1 9 1 2 10 1 3 12 2 4 11 1 5 9 1 5 11 2 6 10 2 6 12 1 7 9 2 7 13 1 8 10 1 8 13 1 11 14 1 12 14 1 13 14 2', 'C11H10O3', 190.116, 'D', 'np10_2064_1', 4581, '', '', '1', 55, NULL, NULL),
(18223, '', '7-Hydroxy-2,5-dimethylchromone', 'Chromans', 'Chromanones', '', '[CH3:2001][c:2]2[cH:3][c:4](=O)[c:10]1[c:5]([CH3:5001])[cH:6][c:7](O)[cH:8][c:9]1o2', 'Cc2cc(=O)c1c(C)cc(O)cc1o2', '[CH3:19][c:164]2[cH:117][c:178](=O)[c:114]1[c:141]([CH3:22])[cH:111][c:161](O)[cH:101][c:159]1o2', '14 15 C:2001 20.86 -9.30 C:5001 16.02 -13.50 O 18.44 -13.50 O 13.59 -9.30 C:6 14.80 -11.40 C:3 19.65 -11.40 C:8 16.02 -9.30 O 18.44 -9.30 C:2 19.65 -10.00 C:7 14.80 -10.00 C:5 16.02 -12.10 C:4 18.44 -12.10 C:9 17.23 -10.00 C:10 17.23 -11.40 1 9 1 2 11 1 3 12 2 4 10 1 5 10 1 5 11 2 6 9 2 6 12 1 7 10 2 7 13 1 8 9 1 8 13 1 11 14 1 12 14 1 13 14 2', '14 15 C 20.86 -9.30 C 16.02 -13.50 O 18.44 -13.50 O 13.59 -9.30 C 14.80 -11.40 C 19.65 -11.40 C 16.02 -9.30 O 18.44 -9.30 C 19.65 -10.00 C 14.80 -10.00 C 16.02 -12.10 C 18.44 -12.10 C 17.23 -10.00 C 17.23 -11.40 1 9 1 2 11 1 3 12 2 4 10 1 5 10 1 5 11 2 6 9 2 6 12 1 7 10 2 7 13 1 8 9 1 8 13 1 11 14 1 12 14 1 13 14 2', '14 15 C:19 20.86 -9.30 C:22 16.02 -13.50 O 18.44 -13.50 O 13.59 -9.30 C:111 14.80 -11.40 C:117 19.65 -11.40 C:101 16.02 -9.30 O 18.44 -9.30 C:164 19.65 -10.00 C:161 14.80 -10.00 C:141 16.02 -12.10 C:178 18.44 -12.10 C:159 17.23 -10.00 C:114 17.23 -11.40 1 9 1 2 11 1 3 12 2 4 10 1 5 10 1 5 11 2 6 9 2 6 12 1 7 10 2 7 13 1 8 9 1 8 13 1 11 14 1 12 14 1 13 14 2', 'C11H10O3', 190.116, 'D', 'np10_2064_10', 4581, '', '', '1', 55, 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
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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
(18249, 'Colocynthol B 2-O-b -D-Glucopyranoside', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]25[CH:1]=[C:2](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C:5]2=[CH:6][CH2:7][C@@:8]6([H])[C@:14]4([CH3:30])[CH2:15][C@H:16]3O[C@@H:23]([CH:24]=[C:25]([CH3:27])[CH2:26]O)[CH2:22][C@:20]([CH3:21])(O)[C@:17]3([H])[C@@:13]4([CH3:18])[CH2:12][C:11](=O)[C@@:9]56[CH3:19]', '[H][C@@]25C=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@](C)(C)C2=CC[C@@]6([H])[C@]4(C)C[C@H]3O[C@@H](C=C(C)CO)C[C@](C)(O)[C@]3([H])[C@@]4(C)CC(=O)[C@@]56C', '[H][C@@:36]25[CH:121]=[C:147](O[C@@H:101]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:75]1O)[C:197](=O)[C@@:50]([CH3:21])([CH3:27])[C:137]2=[CH:121][CH2:24][C@@:42]6([H])[C@:49]4([CH3:21])[CH2:42][C@H:71]3O[C@@H:72]([CH:126]=[C:138]([CH3:14])[CH2:68]O)[CH2:47][C@:72]([CH3:30])(O)[C@:56]3([H])[C@@:49]4([CH3:20])[CH2:49][C:214](=O)[C@@:50]56[CH3:20]', '50 55 H 14.13 -11.74 H 16.61 -11.74 H 19.20 -11.22 C:27 23.66 -12.21 C:29 12.14 -16.28 C:28 13.72 -16.28 C:21 19.82 -7.60 C:18 17.93 -9.26 C:30 17.93 -13.56 C:19 15.38 -13.56 O 14.13 -10.08 O 10.42 -15.00 O 26.44 -11.93 O 14.06 -8.63 O 8.01 -7.93 O 10.42 -6.56 O 8.01 -10.73 O 18.67 -8.20 C:6 15.38 -15.05 C:24 23.41 -9.80 C:1 12.90 -12.13 C:26 25.62 -10.79 C:106 12.85 -7.93 C:7 16.61 -14.30 C:12 16.61 -9.97 C:22 21.21 -8.84 C:15 19.25 -12.58 O 10.42 -12.13 O 21.48 -11.22 O 11.64 -10.03 C:25 24.23 -10.93 C:11 15.38 -10.73 C:3 11.64 -14.30 C:2 11.64 -12.85 C:5 14.13 -14.30 C:23 22.04 -9.97 C:103 9.22 -8.63 C:104 10.42 -7.93 C:102 9.22 -10.03 C:105 11.64 -8.63 C:16 20.11 -11.43 C:101 10.42 -10.73 C:4 12.90 -15.05 C:20 19.82 -9.00 C:10 14.13 -12.85 C:8 16.61 -12.85 C:13 17.93 -10.73 C:14 17.93 -12.13 C:17 19.25 -10.26 C:9 15.38 -12.13 45 1 -2 46 2 -1 49 3 -2 4 31 1 43 5 -1 43 6 -2 44 7 -2 47 8 -1 48 9 -2 50 10 -1 11 32 2 12 33 2 13 22 1 14 23 1 37 15 -1 38 16 -2 39 17 -2 44 18 -1 19 24 1 19 35 2 20 31 2 36 20 -2 21 34 2 21 45 1 22 31 1 40 23 -1 24 46 1 25 32 1 25 47 1 26 36 1 26 44 1 27 41 1 27 48 1 28 34 1 42 28 -1 29 36 1 41 29 -2 30 40 1 30 42 1 32 50 1 33 34 1 33 43 1 35 43 1 35 45 1 37 38 1 37 39 1 38 40 1 39 42 1 41 49 1 44 49 1 45 50 1 46 48 1 46 50 1 47 48 1 47 49 1', '50 55 H 14.13 -11.74 H 16.61 -11.74 H 19.20 -11.22 C 23.66 -12.21 C 12.14 -16.28 C 13.72 -16.28 C 19.82 -7.60 C 17.93 -9.26 C 17.93 -13.56 C 15.38 -13.56 O 14.13 -10.08 O 10.42 -15.00 O 26.44 -11.93 O 14.06 -8.63 O 8.01 -7.93 O 10.42 -6.56 O 8.01 -10.73 O 18.67 -8.20 C 15.38 -15.05 C 23.41 -9.80 C 12.90 -12.13 C 25.62 -10.79 C 12.85 -7.93 C 16.61 -14.30 C 16.61 -9.97 C 21.21 -8.84 C 19.25 -12.58 O 10.42 -12.13 O 21.48 -11.22 O 11.64 -10.03 C 24.23 -10.93 C 15.38 -10.73 C 11.64 -14.30 C 11.64 -12.85 C 14.13 -14.30 C 22.04 -9.97 C 9.22 -8.63 C 10.42 -7.93 C 9.22 -10.03 C 11.64 -8.63 C 20.11 -11.43 C 10.42 -10.73 C 12.90 -15.05 C 19.82 -9.00 C 14.13 -12.85 C 16.61 -12.85 C 17.93 -10.73 C 17.93 -12.13 C 19.25 -10.26 C 15.38 -12.13 45 1 -2 46 2 -1 49 3 -2 4 31 1 43 5 -1 43 6 -2 44 7 -2 47 8 -1 48 9 -2 50 10 -1 11 32 2 12 33 2 13 22 1 14 23 1 37 15 -1 38 16 -2 39 17 -2 44 18 -1 19 24 1 19 35 2 20 31 2 36 20 -2 21 34 2 21 45 1 22 31 1 40 23 -1 24 46 1 25 32 1 25 47 1 26 36 1 26 44 1 27 41 1 27 48 1 28 34 1 42 28 -1 29 36 1 41 29 -2 30 40 1 30 42 1 32 50 1 33 34 1 33 43 1 35 43 1 35 45 1 37 38 1 37 39 1 38 40 1 39 42 1 41 49 1 44 49 1 45 50 1 46 48 1 46 50 1 47 48 1 47 49 1', '50 55 H 14.13 -11.74 H 16.61 -11.74 H 19.20 -11.22 C:14 23.66 -12.21 C:21 12.14 -16.28 C:27 13.72 -16.28 C:30 19.82 -7.60 C:20 17.93 -9.26 C:21 17.93 -13.56 C:20 15.38 -13.56 O 14.13 -10.08 O 10.42 -15.00 O 26.44 -11.93 O 14.06 -8.63 O 8.01 -7.93 O 10.42 -6.56 O 8.01 -10.73 O 18.67 -8.20 C:121 15.38 -15.05 C:126 23.41 -9.80 C:121 12.90 -12.13 C:68 25.62 -10.79 C:62 12.85 -7.93 C:24 16.61 -14.30 C:49 16.61 -9.97 C:47 21.21 -8.84 C:42 19.25 -12.58 O 10.42 -12.13 O 21.48 -11.22 O 11.64 -10.03 C:138 24.23 -10.93 C:214 15.38 -10.73 C:197 11.64 -14.30 C:147 11.64 -12.85 C:137 14.13 -14.30 C:72 22.04 -9.97 C:79 9.22 -8.63 C:71 10.42 -7.93 C:75 9.22 -10.03 C:79 11.64 -8.63 C:71 20.11 -11.43 C:101 10.42 -10.73 C:50 12.90 -15.05 C:72 19.82 -9.00 C:36 14.13 -12.85 C:42 16.61 -12.85 C:49 17.93 -10.73 C:49 17.93 -12.13 C:56 19.25 -10.26 C:50 15.38 -12.13 45 1 -2 46 2 -1 49 3 -2 4 31 1 43 5 -1 43 6 -2 44 7 -2 47 8 -1 48 9 -2 50 10 -1 11 32 2 12 33 2 13 22 1 14 23 1 37 15 -1 38 16 -2 39 17 -2 44 18 -1 19 24 1 19 35 2 20 31 2 36 20 -2 21 34 2 21 45 1 22 31 1 40 23 -1 24 46 1 25 32 1 25 47 1 26 36 1 26 44 1 27 41 1 27 48 1 28 34 1 42 28 -1 29 36 1 41 29 -2 30 40 1 30 42 1 32 50 1 33 34 1 33 43 1 35 43 1 35 45 1 37 38 1 37 39 1 38 40 1 39 42 1 41 49 1 44 49 1 45 50 1 46 48 1 46 50 1 47 48 1 47 49 1', 'C36H52O11', 660.402, 'P', 'cpb07_428_2a', 4589, '', '', '1', 47, NULL, NULL),
(18250, 'Colocynthol B 2-O-b -D-Glucopyranoside', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]14[CH:1]=[C:2](O)[C:3](=O)[C@:4]([CH3:28])([CH3:29])[C:5]1=[CH:6][CH2:7][C@@:8]5([H])[C@:14]3([CH3:30])[CH2:15][C@H:16]2O[C@@H:23]([CH:24]=[C:25]([CH3:27])[CH2:26]O)[CH2:22][C@:20]([CH3:21])(O)[C@:17]2([H])[C@@:13]3([CH3:18])[CH2:12][C:11](=O)[C@@:9]45[CH3:19]', '[H][C@@]14C=C(O)C(=O)[C@](C)(C)C1=CC[C@@]5([H])[C@]3(C)C[C@H]2O[C@@H](C=C(C)CO)C[C@](C)(O)[C@]2([H])[C@@]3(C)CC(=O)[C@@]45C', '[H][C@@:36]14[CH:117]=[C:147](O)[C:200](=O)[C@:50]([CH3:28])([CH3:21])[C:139]1=[CH:122][CH2:25][C@@:43]5([H])[C@:49]3([CH3:21])[CH2:42][C@H:72]2O[C@@H:73]([CH:127]=[C:139]([CH3:14])[CH2:69]O)[CH2:47][C@:74]([CH3:30])(O)[C@:57]2([H])[C@@:49]3([CH3:20])[CH2:50][C:216](=O)[C@@:51]45[CH3:21]', '39 43 H 12.94 -11.23 H 15.42 -11.23 H 18.01 -10.71 C:27 22.47 -11.70 C:28 12.53 -15.76 C:29 10.96 -15.76 C:21 18.63 -7.09 C:30 16.74 -13.05 C:18 16.74 -8.75 C:19 14.19 -13.05 O 12.94 -9.57 O 9.24 -14.49 O 25.24 -11.42 O 9.24 -11.62 O 17.48 -7.69 C:6 14.19 -14.54 C:24 22.22 -9.29 C:1 11.71 -11.62 C:26 24.43 -10.28 C:7 15.42 -13.79 C:12 15.42 -9.46 C:22 20.02 -8.33 C:15 18.06 -12.07 O 20.29 -10.71 C:25 23.04 -10.42 C:2 10.46 -12.34 C:11 14.19 -10.22 C:3 10.46 -13.79 C:5 12.94 -13.79 C:23 20.85 -9.46 C:16 18.92 -10.92 C:4 11.71 -14.54 C:20 18.63 -8.49 C:10 12.94 -12.34 C:8 15.42 -12.34 C:14 16.74 -11.62 C:13 16.74 -10.22 C:17 18.06 -9.75 C:9 14.19 -11.62 34 1 -2 35 2 -1 38 3 -2 4 25 1 32 5 -2 32 6 -1 33 7 -2 36 8 -2 37 9 -1 39 10 -1 11 27 2 12 28 2 13 19 1 14 26 1 33 15 -1 16 20 1 16 29 2 17 25 2 30 17 -2 18 26 2 18 34 1 19 25 1 20 35 1 21 27 1 21 37 1 22 30 1 22 33 1 23 31 1 23 36 1 24 30 1 31 24 -2 26 28 1 27 39 1 28 32 1 29 32 1 29 34 1 31 38 1 33 38 1 34 39 1 35 36 1 35 39 1 36 37 1 37 38 1', '39 43 H 12.94 -11.23 H 15.42 -11.23 H 18.01 -10.71 C 22.47 -11.70 C 12.53 -15.76 C 10.96 -15.76 C 18.63 -7.09 C 16.74 -13.05 C 16.74 -8.75 C 14.19 -13.05 O 12.94 -9.57 O 9.24 -14.49 O 25.24 -11.42 O 9.24 -11.62 O 17.48 -7.69 C 14.19 -14.54 C 22.22 -9.29 C 11.71 -11.62 C 24.43 -10.28 C 15.42 -13.79 C 15.42 -9.46 C 20.02 -8.33 C 18.06 -12.07 O 20.29 -10.71 C 23.04 -10.42 C 10.46 -12.34 C 14.19 -10.22 C 10.46 -13.79 C 12.94 -13.79 C 20.85 -9.46 C 18.92 -10.92 C 11.71 -14.54 C 18.63 -8.49 C 12.94 -12.34 C 15.42 -12.34 C 16.74 -11.62 C 16.74 -10.22 C 18.06 -9.75 C 14.19 -11.62 34 1 -2 35 2 -1 38 3 -2 4 25 1 32 5 -2 32 6 -1 33 7 -2 36 8 -2 37 9 -1 39 10 -1 11 27 2 12 28 2 13 19 1 14 26 1 33 15 -1 16 20 1 16 29 2 17 25 2 30 17 -2 18 26 2 18 34 1 19 25 1 20 35 1 21 27 1 21 37 1 22 30 1 22 33 1 23 31 1 23 36 1 24 30 1 31 24 -2 26 28 1 27 39 1 28 32 1 29 32 1 29 34 1 31 38 1 33 38 1 34 39 1 35 36 1 35 39 1 36 37 1 37 38 1', '39 43 H 12.94 -11.23 H 15.42 -11.23 H 18.01 -10.71 C:14 22.47 -11.70 C:28 12.53 -15.76 C:21 10.96 -15.76 C:30 18.63 -7.09 C:21 16.74 -13.05 C:20 16.74 -8.75 C:21 14.19 -13.05 O 12.94 -9.57 O 9.24 -14.49 O 25.24 -11.42 O 9.24 -11.62 O 17.48 -7.69 C:122 14.19 -14.54 C:127 22.22 -9.29 C:117 11.71 -11.62 C:69 24.43 -10.28 C:25 15.42 -13.79 C:50 15.42 -9.46 C:47 20.02 -8.33 C:42 18.06 -12.07 O 20.29 -10.71 C:139 23.04 -10.42 C:147 10.46 -12.34 C:216 14.19 -10.22 C:200 10.46 -13.79 C:139 12.94 -13.79 C:73 20.85 -9.46 C:72 18.92 -10.92 C:50 11.71 -14.54 C:74 18.63 -8.49 C:36 12.94 -12.34 C:43 15.42 -12.34 C:49 16.74 -11.62 C:49 16.74 -10.22 C:57 18.06 -9.75 C:51 14.19 -11.62 34 1 -2 35 2 -1 38 3 -2 4 25 1 32 5 -2 32 6 -1 33 7 -2 36 8 -2 37 9 -1 39 10 -1 11 27 2 12 28 2 13 19 1 14 26 1 33 15 -1 16 20 1 16 29 2 17 25 2 30 17 -2 18 26 2 18 34 1 19 25 1 20 35 1 21 27 1 21 37 1 22 30 1 22 33 1 23 31 1 23 36 1 24 30 1 31 24 -2 26 28 1 27 39 1 28 32 1 29 32 1 29 34 1 31 38 1 33 38 1 34 39 1 35 36 1 35 39 1 36 37 1 37 38 1', 'C30H42O6', 498.341, 'P', 'cpb07_428_2b', 4589, '', '', '1', 47, NULL, NULL),
(18251, '11-Oxomogroside III', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]26[CH2:1][CH2:2][C@H:3](O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[C@@:4]([CH3:29])([CH3:28])[C:5]2=[CH:6][CH2:7][C@@:8]7([H])[C@:14]5([CH3:30])[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24](O[C@@H:101]4O[C@H:105]([CH2:106]O[C@@H:301]3O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]3O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C:25]([CH3:26])([CH3:27])O)[C@@:13]5([CH3:18])[CH2:12][C:11](=O)[C@@:9]67[CH3:19]', '[H][C@@]26CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@](C)(C)C2=CC[C@@]7([H])[C@]5(C)CC[C@]([H])([C@H](C)CC[C@@H](O[C@@H]4O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)O)[C@@]5(C)CC(=O)[C@@]67C', 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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
(18258, 'Kuguaglycoside E', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]15[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C:5]1=[CH:6][C@H:7](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[C@@:8]6([H])[C@:14]4([CH3:30])[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH:23]([CH:24]=[C:25]([CH3:26])[CH3:27])O[C@@H:201]3O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]3O)[C@@:13]4([CH3:18])[CH2:12][CH2:11][C@@:9]56[CH2:19]O', '[H][C@@]15CC[C@H](O)[C@](C)(C)C1=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]6([H])[C@]4(C)CC[C@]([H])([C@H](C)CC(C=C(C)C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]4(C)CC[C@@]56CO', '[H][C@@:39]15[CH2:21][CH2:30][C@H:76](O)[C@:42]([CH3:28])([CH3:26])[C:149]1=[CH:121][C@H:73](O[C@@H:101]2O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]2O)[C@@:39]6([H])[C@:48]4([CH3:18])[CH2:35][CH2:31][C@:52]([H])([C@H:33]([CH3:20])[CH2:44][CH:76]([CH:129]=[C:132]([CH3:26])[CH3:18])O[C@@H:105]3O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]3O)[C@@:46]4([CH3:15])[CH2:28][CH2:27][C@@:39]56[CH2:66]O', '59 64 H 13.23 -9.16 H 18.27 -8.45 H 15.73 -8.97 C:26 24.97 -7.36 C:27 23.11 -9.03 C:21 17.84 -5.06 C:28 12.83 -13.43 C:29 11.25 -13.47 C:18 17.02 -6.49 C:30 17.02 -10.78 O 18.22 -12.59 O 20.57 -15.70 O 13.29 -7.10 O 9.54 -12.22 O 24.25 -11.59 O 14.52 -16.39 O 22.28 -13.61 O 16.93 -17.80 O 23.75 -9.27 O 14.52 -13.63 C:24 22.59 -6.59 C:6 14.48 -12.25 C:206 19.58 -12.93 C:106 19.35 -16.39 C:19 13.29 -8.49 C:2 10.74 -10.07 C:1 12.00 -9.36 C:16 19.21 -8.66 C:15 18.32 -9.79 C:12 15.73 -7.19 C:11 14.48 -7.92 C:22 20.21 -5.82 O 20.75 -8.22 O 16.93 -12.22 O 20.17 -10.57 O 18.13 -14.32 C:25 23.55 -7.65 C:5 13.23 -11.52 C:20 18.81 -6.11 C:23 21.18 -6.89 C:3 10.74 -11.52 C:203 22.89 -11.25 C:103 15.73 -15.70 C:204 21.91 -12.25 C:104 16.93 -16.39 C:202 22.50 -9.90 C:102 15.73 -14.32 C:7 15.73 -11.52 C:205 20.57 -11.92 C:105 18.13 -15.70 C:201 21.14 -9.57 C:101 16.93 -13.63 C:4 12.00 -12.25 C:10 13.23 -10.07 C:17 18.32 -7.48 C:13 17.02 -7.92 C:14 17.02 -9.36 C:8 15.73 -10.07 C:9 14.48 -9.36 54 1 -2 55 2 -2 58 3 -1 4 37 1 5 37 1 39 6 -2 53 7 -2 53 8 -1 56 9 -1 57 10 -2 11 23 1 12 24 1 13 25 1 41 14 -1 42 15 -1 43 16 -2 44 17 -2 45 18 -1 46 19 -2 47 20 -1 21 37 2 21 40 1 22 38 2 22 48 1 49 23 -1 50 24 -2 59 25 -1 26 27 1 26 41 1 27 54 1 28 29 1 28 55 1 29 57 1 30 31 1 30 56 1 31 59 1 32 39 1 32 40 1 33 40 1 51 33 -1 48 34 -1 52 34 -2 35 49 1 35 51 1 36 50 1 36 52 1 38 53 1 38 54 1 39 55 1 41 53 1 42 44 1 42 46 1 43 45 1 43 47 1 44 49 1 45 50 1 46 51 1 47 52 1 48 58 1 54 59 1 55 56 1 56 57 1 57 58 1 58 59 1', '59 64 H 13.23 -9.16 H 18.27 -8.45 H 15.73 -8.97 C 24.97 -7.36 C 23.11 -9.03 C 17.84 -5.06 C 12.83 -13.43 C 11.25 -13.47 C 17.02 -6.49 C 17.02 -10.78 O 18.22 -12.59 O 20.57 -15.70 O 13.29 -7.10 O 9.54 -12.22 O 24.25 -11.59 O 14.52 -16.39 O 22.28 -13.61 O 16.93 -17.80 O 23.75 -9.27 O 14.52 -13.63 C 22.59 -6.59 C 14.48 -12.25 C 19.58 -12.93 C 19.35 -16.39 C 13.29 -8.49 C 10.74 -10.07 C 12.00 -9.36 C 19.21 -8.66 C 18.32 -9.79 C 15.73 -7.19 C 14.48 -7.92 C 20.21 -5.82 O 20.75 -8.22 O 16.93 -12.22 O 20.17 -10.57 O 18.13 -14.32 C 23.55 -7.65 C 13.23 -11.52 C 18.81 -6.11 C 21.18 -6.89 C 10.74 -11.52 C 22.89 -11.25 C 15.73 -15.70 C 21.91 -12.25 C 16.93 -16.39 C 22.50 -9.90 C 15.73 -14.32 C 15.73 -11.52 C 20.57 -11.92 C 18.13 -15.70 C 21.14 -9.57 C 16.93 -13.63 C 12.00 -12.25 C 13.23 -10.07 C 18.32 -7.48 C 17.02 -7.92 C 17.02 -9.36 C 15.73 -10.07 C 14.48 -9.36 54 1 -2 55 2 -2 58 3 -1 4 37 1 5 37 1 39 6 -2 53 7 -2 53 8 -1 56 9 -1 57 10 -2 11 23 1 12 24 1 13 25 1 41 14 -1 42 15 -1 43 16 -2 44 17 -2 45 18 -1 46 19 -2 47 20 -1 21 37 2 21 40 1 22 38 2 22 48 1 49 23 -1 50 24 -2 59 25 -1 26 27 1 26 41 1 27 54 1 28 29 1 28 55 1 29 57 1 30 31 1 30 56 1 31 59 1 32 39 1 32 40 1 33 40 1 51 33 -1 48 34 -1 52 34 -2 35 49 1 35 51 1 36 50 1 36 52 1 38 53 1 38 54 1 39 55 1 41 53 1 42 44 1 42 46 1 43 45 1 43 47 1 44 49 1 45 50 1 46 51 1 47 52 1 48 58 1 54 59 1 55 56 1 56 57 1 57 58 1 58 59 1', '59 64 H 13.23 -9.16 H 18.27 -8.45 H 15.73 -8.97 C:26 24.97 -7.36 C:18 23.11 -9.03 C:20 17.84 -5.06 C:28 12.83 -13.43 C:26 11.25 -13.47 C:15 17.02 -6.49 C:18 17.02 -10.78 O 18.22 -12.59 O 20.57 -15.70 O 13.29 -7.10 O 9.54 -12.22 O 24.25 -11.59 O 14.52 -16.39 O 22.28 -13.61 O 16.93 -17.80 O 23.75 -9.27 O 14.52 -13.63 C:129 22.59 -6.59 C:121 14.48 -12.25 C:63 19.58 -12.93 C:63 19.35 -16.39 C:66 13.29 -8.49 C:30 10.74 -10.07 C:21 12.00 -9.36 C:31 19.21 -8.66 C:35 18.32 -9.79 C:28 15.73 -7.19 C:27 14.48 -7.92 C:44 20.21 -5.82 O 20.75 -8.22 O 16.93 -12.22 O 20.17 -10.57 O 18.13 -14.32 C:132 23.55 -7.65 C:149 13.23 -11.52 C:33 18.81 -6.11 C:76 21.18 -6.89 C:76 10.74 -11.52 C:79 22.89 -11.25 C:79 15.73 -15.70 C:72 21.91 -12.25 C:72 16.93 -16.39 C:76 22.50 -9.90 C:75 15.73 -14.32 C:73 15.73 -11.52 C:79 20.57 -11.92 C:78 18.13 -15.70 C:105 21.14 -9.57 C:101 16.93 -13.63 C:42 12.00 -12.25 C:39 13.23 -10.07 C:52 18.32 -7.48 C:46 17.02 -7.92 C:48 17.02 -9.36 C:39 15.73 -10.07 C:39 14.48 -9.36 54 1 -2 55 2 -2 58 3 -1 4 37 1 5 37 1 39 6 -2 53 7 -2 53 8 -1 56 9 -1 57 10 -2 11 23 1 12 24 1 13 25 1 41 14 -1 42 15 -1 43 16 -2 44 17 -2 45 18 -1 46 19 -2 47 20 -1 21 37 2 21 40 1 22 38 2 22 48 1 49 23 -1 50 24 -2 59 25 -1 26 27 1 26 41 1 27 54 1 28 29 1 28 55 1 29 57 1 30 31 1 30 56 1 31 59 1 32 39 1 32 40 1 33 40 1 51 33 -1 48 34 -1 52 34 -2 35 49 1 35 51 1 36 50 1 36 52 1 38 53 1 38 54 1 39 55 1 41 53 1 42 44 1 42 46 1 43 45 1 43 47 1 44 49 1 45 50 1 46 51 1 47 52 1 48 58 1 54 59 1 55 56 1 56 57 1 57 58 1 58 59 1', 'C42H70O14', 798.465, 'P', 'hca08_920_5', 4591, '', '', '1', 47, NULL, NULL),
(18259, 'Kuguaglycoside F', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]23[CH2:1][CH2:2][C@H:3](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@@H:103](O)[C@H:102]1O)[C@:4]([CH3:28])([CH3:29])[C:5]2=[CH:6][C@H:7](O[CH3:7001])[C@:8]6([H])[C@@:9]3([CH3:19])[CH2:11][CH2:12][C@:13]5([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH:23]([CH:24]=[C:25]([CH3:27])[CH3:26])O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]4O)[CH2:16][CH2:15][C@:14]56[CH3:30]', '[H][C@@]23CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@](C)(C)C2=C[C@H](OC)[C@]6([H])[C@@]3(C)CC[C@]5(C)[C@@]([H])([C@H](C)CC(C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]56C', '[H][C@@:39]23[CH2:23][CH2:29][C@H:88](O[C@@H:105]1O[C@H:76]([CH2:63]O)[C@@H:69](O)[C@@H:73](O)[C@H:72]1O)[C@:42]([CH3:29])([CH3:26])[C:148]2=[CH:119][C@H:78](O[CH3:56])[C@:49]6([H])[C@@:34]3([CH3:29])[CH2:28][CH2:33][C@:46]5([CH3:16])[C@@:51]([H])([C@H:33]([CH3:20])[CH2:44][CH:76]([CH:129]=[C:132]([CH3:18])[CH3:26])O[C@@H:104]4O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]4O)[CH2:31][CH2:35][C@:48]56[CH3:18]', '59 64 H 15.61 -11.01 H 20.73 -10.48 H 18.12 -11.01 C:7001 19.27 -15.64 C:27 25.48 -11.07 C:26 27.32 -9.36 C:21 20.24 -7.08 C:28 15.25 -15.51 C:29 13.67 -15.51 C:19 16.86 -12.82 C:18 19.40 -8.51 C:30 19.40 -12.82 O 20.35 -14.51 O 10.75 -9.36 O 26.40 -13.95 O 7.13 -14.24 O 24.35 -15.80 O 7.13 -11.45 O 26.12 -11.71 O 9.57 -15.64 C:24 24.96 -8.60 C:6 16.86 -14.24 C:206 21.62 -14.93 C:106 9.57 -10.06 C:2 13.17 -12.16 C:1 14.42 -11.45 C:16 21.62 -10.70 C:15 20.73 -11.85 C:11 16.86 -9.98 C:12 18.12 -9.24 C:22 22.61 -7.85 O 19.27 -14.24 O 23.20 -10.33 O 22.43 -12.64 O 10.75 -12.16 O 11.97 -14.24 C:25 25.90 -9.71 C:5 15.61 -13.55 C:20 21.19 -8.14 C:23 23.55 -8.91 C:203 25.09 -13.55 C:103 8.33 -13.55 C:204 24.05 -14.44 C:104 8.33 -12.16 C:202 24.80 -12.16 C:102 9.57 -14.24 C:7 18.12 -13.55 C:205 22.72 -14.01 C:105 9.57 -11.45 C:201 23.47 -11.71 C:101 10.75 -13.55 C:3 13.17 -13.55 C:4 14.42 -14.24 C:10 15.61 -12.16 C:17 20.73 -9.54 C:9 16.86 -11.45 C:13 19.40 -9.98 C:14 19.40 -11.45 C:8 18.12 -12.16 54 1 -2 55 2 -2 59 3 -1 4 32 1 5 37 1 6 37 1 39 7 -2 53 8 -2 53 9 -1 56 10 -1 57 11 -1 58 12 -2 13 23 1 14 24 1 41 15 -1 42 16 -2 43 17 -2 44 18 -2 45 19 -2 46 20 -2 21 37 2 21 40 1 22 38 2 22 47 1 48 23 -1 49 24 -1 25 26 1 25 52 1 26 54 1 27 28 1 27 55 1 28 58 1 29 30 1 29 56 1 30 57 1 31 39 1 31 40 1 47 32 -1 33 40 1 50 33 -1 34 48 1 34 50 1 35 49 1 35 51 1 51 36 -1 52 36 -1 38 53 1 38 54 1 39 55 1 41 43 1 41 45 1 42 44 1 42 46 1 43 48 1 44 49 1 45 50 1 46 51 1 47 59 1 52 53 1 54 56 1 55 57 1 56 59 1 57 58 1 58 59 1', '59 64 H 15.61 -11.01 H 20.73 -10.48 H 18.12 -11.01 C 19.27 -15.64 C 25.48 -11.07 C 27.32 -9.36 C 20.24 -7.08 C 15.25 -15.51 C 13.67 -15.51 C 16.86 -12.82 C 19.40 -8.51 C 19.40 -12.82 O 20.35 -14.51 O 10.75 -9.36 O 26.40 -13.95 O 7.13 -14.24 O 24.35 -15.80 O 7.13 -11.45 O 26.12 -11.71 O 9.57 -15.64 C 24.96 -8.60 C 16.86 -14.24 C 21.62 -14.93 C 9.57 -10.06 C 13.17 -12.16 C 14.42 -11.45 C 21.62 -10.70 C 20.73 -11.85 C 16.86 -9.98 C 18.12 -9.24 C 22.61 -7.85 O 19.27 -14.24 O 23.20 -10.33 O 22.43 -12.64 O 10.75 -12.16 O 11.97 -14.24 C 25.90 -9.71 C 15.61 -13.55 C 21.19 -8.14 C 23.55 -8.91 C 25.09 -13.55 C 8.33 -13.55 C 24.05 -14.44 C 8.33 -12.16 C 24.80 -12.16 C 9.57 -14.24 C 18.12 -13.55 C 22.72 -14.01 C 9.57 -11.45 C 23.47 -11.71 C 10.75 -13.55 C 13.17 -13.55 C 14.42 -14.24 C 15.61 -12.16 C 20.73 -9.54 C 16.86 -11.45 C 19.40 -9.98 C 19.40 -11.45 C 18.12 -12.16 54 1 -2 55 2 -2 59 3 -1 4 32 1 5 37 1 6 37 1 39 7 -2 53 8 -2 53 9 -1 56 10 -1 57 11 -1 58 12 -2 13 23 1 14 24 1 41 15 -1 42 16 -2 43 17 -2 44 18 -2 45 19 -2 46 20 -2 21 37 2 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-8.14 C:76 23.55 -8.91 C:79 25.09 -13.55 C:73 8.33 -13.55 C:72 24.05 -14.44 C:69 8.33 -12.16 C:75 24.80 -12.16 C:72 9.57 -14.24 C:78 18.12 -13.55 C:78 22.72 -14.01 C:76 9.57 -11.45 C:104 23.47 -11.71 C:105 10.75 -13.55 C:88 13.17 -13.55 C:42 14.42 -14.24 C:39 15.61 -12.16 C:51 20.73 -9.54 C:34 16.86 -11.45 C:46 19.40 -9.98 C:48 19.40 -11.45 C:49 18.12 -12.16 54 1 -2 55 2 -2 59 3 -1 4 32 1 5 37 1 6 37 1 39 7 -2 53 8 -2 53 9 -1 56 10 -1 57 11 -1 58 12 -2 13 23 1 14 24 1 41 15 -1 42 16 -2 43 17 -2 44 18 -2 45 19 -2 46 20 -2 21 37 2 21 40 1 22 38 2 22 47 1 48 23 -1 49 24 -1 25 26 1 25 52 1 26 54 1 27 28 1 27 55 1 28 58 1 29 30 1 29 56 1 30 57 1 31 39 1 31 40 1 47 32 -1 33 40 1 50 33 -1 34 48 1 34 50 1 35 49 1 35 51 1 51 36 -1 52 36 -1 38 53 1 38 54 1 39 55 1 41 43 1 41 45 1 42 44 1 42 46 1 43 48 1 44 49 1 45 50 1 46 51 1 47 59 1 52 53 1 54 56 1 55 57 1 56 59 1 57 58 1 58 59 1', 'C43H72O13', 796.476, 'P', 'hca08_920_6', 4591, '', '', '1', 47, NULL, NULL),
(18260, 'Kuguaglycoside G', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]13[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C:5]1=[CH:6][C@H:7](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[C@:8]6([H])[C@@:9]3([CH3:19])[CH2:11][CH2:12][C@:13]5([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH:23]([CH:24]=[C:25]([CH3:27])[CH3:26])O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]4O)[CH2:16][CH2:15][C@:14]56[CH3:30]', '[H][C@@]13CC[C@H](O)[C@](C)(C)C1=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]6([H])[C@@]3(C)CC[C@]5(C)[C@@]([H])([C@H](C)CC(C=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]56C', 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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
(18265, 'Ginsenoside Re', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:17]6([C@:20]([CH3:21])([CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])O[C@@H:201]2O[C@H:205]([CH2:206]O[C@@H:301]1O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]1O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[CH2:16][CH2:15][C@@:14]7([CH3:30])[C@:8]5([CH3:18])[CH2:7][CH:6](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[C@@:5]4([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O)[CH2:2][CH2:1][C@:10]4([CH3:19])[C@@:9]5([H])[CH2:11][C@@H:12](O)[C@:13]67[H]', '[H][C@]6([C@](C)(CCC=C(C)C)O[C@@H]2O[C@H](CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]7(C)[C@]5(C)CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]4([H])[C@](C)(C)[C@@H](O)CC[C@]4(C)[C@@]5([H])C[C@@H](O)[C@]67[H]', 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C:22 21.12 -8.25 C:1 12.87 -11.76 C:16 20.11 -11.07 C:15 19.26 -12.19 C:11 15.40 -10.36 C:7 16.65 -13.99 O 14.11 -5.40 O 11.73 -5.90 O 16.60 -18.21 O 16.75 -6.27 O 15.40 -16.10 O 18.36 -8.10 C:25 24.35 -10.11 C:305 10.40 -5.46 C:3 11.62 -13.99 C:12 16.65 -9.63 C:304 10.12 -4.09 C:303 11.16 -3.16 C:103 19.04 -16.80 C:203 18.85 -4.42 C:104 19.04 -18.21 C:204 17.51 -3.99 C:302 12.49 -3.60 C:102 17.81 -16.10 C:202 19.11 -5.79 C:105 17.81 -18.91 C:205 16.47 -4.91 C:301 12.78 -4.97 C:101 16.60 -16.80 C:201 18.07 -6.71 C:6 15.40 -14.71 C:4 12.87 -14.71 C:20 19.70 -8.54 C:17 19.26 -9.93 C:9 15.40 -11.76 C:10 14.11 -12.51 C:14 17.92 -11.76 C:8 16.65 -12.51 C:13 17.92 -10.36 C:5 14.11 -13.99 64 1 -2 65 2 -2 69 3 -1 70 4 -2 5 43 1 6 43 1 44 7 -1 62 8 -1 62 9 -2 63 10 -2 66 11 -1 67 12 -2 68 13 -1 14 28 1 45 15 -1 46 16 -1 47 17 -2 48 18 -1 49 19 -1 50 20 -2 51 21 -2 52 22 -1 53 23 -1 54 24 -2 55 25 -1 26 27 1 26 43 2 27 31 1 56 28 -1 29 32 1 29 45 1 30 37 1 57 30 -2 31 63 1 32 66 1 33 34 1 33 64 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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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