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
(1846, 'Rubianol-c triacetate', '', 'Terpenoids', 'Triterpenoids', 'Arborinanes', '[H][C@@:5]45[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@:8]1([H])[C:9](=[CH:11][CH2:12][C@@:13]2([CH3:27])[C@@:14]1([CH3:26])[CH2:15][CH2:16][C@@:17]3([CH2:28]O[C:28001]([CH3:28002])=O)[C@H:21]([CH:22]([CH3:29])[CH3:30])[CH2:20][C@@H:19](O[C:19001]([CH3:19002])=O)[C@:18]23[H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45C[C@H](OC(C)=O)[C@]1([H])C(=CC[C@@]2(C)[C@@]1(C)CC[C@@]3(COC(C)=O)[C@H](C(C)C)C[C@@H](OC(C)=O)[C@]23[H])[C@@]4(C)CC[C@H](OC(C)=O)[C@@]5(C)C', '[H][C@@:48]45[CH2:28][C@H:74](O[C:171]([CH3:21])=O)[C@:45]1([H])[C:146](=[CH:118][CH2:36][C@@:38]2([CH3:16])[C@@:40]1([CH3:17])[CH2:32][CH2:33][C@@:46]3([CH2:65]O[C:171]([CH3:22])=O)[C@H:57]([CH:31]([CH3:23])[CH3:23])[CH2:40][C@@H:73](O[C:171]([CH3:22])=O)[C@:56]23[H])[C@@:39]4([CH3:22])[CH2:36][CH2:24][C@H:80](O[C:170]([CH3:21])=O)[C@@:38]5([CH3:17])[CH3:28]', '49 53 H 13.70 -14.87 H 16.17 -11.26 H 18.63 -10.73 C:28002 22.31 -14.54 C:3002 7.58 -14.67 C:19002 19.76 -5.58 C:7002 18.61 -16.74 C:29 22.72 -10.96 C:30 23.19 -8.60 C:24 11.60 -15.89 C:23 13.28 -15.82 C:25 13.70 -11.07 C:27 17.38 -8.96 C:26 17.38 -13.21 O 23.52 -12.44 O 8.78 -12.56 O 17.44 -4.85 O 16.18 -16.73 C:11 14.92 -10.34 C:12 16.17 -9.61 C:2 11.22 -12.50 C:1 12.45 -11.78 C:15 18.63 -12.50 C:16 19.89 -11.78 C:28 21.10 -11.04 C:20 20.34 -8.09 C:6 14.92 -14.66 O 21.10 -12.44 O 10.01 -14.65 O 17.98 -7.22 O 17.39 -14.64 C:28001 22.31 -13.14 C:3001 8.79 -13.96 C:19001 18.39 -5.88 C:7001 17.39 -16.04 C:9 14.92 -11.78 C:22 22.29 -9.64 C:3 11.22 -13.94 C:19 18.93 -8.25 C:7 16.17 -13.94 C:21 20.91 -9.37 C:4 12.45 -14.66 C:5 13.70 -13.94 C:10 13.70 -12.50 C:8 16.17 -12.50 C:13 17.38 -10.34 C:14 17.38 -11.78 C:18 18.63 -9.61 C:17 19.89 -10.34 43 1 -2 45 2 -1 48 3 -2 4 32 1 5 33 1 6 34 1 7 35 1 8 37 1 9 37 1 42 10 -1 42 11 -2 44 12 -1 46 13 -1 47 14 -2 15 32 2 16 33 2 17 34 2 18 35 2 19 20 1 19 36 2 20 46 1 21 22 1 21 38 1 22 44 1 23 24 1 23 47 1 24 49 1 25 28 1 49 25 -1 26 39 1 26 41 1 27 40 1 27 43 1 28 32 1 29 33 1 38 29 -1 30 34 1 39 30 -2 31 35 1 40 31 -1 36 44 1 36 45 1 41 37 -1 38 42 1 39 48 1 40 45 1 41 49 1 42 43 1 43 44 1 45 47 1 46 47 1 46 48 1 48 49 1', '49 53 H 13.70 -14.87 H 16.17 -11.26 H 18.63 -10.73 C 22.31 -14.54 C 7.58 -14.67 C 19.76 -5.58 C 18.61 -16.74 C 22.72 -10.96 C 23.19 -8.60 C 11.60 -15.89 C 13.28 -15.82 C 13.70 -11.07 C 17.38 -8.96 C 17.38 -13.21 O 23.52 -12.44 O 8.78 -12.56 O 17.44 -4.85 O 16.18 -16.73 C 14.92 -10.34 C 16.17 -9.61 C 11.22 -12.50 C 12.45 -11.78 C 18.63 -12.50 C 19.89 -11.78 C 21.10 -11.04 C 20.34 -8.09 C 14.92 -14.66 O 21.10 -12.44 O 10.01 -14.65 O 17.98 -7.22 O 17.39 -14.64 C 22.31 -13.14 C 8.79 -13.96 C 18.39 -5.88 C 17.39 -16.04 C 14.92 -11.78 C 22.29 -9.64 C 11.22 -13.94 C 18.93 -8.25 C 16.17 -13.94 C 20.91 -9.37 C 12.45 -14.66 C 13.70 -13.94 C 13.70 -12.50 C 16.17 -12.50 C 17.38 -10.34 C 17.38 -11.78 C 18.63 -9.61 C 19.89 -10.34 43 1 -2 45 2 -1 48 3 -2 4 32 1 5 33 1 6 34 1 7 35 1 8 37 1 9 37 1 42 10 -1 42 11 -2 44 12 -1 46 13 -1 47 14 -2 15 32 2 16 33 2 17 34 2 18 35 2 19 20 1 19 36 2 20 46 1 21 22 1 21 38 1 22 44 1 23 24 1 23 47 1 24 49 1 25 28 1 49 25 -1 26 39 1 26 41 1 27 40 1 27 43 1 28 32 1 29 33 1 38 29 -1 30 34 1 39 30 -2 31 35 1 40 31 -1 36 44 1 36 45 1 41 37 -1 38 42 1 39 48 1 40 45 1 41 49 1 42 43 1 43 44 1 45 47 1 46 47 1 46 48 1 48 49 1', '49 53 H 13.70 -14.87 H 16.17 -11.26 H 18.63 -10.73 C:22 22.31 -14.54 C:21 7.58 -14.67 C:22 19.76 -5.58 C:21 18.61 -16.74 C:23 22.72 -10.96 C:23 23.19 -8.60 C:17 11.60 -15.89 C:28 13.28 -15.82 C:22 13.70 -11.07 C:16 17.38 -8.96 C:17 17.38 -13.21 O 23.52 -12.44 O 8.78 -12.56 O 17.44 -4.85 O 16.18 -16.73 C:118 14.92 -10.34 C:36 16.17 -9.61 C:24 11.22 -12.50 C:36 12.45 -11.78 C:32 18.63 -12.50 C:33 19.89 -11.78 C:65 21.10 -11.04 C:40 20.34 -8.09 C:28 14.92 -14.66 O 21.10 -12.44 O 10.01 -14.65 O 17.98 -7.22 O 17.39 -14.64 C:171 22.31 -13.14 C:170 8.79 -13.96 C:171 18.39 -5.88 C:171 17.39 -16.04 C:146 14.92 -11.78 C:31 22.29 -9.64 C:80 11.22 -13.94 C:73 18.93 -8.25 C:74 16.17 -13.94 C:57 20.91 -9.37 C:38 12.45 -14.66 C:48 13.70 -13.94 C:39 13.70 -12.50 C:45 16.17 -12.50 C:38 17.38 -10.34 C:40 17.38 -11.78 C:56 18.63 -9.61 C:46 19.89 -10.34 43 1 -2 45 2 -1 48 3 -2 4 32 1 5 33 1 6 34 1 7 35 1 8 37 1 9 37 1 42 10 -1 42 11 -2 44 12 -1 46 13 -1 47 14 -2 15 32 2 16 33 2 17 34 2 18 35 2 19 20 1 19 36 2 20 46 1 21 22 1 21 38 1 22 44 1 23 24 1 23 47 1 24 49 1 25 28 1 49 25 -1 26 39 1 26 41 1 27 40 1 27 43 1 28 32 1 29 33 1 38 29 -1 30 34 1 39 30 -2 31 35 1 40 31 -1 36 44 1 36 45 1 41 37 -1 38 42 1 39 48 1 40 45 1 41 49 1 42 43 1 43 44 1 45 47 1 46 47 1 46 48 1 48 49 1', 'C38H58O8', 642.426, 'P', 'np_03_638_3a', 1563, '', '', '1', 1, NULL, NULL),
(1847, 'rubianol-d', '', 'Terpenoids', 'Triterpenoids', 'Arborinanes', '[H][C@@:5]45[CH2:6][C@H:7](O)[C@:8]1([H])[C:9](=[CH:11][CH2:12][C@@:13]2([CH3:27])[C@@:14]1([CH3:26])[CH2:15][CH2:16][C@@:17]3([CH2:28]O[C:28001]([CH3:28002])=O)[C@H:21]([CH:22]([CH3:29])[CH3:30])[CH2:20][C@@H:19](O)[C@:18]23[H])[C@@:10]4([CH3:25])[CH2:1][C@@H:2](O)[C@H:3](O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45C[C@H](O)[C@]1([H])C(=CC[C@@]2(C)[C@@]1(C)CC[C@@]3(COC(C)=O)[C@H](C(C)C)C[C@@H](O)[C@]23[H])[C@@]4(C)C[C@@H](O)[C@H](O)[C@@]5(C)C', '[H][C@@:49]45[CH2:34][C@H:72](O)[C@:49]1([H])[C:147](=[CH:117][CH2:37][C@@:38]2([CH3:17])[C@@:40]1([CH3:17])[CH2:32][CH2:33][C@@:47]3([CH2:65]O[C:171]([CH3:21])=O)[C@H:58]([CH:31]([CH3:23])[CH3:24])[CH2:43][C@@H:70](O)[C@:60]23[H])[C@@:41]4([CH3:23])[CH2:46][C@@H:69](O)[C@H:84](O)[C@@:40]5([CH3:18])[CH3:29]', '41 45 H 12.53 -14.48 H 15.00 -10.87 H 17.46 -10.34 C:28002 21.14 -14.15 C:29 21.55 -10.57 C:30 22.02 -8.21 C:24 10.43 -15.50 C:23 12.11 -15.43 C:25 12.53 -10.68 C:27 16.21 -8.57 C:26 16.21 -12.82 O 22.35 -12.05 O 8.84 -11.40 O 16.81 -6.83 O 16.22 -14.25 O 8.84 -14.26 C:11 13.75 -9.95 C:12 15.00 -9.22 C:15 17.46 -12.11 C:16 18.72 -11.39 C:28 19.93 -10.65 C:20 19.17 -7.70 C:1 11.28 -11.39 C:6 13.75 -14.27 O 19.93 -12.05 C:28001 21.14 -12.75 C:9 13.75 -11.39 C:22 21.12 -9.25 C:2 10.05 -12.11 C:19 17.76 -7.86 C:7 15.00 -13.55 C:3 10.05 -13.55 C:21 19.74 -8.98 C:4 11.28 -14.27 C:10 12.53 -12.11 C:5 12.53 -13.55 C:8 15.00 -12.11 C:13 16.21 -9.95 C:14 16.21 -11.39 C:18 17.46 -9.22 C:17 18.72 -9.95 36 1 -2 37 2 -1 40 3 -2 4 26 1 5 28 1 6 28 1 34 7 -1 34 8 -2 35 9 -1 38 10 -1 39 11 -2 12 26 2 29 13 -2 30 14 -2 31 15 -1 32 16 -1 17 18 1 17 27 2 18 38 1 19 20 1 19 39 1 20 41 1 21 25 1 41 21 -1 22 30 1 22 33 1 23 29 1 23 35 1 24 31 1 24 36 1 25 26 1 27 35 1 27 37 1 33 28 -1 29 32 1 30 40 1 31 37 1 32 34 1 33 41 1 34 36 1 35 36 1 37 39 1 38 39 1 38 40 1 40 41 1', '41 45 H 12.53 -14.48 H 15.00 -10.87 H 17.46 -10.34 C 21.14 -14.15 C 21.55 -10.57 C 22.02 -8.21 C 10.43 -15.50 C 12.11 -15.43 C 12.53 -10.68 C 16.21 -8.57 C 16.21 -12.82 O 22.35 -12.05 O 8.84 -11.40 O 16.81 -6.83 O 16.22 -14.25 O 8.84 -14.26 C 13.75 -9.95 C 15.00 -9.22 C 17.46 -12.11 C 18.72 -11.39 C 19.93 -10.65 C 19.17 -7.70 C 11.28 -11.39 C 13.75 -14.27 O 19.93 -12.05 C 21.14 -12.75 C 13.75 -11.39 C 21.12 -9.25 C 10.05 -12.11 C 17.76 -7.86 C 15.00 -13.55 C 10.05 -13.55 C 19.74 -8.98 C 11.28 -14.27 C 12.53 -12.11 C 12.53 -13.55 C 15.00 -12.11 C 16.21 -9.95 C 16.21 -11.39 C 17.46 -9.22 C 18.72 -9.95 36 1 -2 37 2 -1 40 3 -2 4 26 1 5 28 1 6 28 1 34 7 -1 34 8 -2 35 9 -1 38 10 -1 39 11 -2 12 26 2 29 13 -2 30 14 -2 31 15 -1 32 16 -1 17 18 1 17 27 2 18 38 1 19 20 1 19 39 1 20 41 1 21 25 1 41 21 -1 22 30 1 22 33 1 23 29 1 23 35 1 24 31 1 24 36 1 25 26 1 27 35 1 27 37 1 33 28 -1 29 32 1 30 40 1 31 37 1 32 34 1 33 41 1 34 36 1 35 36 1 37 39 1 38 39 1 38 40 1 40 41 1', '41 45 H 12.53 -14.48 H 15.00 -10.87 H 17.46 -10.34 C:21 21.14 -14.15 C:23 21.55 -10.57 C:24 22.02 -8.21 C:18 10.43 -15.50 C:29 12.11 -15.43 C:23 12.53 -10.68 C:17 16.21 -8.57 C:17 16.21 -12.82 O 22.35 -12.05 O 8.84 -11.40 O 16.81 -6.83 O 16.22 -14.25 O 8.84 -14.26 C:117 13.75 -9.95 C:37 15.00 -9.22 C:32 17.46 -12.11 C:33 18.72 -11.39 C:65 19.93 -10.65 C:43 19.17 -7.70 C:46 11.28 -11.39 C:34 13.75 -14.27 O 19.93 -12.05 C:171 21.14 -12.75 C:147 13.75 -11.39 C:31 21.12 -9.25 C:69 10.05 -12.11 C:70 17.76 -7.86 C:72 15.00 -13.55 C:84 10.05 -13.55 C:58 19.74 -8.98 C:40 11.28 -14.27 C:41 12.53 -12.11 C:49 12.53 -13.55 C:49 15.00 -12.11 C:38 16.21 -9.95 C:40 16.21 -11.39 C:60 17.46 -9.22 C:47 18.72 -9.95 36 1 -2 37 2 -1 40 3 -2 4 26 1 5 28 1 6 28 1 34 7 -1 34 8 -2 35 9 -1 38 10 -1 39 11 -2 12 26 2 29 13 -2 30 14 -2 31 15 -1 32 16 -1 17 18 1 17 27 2 18 38 1 19 20 1 19 39 1 20 41 1 21 25 1 41 21 -1 22 30 1 22 33 1 23 29 1 23 35 1 24 31 1 24 36 1 25 26 1 27 35 1 27 37 1 33 28 -1 29 32 1 30 40 1 31 37 1 32 34 1 33 41 1 34 36 1 35 36 1 37 39 1 38 39 1 38 40 1 40 41 1', 'C32H52O6', 532.363, 'P', 'np_03_638_4', 1563, 'Estereoquimica en 2 y 3 no indicada ', '', '1', 1, NULL, NULL),
(1848, 'Rubianol-d tetraacetate', '', 'Terpenoids', 'Triterpenoids', 'Arborinanes', '[H][C@@:5]45[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@:8]1([H])[C:9](=[CH:11][CH2:12][C@@:13]2([CH3:27])[C@@:14]1([CH3:26])[CH2:15][CH2:16][C@@:17]3([CH2:28]O[C:28001]([CH3:28002])=O)[C@H:21]([CH:22]([CH3:30])[CH3:29])[CH2:20][C@@H:19](O[C:19001]([CH3:19002])=O)[C@:18]23[H])[C@@:10]4([CH3:25])[CH2:1][C@@H:2](O[C:2001]([CH3:2002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]5([CH3:23])[CH3:24]', '[H][C@@]45C[C@H](OC(C)=O)[C@]1([H])C(=CC[C@@]2(C)[C@@]1(C)CC[C@@]3(COC(C)=O)[C@H](C(C)C)C[C@@H](OC(C)=O)[C@]23[H])[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]5(C)C', '[H][C@@:47]45[CH2:28][C@H:74](O[C:171]([CH3:21])=O)[C@:45]1([H])[C:145](=[CH:118][CH2:36][C@@:38]2([CH3:16])[C@@:40]1([CH3:17])[CH2:32][CH2:33][C@@:46]3([CH2:65]O[C:171]([CH3:22])=O)[C@H:57]([CH:31]([CH3:23])[CH3:23])[CH2:40][C@@H:73](O[C:171]([CH3:22])=O)[C@:56]23[H])[C@@:41]4([CH3:23])[CH2:42][C@@H:71](O[C:170]([CH3:21])=O)[C@H:80](O[C:171]([CH3:21])=O)[C@:39]5([CH3:28])[CH3:18]', '53 57 H 13.70 -15.21 H 16.17 -11.60 H 18.63 -11.07 C:28002 22.31 -14.88 C:2002 8.81 -10.02 C:7002 18.61 -17.06 C:19002 17.45 -5.19 C:3002 7.58 -15.01 C:30 23.19 -8.94 C:29 22.72 -11.30 C:23 13.28 -16.16 C:24 11.60 -16.23 C:25 13.70 -11.41 C:26 17.38 -13.55 C:27 17.38 -9.30 O 23.52 -12.78 O 11.24 -10.04 O 16.18 -17.08 O 19.76 -5.90 O 8.78 -12.90 C:11 14.92 -10.68 C:12 16.17 -9.95 C:15 18.63 -12.84 C:16 19.89 -12.12 C:28 21.10 -11.38 C:20 20.34 -8.43 C:6 14.92 -15.00 C:1 12.45 -12.12 O 21.10 -12.78 O 10.01 -12.13 O 17.39 -14.98 O 17.98 -7.56 O 10.01 -14.99 C:28001 22.31 -13.48 C:2001 10.02 -10.73 C:7001 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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
(1857, '', 'Bacchara-12,21-dien-3b-ol Acetate', 'Terpenoids', 'Triterpenoids', 'Baccharanes', '[H][C@:9]23[CH2:11][CH:12]=[C:13]1[CH2:18][C@:17]([CH3:28])([CH2:19][CH2:20][CH:21]=[C:22]([CH3:30])[CH3:29])[CH2:16][CH2:15][C@@:14]1([CH3:27])[C@:8]2([CH3:26])[CH2:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@:10]34[CH3:25]', '[H][C@]23CC=C1C[C@](C)(CCC=C(C)C)CC[C@@]1(C)[C@]2(C)CC[C@@]4([H])[C@](C)(C)[C@@H](OC(C)=O)CC[C@]34C', '[H][C@:48]23[CH2:23][CH:121]=[C:140]1[CH2:45][C@:34]([CH3:22])([CH2:46][CH2:22][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:33][CH2:26][C@@:43]1([CH3:22])[C@:39]2([CH3:18])[CH2:34][CH2:18][C@@:56]4([H])[C@:38]([CH3:17])([CH3:28])[C@@H:81](O[C:171]([CH3:21])=O)[CH2:24][CH2:39][C@:37]34[CH3:16]', '36 39 H 15.79 -12.64 H 17.09 -10.42 C:29 26.83 -9.46 C:30 28.07 -7.38 C:23 15.28 -13.52 C:24 13.79 -13.47 C:28 22.00 -6.55 C:27 19.56 -10.86 C:25 15.79 -8.71 C:26 18.31 -8.71 O 12.18 -12.32 C:21 25.65 -7.34 C:12 18.30 -7.30 C:20 24.43 -8.02 C:11 17.06 -7.99 C:2 13.37 -10.13 C:19 23.24 -7.30 C:16 22.00 -9.40 C:1 14.56 -9.40 C:6 17.06 -12.28 C:15 20.77 -10.13 C:7 18.30 -11.58 C:18 20.77 -7.30 C:22 26.85 -8.06 C:13 19.54 -7.99 C:3 13.37 -11.58 C:4 14.56 -12.28 C:17 22.00 -7.99 C:5 15.79 -11.58 C:9 17.06 -9.40 C:14 19.54 -9.40 C:10 15.79 -10.13 C:8 18.30 -10.13 C:3001 10.95 -11.66 C:3002 9.77 -12.40 O 10.95 -10.27 29 1 -2 30 2 -2 3 24 1 4 24 1 27 5 -2 27 6 -1 28 7 -1 31 8 -2 32 9 -1 33 10 -1 26 11 -1 12 14 1 12 24 2 13 15 1 13 25 2 14 17 1 15 30 1 16 19 1 16 26 1 17 28 1 18 21 1 18 28 1 19 32 1 20 22 1 20 29 1 21 31 1 22 33 1 23 25 1 23 28 1 25 31 1 26 27 1 27 29 1 29 32 1 30 32 1 30 33 1 31 33 1 11 34 1 34 35 1 34 36 2', '36 39 H 15.79 -12.64 H 17.09 -10.42 C 26.83 -9.46 C 28.07 -7.38 C 15.28 -13.52 C 13.79 -13.47 C 22.00 -6.55 C 19.56 -10.86 C 15.79 -8.71 C 18.31 -8.71 O 12.18 -12.32 C 25.65 -7.34 C 18.30 -7.30 C 24.43 -8.02 C 17.06 -7.99 C 13.37 -10.13 C 23.24 -7.30 C 22.00 -9.40 C 14.56 -9.40 C 17.06 -12.28 C 20.77 -10.13 C 18.30 -11.58 C 20.77 -7.30 C 26.85 -8.06 C 19.54 -7.99 C 13.37 -11.58 C 14.56 -12.28 C 22.00 -7.99 C 15.79 -11.58 C 17.06 -9.40 C 19.54 -9.40 C 15.79 -10.13 C 18.30 -10.13 C 10.95 -11.66 C 9.77 -12.40 O 10.95 -10.27 29 1 -2 30 2 -2 3 24 1 4 24 1 27 5 -2 27 6 -1 28 7 -1 31 8 -2 32 9 -1 33 10 -1 26 11 -1 12 14 1 12 24 2 13 15 1 13 25 2 14 17 1 15 30 1 16 19 1 16 26 1 17 28 1 18 21 1 18 28 1 19 32 1 20 22 1 20 29 1 21 31 1 22 33 1 23 25 1 23 28 1 25 31 1 26 27 1 27 29 1 29 32 1 30 32 1 30 33 1 31 33 1 11 34 1 34 35 1 34 36 2', '36 39 H 15.79 -12.64 H 17.09 -10.42 C:18 26.83 -9.46 C:26 28.07 -7.38 C:28 15.28 -13.52 C:17 13.79 -13.47 C:22 22.00 -6.55 C:22 19.56 -10.86 C:16 15.79 -8.71 C:18 18.31 -8.71 O 12.18 -12.32 C:125 25.65 -7.34 C:121 18.30 -7.30 C:22 24.43 -8.02 C:23 17.06 -7.99 C:24 13.37 -10.13 C:46 23.24 -7.30 C:33 22.00 -9.40 C:39 14.56 -9.40 C:18 17.06 -12.28 C:26 20.77 -10.13 C:34 18.30 -11.58 C:45 20.77 -7.30 C:131 26.85 -8.06 C:140 19.54 -7.99 C:81 13.37 -11.58 C:38 14.56 -12.28 C:34 22.00 -7.99 C:56 15.79 -11.58 C:48 17.06 -9.40 C:43 19.54 -9.40 C:37 15.79 -10.13 C:39 18.30 -10.13 C:171 10.95 -11.66 C:21 9.77 -12.40 O 10.95 -10.27 29 1 -2 30 2 -2 3 24 1 4 24 1 27 5 -2 27 6 -1 28 7 -1 31 8 -2 32 9 -1 33 10 -1 26 11 -1 12 14 1 12 24 2 13 15 1 13 25 2 14 17 1 15 30 1 16 19 1 16 26 1 17 28 1 18 21 1 18 28 1 19 32 1 20 22 1 20 29 1 21 31 1 22 33 1 23 25 1 23 28 1 25 31 1 26 27 1 27 29 1 29 32 1 30 32 1 30 33 1 31 33 1 11 34 1 34 35 1 34 36 2', 'C32H52O2', 468.357, 'C', 'ph_37_1413_1b', 70, '', '', '1', 1, NULL, NULL),
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(1859, 'Sasanquyl acetate', '', 'Terpenoids', 'Triterpenoids', 'D:B-Friedobaccharanes', '[H][C@@:10]3([CH2:1][CH2:2][CH2:3]O[C:3001]([CH3:3002])=O)[C:5](=[C:4]([CH3:23])[CH3:24])[CH2:6][CH2:7][CH:8]2[C@@:14]1([CH3:26])[CH2:15][CH2:16][C@@:17]([CH3:28])([CH2:19][CH2:20][CH:21]=[C:22]([CH3:30])[CH3:29])[CH2:18][C@:13]1([CH3:27])[CH2:12][CH2:11][C@:9]23[CH3:25]', '[H][C@@]3(CCCOC(C)=O)C(=C(C)C)CCC2[C@@]1(C)CC[C@@](C)(CCC=C(C)C)C[C@]1(C)CC[C@]23C', '[H][C@@:55]3([CH2:27][CH2:28][CH2:65]O[C:171]([CH3:21])=O)[C:134](=[C:122]([CH3:21])[CH3:21])[CH2:24][CH2:22][CH:43]2[C@@:39]1([CH3:15])[CH2:29][CH2:35][C@@:32]([CH3:33])([CH2:43][CH2:23][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:44][C@:37]1([CH3:20])[CH2:33][CH2:38][C@:39]23[CH3:19]', '35 37 H 13.10 -10.05 C:30 25.30 -8.42 C:29 24.07 -10.49 C:23 10.67 -12.59 C:24 11.87 -14.68 C:3002 5.84 -11.28 C:28 19.27 -7.60 C:27 16.83 -7.64 C:26 16.85 -11.88 C:25 14.37 -11.82 O 7.04 -9.14 C:21 22.90 -8.39 C:20 21.69 -9.06 C:2 10.67 -11.15 C:3 9.45 -10.49 C:6 14.37 -13.30 C:7 15.60 -12.59 C:19 20.50 -8.35 C:1 11.87 -10.43 C:16 19.27 -10.43 C:12 15.60 -8.35 C:15 18.05 -11.15 C:11 14.37 -9.03 C:18 18.05 -8.35 O 8.28 -11.21 C:22 24.09 -9.09 C:4 11.87 -13.30 C:3001 7.04 -10.55 C:5 13.10 -12.59 C:8 15.60 -11.15 C:17 19.27 -9.03 C:13 16.83 -9.03 C:10 13.10 -11.15 C:14 16.83 -10.43 C:9 14.37 -10.43 33 1 -2 2 26 1 3 26 1 4 27 1 5 27 1 6 28 1 31 7 -1 32 8 -2 34 9 -1 35 10 -1 11 28 2 12 13 1 12 26 2 13 18 1 14 15 1 14 19 1 15 25 1 16 17 1 16 29 1 17 30 1 18 31 1 19 33 1 20 22 1 20 31 1 21 23 1 21 32 1 22 34 1 23 35 1 24 31 1 24 32 1 25 28 1 27 29 2 29 33 1 30 34 1 30 35 1 32 34 1 33 35 1', '35 37 H 13.10 -10.05 C 25.30 -8.42 C 24.07 -10.49 C 10.67 -12.59 C 11.87 -14.68 C 5.84 -11.28 C 19.27 -7.60 C 16.83 -7.64 C 16.85 -11.88 C 14.37 -11.82 O 7.04 -9.14 C 22.90 -8.39 C 21.69 -9.06 C 10.67 -11.15 C 9.45 -10.49 C 14.37 -13.30 C 15.60 -12.59 C 20.50 -8.35 C 11.87 -10.43 C 19.27 -10.43 C 15.60 -8.35 C 18.05 -11.15 C 14.37 -9.03 C 18.05 -8.35 O 8.28 -11.21 C 24.09 -9.09 C 11.87 -13.30 C 7.04 -10.55 C 13.10 -12.59 C 15.60 -11.15 C 19.27 -9.03 C 16.83 -9.03 C 13.10 -11.15 C 16.83 -10.43 C 14.37 -10.43 33 1 -2 2 26 1 3 26 1 4 27 1 5 27 1 6 28 1 31 7 -1 32 8 -2 34 9 -1 35 10 -1 11 28 2 12 13 1 12 26 2 13 18 1 14 15 1 14 19 1 15 25 1 16 17 1 16 29 1 17 30 1 18 31 1 19 33 1 20 22 1 20 31 1 21 23 1 21 32 1 22 34 1 23 35 1 24 31 1 24 32 1 25 28 1 27 29 2 29 33 1 30 34 1 30 35 1 32 34 1 33 35 1', '35 37 H 13.10 -10.05 C:26 25.30 -8.42 C:18 24.07 -10.49 C:21 10.67 -12.59 C:21 11.87 -14.68 C:21 5.84 -11.28 C:33 19.27 -7.60 C:20 16.83 -7.64 C:15 16.85 -11.88 C:19 14.37 -11.82 O 7.04 -9.14 C:125 22.90 -8.39 C:23 21.69 -9.06 C:28 10.67 -11.15 C:65 9.45 -10.49 C:24 14.37 -13.30 C:22 15.60 -12.59 C:43 20.50 -8.35 C:27 11.87 -10.43 C:35 19.27 -10.43 C:33 15.60 -8.35 C:29 18.05 -11.15 C:38 14.37 -9.03 C:44 18.05 -8.35 O 8.28 -11.21 C:131 24.09 -9.09 C:122 11.87 -13.30 C:171 7.04 -10.55 C:134 13.10 -12.59 C:43 15.60 -11.15 C:32 19.27 -9.03 C:37 16.83 -9.03 C:55 13.10 -11.15 C:39 16.83 -10.43 C:39 14.37 -10.43 33 1 -2 2 26 1 3 26 1 4 27 1 5 27 1 6 28 1 31 7 -1 32 8 -2 34 9 -1 35 10 -1 11 28 2 12 13 1 12 26 2 13 18 1 14 15 1 14 19 1 15 25 1 16 17 1 16 29 1 17 30 1 18 31 1 19 33 1 20 22 1 20 31 1 21 23 1 21 32 1 22 34 1 23 35 1 24 31 1 24 32 1 25 28 1 27 29 2 29 33 1 30 34 1 30 35 1 32 34 1 33 35 1', 'C32H54O2', 470.349, 'C', 'ph_48_301_2', 76, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(1870, 'Cheilocline A', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@:8]57[CH:7]=[CH:6][c:5]4[c:4]([CH3:23])[c:3]3O[C@:105]12[CH2:104][CH:103]=[C:102]([CH3:115])[C@:101]1([CH2:110][CH:109]([C:111](=[CH2:112])[CH3:113])[CH2:108][CH2:107][CH:106]2[CH3:114])O[c:2]3[cH:1][c:10]4[C@:9]5([CH3:25])[CH2:11][CH2:12][C@@:13]8([CH3:27])[C@:18]6([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]6([CH3:28])[CH2:16][CH2:15][C@:14]78[CH3:26]', '[H][C@]57C=Cc4c(C)c3O[C@]12CC=C(C)[C@]1(CC(C(=C)C)CCC2C)Oc3cc4[C@]5(C)CC[C@@]8(C)[C@]6([H])C[C@](C)(C(=O)OC)CC[C@]6(C)CC[C@]78C', '[H][C@:45]57[CH:129]=[CH:124][c:125]4[c:123]([CH3:11])[c:142]3O[C@:97]12[CH2:141][CH:129]=[C:39]([CH3:13])[C@:93]1([CH2:40][CH:33]([C:151](=[CH2:109])[CH3:20])[CH2:36][CH2:44][CH:38]2[CH3:19])O[c:146]3[cH:109][c:144]4[C@:38]5([CH3:22])[CH2:31][CH2:30][C@@:39]8([CH3:17])[C@:44]6([H])[CH2:31][C@:41]([CH3:32])([C:179](=O)O[CH3:52])[CH2:30][CH2:37][C@:30]6([CH3:32])[CH2:35][CH2:28][C@:39]78[CH3:17]', '51 58 H 21.60 -10.90 H 24.04 -10.24 C:112 9.55 -10.47 C:29001 28.27 -4.73 C:113 11.46 -8.95 C:115 12.54 -10.12 C:23 17.93 -15.47 C:114 13.51 -15.57 C:30 24.39 -5.83 C:28 25.28 -8.39 C:25 20.37 -12.63 C:26 22.88 -12.63 C:27 22.83 -8.39 O 25.48 -4.52 C:6 20.37 -14.05 C:103 12.13 -12.61 C:7 21.60 -13.34 C:1 17.93 -11.23 C:104 12.96 -13.78 C:107 11.82 -13.88 C:108 11.21 -12.61 C:21 26.49 -7.68 C:22 26.49 -9.11 C:16 25.28 -11.23 C:11 20.37 -9.81 C:15 24.04 -11.93 C:12 21.60 -9.11 C:110 13.19 -11.05 C:19 24.04 -7.68 O 27.47 -5.89 O 15.51 -11.22 O 15.51 -14.04 C:111 10.95 -10.26 C:102 12.96 -11.47 C:29 26.07 -5.78 C:4 17.93 -14.05 C:2 16.73 -11.93 C:5 19.15 -13.34 C:10 19.15 -11.93 C:3 16.73 -13.34 C:106 13.19 -14.20 C:109 11.82 -11.36 C:8 21.60 -11.93 C:20 25.28 -6.97 C:18 24.04 -9.11 C:17 25.28 -9.81 C:9 20.37 -11.23 C:14 22.83 -11.23 C:13 22.83 -9.81 C:101 14.30 -11.91 C:105 14.30 -13.34 43 1 -2 45 2 -1 3 33 2 4 30 1 5 33 1 6 34 1 7 36 1 8 41 1 44 9 -1 46 10 -1 47 11 -1 48 12 -1 49 13 -2 14 35 2 15 17 2 15 38 1 16 19 1 16 34 2 17 43 1 18 37 1 18 39 2 51 19 -2 20 21 1 20 41 1 21 42 1 22 23 1 22 44 1 23 46 1 24 26 1 24 46 1 25 27 1 25 47 1 26 48 1 27 49 1 28 42 1 50 28 -1 29 44 1 29 45 1 30 35 1 31 37 1 31 50 1 32 40 1 32 51 1 33 42 1 50 34 -2 44 35 -2 36 38 2 36 40 1 37 40 2 38 39 1 39 47 1 51 41 -1 43 47 1 43 48 1 45 46 1 45 49 1 48 49 1 50 51 1', '51 58 H 21.60 -10.90 H 24.04 -10.24 C 9.55 -10.47 C 28.27 -4.73 C 11.46 -8.95 C 12.54 -10.12 C 17.93 -15.47 C 13.51 -15.57 C 24.39 -5.83 C 25.28 -8.39 C 20.37 -12.63 C 22.88 -12.63 C 22.83 -8.39 O 25.48 -4.52 C 20.37 -14.05 C 12.13 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21.60 -10.90 H 24.04 -10.24 C:109 9.55 -10.47 C:52 28.27 -4.73 C:20 11.46 -8.95 C:13 12.54 -10.12 C:11 17.93 -15.47 C:19 13.51 -15.57 C:32 24.39 -5.83 C:32 25.28 -8.39 C:22 20.37 -12.63 C:17 22.88 -12.63 C:17 22.83 -8.39 O 25.48 -4.52 C:124 20.37 -14.05 C:129 12.13 -12.61 C:129 21.60 -13.34 C:109 17.93 -11.23 C:141 12.96 -13.78 C:44 11.82 -13.88 C:36 11.21 -12.61 C:30 26.49 -7.68 C:37 26.49 -9.11 C:35 25.28 -11.23 C:31 20.37 -9.81 C:28 24.04 -11.93 C:30 21.60 -9.11 C:40 13.19 -11.05 C:31 24.04 -7.68 O 27.47 -5.89 O 15.51 -11.22 O 15.51 -14.04 C:151 10.95 -10.26 C:39 12.96 -11.47 C:179 26.07 -5.78 C:123 17.93 -14.05 C:146 16.73 -11.93 C:125 19.15 -13.34 C:144 19.15 -11.93 C:142 16.73 -13.34 C:38 13.19 -14.20 C:33 11.82 -11.36 C:45 21.60 -11.93 C:41 25.28 -6.97 C:44 24.04 -9.11 C:30 25.28 -9.81 C:38 20.37 -11.23 C:39 22.83 -11.23 C:39 22.83 -9.81 C:93 14.30 -11.91 C:97 14.30 -13.34 43 1 -2 45 2 -1 3 33 2 4 30 1 5 33 1 6 34 1 7 36 1 8 41 1 44 9 -1 46 10 -1 47 11 -1 48 12 -1 49 13 -2 14 35 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(1871, 'Cheilocline B', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@:8]57[CH:7]=[CH:6][c:5]4[c:4]([CH3:23])[c:3]3O[C@@:105]12[CH2:106][CH:107]([C:111](=[CH2:112])[CH3:113])[CH2:108][CH2:109][CH:110]([CH3:114])[C@@:101]1([CH2:102][CH:103]=[C:104]2[CH3:115])O[c:2]3[cH:1][c:10]4[C@:9]5([CH3:25])[CH2:11][CH2:12][C@@:13]8([CH3:27])[C@:18]6([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]6([CH3:28])[CH2:16][CH2:15][C@:14]78[CH3:26]', '[H][C@]57C=Cc4c(C)c3O[C@@]12CC(C(=C)C)CCC(C)[C@@]1(CC=C2C)Oc3cc4[C@]5(C)CC[C@@]8(C)[C@]6([H])C[C@](C)(C(=O)OC)CC[C@]6(C)CC[C@]78C', '[H][C@:46]57[CH:128]=[CH:124][c:124]4[c:121]([CH3:11])[c:138]3O[C@@:84]12[CH2:35][CH:45]([C:152](=[CH2:108])[CH3:19])[CH2:39][CH2:39][CH:33]([CH3:20])[C@@:87]1([CH2:42][CH:124]=[C:151]2[CH3:23])O[c:142]3[cH:108][c:142]4[C@:37]5([CH3:17])[CH2:31][CH2:30][C@@:39]8([CH3:17])[C@:44]6([H])[CH2:30][C@:41]([CH3:32])([C:179](=O)O[CH3:52])[CH2:30][CH2:36][C@:31]6([CH3:32])[CH2:36][CH2:28][C@:39]78[CH3:22]', '51 58 H 21.61 -10.54 H 24.05 -9.85 C:112 9.56 -14.39 C:29001 28.28 -4.34 C:113 11.47 -15.90 C:115 12.54 -14.74 C:23 17.94 -15.08 C:114 13.50 -9.28 C:30 24.40 -5.44 C:28 25.28 -8.00 C:25 20.38 -12.25 C:26 22.88 -12.25 C:27 22.83 -8.00 O 25.49 -4.12 C:6 20.38 -13.66 C:103 12.13 -12.23 C:7 21.61 -12.95 C:1 17.94 -10.84 C:102 12.96 -11.08 C:109 11.83 -10.97 C:108 11.21 -12.23 C:21 26.50 -7.29 C:22 26.50 -8.72 C:16 25.28 -10.84 C:11 20.38 -9.42 C:15 24.05 -11.54 C:12 21.61 -8.72 C:106 13.19 -13.81 C:19 24.05 -7.29 O 27.48 -5.50 O 15.52 -10.83 O 15.52 -13.65 C:111 10.95 -14.60 C:104 12.96 -13.39 C:29 26.08 -5.39 C:4 17.94 -13.66 C:2 16.73 -11.54 C:5 19.15 -12.95 C:10 19.15 -11.54 C:3 16.73 -12.95 C:110 13.19 -10.66 C:107 11.83 -13.49 C:8 21.61 -11.54 C:20 25.28 -6.58 C:18 24.05 -8.72 C:17 25.28 -9.42 C:9 20.38 -10.84 C:14 22.83 -10.84 C:13 22.83 -9.42 C:105 14.30 -12.95 C:101 14.30 -11.52 43 1 -2 45 2 -1 3 33 2 4 30 1 5 33 1 6 34 1 7 36 1 8 41 1 44 9 -1 46 10 -1 47 11 -1 48 12 -1 49 13 -2 14 35 2 15 17 2 15 38 1 16 19 1 16 34 2 17 43 1 18 37 1 18 39 2 51 19 -2 20 21 1 20 41 1 21 42 1 22 23 1 22 44 1 23 46 1 24 26 1 24 46 1 25 27 1 25 47 1 26 48 1 27 49 1 28 42 1 50 28 -1 29 44 1 29 45 1 30 35 1 31 37 1 31 51 1 32 40 1 32 50 1 33 42 1 50 34 -2 44 35 -2 36 38 2 36 40 1 37 40 2 38 39 1 39 47 1 51 41 -1 43 47 1 43 48 1 45 46 1 45 49 1 48 49 1 50 51 1', '51 58 H 21.61 -10.54 H 24.05 -9.85 C 9.56 -14.39 C 28.28 -4.34 C 11.47 -15.90 C 12.54 -14.74 C 17.94 -15.08 C 13.50 -9.28 C 24.40 -5.44 C 25.28 -8.00 C 20.38 -12.25 C 22.88 -12.25 C 22.83 -8.00 O 25.49 -4.12 C 20.38 -13.66 C 12.13 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(1879, 'Isoblepharodol', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@@:18]14[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:26])[C@@:8]3([H])[C:7](=O)[CH2:6][c:5]2[c:4]([CH3:23])[c:3](O)[c:2](O)[cH:1][c:10]2[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]45[CH3:27]', '[H][C@@]14C[C@](C)(C(=O)OC)CC[C@]1(C)CC[C@]5(C)[C@@]3([H])C(=O)Cc2c(C)c(O)c(O)cc2[C@]3(C)CC[C@@]45C', '[H][C@@:44]14[CH2:31][C@:41]([CH3:32])([C:179](=O)O[CH3:52])[CH2:30][CH2:36][C@:30]1([CH3:32])[CH2:36][CH2:28][C@:39]5([CH3:15])[C@@:58]3([H])[C:210](=O)[CH2:44][c:124]2[c:122]([CH3:12])[c:140](O)[c:142](O)[cH:108][c:142]2[C@:39]3([CH3:28])[CH2:34][CH2:29][C@@:39]45[CH3:17]', '37 41 H 18.64 -10.95 C:29001 25.35 -4.76 C:23 14.96 -15.52 C:30 21.46 -5.87 C:28 22.32 -8.42 C:25 17.41 -12.68 C:26 19.94 -12.68 C:27 19.89 -8.42 O 22.54 -4.55 O 19.89 -14.08 O 12.54 -11.25 O 12.55 -14.09 H 21.10 -10.26 C:1 14.96 -11.26 C:21 23.56 -7.72 C:22 23.56 -9.14 C:16 22.32 -11.26 C:11 17.41 -9.84 C:15 21.10 -11.97 C:12 18.64 -9.14 C:19 21.10 -7.72 O 24.54 -5.93 C:29 23.14 -5.82 C:6 17.41 -14.10 C:7 18.64 -13.39 C:4 14.96 -14.10 C:2 13.75 -11.97 C:3 13.75 -13.39 C:10 16.18 -11.97 C:5 16.18 -13.39 C:20 22.32 -7.00 C:17 22.32 -9.84 C:8 18.64 -11.97 C:9 17.41 -11.26 C:14 19.89 -11.26 C:13 19.89 -9.84 C:18 21.10 -9.14 33 1 -2 2 22 1 3 26 1 31 4 -1 32 5 -1 34 6 -1 35 7 -1 36 8 -2 9 23 2 10 25 2 11 27 1 12 28 1 37 13 -1 14 27 2 14 29 1 15 16 1 15 31 1 16 32 1 17 19 1 17 32 1 18 20 1 18 34 1 19 35 1 20 36 1 21 31 1 21 37 1 22 23 1 31 23 -2 24 25 1 24 30 1 25 33 1 26 28 2 26 30 1 27 28 1 29 30 2 29 34 1 32 37 1 33 34 1 33 35 1 35 36 1 36 37 1', '37 41 H 18.64 -10.95 C 25.35 -4.76 C 14.96 -15.52 C 21.46 -5.87 C 22.32 -8.42 C 17.41 -12.68 C 19.94 -12.68 C 19.89 -8.42 O 22.54 -4.55 O 19.89 -14.08 O 12.54 -11.25 O 12.55 -14.09 H 21.10 -10.26 C 14.96 -11.26 C 23.56 -7.72 C 23.56 -9.14 C 22.32 -11.26 C 17.41 -9.84 C 21.10 -11.97 C 18.64 -9.14 C 21.10 -7.72 O 24.54 -5.93 C 23.14 -5.82 C 17.41 -14.10 C 18.64 -13.39 C 14.96 -14.10 C 13.75 -11.97 C 13.75 -13.39 C 16.18 -11.97 C 16.18 -13.39 C 22.32 -7.00 C 22.32 -9.84 C 18.64 -11.97 C 17.41 -11.26 C 19.89 -11.26 C 19.89 -9.84 C 21.10 -9.14 33 1 -2 2 22 1 3 26 1 31 4 -1 32 5 -1 34 6 -1 35 7 -1 36 8 -2 9 23 2 10 25 2 11 27 1 12 28 1 37 13 -1 14 27 2 14 29 1 15 16 1 15 31 1 16 32 1 17 19 1 17 32 1 18 20 1 18 34 1 19 35 1 20 36 1 21 31 1 21 37 1 22 23 1 31 23 -2 24 25 1 24 30 1 25 33 1 26 28 2 26 30 1 27 28 1 29 30 2 29 34 1 32 37 1 33 34 1 33 35 1 35 36 1 36 37 1', '37 41 H 18.64 -10.95 C:52 25.35 -4.76 C:12 14.96 -15.52 C:32 21.46 -5.87 C:32 22.32 -8.42 C:28 17.41 -12.68 C:15 19.94 -12.68 C:17 19.89 -8.42 O 22.54 -4.55 O 19.89 -14.08 O 12.54 -11.25 O 12.55 -14.09 H 21.10 -10.26 C:108 14.96 -11.26 C:30 23.56 -7.72 C:36 23.56 -9.14 C:36 22.32 -11.26 C:34 17.41 -9.84 C:28 21.10 -11.97 C:29 18.64 -9.14 C:31 21.10 -7.72 O 24.54 -5.93 C:179 23.14 -5.82 C:44 17.41 -14.10 C:210 18.64 -13.39 C:122 14.96 -14.10 C:142 13.75 -11.97 C:140 13.75 -13.39 C:142 16.18 -11.97 C:124 16.18 -13.39 C:41 22.32 -7.00 C:30 22.32 -9.84 C:58 18.64 -11.97 C:39 17.41 -11.26 C:39 19.89 -11.26 C:39 19.89 -9.84 C:44 21.10 -9.14 33 1 -2 2 22 1 3 26 1 31 4 -1 32 5 -1 34 6 -1 35 7 -1 36 8 -2 9 23 2 10 25 2 11 27 1 12 28 1 37 13 -1 14 27 2 14 29 1 15 16 1 15 31 1 16 32 1 17 19 1 17 32 1 18 20 1 18 34 1 19 35 1 20 36 1 21 31 1 21 37 1 22 23 1 31 23 -2 24 25 1 24 30 1 25 33 1 26 28 2 26 30 1 27 28 1 29 30 2 29 34 1 32 37 1 33 34 1 33 35 1 35 36 1 36 37 1', 'C30H42O5', 482.334, 'C', 'ttr_61_2513_1', 1909, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(1880, '7-Oxoblepharodol', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@@:18]14[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:26])[C@@:8]3([H])[C:7](=O)[C:6](=O)[c:5]2[c:4]([CH3:23])[c:3](O)[c:2](O)[cH:1][c:10]2[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]45[CH3:27]', '[H][C@@]14C[C@](C)(C(=O)OC)CC[C@]1(C)CC[C@]5(C)[C@@]3([H])C(=O)C(=O)c2c(C)c(O)c(O)cc2[C@]3(C)CC[C@@]45C', '[H][C@@:44]14[CH2:31][C@:41]([CH3:33])([C:180](=O)O[CH3:52])[CH2:30][CH2:36][C@:30]1([CH3:32])[CH2:36][CH2:39][C@:39]5([CH3:15])[C@@:60]3([H])[C:197](=O)[C:182](=O)[c:123]2[c:129]([CH3:14])[c:141](O)[c:150](O)[cH:108][c:154]2[C@:39]3([CH3:32])[CH2:34][CH2:28][C@@:40]45[CH3:17]', '38 42 H 18.63 -10.94 C:29001 25.34 -4.76 C:23 14.95 -15.51 C:30 21.45 -5.87 C:28 22.31 -8.42 C:25 17.40 -12.67 C:26 19.93 -12.67 C:27 19.88 -8.42 O 22.53 -4.55 O 17.40 -15.51 O 19.88 -14.07 O 12.53 -11.24 O 12.54 -14.08 H 21.09 -10.26 C:1 14.95 -11.25 C:21 23.55 -7.72 C:22 23.55 -9.14 C:16 22.31 -11.25 C:11 17.40 -9.84 C:15 21.09 -11.96 C:12 18.63 -9.14 C:19 21.09 -7.72 O 24.53 -5.93 C:29 23.13 -5.82 C:6 17.40 -14.09 C:7 18.63 -13.38 C:4 14.95 -14.09 C:2 13.74 -11.96 C:3 13.74 -13.38 C:10 16.17 -11.96 C:5 16.17 -13.38 C:20 22.31 -7.00 C:17 22.31 -9.84 C:8 18.63 -11.96 C:9 17.40 -11.25 C:14 19.88 -11.25 C:13 19.88 -9.84 C:18 21.09 -9.14 34 1 -2 2 23 1 3 27 1 32 4 -1 33 5 -1 35 6 -1 36 7 -1 37 8 -2 9 24 2 10 25 2 11 26 2 12 28 1 13 29 1 38 14 -1 15 28 2 15 30 1 16 17 1 16 32 1 17 33 1 18 20 1 18 33 1 19 21 1 19 35 1 20 36 1 21 37 1 22 32 1 22 38 1 23 24 1 32 24 -2 25 26 1 25 31 1 26 34 1 27 29 2 27 31 1 28 29 1 30 31 2 30 35 1 33 38 1 34 35 1 34 36 1 36 37 1 37 38 1', '38 42 H 18.63 -10.94 C 25.34 -4.76 C 14.95 -15.51 C 21.45 -5.87 C 22.31 -8.42 C 17.40 -12.67 C 19.93 -12.67 C 19.88 -8.42 O 22.53 -4.55 O 17.40 -15.51 O 19.88 -14.07 O 12.53 -11.24 O 12.54 -14.08 H 21.09 -10.26 C 14.95 -11.25 C 23.55 -7.72 C 23.55 -9.14 C 22.31 -11.25 C 17.40 -9.84 C 21.09 -11.96 C 18.63 -9.14 C 21.09 -7.72 O 24.53 -5.93 C 23.13 -5.82 C 17.40 -14.09 C 18.63 -13.38 C 14.95 -14.09 C 13.74 -11.96 C 13.74 -13.38 C 16.17 -11.96 C 16.17 -13.38 C 22.31 -7.00 C 22.31 -9.84 C 18.63 -11.96 C 17.40 -11.25 C 19.88 -11.25 C 19.88 -9.84 C 21.09 -9.14 34 1 -2 2 23 1 3 27 1 32 4 -1 33 5 -1 35 6 -1 36 7 -1 37 8 -2 9 24 2 10 25 2 11 26 2 12 28 1 13 29 1 38 14 -1 15 28 2 15 30 1 16 17 1 16 32 1 17 33 1 18 20 1 18 33 1 19 21 1 19 35 1 20 36 1 21 37 1 22 32 1 22 38 1 23 24 1 32 24 -2 25 26 1 25 31 1 26 34 1 27 29 2 27 31 1 28 29 1 30 31 2 30 35 1 33 38 1 34 35 1 34 36 1 36 37 1 37 38 1', '38 42 H 18.63 -10.94 C:52 25.34 -4.76 C:14 14.95 -15.51 C:33 21.45 -5.87 C:32 22.31 -8.42 C:32 17.40 -12.67 C:15 19.93 -12.67 C:17 19.88 -8.42 O 22.53 -4.55 O 17.40 -15.51 O 19.88 -14.07 O 12.53 -11.24 O 12.54 -14.08 H 21.09 -10.26 C:108 14.95 -11.25 C:30 23.55 -7.72 C:36 23.55 -9.14 C:36 22.31 -11.25 C:34 17.40 -9.84 C:39 21.09 -11.96 C:28 18.63 -9.14 C:31 21.09 -7.72 O 24.53 -5.93 C:180 23.13 -5.82 C:182 17.40 -14.09 C:197 18.63 -13.38 C:129 14.95 -14.09 C:150 13.74 -11.96 C:141 13.74 -13.38 C:154 16.17 -11.96 C:123 16.17 -13.38 C:41 22.31 -7.00 C:30 22.31 -9.84 C:60 18.63 -11.96 C:39 17.40 -11.25 C:39 19.88 -11.25 C:40 19.88 -9.84 C:44 21.09 -9.14 34 1 -2 2 23 1 3 27 1 32 4 -1 33 5 -1 35 6 -1 36 7 -1 37 8 -2 9 24 2 10 25 2 11 26 2 12 28 1 13 29 1 38 14 -1 15 28 2 15 30 1 16 17 1 16 32 1 17 33 1 18 20 1 18 33 1 19 21 1 19 35 1 20 36 1 21 37 1 22 32 1 22 38 1 23 24 1 32 24 -2 25 26 1 25 31 1 26 34 1 27 29 2 27 31 1 28 29 1 30 31 2 30 35 1 33 38 1 34 35 1 34 36 1 36 37 1 37 38 1', 'C30H40O6', 496.333, 'C', 'ttr_61_2513_2', 1909, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1904, '(23S*)-Cycloart-24-ene-3b,23-diol', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][C@H:23](O)[CH:24]=[C:25]([CH3:26])[CH3:27])[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)C[C@H](O)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@:53]4([C@H:34]([CH3:19])[CH2:45][C@H:67](O)[CH:128]=[C:136]([CH3:25])[CH3:18])[CH2:26][CH2:33][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:28][CH2:21][C@@:47]1([H])[C@:41]([CH3:14])([CH3:26])[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 16.48 -10.24 H 11.60 -14.60 H 14.05 -10.71 C:26 23.21 -9.23 C:27 21.35 -10.89 C:21 16.15 -6.94 C:29 9.61 -15.30 C:28 11.18 -15.26 C:18 15.32 -8.37 C:30 15.32 -12.61 O 19.02 -10.10 O 7.91 -14.07 C:24 20.84 -8.47 C:2 9.12 -11.91 C:16 17.49 -10.50 C:6 12.84 -14.08 C:7 14.05 -13.36 C:1 10.35 -11.21 C:15 16.63 -11.63 C:12 14.05 -9.07 C:11 12.84 -9.79 C:22 18.49 -7.70 C:19 11.62 -10.50 C:25 21.79 -9.52 C:23 19.44 -8.77 C:20 17.09 -8.01 C:3 9.12 -13.36 C:4 10.35 -14.08 C:17 16.63 -9.35 C:5 11.60 -13.36 C:8 14.05 -11.91 C:13 15.29 -9.79 C:14 15.29 -11.21 C:10 11.60 -11.91 C:9 12.84 -11.21 29 1 -2 30 2 -2 31 3 -1 4 24 1 5 24 1 26 6 -2 28 7 -1 28 8 -2 32 9 -1 33 10 -2 25 11 -1 27 12 -1 13 24 2 13 25 1 14 18 1 14 27 1 15 19 1 15 29 1 16 17 1 16 30 1 17 31 1 18 34 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 22 26 1 34 23 -1 35 23 -1 26 29 1 27 28 1 28 30 1 29 32 1 30 34 1 31 33 1 31 35 1 32 33 1 34 35 1', '35 39 H 16.48 -10.24 H 11.60 -14.60 H 14.05 -10.71 C 23.21 -9.23 C 21.35 -10.89 C 16.15 -6.94 C 9.61 -15.30 C 11.18 -15.26 C 15.32 -8.37 C 15.32 -12.61 O 19.02 -10.10 O 7.91 -14.07 C 20.84 -8.47 C 9.12 -11.91 C 17.49 -10.50 C 12.84 -14.08 C 14.05 -13.36 C 10.35 -11.21 C 16.63 -11.63 C 14.05 -9.07 C 12.84 -9.79 C 18.49 -7.70 C 11.62 -10.50 C 21.79 -9.52 C 19.44 -8.77 C 17.09 -8.01 C 9.12 -13.36 C 10.35 -14.08 C 16.63 -9.35 C 11.60 -13.36 C 14.05 -11.91 C 15.29 -9.79 C 15.29 -11.21 C 11.60 -11.91 C 12.84 -11.21 29 1 -2 30 2 -2 31 3 -1 4 24 1 5 24 1 26 6 -2 28 7 -1 28 8 -2 32 9 -1 33 10 -2 25 11 -1 27 12 -1 13 24 2 13 25 1 14 18 1 14 27 1 15 19 1 15 29 1 16 17 1 16 30 1 17 31 1 18 34 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 22 26 1 34 23 -1 35 23 -1 26 29 1 27 28 1 28 30 1 29 32 1 30 34 1 31 33 1 31 35 1 32 33 1 34 35 1', '35 39 H 16.48 -10.24 H 11.60 -14.60 H 14.05 -10.71 C:25 23.21 -9.23 C:18 21.35 -10.89 C:19 16.15 -6.94 C:14 9.61 -15.30 C:26 11.18 -15.26 C:18 15.32 -8.37 C:19 15.32 -12.61 O 19.02 -10.10 O 7.91 -14.07 C:128 20.84 -8.47 C:30 9.12 -11.91 C:26 17.49 -10.50 C:21 12.84 -14.08 C:28 14.05 -13.36 C:32 10.35 -11.21 C:33 16.63 -11.63 C:36 14.05 -9.07 C:26 12.84 -9.79 C:45 18.49 -7.70 C:30 11.62 -10.50 C:136 21.79 -9.52 C:67 19.44 -8.77 C:34 17.09 -8.01 C:79 9.12 -13.36 C:41 10.35 -14.08 C:53 16.63 -9.35 C:47 11.60 -13.36 C:48 14.05 -11.91 C:45 15.29 -9.79 C:49 15.29 -11.21 C:26 11.60 -11.91 C:20 12.84 -11.21 29 1 -2 30 2 -2 31 3 -1 4 24 1 5 24 1 26 6 -2 28 7 -1 28 8 -2 32 9 -1 33 10 -2 25 11 -1 27 12 -1 13 24 2 13 25 1 14 18 1 14 27 1 15 19 1 15 29 1 16 17 1 16 30 1 17 31 1 18 34 1 19 33 1 20 21 1 20 32 1 21 35 1 22 25 1 22 26 1 34 23 -1 35 23 -1 26 29 1 27 28 1 28 30 1 29 32 1 30 34 1 31 33 1 31 35 1 32 33 1 34 35 1', 'C30H50O2', 442.344, 'C', 'ph_60_333_11', 1253, 'Corregidos C-28 y 29', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(1906, 'Cyclogalaginoside E', '20S,24R-cycloartan-3b,6a,16b,25-tetraol-3-O-b-D-xylopyranoside-25-O-b-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]35[CH2:7][C@H:6](O)[C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:2][CH2:1][C@@:10]24[CH2:19][C@@:9]34[CH2:11][CH2:12][C@@:13]6([CH3:18])[C@@:14]5([CH3:30])[CH2:15][C@H:16](O)[C@@:17]6([H])[C@:20]8([CH3:21])[CH2:22][CH2:23][C@H:24]([C:25]([CH3:26])([CH3:27])O[C@@H:201]7O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]7O)O8', '[H][C@@]35C[C@H](O)[C@@]2([H])[C@@](C)(C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]24C[C@@]34CC[C@@]6(C)[C@@]5(C)C[C@H](O)[C@@]6([H])[C@]8(C)CC[C@H](C(C)(C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O8', '[H][C@@:49]35[CH2:39][C@H:70](O)[C@@:55]2([H])[C@@:43]([CH3:29])([CH3:21])[C@@H:90](O[C@@H:107]1O[CH2:67][C@@H:71](O)[C@H:78](O)[C@H:76]1O)[CH2:31][CH2:33][C@@:31]24[CH2:32][C@@:22]34[CH2:27][CH2:34][C@@:48]6([CH3:21])[C@@:47]5([CH3:17])[CH2:49][C@H:74](O)[C@@:56]6([H])[C@:89]8([CH3:25])[CH2:38][CH2:24][C@H:86]([C:79]([CH3:25])([CH3:24])O[C@@H:99]7O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]7O)O8', '58 65 H 18.64 -15.17 H 21.10 -14.70 H 16.17 -19.06 C:26 22.98 -8.09 C:27 20.55 -8.07 C:28 15.74 -19.73 C:29 14.17 -19.77 C:21 22.64 -13.51 C:18 19.93 -12.83 C:30 19.93 -17.08 O 21.87 -2.32 O 7.59 -15.80 O 17.46 -19.95 O 23.51 -14.92 O 7.62 -18.59 O 17.08 -6.13 O 17.81 -3.41 O 10.06 -19.97 O 19.06 -8.10 C:206 20.52 -2.68 C:23 23.04 -10.64 C:2 13.68 -16.37 C:22 23.04 -12.05 C:1 14.91 -15.67 C:12 18.64 -13.52 C:11 17.43 -14.24 C:105 10.02 -15.78 C:7 18.64 -17.83 C:15 21.26 -16.09 C:19 16.19 -14.96 O 11.23 -16.47 O 21.15 -5.04 O 12.47 -18.54 O 21.78 -7.38 O 20.90 -11.31 C:104 8.82 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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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(1931, 'Depressegenin A', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:5]46[CH2:6][CH2:7][C@@:8]3([H])[C@:14]2([CH3:30])[CH2:15][C@H:16](O)[C@@:17]([H])([C@H:20]([CH3:21])[C@H:22]1[CH2:23][C@H:24](O)[C@@:25]([CH3:27])([CH3:26])O1)[C@@:13]2([CH3:18])[CH2:12][CH2:11][C@:9]35[CH2:19][C@:10]45[CH2:1][CH2:2][C@H:3](O)[C@@:4]6([CH3:29])[CH3:28]', '[H][C@@]46CC[C@@]3([H])[C@]2(C)C[C@H](O)[C@@]([H])([C@H](C)[C@H]1C[C@H](O)[C@@](C)(C)O1)[C@@]2(C)CC[C@]35C[C@]45CC[C@H](O)[C@@]6(C)C', '[H][C@@:47]46[CH2:21][CH2:26][C@@:48]3([H])[C@:47]2([CH3:20])[CH2:46][C@H:72](O)[C@@:51]([H])([C@H:32]([CH3:17])[C@H:81]1[CH2:35][C@H:78](O)[C@@:83]([CH3:22])([CH3:25])O1)[C@@:47]2([CH3:19])[CH2:33][CH2:26][C@:21]35[CH2:30][C@:26]45[CH2:32][CH2:30][C@H:79](O)[C@@:40]6([CH3:14])[CH3:25]', '37 42 H 8.70 -12.38 H 11.15 -8.48 H 13.59 -8.01 C:21 13.26 -4.70 C:26 18.49 -3.26 C:27 17.26 -2.94 C:28 8.28 -13.04 C:29 6.70 -13.08 C:18 12.43 -6.14 C:30 12.43 -10.39 O 5.01 -11.85 O 16.00 -8.29 C:2 6.21 -9.68 C:6 9.94 -11.86 C:7 11.15 -11.14 C:1 7.45 -8.98 C:12 11.15 -6.84 C:11 9.94 -7.56 C:23 16.65 -6.40 C:15 13.74 -9.40 C:19 8.72 -8.27 O 19.15 -6.25 O 16.16 -4.18 C:3 6.21 -11.14 C:16 14.60 -8.27 C:20 14.20 -5.78 C:22 15.60 -5.47 C:24 17.87 -5.69 C:25 17.57 -4.31 C:4 7.45 -11.86 C:5 8.70 -11.14 C:8 11.15 -9.68 C:17 13.74 -7.12 C:13 12.40 -7.56 C:14 12.40 -8.98 C:10 8.70 -9.68 C:9 9.94 -8.98 31 1 -2 32 2 -1 33 3 -1 26 4 -2 29 5 -2 29 6 -1 30 7 -2 30 8 -1 34 9 -1 35 10 -2 24 11 -1 25 12 -1 13 16 1 13 24 1 14 15 1 14 31 1 15 32 1 16 36 1 17 18 1 17 34 1 18 37 1 19 27 1 19 28 1 20 25 1 20 35 1 36 21 -1 37 21 -1 28 22 -1 27 23 -2 23 29 1 24 30 1 25 33 1 26 27 1 26 33 1 28 29 1 30 31 1 31 36 1 32 35 1 32 37 1 33 34 1 34 35 1 36 37 1', '37 42 H 8.70 -12.38 H 11.15 -8.48 H 13.59 -8.01 C 13.26 -4.70 C 18.49 -3.26 C 17.26 -2.94 C 8.28 -13.04 C 6.70 -13.08 C 12.43 -6.14 C 12.43 -10.39 O 5.01 -11.85 O 16.00 -8.29 C 6.21 -9.68 C 9.94 -11.86 C 11.15 -11.14 C 7.45 -8.98 C 11.15 -6.84 C 9.94 -7.56 C 16.65 -6.40 C 13.74 -9.40 C 8.72 -8.27 O 19.15 -6.25 O 16.16 -4.18 C 6.21 -11.14 C 14.60 -8.27 C 14.20 -5.78 C 15.60 -5.47 C 17.87 -5.69 C 17.57 -4.31 C 7.45 -11.86 C 8.70 -11.14 C 11.15 -9.68 C 13.74 -7.12 C 12.40 -7.56 C 12.40 -8.98 C 8.70 -9.68 C 9.94 -8.98 31 1 -2 32 2 -1 33 3 -1 26 4 -2 29 5 -2 29 6 -1 30 7 -2 30 8 -1 34 9 -1 35 10 -2 24 11 -1 25 12 -1 13 16 1 13 24 1 14 15 1 14 31 1 15 32 1 16 36 1 17 18 1 17 34 1 18 37 1 19 27 1 19 28 1 20 25 1 20 35 1 36 21 -1 37 21 -1 28 22 -1 27 23 -2 23 29 1 24 30 1 25 33 1 26 27 1 26 33 1 28 29 1 30 31 1 31 36 1 32 35 1 32 37 1 33 34 1 34 35 1 36 37 1', '37 42 H 8.70 -12.38 H 11.15 -8.48 H 13.59 -8.01 C:17 13.26 -4.70 C:25 18.49 -3.26 C:22 17.26 -2.94 C:25 8.28 -13.04 C:14 6.70 -13.08 C:19 12.43 -6.14 C:20 12.43 -10.39 O 5.01 -11.85 O 16.00 -8.29 C:30 6.21 -9.68 C:21 9.94 -11.86 C:26 11.15 -11.14 C:32 7.45 -8.98 C:33 11.15 -6.84 C:26 9.94 -7.56 C:35 16.65 -6.40 C:46 13.74 -9.40 C:30 8.72 -8.27 O 19.15 -6.25 O 16.16 -4.18 C:79 6.21 -11.14 C:72 14.60 -8.27 C:32 14.20 -5.78 C:81 15.60 -5.47 C:78 17.87 -5.69 C:83 17.57 -4.31 C:40 7.45 -11.86 C:47 8.70 -11.14 C:48 11.15 -9.68 C:51 13.74 -7.12 C:47 12.40 -7.56 C:47 12.40 -8.98 C:26 8.70 -9.68 C:21 9.94 -8.98 31 1 -2 32 2 -1 33 3 -1 26 4 -2 29 5 -2 29 6 -1 30 7 -2 30 8 -1 34 9 -1 35 10 -2 24 11 -1 25 12 -1 13 16 1 13 24 1 14 15 1 14 31 1 15 32 1 16 36 1 17 18 1 17 34 1 18 37 1 19 27 1 19 28 1 20 25 1 20 35 1 36 21 -1 37 21 -1 28 22 -1 27 23 -2 23 29 1 24 30 1 25 33 1 26 27 1 26 33 1 28 29 1 30 31 1 31 36 1 32 35 1 32 37 1 33 34 1 34 35 1 36 37 1', 'C30H50O4', 474.342, 'C', 'ph_49_829_1a', 39, '', '', '1', 1, NULL, NULL),
(1932, 'Depressoside B', '9,19-cyclolanosta-22(R),25-epoxy-24(S)-acetoxy-3 beta,16 beta-diol-3-O-beta-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:5]47[CH2:6][CH2:7][C@@:8]3([H])[C@:14]2([CH3:30])[CH2:15][C@H:16](O)[C@@:17]([H])([C@H:20]([CH3:21])[C@H:22]1[CH2:23][C@H:24](O[C:24001]([CH3:24002])=O)[C@@:25]([CH3:27])([CH3:26])O1)[C@@:13]2([CH3:18])[CH2:12][CH2:11][C@:9]35[CH2:19][C@:10]45[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]6O)[C@@:4]7([CH3:29])[CH3:28]', '[H][C@@]47CC[C@@]3([H])[C@]2(C)C[C@H](O)[C@@]([H])([C@H](C)[C@H]1C[C@H](OC(C)=O)[C@@](C)(C)O1)[C@@]2(C)CC[C@]35C[C@]45CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@]7(C)C', 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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
(1941, '', 'Lanost-9(11)-en-3a,24S,25-triol', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:8]23[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]4([CH3:18])[C@@H:17]([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]34[CH3:30]', '[H][C@@]23CC[C@@]1([H])[C@](C)(C)[C@H](O)CC[C@]1(C)C2=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@]34C', '[H][C@@:47]23[CH2:27][CH2:25][C@@:42]1([H])[C@:37]([CH3:26])([CH3:14])[C@H:76](O)[CH2:21][CH2:31][C@:38]1([CH3:21])[C:149]2=[CH:115][CH2:32][C@:44]4([CH3:18])[C@@H:51]([C@H:36]([CH3:19])[CH2:34][CH2:29][C@H:80](O)[C:73]([CH3:27])([CH3:23])O)[CH2:28][CH2:34][C@@:47]34[CH3:28]', '35 38 C:28 14.49 -14.20 C:29 12.98 -14.15 C:30 18.75 -11.53 C:19 14.99 -9.38 H 17.50 -9.73 C:12 17.49 -7.96 C:2 12.54 -10.81 C:11 16.26 -8.67 C:6 16.26 -12.95 C:3 12.54 -12.26 C:1 13.76 -10.07 C:7 17.49 -12.26 C:13 18.73 -8.67 C:9 16.26 -10.07 C:5 14.99 -12.26 C:4 13.76 -12.95 C:14 18.73 -10.07 C:10 14.99 -10.81 C:8 17.49 -10.81 H 14.99 -13.33 C:15 20.05 -10.49 C:16 20.87 -9.38 C:17 20.05 -8.25 C:20 20.49 -6.91 C:22 21.88 -6.62 C:21 19.55 -5.84 C:23 22.81 -7.65 C:24 24.19 -7.36 C:25 25.12 -8.43 C:26 26.51 -8.12 C:27 24.69 -9.74 C:18 18.74 -7.27 O 24.63 -6.04 O 11.36 -12.99 O 26.04 -9.49 16 1 -2 16 2 -1 17 3 -2 18 4 -1 19 5 -1 6 8 1 6 13 1 7 10 1 7 11 1 8 14 2 9 12 1 9 15 1 10 16 1 11 18 1 12 19 1 13 17 1 14 18 1 14 19 1 15 16 1 15 18 1 17 19 1 15 20 -2 21 22 1 22 23 1 13 23 1 17 21 1 23 24 -1 24 25 1 24 26 -2 25 27 1 27 28 1 28 29 1 29 30 1 29 31 1 13 32 -1 28 33 -2 10 34 -2 29 35 1', '35 38 C 14.49 -14.20 C 12.98 -14.15 C 18.75 -11.53 C 14.99 -9.38 H 17.50 -9.73 C 17.49 -7.96 C 12.54 -10.81 C 16.26 -8.67 C 16.26 -12.95 C 12.54 -12.26 C 13.76 -10.07 C 17.49 -12.26 C 18.73 -8.67 C 16.26 -10.07 C 14.99 -12.26 C 13.76 -12.95 C 18.73 -10.07 C 14.99 -10.81 C 17.49 -10.81 H 14.99 -13.33 C 20.05 -10.49 C 20.87 -9.38 C 20.05 -8.25 C 20.49 -6.91 C 21.88 -6.62 C 19.55 -5.84 C 22.81 -7.65 C 24.19 -7.36 C 25.12 -8.43 C 26.51 -8.12 C 24.69 -9.74 C 18.74 -7.27 O 24.63 -6.04 O 11.36 -12.99 O 26.04 -9.49 16 1 -2 16 2 -1 17 3 -2 18 4 -1 19 5 -1 6 8 1 6 13 1 7 10 1 7 11 1 8 14 2 9 12 1 9 15 1 10 16 1 11 18 1 12 19 1 13 17 1 14 18 1 14 19 1 15 16 1 15 18 1 17 19 1 15 20 -2 21 22 1 22 23 1 13 23 1 17 21 1 23 24 -1 24 25 1 24 26 -2 25 27 1 27 28 1 28 29 1 29 30 1 29 31 1 13 32 -1 28 33 -2 10 34 -2 29 35 1', '35 38 C:14 14.49 -14.20 C:26 12.98 -14.15 C:28 18.75 -11.53 C:21 14.99 -9.38 H 17.50 -9.73 C:32 17.49 -7.96 C:21 12.54 -10.81 C:115 16.26 -8.67 C:25 16.26 -12.95 C:76 12.54 -12.26 C:31 13.76 -10.07 C:27 17.49 -12.26 C:44 18.73 -8.67 C:149 16.26 -10.07 C:42 14.99 -12.26 C:37 13.76 -12.95 C:47 18.73 -10.07 C:38 14.99 -10.81 C:47 17.49 -10.81 H 14.99 -13.33 C:34 20.05 -10.49 C:28 20.87 -9.38 C:51 20.05 -8.25 C:36 20.49 -6.91 C:34 21.88 -6.62 C:19 19.55 -5.84 C:29 22.81 -7.65 C:80 24.19 -7.36 C:73 25.12 -8.43 C:23 26.51 -8.12 C:27 24.69 -9.74 C:18 18.74 -7.27 O 24.63 -6.04 O 11.36 -12.99 O 26.04 -9.49 16 1 -2 16 2 -1 17 3 -2 18 4 -1 19 5 -1 6 8 1 6 13 1 7 10 1 7 11 1 8 14 2 9 12 1 9 15 1 10 16 1 11 18 1 12 19 1 13 17 1 14 18 1 14 19 1 15 16 1 15 18 1 17 19 1 15 20 -2 21 22 1 22 23 1 13 23 1 17 21 1 23 24 -1 24 25 1 24 26 -2 25 27 1 27 28 1 28 29 1 29 30 1 29 31 1 13 32 -1 28 33 -2 10 34 -2 29 35 1', 'C30H52O3', 460.335, 'C', 'ph_49_1761_14', 1691, '', '', '3', 1, NULL, NULL),
(1942, 'Prusianoside A', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]12[CH:7]=[CH:6][C@:5]67O[C@@:9]1([CH2:11][CH2:12][C@@:13]4([CH3:18])[C@@:14]2([CH3:30])[CH2:15][C@H:16](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[C@:17]4([H])[C@:20]5([CH3:21])[CH2:22][CH2:23][C@H:24]([C:25]([CH3:27])([CH3:26])O)O5)[CH2:19][C:10]6=[CH:1][C@@H:2](O)[C@H:3](O)[C@:4]7([CH3:28])[CH3:29]', '[H][C@@]12C=C[C@]67O[C@@]1(CC[C@@]4(C)[C@@]2(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]4([H])[C@]5(C)CC[C@H](C(C)(C)O)O5)CC6=C[C@@H](O)[C@H](O)[C@]7(C)C', '[H][C@@:50]12[CH:127]=[CH:136][C@:85]67O[C@@:80]1([CH2:35][CH2:32][C@@:47]4([CH3:19])[C@@:47]2([CH3:22])[CH2:47][C@H:85](O[C@@H:107]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]3O)[C@:60]4([H])[C@:88]5([CH3:26])[CH2:40][CH2:26][C@H:85]([C:73]([CH3:27])([CH3:26])O)O5)[CH2:47][C:148]6=[CH:113][C@@H:74](O)[C@H:82](O)[C@:38]7([CH3:22])[CH3:23]', '49 55 H 16.65 -11.08 H 19.07 -10.61 C:26 21.84 -4.42 C:27 23.44 -6.37 C:29 12.23 -15.65 C:28 13.79 -15.61 C:21 18.32 -8.08 C:18 17.92 -8.74 C:30 17.92 -12.97 O 27.33 -10.81 O 10.54 -11.55 O 23.73 -14.33 O 26.13 -12.91 O 21.30 -12.95 O 10.53 -14.43 O 23.32 -4.98 C:7 16.65 -13.72 C:6 15.44 -14.44 C:1 12.96 -11.58 C:106 26.11 -10.12 C:23 19.71 -6.12 C:22 18.87 -7.24 C:12 16.65 -9.44 C:11 15.44 -10.16 C:19 14.23 -10.87 C:15 19.22 -11.99 O 23.70 -10.14 O 21.28 -10.16 O 21.01 -7.98 O 15.53 -13.29 C:10 14.21 -12.27 C:2 11.74 -12.27 C:103 23.72 -12.93 C:104 24.92 -12.22 C:102 22.50 -12.24 C:3 11.74 -13.72 C:105 24.90 -10.83 C:101 22.49 -10.85 C:24 21.04 -6.58 C:16 20.08 -10.87 C:25 22.17 -5.77 C:4 12.96 -14.44 C:8 16.65 -12.27 C:20 19.68 -8.39 C:13 17.89 -10.16 C:14 17.89 -11.58 C:17 19.22 -9.72 C:5 14.21 -13.72 C:9 15.44 -11.58 43 1 -1 47 2 -2 3 41 1 4 41 1 42 5 -1 42 6 -2 44 7 -1 45 8 -1 46 9 -2 10 20 1 32 11 -2 33 12 -2 34 13 -1 35 14 -1 36 15 -1 16 41 1 17 18 2 17 43 1 18 48 1 19 31 2 19 32 1 37 20 -2 21 22 1 21 39 1 44 22 1 23 24 1 23 45 1 24 49 1 25 31 1 25 49 1 26 40 1 26 46 1 27 37 1 27 38 1 38 28 -2 40 28 -1 29 39 1 29 44 1 48 30 -2 49 30 -2 31 48 1 32 36 1 33 34 1 33 35 1 34 37 1 35 38 1 36 42 1 39 41 -2 40 47 1 42 48 1 43 46 1 43 49 1 47 44 1 45 46 1 45 47 1', '49 55 H 16.65 -11.08 H 19.07 -10.61 C 21.84 -4.42 C 23.44 -6.37 C 12.23 -15.65 C 13.79 -15.61 C 18.32 -8.08 C 17.92 -8.74 C 17.92 -12.97 O 27.33 -10.81 O 10.54 -11.55 O 23.73 -14.33 O 26.13 -12.91 O 21.30 -12.95 O 10.53 -14.43 O 23.32 -4.98 C 16.65 -13.72 C 15.44 -14.44 C 12.96 -11.58 C 26.11 -10.12 C 19.71 -6.12 C 18.87 -7.24 C 16.65 -9.44 C 15.44 -10.16 C 14.23 -10.87 C 19.22 -11.99 O 23.70 -10.14 O 21.28 -10.16 O 21.01 -7.98 O 15.53 -13.29 C 14.21 -12.27 C 11.74 -12.27 C 23.72 -12.93 C 24.92 -12.22 C 22.50 -12.24 C 11.74 -13.72 C 24.90 -10.83 C 22.49 -10.85 C 21.04 -6.58 C 20.08 -10.87 C 22.17 -5.77 C 12.96 -14.44 C 16.65 -12.27 C 19.68 -8.39 C 17.89 -10.16 C 17.89 -11.58 C 19.22 -9.72 C 14.21 -13.72 C 15.44 -11.58 43 1 -1 47 2 -2 3 41 1 4 41 1 42 5 -1 42 6 -2 44 7 -1 45 8 -1 46 9 -2 10 20 1 32 11 -2 33 12 -2 34 13 -1 35 14 -1 36 15 -1 16 41 1 17 18 2 17 43 1 18 48 1 19 31 2 19 32 1 37 20 -2 21 22 1 21 39 1 44 22 1 23 24 1 23 45 1 24 49 1 25 31 1 25 49 1 26 40 1 26 46 1 27 37 1 27 38 1 38 28 -2 40 28 -1 29 39 1 29 44 1 48 30 -2 49 30 -2 31 48 1 32 36 1 33 34 1 33 35 1 34 37 1 35 38 1 36 42 1 39 41 -2 40 47 1 42 48 1 43 46 1 43 49 1 47 44 1 45 46 1 45 47 1', '49 55 H 16.65 -11.08 H 19.07 -10.61 C:26 21.84 -4.42 C:27 23.44 -6.37 C:23 12.23 -15.65 C:22 13.79 -15.61 C:26 18.32 -8.08 C:19 17.92 -8.74 C:22 17.92 -12.97 O 27.33 -10.81 O 10.54 -11.55 O 23.73 -14.33 O 26.13 -12.91 O 21.30 -12.95 O 10.53 -14.43 O 23.32 -4.98 C:127 16.65 -13.72 C:136 15.44 -14.44 C:113 12.96 -11.58 C:63 26.11 -10.12 C:26 19.71 -6.12 C:40 18.87 -7.24 C:32 16.65 -9.44 C:35 15.44 -10.16 C:47 14.23 -10.87 C:47 19.22 -11.99 O 23.70 -10.14 O 21.28 -10.16 O 21.01 -7.98 O 15.53 -13.29 C:148 14.21 -12.27 C:74 11.74 -12.27 C:79 23.72 -12.93 C:72 24.92 -12.22 C:76 22.50 -12.24 C:82 11.74 -13.72 C:78 24.90 -10.83 C:107 22.49 -10.85 C:85 21.04 -6.58 C:85 20.08 -10.87 C:73 22.17 -5.77 C:38 12.96 -14.44 C:50 16.65 -12.27 C:88 19.68 -8.39 C:47 17.89 -10.16 C:47 17.89 -11.58 C:60 19.22 -9.72 C:85 14.21 -13.72 C:80 15.44 -11.58 43 1 -1 47 2 -2 3 41 1 4 41 1 42 5 -1 42 6 -2 44 7 -1 45 8 -1 46 9 -2 10 20 1 32 11 -2 33 12 -2 34 13 -1 35 14 -1 36 15 -1 16 41 1 17 18 2 17 43 1 18 48 1 19 31 2 19 32 1 37 20 -2 21 22 1 21 39 1 44 22 1 23 24 1 23 45 1 24 49 1 25 31 1 25 49 1 26 40 1 26 46 1 27 37 1 27 38 1 38 28 -2 40 28 -1 29 39 1 29 44 1 48 30 -2 49 30 -2 31 48 1 32 36 1 33 34 1 33 35 1 34 37 1 35 38 1 36 42 1 39 41 -2 40 47 1 42 48 1 43 46 1 43 49 1 47 44 1 45 46 1 45 47 1', 'C36H56O11', 664.394, 'M', 'ttr_57_5961_1', 191, '', '', '1', 1, NULL, NULL),
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