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
(5816, 'Resibufogenin 12-O-beta-D-glucoside', '', 'Steroids', 'nor-Cholanes', 'Bufanolides', '[H][C@:5]67[CH2:6][CH2:7][C@:8]4([H])[C@:9]([H])([CH2:11][C@@H:12](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:13]5([CH3:18])[C@@:17]([H])([c:20]2[cH:22][cH:23][c:24](=O)o[cH:21]2)[CH2:16][C@H:15]3O[C@@:14]345)[C@@:10]6([CH3:19])[CH2:1][CH2:2][C@H:3](O)[CH2:4]7', '[H][C@]67CC[C@]4([H])[C@]([H])(C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]5(C)[C@@]([H])(c2ccc(=O)oc2)C[C@H]3O[C@@]345)[C@@]6(C)CC[C@H](O)C7', '[H][C@:36]67[CH2:26][CH2:20][C@:33]4([H])[C@:34]([H])([CH2:26][C@@H:81](O[C@@H:102]1O[C@H:77]([CH2:61]O)[C@@H:71](O)[C@H:77](O)[C@H:74]1O)[C@:50]5([CH3:12])[C@@:41]([H])([c:122]2[cH:148][cH:114][c:161](=O)o[cH:151]2)[CH2:32][C@H:60]3O[C@@:74]345)[C@@:35]6([CH3:24])[CH2:29][CH2:28][C@H:65](O)[CH2:33]7', '44 50 H 13.66 -17.06 H 18.67 -12.72 H 16.26 -13.30 H 15.02 -14.73 C:19 13.66 -12.94 C:18 17.55 -10.76 O 20.65 -6.42 O 14.87 -5.23 O 9.96 -16.69 O 11.35 -10.20 O 11.28 -7.43 O 13.78 -11.54 C:22 20.71 -10.10 C:23 21.15 -8.77 C:21 18.41 -9.34 C:106 13.70 -5.96 C:2 11.14 -14.41 C:6 14.99 -16.65 C:1 12.39 -13.66 C:7 16.25 -15.93 C:4 12.39 -16.65 C:16 19.74 -12.94 C:11 14.99 -12.22 O 14.98 -8.03 O 16.21 -10.08 O 17.56 -14.74 O 18.84 -8.02 C:20 19.34 -10.39 C:24 20.21 -7.75 C:3 11.14 -15.93 C:103 12.55 -9.48 C:104 12.55 -8.09 C:102 13.78 -10.15 C:105 13.70 -7.36 C:12 16.25 -11.47 C:15 18.89 -14.09 C:101 14.98 -9.41 C:5 13.66 -15.93 C:17 18.89 -11.76 C:8 16.25 -14.41 C:9 14.99 -13.66 C:10 13.66 -14.41 C:13 17.54 -12.22 C:14 17.54 -13.66 38 1 -1 39 2 -2 40 3 -1 41 4 -2 42 5 -1 43 6 -1 7 29 2 8 16 1 30 9 -1 31 10 -1 32 11 -2 33 12 -2 13 14 2 13 28 1 14 29 1 15 27 1 15 28 2 34 16 -1 17 19 1 17 30 1 18 20 1 18 38 1 19 42 1 20 40 1 21 30 1 21 38 1 22 36 1 22 39 1 23 35 1 23 41 1 24 34 1 24 37 1 35 25 -1 37 25 -1 36 26 -1 44 26 -1 27 29 1 28 39 1 31 32 1 31 33 1 32 34 1 33 37 1 35 43 1 36 44 1 38 42 1 39 43 1 40 41 1 40 44 1 41 42 1 43 44 1', '44 50 H 13.66 -17.06 H 18.67 -12.72 H 16.26 -13.30 H 15.02 -14.73 C 13.66 -12.94 C 17.55 -10.76 O 20.65 -6.42 O 14.87 -5.23 O 9.96 -16.69 O 11.35 -10.20 O 11.28 -7.43 O 13.78 -11.54 C 20.71 -10.10 C 21.15 -8.77 C 18.41 -9.34 C 13.70 -5.96 C 11.14 -14.41 C 14.99 -16.65 C 12.39 -13.66 C 16.25 -15.93 C 12.39 -16.65 C 19.74 -12.94 C 14.99 -12.22 O 14.98 -8.03 O 16.21 -10.08 O 17.56 -14.74 O 18.84 -8.02 C 19.34 -10.39 C 20.21 -7.75 C 11.14 -15.93 C 12.55 -9.48 C 12.55 -8.09 C 13.78 -10.15 C 13.70 -7.36 C 16.25 -11.47 C 18.89 -14.09 C 14.98 -9.41 C 13.66 -15.93 C 18.89 -11.76 C 16.25 -14.41 C 14.99 -13.66 C 13.66 -14.41 C 17.54 -12.22 C 17.54 -13.66 38 1 -1 39 2 -2 40 3 -1 41 4 -2 42 5 -1 43 6 -1 7 29 2 8 16 1 30 9 -1 31 10 -1 32 11 -2 33 12 -2 13 14 2 13 28 1 14 29 1 15 27 1 15 28 2 34 16 -1 17 19 1 17 30 1 18 20 1 18 38 1 19 42 1 20 40 1 21 30 1 21 38 1 22 36 1 22 39 1 23 35 1 23 41 1 24 34 1 24 37 1 35 25 -1 37 25 -1 36 26 -1 44 26 -1 27 29 1 28 39 1 31 32 1 31 33 1 32 34 1 33 37 1 35 43 1 36 44 1 38 42 1 39 43 1 40 41 1 40 44 1 41 42 1 43 44 1', '44 50 H 13.66 -17.06 H 18.67 -12.72 H 16.26 -13.30 H 15.02 -14.73 C:24 13.66 -12.94 C:12 17.55 -10.76 O 20.65 -6.42 O 14.87 -5.23 O 9.96 -16.69 O 11.35 -10.20 O 11.28 -7.43 O 13.78 -11.54 C:148 20.71 -10.10 C:114 21.15 -8.77 C:151 18.41 -9.34 C:61 13.70 -5.96 C:28 11.14 -14.41 C:26 14.99 -16.65 C:29 12.39 -13.66 C:20 16.25 -15.93 C:33 12.39 -16.65 C:32 19.74 -12.94 C:26 14.99 -12.22 O 14.98 -8.03 O 16.21 -10.08 O 17.56 -14.74 O 18.84 -8.02 C:122 19.34 -10.39 C:161 20.21 -7.75 C:65 11.14 -15.93 C:77 12.55 -9.48 C:71 12.55 -8.09 C:74 13.78 -10.15 C:77 13.70 -7.36 C:81 16.25 -11.47 C:60 18.89 -14.09 C:102 14.98 -9.41 C:36 13.66 -15.93 C:41 18.89 -11.76 C:33 16.25 -14.41 C:34 14.99 -13.66 C:35 13.66 -14.41 C:50 17.54 -12.22 C:74 17.54 -13.66 38 1 -1 39 2 -2 40 3 -1 41 4 -2 42 5 -1 43 6 -1 7 29 2 8 16 1 30 9 -1 31 10 -1 32 11 -2 33 12 -2 13 14 2 13 28 1 14 29 1 15 27 1 15 28 2 34 16 -1 17 19 1 17 30 1 18 20 1 18 38 1 19 42 1 20 40 1 21 30 1 21 38 1 22 36 1 22 39 1 23 35 1 23 41 1 24 34 1 24 37 1 35 25 -1 37 25 -1 36 26 -1 44 26 -1 27 29 1 28 39 1 31 32 1 31 33 1 32 34 1 33 37 1 35 43 1 36 44 1 38 42 1 39 43 1 40 41 1 40 44 1 41 42 1 43 44 1', 'C30H42O10', 562.347, 'D', 'pm06_346_12', 2553, '', '', '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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C:73 8.68 -10.71 C:79 11.38 -17.32 C:79 23.32 -7.90 C:72 10.19 -18.03 C:71 23.32 -9.31 C:75 11.38 -15.94 C:74 22.12 -7.19 C:79 8.93 -17.34 C:79 22.09 -9.99 C:105 10.16 -15.25 C:96 20.92 -7.88 C:73 16.04 -5.03 C:43 14.80 -8.58 C:48 12.36 -8.58 C:49 11.14 -10.71 C:43 9.90 -11.43 C:54 16.04 -6.44 C:41 13.60 -9.32 C:37 11.14 -9.32 C:49 17.26 -7.17 54 1 -2 55 2 -2 57 3 -1 40 4 -2 52 5 -1 53 6 -2 56 7 -1 58 8 -1 59 9 -1 10 38 2 11 22 1 12 23 1 41 13 -1 42 14 -1 43 15 -1 44 16 -2 45 17 -2 46 18 -2 47 19 -2 52 20 -2 21 26 1 21 39 2 48 22 -1 49 23 -1 24 28 1 24 40 1 25 27 1 25 41 1 26 54 1 27 59 1 28 60 1 29 32 1 29 53 1 30 31 1 30 55 1 31 58 1 32 60 1 33 34 1 56 33 -2 50 34 -1 35 38 1 51 35 -1 36 48 1 36 50 1 37 49 1 37 51 1 60 38 -1 39 53 1 39 57 1 40 52 1 41 56 1 42 44 1 42 46 1 43 45 1 43 47 1 44 48 1 45 49 1 46 50 1 47 51 1 52 57 1 53 58 1 54 58 1 54 59 1 55 56 1 55 59 1 57 60 1', 'C42H68O15', 812.464, 'P', 'ph_33_1475_8', 98, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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O 8.27 -12.07 C:106 7.14 -9.95 C:28 20.49 -10.65 C:13 16.80 -9.96 C:20 19.28 -7.09 C:203 25.32 -10.69 C:103 5.84 -13.43 C:204 25.32 -12.09 C:202 24.15 -9.98 C:102 7.05 -14.15 C:104 5.84 -12.03 C:205 24.12 -12.78 C:3 10.68 -13.50 C:201 22.93 -10.67 C:101 8.27 -13.47 C:105 7.09 -11.35 C:19 18.04 -7.81 C:14 16.80 -11.38 C:5 13.14 -13.50 C:9 14.35 -11.38 C:4 11.90 -14.22 C:18 18.04 -9.24 C:8 15.60 -12.10 C:10 13.14 -12.10 C:17 19.28 -9.96 55 1 -2 56 2 -2 58 3 -1 41 4 -2 53 5 -1 54 6 -2 57 7 -1 59 8 -1 60 9 -1 10 38 2 11 39 2 12 23 1 13 24 1 14 38 1 42 15 -1 43 16 -1 44 17 -2 45 18 -2 46 19 -2 47 20 -2 53 21 -2 22 27 1 22 40 2 48 23 -1 57 24 -2 25 31 1 25 41 1 26 30 1 26 49 1 27 56 1 28 33 1 28 54 1 29 32 1 29 55 1 30 60 1 31 61 1 32 59 1 33 61 1 34 39 1 50 34 -1 35 48 1 35 50 1 49 36 -1 51 36 -1 37 51 1 37 52 1 52 38 -1 61 39 -1 40 54 1 40 58 1 41 53 1 42 44 1 42 45 1 43 46 1 43 47 1 44 48 1 45 50 1 46 51 1 47 52 1 49 57 1 53 58 1 54 59 1 55 57 1 55 60 1 56 59 1 56 60 1 58 61 1', '61 67 H 13.14 -14.63 H 14.35 -12.41 H 18.04 -10.46 C 19.27 -5.67 C 17.32 -6.62 C 16.80 -12.78 C 10.98 -15.40 C 15.60 -10.67 C 13.14 -10.67 O 8.38 -9.29 O 20.49 -12.05 O 22.90 -14.87 O 12.15 -16.66 O 5.95 -9.21 O 26.57 -9.99 O 4.63 -14.12 O 26.55 -12.79 O 24.17 -8.58 O 7.06 -15.55 O 4.62 -11.34 O 16.65 -7.84 C 15.60 -9.24 C 24.11 -14.18 C 12.73 -15.38 C 20.55 -7.81 C 10.68 -12.10 C 14.35 -9.96 C 18.04 -12.10 C 14.35 -14.22 C 11.90 -11.38 C 20.55 -9.24 C 15.60 -13.50 C 19.28 -11.38 O 21.72 -9.96 O 22.93 -12.07 O 9.47 -14.18 O 8.27 -12.07 C 7.14 -9.95 C 20.49 -10.65 C 16.80 -9.96 C 19.28 -7.09 C 25.32 -10.69 C 5.84 -13.43 C 25.32 -12.09 C 24.15 -9.98 C 7.05 -14.15 C 5.84 -12.03 C 24.12 -12.78 C 10.68 -13.50 C 22.93 -10.67 C 8.27 -13.47 C 7.09 -11.35 C 18.04 -7.81 C 16.80 -11.38 C 13.14 -13.50 C 14.35 -11.38 C 11.90 -14.22 C 18.04 -9.24 C 15.60 -12.10 C 13.14 -12.10 C 19.28 -9.96 55 1 -2 56 2 -2 58 3 -1 41 4 -2 53 5 -1 54 6 -2 57 7 -1 59 8 -1 60 9 -1 10 38 2 11 39 2 12 23 1 13 24 1 14 38 1 42 15 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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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
(5896, 'Salasone A', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][C:15](=O)[C@:14]45[CH2:26]O', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@@](C)(C)CC[C@]3(C)CC(=O)[C@]45CO', '[H][C@@:59]12[CH2:22][CH2:41][C:212](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:15])[CH2:41][CH2:21][C@@:45]4([H])[C@@:37]2([CH3:18])[CH2:34][CH2:31][C@@:42]5([CH3:20])[C@:44]3([H])[CH2:36][C@@:28]([CH3:35])([CH3:32])[CH2:33][CH2:39][C@:33]3([CH3:33])[CH2:54][C:212](=O)[C@:60]45[CH2:61]O', '36 40 H 13.73 -11.43 H 16.21 -11.43 H 18.66 -10.75 C:23 12.52 -15.99 C:29 20.68 -6.30 C:30 19.00 -6.35 C:28 19.88 -8.92 C:24 13.73 -15.29 C:25 14.98 -13.16 C:27 17.43 -8.92 O 10.09 -14.53 O 18.62 -13.55 O 18.61 -14.72 C:26 17.42 -13.99 C:2 11.30 -12.44 C:21 21.09 -8.20 C:22 21.09 -9.63 C:1 12.52 -11.75 C:7 16.21 -13.86 C:6 14.98 -14.57 C:11 14.98 -10.32 C:12 16.21 -9.63 C:16 19.88 -11.75 C:19 18.66 -8.20 C:3 11.30 -13.86 C:15 18.66 -12.44 C:4 12.52 -14.57 C:20 19.88 -7.49 C:17 19.88 -10.32 C:10 13.73 -12.44 C:8 16.21 -12.44 C:18 18.66 -9.63 C:5 13.73 -13.86 C:9 14.98 -11.75 C:13 17.43 -10.32 C:14 17.43 -11.75 30 1 -2 31 2 -2 32 3 -1 27 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -1 35 10 -2 11 25 2 12 26 2 13 14 1 36 14 -1 15 18 1 15 25 1 16 17 1 16 28 1 17 29 1 18 30 1 19 20 1 19 31 1 20 33 1 21 22 1 21 34 1 22 35 1 23 26 1 23 29 1 24 28 1 24 32 1 25 27 1 26 36 1 27 33 1 29 32 1 30 33 1 30 34 1 31 34 1 31 36 1 32 35 1 35 36 1', '36 40 H 13.73 -11.43 H 16.21 -11.43 H 18.66 -10.75 C 12.52 -15.99 C 20.68 -6.30 C 19.00 -6.35 C 19.88 -8.92 C 13.73 -15.29 C 14.98 -13.16 C 17.43 -8.92 O 10.09 -14.53 O 18.62 -13.55 O 18.61 -14.72 C 17.42 -13.99 C 11.30 -12.44 C 21.09 -8.20 C 21.09 -9.63 C 12.52 -11.75 C 16.21 -13.86 C 14.98 -14.57 C 14.98 -10.32 C 16.21 -9.63 C 19.88 -11.75 C 18.66 -8.20 C 11.30 -13.86 C 18.66 -12.44 C 12.52 -14.57 C 19.88 -7.49 C 19.88 -10.32 C 13.73 -12.44 C 16.21 -12.44 C 18.66 -9.63 C 13.73 -13.86 C 14.98 -11.75 C 17.43 -10.32 C 17.43 -11.75 30 1 -2 31 2 -2 32 3 -1 27 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -1 35 10 -2 11 25 2 12 26 2 13 14 1 36 14 -1 15 18 1 15 25 1 16 17 1 16 28 1 17 29 1 18 30 1 19 20 1 19 31 1 20 33 1 21 22 1 21 34 1 22 35 1 23 26 1 23 29 1 24 28 1 24 32 1 25 27 1 26 36 1 27 33 1 29 32 1 30 33 1 30 34 1 31 34 1 31 36 1 32 35 1 35 36 1', '36 40 H 13.73 -11.43 H 16.21 -11.43 H 18.66 -10.75 C:7 12.52 -15.99 C:35 20.68 -6.30 C:32 19.00 -6.35 C:33 19.88 -8.92 C:15 13.73 -15.29 C:18 14.98 -13.16 C:20 17.43 -8.92 O 10.09 -14.53 O 18.62 -13.55 O 18.61 -14.72 C:61 17.42 -13.99 C:41 11.30 -12.44 C:33 21.09 -8.20 C:39 21.09 -9.63 C:22 12.52 -11.75 C:21 16.21 -13.86 C:41 14.98 -14.57 C:34 14.98 -10.32 C:31 16.21 -9.63 C:54 19.88 -11.75 C:36 18.66 -8.20 C:212 11.30 -13.86 C:212 18.66 -12.44 C:58 12.52 -14.57 C:28 19.88 -7.49 C:33 19.88 -10.32 C:59 13.73 -12.44 C:45 16.21 -12.44 C:44 18.66 -9.63 C:42 13.73 -13.86 C:37 14.98 -11.75 C:42 17.43 -10.32 C:60 17.43 -11.75 30 1 -2 31 2 -2 32 3 -1 27 4 -1 28 5 -2 28 6 -1 29 7 -1 33 8 -1 34 9 -1 35 10 -2 11 25 2 12 26 2 13 14 1 36 14 -1 15 18 1 15 25 1 16 17 1 16 28 1 17 29 1 18 30 1 19 20 1 19 31 1 20 33 1 21 22 1 21 34 1 22 35 1 23 26 1 23 29 1 24 28 1 24 32 1 25 27 1 26 36 1 27 33 1 29 32 1 30 33 1 30 34 1 31 34 1 31 36 1 32 35 1 35 36 1', 'C30H48O3', 456.343, 'C', 'np_03_1191_1', 1561, 'Intercambiados 26 y 27 en publicacion', '', '1', 1, NULL, NULL),
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17.83 -11.56 C:37 20.27 -7.32 C:69 12.91 -14.37 C:43 17.83 -7.29 C:35 14.13 -9.46 C:33 14.13 -13.69 O 15.38 -6.88 O 14.15 -14.99 O 21.49 -9.44 O 16.57 -13.68 O 14.54 -7.62 O 10.46 -13.52 O 10.87 -9.71 C:139 19.04 -6.61 C:172 14.15 -16.39 C:172 21.49 -10.84 C:171 16.57 -15.06 C:171 13.15 -7.77 C:170 9.86 -12.28 C:174 16.59 -7.58 C:78 11.83 -13.83 C:70 20.27 -8.74 C:70 15.37 -12.99 C:76 15.37 -8.74 C:58 10.46 -11.03 C:54 11.83 -10.72 C:52 15.37 -11.56 C:56 12.91 -11.56 C:44 19.04 -9.46 C:49 16.59 -10.85 C:39 14.13 -10.85 C:43 12.91 -12.99 C:81 17.83 -8.74 C:60 16.59 -9.46 47 1 -2 48 2 -2 3 34 2 4 27 1 5 35 1 6 36 1 7 37 1 8 38 1 41 9 -1 49 10 -1 50 11 -1 51 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 18 40 2 53 19 -1 20 21 1 20 49 1 21 50 1 22 34 1 22 42 1 23 28 1 52 23 -1 24 34 1 24 53 1 25 44 1 25 51 1 26 43 1 26 52 1 27 40 1 28 35 1 29 36 1 42 29 -1 30 37 1 43 30 -2 31 38 1 44 31 -2 32 39 1 32 41 1 45 33 -1 46 33 -1 39 45 1 54 40 -2 41 52 1 42 49 1 43 47 1 44 54 1 45 46 1 46 48 1 47 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(5908, 'Galphimidin', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@H:4]([CH3:23])[C@@:5]1([CH2:24]O[C:24001]([CH3:24002])=O)[C@H:6](O)[C@@H:7](O)[C@@:8]3([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@:13]5(O)[C@:14]3([CH3:26])[CH2:15][CH2:16][C@@:17]4([CH3:28])[C@@H:22]([C:27](=O)O[CH3:27001])[CH2:21][C:20](=[CH2:29])[CH2:19][C@:18]45O', '[H][C@@]12CC[C@H](OC(C)=O)[C@H](C)[C@@]1(COC(C)=O)[C@H](O)[C@@H](O)[C@@]3([H])[C@@]2(C)CC[C@]5(O)[C@]3(C)CC[C@@]4(C)[C@@H](C(=O)OC)CC(=C)C[C@]45O', '[H][C@@:59]12[CH2:16][CH2:32][C@H:75](O[C:170]([CH3:21])=O)[C@H:49]([CH3:17])[C@@:45]1([CH2:65]O[C:171]([CH3:21])=O)[C@H:86](O)[C@@H:73](O)[C@@:50]3([H])[C@@:38]2([CH3:23])[CH2:30][CH2:30][C@:80]5(O)[C@:44]3([CH3:20])[CH2:40][CH2:25][C@@:42]4([CH3:23])[C@@H:53]([C:175](=O)O[CH3:51])[CH2:33][C:144](=[CH2:110])[CH2:45][C@:80]45O', '46 50 H 13.12 -10.46 H 15.59 -10.46 C:29 19.27 -5.09 C:27001 24.13 -9.37 C:24002 15.49 -17.16 C:3002 7.03 -13.61 C:23 11.89 -15.05 C:28 19.28 -7.91 C:25 14.36 -12.21 C:26 16.87 -12.21 O 13.10 -17.15 O 8.26 -11.52 O 21.71 -10.75 O 16.81 -13.61 O 15.57 -14.32 O 16.82 -7.91 O 18.06 -10.02 C:2 10.67 -11.49 C:1 11.89 -10.78 C:16 19.28 -10.78 C:15 18.06 -11.49 C:11 14.36 -9.35 C:12 15.59 -8.63 C:21 20.51 -7.19 C:24 13.12 -14.34 C:19 18.06 -7.19 O 22.93 -8.65 O 14.31 -15.06 O 9.45 -13.61 C:20 19.28 -6.49 C:24001 14.30 -16.45 C:3001 8.25 -12.91 C:27 21.71 -9.35 C:4 11.89 -13.63 C:3 10.67 -12.91 C:22 20.51 -8.63 C:7 15.59 -12.91 C:6 14.36 -13.63 C:10 13.12 -11.49 C:8 15.59 -11.49 C:17 19.28 -9.35 C:9 14.36 -10.78 C:14 16.82 -10.78 C:13 16.82 -9.35 C:18 18.06 -8.63 C:5 13.12 -12.91 39 1 -2 40 2 -2 3 30 2 4 27 1 5 31 1 6 32 1 34 7 -1 41 8 -1 42 9 -1 43 10 -1 11 31 2 12 32 2 13 33 2 37 14 -2 38 15 -1 44 16 -2 45 17 -1 18 19 1 18 35 1 19 39 1 20 21 1 20 41 1 21 43 1 22 23 1 22 42 1 23 44 1 24 30 1 24 36 1 25 28 1 46 25 -1 26 30 1 26 45 1 27 33 1 28 31 1 29 32 1 35 29 -1 36 33 -2 34 35 1 34 46 1 36 41 1 37 38 1 37 40 1 38 46 1 39 42 1 39 46 1 40 42 1 40 43 1 41 45 1 43 44 1 44 45 1', '46 50 H 13.12 -10.46 H 15.59 -10.46 C 19.27 -5.09 C 24.13 -9.37 C 15.49 -17.16 C 7.03 -13.61 C 11.89 -15.05 C 19.28 -7.91 C 14.36 -12.21 C 16.87 -12.21 O 13.10 -17.15 O 8.26 -11.52 O 21.71 -10.75 O 16.81 -13.61 O 15.57 -14.32 O 16.82 -7.91 O 18.06 -10.02 C 10.67 -11.49 C 11.89 -10.78 C 19.28 -10.78 C 18.06 -11.49 C 14.36 -9.35 C 15.59 -8.63 C 20.51 -7.19 C 13.12 -14.34 C 18.06 -7.19 O 22.93 -8.65 O 14.31 -15.06 O 9.45 -13.61 C 19.28 -6.49 C 14.30 -16.45 C 8.25 -12.91 C 21.71 -9.35 C 11.89 -13.63 C 10.67 -12.91 C 20.51 -8.63 C 15.59 -12.91 C 14.36 -13.63 C 13.12 -11.49 C 15.59 -11.49 C 19.28 -9.35 C 14.36 -10.78 C 16.82 -10.78 C 16.82 -9.35 C 18.06 -8.63 C 13.12 -12.91 39 1 -2 40 2 -2 3 30 2 4 27 1 5 31 1 6 32 1 34 7 -1 41 8 -1 42 9 -1 43 10 -1 11 31 2 12 32 2 13 33 2 37 14 -2 38 15 -1 44 16 -2 45 17 -1 18 19 1 18 35 1 19 39 1 20 21 1 20 41 1 21 43 1 22 23 1 22 42 1 23 44 1 24 30 1 24 36 1 25 28 1 46 25 -1 26 30 1 26 45 1 27 33 1 28 31 1 29 32 1 35 29 -1 36 33 -2 34 35 1 34 46 1 36 41 1 37 38 1 37 40 1 38 46 1 39 42 1 39 46 1 40 42 1 40 43 1 41 45 1 43 44 1 44 45 1', '46 50 H 13.12 -10.46 H 15.59 -10.46 C:110 19.27 -5.09 C:51 24.13 -9.37 C:21 15.49 -17.16 C:21 7.03 -13.61 C:17 11.89 -15.05 C:23 19.28 -7.91 C:23 14.36 -12.21 C:20 16.87 -12.21 O 13.10 -17.15 O 8.26 -11.52 O 21.71 -10.75 O 16.81 -13.61 O 15.57 -14.32 O 16.82 -7.91 O 18.06 -10.02 C:32 10.67 -11.49 C:16 11.89 -10.78 C:25 19.28 -10.78 C:40 18.06 -11.49 C:30 14.36 -9.35 C:30 15.59 -8.63 C:33 20.51 -7.19 C:65 13.12 -14.34 C:45 18.06 -7.19 O 22.93 -8.65 O 14.31 -15.06 O 9.45 -13.61 C:144 19.28 -6.49 C:171 14.30 -16.45 C:170 8.25 -12.91 C:175 21.71 -9.35 C:49 11.89 -13.63 C:75 10.67 -12.91 C:53 20.51 -8.63 C:73 15.59 -12.91 C:86 14.36 -13.63 C:59 13.12 -11.49 C:50 15.59 -11.49 C:42 19.28 -9.35 C:38 14.36 -10.78 C:44 16.82 -10.78 C:80 16.82 -9.35 C:80 18.06 -8.63 C:45 13.12 -12.91 39 1 -2 40 2 -2 3 30 2 4 27 1 5 31 1 6 32 1 34 7 -1 41 8 -1 42 9 -1 43 10 -1 11 31 2 12 32 2 13 33 2 37 14 -2 38 15 -1 44 16 -2 45 17 -1 18 19 1 18 35 1 19 39 1 20 21 1 20 41 1 21 43 1 22 23 1 22 42 1 23 44 1 24 30 1 24 36 1 25 28 1 46 25 -1 26 30 1 26 45 1 27 33 1 28 31 1 29 32 1 35 29 -1 36 33 -2 34 35 1 34 46 1 36 41 1 37 38 1 37 40 1 38 46 1 39 42 1 39 46 1 40 42 1 40 43 1 41 45 1 43 44 1 44 45 1', 'C34H52O10', 620.374, 'C', 'np02_1457_4', 482, 'Dan mal la seÒal del CO-27 (51 ppm)', '', '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
(5909, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C:14]([CH3:27])=[C:13]2[CH:12]=[CH:11][C:9]3=[C:8]([CH3:26])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:25]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)OC)CCC(C)=C2C=CC3=C(C)CC[C@@]4([H])[C@@](C)(C)[C@@H](O)CC[C@]34C', '[H][C@@:33]12[CH2:42][C@@:31]([CH3:24])([CH3:33])[CH2:34][CH2:32][C@:46]1([C:178](=O)O[CH3:52])[CH2:23][CH2:34][C:130]([CH3:19])=[C:133]2[CH:131]=[CH:123][C:142]3=[C:127]([CH3:21])[CH2:31][CH2:19][C@@:51]4([H])[C@@:39]([CH3:28])([CH3:16])[C@@H:79](O)[CH2:28][CH2:37][C@:38]34[CH3:20]', '36 39 H 16.20 -10.44 H 14.88 -16.90 C:28001 17.41 -4.50 C:27 19.86 -10.14 C:26 18.63 -13.66 C:30 13.40 -10.78 C:29 12.40 -9.07 C:23 14.37 -17.79 C:24 12.88 -17.73 C:25 14.88 -12.94 O 14.98 -5.91 O 11.25 -16.57 C:12 17.41 -11.53 C:11 16.17 -12.21 C:7 17.41 -15.83 C:15 18.64 -8.02 C:2 12.44 -14.37 C:6 16.17 -16.53 C:16 17.41 -7.33 C:1 13.65 -13.63 C:21 13.77 -8.02 C:22 14.98 -7.33 C:19 14.98 -10.14 O 17.41 -5.91 C:14 18.64 -9.43 C:8 17.41 -14.37 C:28 16.20 -6.62 C:13 17.41 -10.14 C:9 16.17 -13.63 C:3 12.44 -15.83 C:20 13.77 -9.43 C:4 13.65 -16.53 C:18 16.20 -9.43 C:10 14.88 -14.37 C:5 14.88 -15.83 C:17 16.20 -8.02 33 1 -1 35 2 -2 3 24 1 4 25 1 5 26 1 31 6 -2 31 7 -1 32 8 -2 32 9 -1 34 10 -1 11 27 2 30 12 -1 13 14 2 13 28 1 14 29 1 15 18 1 15 26 1 16 19 1 16 25 1 17 20 1 17 30 1 18 35 1 19 36 1 20 34 1 21 22 1 21 31 1 22 36 1 23 31 1 23 33 1 24 27 1 25 28 2 26 29 2 36 27 -1 28 33 1 29 34 1 30 32 1 32 35 1 33 36 1 34 35 1', '36 39 H 16.20 -10.44 H 14.88 -16.90 C 17.41 -4.50 C 19.86 -10.14 C 18.63 -13.66 C 13.40 -10.78 C 12.40 -9.07 C 14.37 -17.79 C 12.88 -17.73 C 14.88 -12.94 O 14.98 -5.91 O 11.25 -16.57 C 17.41 -11.53 C 16.17 -12.21 C 17.41 -15.83 C 18.64 -8.02 C 12.44 -14.37 C 16.17 -16.53 C 17.41 -7.33 C 13.65 -13.63 C 13.77 -8.02 C 14.98 -7.33 C 14.98 -10.14 O 17.41 -5.91 C 18.64 -9.43 C 17.41 -14.37 C 16.20 -6.62 C 17.41 -10.14 C 16.17 -13.63 C 12.44 -15.83 C 13.77 -9.43 C 13.65 -16.53 C 16.20 -9.43 C 14.88 -14.37 C 14.88 -15.83 C 16.20 -8.02 33 1 -1 35 2 -2 3 24 1 4 25 1 5 26 1 31 6 -2 31 7 -1 32 8 -2 32 9 -1 34 10 -1 11 27 2 30 12 -1 13 14 2 13 28 1 14 29 1 15 18 1 15 26 1 16 19 1 16 25 1 17 20 1 17 30 1 18 35 1 19 36 1 20 34 1 21 22 1 21 31 1 22 36 1 23 31 1 23 33 1 24 27 1 25 28 2 26 29 2 36 27 -1 28 33 1 29 34 1 30 32 1 32 35 1 33 36 1 34 35 1', '36 39 H 16.20 -10.44 H 14.88 -16.90 C:52 17.41 -4.50 C:19 19.86 -10.14 C:21 18.63 -13.66 C:24 13.40 -10.78 C:33 12.40 -9.07 C:28 14.37 -17.79 C:16 12.88 -17.73 C:20 14.88 -12.94 O 14.98 -5.91 O 11.25 -16.57 C:131 17.41 -11.53 C:123 16.17 -12.21 C:31 17.41 -15.83 C:34 18.64 -8.02 C:28 12.44 -14.37 C:19 16.17 -16.53 C:23 17.41 -7.33 C:37 13.65 -13.63 C:34 13.77 -8.02 C:32 14.98 -7.33 C:42 14.98 -10.14 O 17.41 -5.91 C:130 18.64 -9.43 C:127 17.41 -14.37 C:178 16.20 -6.62 C:133 17.41 -10.14 C:142 16.17 -13.63 C:79 12.44 -15.83 C:31 13.77 -9.43 C:39 13.65 -16.53 C:33 16.20 -9.43 C:38 14.88 -14.37 C:51 14.88 -15.83 C:46 16.20 -8.02 33 1 -1 35 2 -2 3 24 1 4 25 1 5 26 1 31 6 -2 31 7 -1 32 8 -2 32 9 -1 34 10 -1 11 27 2 30 12 -1 13 14 2 13 28 1 14 29 1 15 18 1 15 26 1 16 19 1 16 25 1 17 20 1 17 30 1 18 35 1 19 36 1 20 34 1 21 22 1 21 31 1 22 36 1 23 31 1 23 33 1 24 27 1 25 28 2 26 29 2 36 27 -1 28 33 1 29 34 1 30 32 1 32 35 1 33 36 1 34 35 1', 'C31H48O3', 468.346, 'C', 'trr_60_1491_34', 704, 'Disolvente C', '', '1', 1, NULL, NULL),
(5910, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C:14]([CH3:27])=[C:13]2[CH:12]=[CH:11][C:9]3=[C:8]([CH3:26])[CH2:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O)[C@H:2](O)[CH2:1][C@:10]34[CH3:25]', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)OC)CCC(C)=C2C=CC3=C(C)CC[C@@]4([H])[C@](C)(C)[C@@H](O)[C@H](O)C[C@]34C', '[H][C@@:33]12[CH2:45][C@:31]([CH3:33])([CH3:24])[CH2:34][CH2:32][C@:46]1([C:178](=O)O[CH3:52])[CH2:23][CH2:34][C:130]([CH3:19])=[C:132]2[CH:132]=[CH:123][C:141]3=[C:127]([CH3:22])[CH2:31][CH2:19][C@@:51]4([H])[C@:39]([CH3:17])([CH3:29])[C@@H:84](O)[C@H:70](O)[CH2:42][C@:39]34[CH3:21]', '37 40 H 16.25 -10.44 H 14.93 -16.89 C:28001 17.46 -4.50 C:27 19.91 -10.14 C:26 18.68 -13.66 C:29 12.45 -9.07 C:30 13.45 -10.78 C:24 12.93 -17.72 C:23 14.42 -17.78 C:25 14.93 -12.94 O 15.03 -5.91 O 11.28 -13.65 O 11.30 -16.56 C:12 17.46 -11.53 C:11 16.22 -12.21 C:7 17.46 -15.82 C:15 18.69 -8.02 C:21 13.82 -8.02 C:6 16.22 -16.52 C:16 17.46 -7.33 C:22 15.03 -7.33 C:1 13.70 -13.63 C:19 15.03 -10.14 O 17.46 -5.91 C:14 18.69 -9.43 C:8 17.46 -14.36 C:28 16.25 -6.62 C:13 17.46 -10.14 C:9 16.22 -13.63 C:2 12.49 -14.36 C:3 12.49 -15.82 C:20 13.82 -9.43 C:4 13.70 -16.52 C:18 16.25 -9.43 C:10 14.93 -14.36 C:5 14.93 -15.82 C:17 16.25 -8.02 34 1 -1 36 2 -2 3 24 1 4 25 1 5 26 1 32 6 -1 32 7 -2 33 8 -1 33 9 -2 35 10 -1 11 27 2 30 12 -2 31 13 -1 14 15 2 14 28 1 15 29 1 16 19 1 16 26 1 17 20 1 17 25 1 18 21 1 18 32 1 19 36 1 20 37 1 21 37 1 22 30 1 22 35 1 23 32 1 23 34 1 24 27 1 25 28 2 26 29 2 37 27 -1 28 34 1 29 35 1 30 31 1 31 33 1 33 36 1 34 37 1 35 36 1', '37 40 H 16.25 -10.44 H 14.93 -16.89 C 17.46 -4.50 C 19.91 -10.14 C 18.68 -13.66 C 12.45 -9.07 C 13.45 -10.78 C 12.93 -17.72 C 14.42 -17.78 C 14.93 -12.94 O 15.03 -5.91 O 11.28 -13.65 O 11.30 -16.56 C 17.46 -11.53 C 16.22 -12.21 C 17.46 -15.82 C 18.69 -8.02 C 13.82 -8.02 C 16.22 -16.52 C 17.46 -7.33 C 15.03 -7.33 C 13.70 -13.63 C 15.03 -10.14 O 17.46 -5.91 C 18.69 -9.43 C 17.46 -14.36 C 16.25 -6.62 C 17.46 -10.14 C 16.22 -13.63 C 12.49 -14.36 C 12.49 -15.82 C 13.82 -9.43 C 13.70 -16.52 C 16.25 -9.43 C 14.93 -14.36 C 14.93 -15.82 C 16.25 -8.02 34 1 -1 36 2 -2 3 24 1 4 25 1 5 26 1 32 6 -1 32 7 -2 33 8 -1 33 9 -2 35 10 -1 11 27 2 30 12 -2 31 13 -1 14 15 2 14 28 1 15 29 1 16 19 1 16 26 1 17 20 1 17 25 1 18 21 1 18 32 1 19 36 1 20 37 1 21 37 1 22 30 1 22 35 1 23 32 1 23 34 1 24 27 1 25 28 2 26 29 2 37 27 -1 28 34 1 29 35 1 30 31 1 31 33 1 33 36 1 34 37 1 35 36 1', '37 40 H 16.25 -10.44 H 14.93 -16.89 C:52 17.46 -4.50 C:19 19.91 -10.14 C:22 18.68 -13.66 C:33 12.45 -9.07 C:24 13.45 -10.78 C:17 12.93 -17.72 C:29 14.42 -17.78 C:21 14.93 -12.94 O 15.03 -5.91 O 11.28 -13.65 O 11.30 -16.56 C:132 17.46 -11.53 C:123 16.22 -12.21 C:31 17.46 -15.82 C:34 18.69 -8.02 C:34 13.82 -8.02 C:19 16.22 -16.52 C:23 17.46 -7.33 C:32 15.03 -7.33 C:42 13.70 -13.63 C:45 15.03 -10.14 O 17.46 -5.91 C:130 18.69 -9.43 C:127 17.46 -14.36 C:178 16.25 -6.62 C:132 17.46 -10.14 C:141 16.22 -13.63 C:70 12.49 -14.36 C:84 12.49 -15.82 C:31 13.82 -9.43 C:39 13.70 -16.52 C:33 16.25 -9.43 C:39 14.93 -14.36 C:51 14.93 -15.82 C:46 16.25 -8.02 34 1 -1 36 2 -2 3 24 1 4 25 1 5 26 1 32 6 -1 32 7 -2 33 8 -1 33 9 -2 35 10 -1 11 27 2 30 12 -2 31 13 -1 14 15 2 14 28 1 15 29 1 16 19 1 16 26 1 17 20 1 17 25 1 18 21 1 18 32 1 19 36 1 20 37 1 21 37 1 22 30 1 22 35 1 23 32 1 23 34 1 24 27 1 25 28 2 26 29 2 37 27 -1 28 34 1 29 35 1 30 31 1 31 33 1 33 36 1 34 37 1 35 36 1', 'C31H48O4', 484.345, 'C', 'trr_60_1491_35', 704, 'Disolvente C', '', '1', 1, NULL, NULL),
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