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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(2660, 'SchefSursoside D', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]67[CH2:11][CH:12]=[C:13]4[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]5([C:28](=O)O[C@@H:101]3O[C@H:105]([CH2:106]O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O[C@@H:301]1O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]1O)[C@H:203](O)[C@H:202]2O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@H:19]([CH3:29])[C@@:18]45[H])[C@:8]6([CH3:26])[CH2:7][CH2:6][C@:5]8([H])[C@:10]7([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]8([CH3:24])[C:23](=O)O', '[H][C@]67CC=C4[C@@](C)(CC[C@@]5(C(=O)O[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H](C)[C@H](C)[C@@]45[H])[C@]6(C)CC[C@]8([H])[C@]7(C)CC[C@@H](O)[C@@]8(C)C(=O)O', 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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
(2661, 'Schefileoside D', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]15[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O[C@@H:201]3O[C@H:205]([CH2:206]O)[C@@H:204](O[C@@H:301]2O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]2O)[C@H:203](O)[C@H:202]3O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[CH2:16][CH2:15][C@:14]6([CH3:27])[C:13]5=[CH:12][CH2:11][C@@:9]7([H])[C@@:8]6([CH3:26])[CH2:7][CH2:6][C@:5]8([H])[C@:10]7([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]8([CH3:24])[C:23](=O)O', '[H][C@@]15C[C@](C)(C)CC[C@]1(C(=O)O[C@@H]4O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]6(C)C5=CC[C@@]7([H])[C@@]6(C)CC[C@]8([H])[C@]7(C)CC[C@@H](O)[C@@]8(C)C(=O)O', 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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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(2676, 'saxifragifolin B', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]5%10[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]24O[CH2:28][C@@:17]1([CH2:22][CH2:21][C@:20]([CH3:29])([CH:30]=O)[CH2:19][C@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C@@H:101]8O[CH2:105][C@H:104](O[C@@H:301]6O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]6O[C@@H:401]7O[CH2:405][C@@H:404](O)[C@H:403](O)[C@H:402]7O)[C@H:103](O)[C@H:102]8O[C@@H:201]9O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]9O)[C@:4]%10([CH3:23])[CH3:24]', '[H][C@@]5%10CC[C@]3(C)[C@]([H])(CC[C@]24OC[C@@]1(CC[C@](C)(C=O)C[C@]12[H])[C@H](O)C[C@@]34C)[C@@]5(C)CC[C@H](O[C@@H]8OC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@]%10(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
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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:76 6.24 -5.89 C:77 2.80 -10.89 C:83 6.34 -8.68 C:76 5.22 -12.19 C:40 11.12 -8.55 C:45 17.30 -3.60 C:33 18.52 -4.28 C:40 18.52 -1.44 C:39 16.08 -5.68 C:43 14.85 -6.41 C:41 12.34 -6.41 C:52 12.34 -7.85 53 1 -1 59 2 -2 52 3 -1 52 4 -2 54 5 -1 55 6 -1 56 7 -2 57 8 -1 58 9 -1 10 35 2 11 36 2 12 35 1 13 36 1 14 37 1 40 15 -2 41 16 -2 42 17 -2 43 18 -1 44 19 -1 20 21 1 20 38 2 21 39 2 22 23 1 22 45 1 23 58 1 24 25 1 24 54 1 25 56 1 26 27 1 26 57 1 27 59 1 28 40 1 28 54 1 29 53 1 29 55 1 45 30 -1 46 30 -1 31 46 1 31 48 1 32 47 1 32 49 1 51 33 -2 47 34 -1 50 34 -2 48 35 -1 49 36 -1 55 37 -2 38 53 1 38 56 1 39 57 1 39 58 1 40 55 1 41 43 1 41 48 1 42 44 1 42 49 1 43 50 1 44 51 1 45 52 1 46 50 1 47 51 1 52 59 1 53 54 1 56 57 1 58 59 1', 'C42H64O15', 808.456, 'P', 'ph_36_139_12', 1688, '', '', '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
(2695, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][C:22](=O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]7([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]8([H])[C@@:4]([CH3:23])([CH2:24]O)[C@@H:3](O[C@@H:101]4O[C@H:105]([C:106](=O)O)[C@@H:104](O)[C@@H:103](O)[C@H:102]4O[C@@H:201]5O[C@H:205]([C:206](=O)O)[C@@H:204](O)[C@H:203](O)[C@H:202]5O[C@H:301]6O[C@H:305]([CH3:306])[C@@H:304](O)[C@H:303](O)[C@@H:302]6O)[CH2:2][CH2:1][C@:10]78[CH3:25]', '[H][C@@]12C[C@](C)(C(=O)O)CC(=O)[C@]1(C)CC[C@]3(C)C2=CC[C@@]7([H])[C@@]3(C)CC[C@@]8([H])[C@@](C)(CO)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]4O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@]78C', '[H][C@@:47]12[CH2:42][C@:45]([CH3:21])([C:179](=O)O)[CH2:46][C:214](=O)[C@:48]1([CH3:21])[CH2:27][CH2:25][C@:42]3([CH3:25])[C:141]2=[CH:123][CH2:24][C@@:48]7([H])[C@@:40]3([CH3:17])[CH2:33][CH2:19][C@@:57]8([H])[C@@:44]([CH3:23])([CH2:63]O)[C@@H:90](O[C@@H:102]4O[C@H:77]([C:170](=O)O)[C@@H:73](O)[C@@H:79](O)[C@H:78]4O[C@@H:105]5O[C@H:77]([C:170](=O)O)[C@@H:73](O)[C@H:78](O)[C@H:78]5O[C@H:102]6O[C@H:69]([CH3:19])[C@@H:74](O)[C@H:72](O)[C@@H:72]6O)[CH2:27][CH2:39][C@:37]78[CH3:17]', '72 79 H 17.14 -2.86 H 12.17 -6.91 C:306 3.93 -15.03 C:23 11.67 -7.79 C:24 10.18 -7.74 C:28 18.37 -0.85 C:30 17.57 1.74 C:27 15.94 -5.13 C:26 14.69 -2.98 C:25 12.17 -2.98 O 4.80 -1.84 O 0.21 -8.97 O 7.21 -1.76 O 1.44 -6.82 O 18.64 3.02 O 6.35 -16.41 O 8.74 -15.00 O 8.72 -12.22 O 3.68 -3.97 O 1.51 -11.01 O 3.77 -6.75 O 3.96 -12.32 C:12 14.68 -1.59 C:11 13.45 -2.28 C:2 9.76 -4.41 C:1 10.95 -3.68 C:16 18.37 -3.68 C:15 17.14 -4.41 C:7 14.68 -5.84 C:6 13.45 -6.54 C:22 19.61 -1.59 C:19 17.14 -0.16 O 5.13 -12.94 O 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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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20.30 -3.60 C:16 19.06 -5.69 C:1 11.64 -5.69 C:19 17.83 -2.16 O 2.00 -8.93 O 5.45 -3.86 O 7.98 -6.57 O 4.43 -8.81 O 4.32 -6.01 O 9.26 -8.62 C:28 20.28 -4.98 C:13 16.61 -4.29 C:2 10.45 -6.42 C:203 2.15 -11.73 C:303 2.97 -2.56 C:204 0.90 -11.09 C:304 4.15 -1.81 C:202 3.25 -10.97 C:302 2.97 -3.96 C:102 6.85 -8.71 C:205 0.90 -9.70 C:305 5.45 -2.46 C:105 6.74 -5.91 C:201 3.25 -9.57 C:301 4.26 -4.61 C:101 7.98 -7.97 C:103 5.61 -8.06 C:104 5.61 -6.66 C:3 10.45 -7.87 C:20 19.06 -1.43 C:18 17.83 -3.60 C:14 16.61 -5.69 C:9 14.13 -5.69 C:5 12.86 -7.87 C:4 11.64 -8.57 C:8 15.37 -6.42 C:10 12.86 -6.42 C:17 19.06 -4.29 64 1 -1 66 2 -2 67 3 -2 63 4 -2 63 5 -1 65 6 -2 68 7 -1 69 8 -1 70 9 -1 10 44 2 11 25 1 12 26 1 13 27 1 14 28 1 15 44 1 46 16 -1 47 17 -1 48 18 -1 49 19 -1 50 20 -2 51 21 -2 52 22 -2 53 23 -2 24 29 1 24 45 2 54 25 -1 55 26 -1 56 27 -1 68 28 -2 29 66 1 30 34 1 30 63 1 31 35 1 31 65 1 32 33 1 32 67 1 33 69 1 34 71 1 35 71 1 36 46 1 36 70 1 37 63 1 37 64 1 38 54 1 38 57 1 39 55 1 39 58 1 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C:18 15.38 -5.00 C:17 12.86 -5.00 O 20.27 -6.38 O -0.49 -7.66 O 7.82 -2.37 O 7.87 -3.77 O 11.66 -11.03 O 21.49 -4.28 O 9.25 -5.70 O 2.22 -13.12 O 1.73 -1.91 O -0.27 -11.86 O 4.10 -0.41 O 4.57 -11.60 O 1.84 -4.70 O 6.90 -10.11 C:123 15.37 -3.60 C:61 -0.42 -9.06 C:62 6.58 -1.72 C:62 6.69 -4.51 C:65 12.36 -9.82 C:24 14.13 -4.29 C:34 20.30 -2.16 C:28 17.83 -6.42 C:18 14.13 -8.57 C:33 15.37 -7.87 C:30 20.30 -3.60 C:24 19.06 -5.69 C:44 11.64 -5.69 C:47 17.83 -2.16 O 2.00 -8.93 O 5.45 -3.86 O 7.98 -6.57 O 4.43 -8.81 O 4.32 -6.01 O 9.26 -8.62 C:180 20.28 -4.98 C:145 16.61 -4.29 C:70 10.45 -6.42 C:14 2.15 -11.73 C:78 2.97 -2.56 C:71 0.90 -11.09 C:11 4.15 -1.81 C:73 3.25 -10.97 C:15 2.97 -3.96 C:74 6.85 -8.71 C:75 0.90 -9.70 C:78 5.45 -2.46 C:71 6.74 -5.91 C:103 3.25 -9.57 C:105 4.26 -4.61 C:105 7.98 -7.97 C:83 5.61 -8.06 C:72 5.61 -6.66 C:82 10.45 -7.87 C:31 19.06 -1.43 C:42 17.83 -3.60 C:42 16.61 -5.69 C:48 14.13 -5.69 C:49 12.86 -7.87 C:43 11.64 -8.57 C:40 15.37 -6.42 C:37 12.86 -6.42 C:47 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(2706, '', '', '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)[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]7([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]8([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O[C@@H:101]5O[C@H:105]([CH2:106]O)[C@@H:104](O[C@@H:301]4O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]4O)[C@H:103](O)[C@H:102]5O[C@@H:201]6O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]6O)[CH2:2][CH2:1][C@:10]78[CH3:25]', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)O)CC[C@]3(C)C2=CC[C@@]7([H])[C@@]3(C)CC[C@@]8([H])[C@](C)(CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]78C', 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'Derivado peracetilado', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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