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
(18283, '11-Oxomogroside II A1', '', '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][CH2:7][C@@:8]6([H])[C@:14]4([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]3O[C@H:105]([CH2:106]O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[C:25]([CH3:27])([CH3:26])O)[C@@:13]4([CH3:18])[CH2:12][C:11](=O)[C@@:9]56[CH3:19]', '[H][C@@]15CC[C@H](O)[C@](C)(C)C1=CC[C@@]6([H])[C@]4(C)CC[C@]([H])([C@H](C)CC[C@@H](O[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)O)[C@@]4(C)CC(=O)[C@@]56C', 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-8.89 C:11 10.82 -11.57 C:5 9.58 -15.17 C:20 15.15 -9.75 C:3 7.12 -15.17 C:203 24.95 -15.14 C:103 22.49 -7.01 C:204 26.31 -14.85 C:104 23.43 -8.03 C:202 24.01 -14.10 C:102 21.13 -7.29 C:205 26.73 -13.52 C:105 23.00 -9.34 C:24 18.90 -10.22 C:201 24.44 -12.75 C:101 20.69 -8.61 C:25 19.86 -11.30 C:4 8.36 -15.89 C:10 9.58 -13.72 C:17 14.68 -11.12 C:8 12.06 -13.72 C:14 13.34 -13.01 C:13 13.34 -11.57 C:9 10.82 -13.01 54 1 -2 55 2 -2 56 3 -1 39 4 -2 5 52 1 6 52 1 53 7 -2 53 8 -1 57 9 -2 58 10 -1 59 11 -1 12 37 2 13 23 1 40 14 -1 41 15 -2 42 16 -1 43 17 -1 44 18 -2 45 19 -1 46 20 -2 21 52 1 22 27 1 22 38 2 47 23 -2 24 25 1 24 39 1 25 49 1 26 28 1 26 40 1 27 56 1 28 54 1 29 30 1 29 55 1 30 57 1 31 33 1 48 31 -1 32 37 1 32 58 1 50 33 -2 34 47 1 34 50 1 35 48 1 35 51 1 49 36 -1 51 36 -1 37 59 1 38 53 1 38 54 1 39 55 1 40 53 1 41 43 1 41 45 1 42 44 1 42 46 1 43 47 1 44 48 1 45 50 1 46 51 1 49 52 1 54 59 1 55 58 1 56 57 1 56 59 1 57 58 1', '59 64 H 9.58 -12.60 H 14.63 -12.09 H 12.06 -12.60 C 14.19 -8.70 C 19.42 -12.66 C 21.28 -11.01 C 9.18 -17.07 C 7.63 -17.11 C 13.37 -14.42 C 13.37 -10.12 C 10.82 -14.42 O 9.62 -10.86 O 28.53 -11.88 O 5.91 -15.86 O 24.53 -16.47 O 22.92 -5.69 O 27.22 -15.89 O 24.79 -7.75 O 22.65 -14.42 O 20.21 -6.24 O 20.78 -12.34 C 10.82 -15.89 C 28.10 -13.21 C 16.55 -9.45 C 17.51 -10.53 C 7.12 -13.72 C 12.06 -15.17 C 8.36 -13.01 C 15.55 -12.30 C 14.68 -13.43 C 23.93 -10.38 C 12.06 -10.86 O 23.51 -11.72 O 25.81 -12.46 O 21.64 -9.63 O 19.33 -8.89 C 10.82 -11.57 C 9.58 -15.17 C 15.15 -9.75 C 7.12 -15.17 C 24.95 -15.14 C 22.49 -7.01 C 26.31 -14.85 C 23.43 -8.03 C 24.01 -14.10 C 21.13 -7.29 C 26.73 -13.52 C 23.00 -9.34 C 18.90 -10.22 C 24.44 -12.75 C 20.69 -8.61 C 19.86 -11.30 C 8.36 -15.89 C 9.58 -13.72 C 14.68 -11.12 C 12.06 -13.72 C 13.34 -13.01 C 13.34 -11.57 C 10.82 -13.01 54 1 -2 55 2 -2 56 3 -1 39 4 -2 5 52 1 6 52 1 53 7 -2 53 8 -1 57 9 -2 58 10 -1 59 11 -1 12 37 2 13 23 1 40 14 -1 41 15 -2 42 16 -1 43 17 -1 44 18 -2 45 19 -1 46 20 -2 21 52 1 22 27 1 22 38 2 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C:78 24.95 -15.14 C:79 22.49 -7.01 C:72 26.31 -14.85 C:72 23.43 -8.03 C:76 24.01 -14.10 C:75 21.13 -7.29 C:79 26.73 -13.52 C:76 23.00 -9.34 C:93 18.90 -10.22 C:105 24.44 -12.75 C:106 20.69 -8.61 C:73 19.86 -11.30 C:42 8.36 -15.89 C:36 9.58 -13.72 C:50 14.68 -11.12 C:44 12.06 -13.72 C:50 13.34 -13.01 C:49 13.34 -11.57 C:49 10.82 -13.01 54 1 -2 55 2 -2 56 3 -1 39 4 -2 5 52 1 6 52 1 53 7 -2 53 8 -1 57 9 -2 58 10 -1 59 11 -1 12 37 2 13 23 1 40 14 -1 41 15 -2 42 16 -1 43 17 -1 44 18 -2 45 19 -1 46 20 -2 21 52 1 22 27 1 22 38 2 47 23 -2 24 25 1 24 39 1 25 49 1 26 28 1 26 40 1 27 56 1 28 54 1 29 30 1 29 55 1 30 57 1 31 33 1 48 31 -1 32 37 1 32 58 1 50 33 -2 34 47 1 34 50 1 35 48 1 35 51 1 49 36 -1 51 36 -1 37 59 1 38 53 1 38 54 1 39 55 1 40 53 1 41 43 1 41 45 1 42 44 1 42 46 1 43 47 1 44 48 1 45 50 1 46 51 1 49 52 1 54 59 1 55 58 1 56 57 1 56 59 1 57 58 1', 'C42H70O14', 798.465, 'P', 'np07_783_7', 4596, '', '', '1', 47, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(18304, '', '11-oxo-mogroside IIE', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]25[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]([CH3:29])([CH3:28])[C:5]2=[CH:6][CH2:7][C@@:8]6([H])[C@:14]4([CH3:30])[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24](O[C@@H:201]3O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]3O)[C:25]([CH3:26])([CH3:27])O)[C@@:13]4([CH3:18])[CH2:12][C:11](=O)[C@@:9]56[CH3:19]', '[H][C@@]25CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@](C)(C)C2=CC[C@@]6([H])[C@]4(C)CC[C@]([H])([C@H](C)CC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)O)[C@@]4(C)CC(=O)[C@@]56C', '[H][C@@:36]25[CH2:22][CH2:29][C@H:87](O[C@@H:107]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]1O)[C@@:42]([CH3:26])([CH3:28])[C:141]2=[CH:119][CH2:24][C@@:44]6([H])[C@:50]4([CH3:19])[CH2:35][CH2:28][C@:50]([H])([C@H:36]([CH3:18])[CH2:33][CH2:28][C@@H:91](O[C@@H:106]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]3O)[C:72]([CH3:25])([CH3:27])O)[C@@:49]4([CH3:17])[CH2:49][C:214](=O)[C@@:49]56[CH3:20]', '59 64 H 13.94 -12.57 H 18.97 -12.07 H 16.41 -12.57 C:21 18.58 -8.66 C:26 25.64 -10.98 C:27 23.78 -12.63 C:29 11.97 -17.06 C:28 13.53 -17.06 C:30 17.70 -14.36 C:18 17.70 -10.10 C:19 15.18 -14.36 O 13.97 -10.84 O 27.87 -11.68 O 9.04 -10.90 O 27.26 -5.63 O 5.40 -15.80 O 29.15 -7.72 O 5.40 -13.00 O 24.53 -6.21 O 7.83 -17.20 O 25.15 -12.30 C:6 15.18 -15.84 C:206 28.29 -10.35 C:106 7.83 -11.60 C:22 20.89 -9.42 C:23 21.84 -10.50 C:2 11.45 -13.70 C:7 16.41 -15.10 C:1 12.70 -12.97 C:16 19.88 -12.26 C:15 19.02 -13.40 C:12 16.41 -10.81 O 25.99 -9.61 O 9.04 -13.70 O 23.68 -8.86 O 10.24 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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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(18326, 'Foetidissimoside C', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]16[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[C@@H:201]2O[CH2:205][C@H:204](O)[C@H:203](O)[C@H:202]2O[C@@H:301]5O[C@@H:305]([CH3:306])[C@H:304](O[C@@H:401]4O[CH2:405][C@@H:404](O)[C@H:403](O[C@@H:501]3O[C@H:505]([CH2:506]O)[C@@H:504](O)[C@H:503](O)[C@H:502]3O)[C@H:402]4O)[C@@H:303](O)[C@H:302]5O)[C@H:16](O)[CH2:15][C@:14]7([CH3:27])[C:13]6=[CH:12][CH2:11][C@@:9]9([H])[C@@:8]7([CH3:26])[CH2:7][CH2:6][C@@:5]%10([H])[C@:4]([CH3:24])([CH3:23])[C@@H:3](O[C@@H:101]8O[C@H:105]([C:106](=O)O)[C@@H:104](O)[C@H:103](O)[C@H:102]8O)[CH2:2][CH2:1][C@:10]9%10[CH3:25]', '[H][C@@]16C[C@](C)(C)CC[C@]1(C(=O)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)[C@@H](O)[C@H]5O)[C@H](O)C[C@]7(C)C6=CC[C@@]9([H])[C@@]7(C)CC[C@@]%10([H])[C@](C)(C)[C@@H](O[C@@H]8O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]8O)CC[C@]9%10C', 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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
(18333, '', '', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]14[CH2:1][C@H: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]([CH3:26])[CH2:27]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@H](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@@:34]14[CH2:36][C@H:72](O)[C:214](=O)[C@:50]([CH3:29])([CH3:21])[C:141]1=[CH:120][CH2:24][C@@:42]5([H])[C@:48]3([CH3:9999])[CH2:41][C@H:76]2O[C@@H:73]([CH:125]=[C:139]([CH3:14])[CH2:68]O)[CH2:49][C@:73]([CH3:29])(O)[C@:55]2([H])[C@@:49]3([CH3:20])[CH2:48][C:212](=O)[C@@:48]45[CH3:20]', '39 43 H 13.06 -11.35 H 15.55 -11.35 H 18.14 -10.83 C:26 22.11 -7.00 C:28 12.66 -15.88 C:29 11.07 -15.88 C:21 18.77 -7.20 C:18 16.86 -8.86 C:30 16.86 -13.17 C:19 14.31 -13.17 O 13.10 -9.62 O 9.36 -14.60 O 25.16 -9.08 O 9.36 -11.76 O 17.60 -7.81 C:6 14.31 -14.65 C:24 22.38 -9.41 C:27 24.33 -7.96 C:7 15.55 -13.91 C:12 15.55 -9.58 C:22 20.16 -8.45 C:1 11.83 -11.76 C:15 18.19 -12.18 O 20.44 -10.83 C:25 22.94 -8.12 C:11 14.31 -10.31 C:3 10.57 -13.91 C:5 13.06 -13.91 C:2 10.57 -12.46 C:23 20.99 -9.58 C:16 19.07 -11.04 C:4 11.83 -14.65 C:20 18.77 -8.61 C:10 13.06 -12.46 C:8 15.55 -12.46 C:13 16.86 -10.31 C:14 16.86 -11.76 C:17 18.19 -9.87 C:9 14.31 -11.76 34 1 -2 35 2 -1 38 3 -2 4 25 1 32 5 -2 32 6 -1 33 7 -2 36 8 -1 37 9 -2 39 10 -1 11 26 2 12 27 2 13 18 1 29 14 -1 33 15 -1 16 19 1 16 28 2 17 25 2 30 17 -2 18 25 1 19 35 1 20 26 1 20 36 1 21 30 1 21 33 1 22 29 1 22 34 1 23 31 1 23 37 1 24 30 1 31 24 -2 26 39 1 27 29 1 27 32 1 28 32 1 28 34 1 31 38 1 33 38 1 34 39 1 35 37 1 35 39 1 36 37 1 36 38 1', '39 43 H 13.06 -11.35 H 15.55 -11.35 H 18.14 -10.83 C 22.11 -7.00 C 12.66 -15.88 C 11.07 -15.88 C 18.77 -7.20 C 16.86 -8.86 C 16.86 -13.17 C 14.31 -13.17 O 13.10 -9.62 O 9.36 -14.60 O 25.16 -9.08 O 9.36 -11.76 O 17.60 -7.81 C 14.31 -14.65 C 22.38 -9.41 C 24.33 -7.96 C 15.55 -13.91 C 15.55 -9.58 C 20.16 -8.45 C 11.83 -11.76 C 18.19 -12.18 O 20.44 -10.83 C 22.94 -8.12 C 14.31 -10.31 C 10.57 -13.91 C 13.06 -13.91 C 10.57 -12.46 C 20.99 -9.58 C 19.07 -11.04 C 11.83 -14.65 C 18.77 -8.61 C 13.06 -12.46 C 15.55 -12.46 C 16.86 -10.31 C 16.86 -11.76 C 18.19 -9.87 C 14.31 -11.76 34 1 -2 35 2 -1 38 3 -2 4 25 1 32 5 -2 32 6 -1 33 7 -2 36 8 -1 37 9 -2 39 10 -1 11 26 2 12 27 2 13 18 1 29 14 -1 33 15 -1 16 19 1 16 28 2 17 25 2 30 17 -2 18 25 1 19 35 1 20 26 1 20 36 1 21 30 1 21 33 1 22 29 1 22 34 1 23 31 1 23 37 1 24 30 1 31 24 -2 26 39 1 27 29 1 27 32 1 28 32 1 28 34 1 31 38 1 33 38 1 34 39 1 35 37 1 35 39 1 36 37 1 36 38 1', '39 43 H 13.06 -11.35 H 15.55 -11.35 H 18.14 -10.83 C:14 22.11 -7.00 C:29 12.66 -15.88 C:21 11.07 -15.88 C:29 18.77 -7.20 C:20 16.86 -8.86 C 16.86 -13.17 C:20 14.31 -13.17 O 13.10 -9.62 O 9.36 -14.60 O 25.16 -9.08 O 9.36 -11.76 O 17.60 -7.81 C:120 14.31 -14.65 C:125 22.38 -9.41 C:68 24.33 -7.96 C:24 15.55 -13.91 C:48 15.55 -9.58 C:49 20.16 -8.45 C:36 11.83 -11.76 C:41 18.19 -12.18 O 20.44 -10.83 C:139 22.94 -8.12 C:212 14.31 -10.31 C:214 10.57 -13.91 C:141 13.06 -13.91 C:72 10.57 -12.46 C:73 20.99 -9.58 C:76 19.07 -11.04 C:50 11.83 -14.65 C:73 18.77 -8.61 C:34 13.06 -12.46 C:42 15.55 -12.46 C:49 16.86 -10.31 C:48 16.86 -11.76 C:55 18.19 -9.87 C:48 14.31 -11.76 34 1 -2 35 2 -1 38 3 -2 4 25 1 32 5 -2 32 6 -1 33 7 -2 36 8 -1 37 9 -2 39 10 -1 11 26 2 12 27 2 13 18 1 29 14 -1 33 15 -1 16 19 1 16 28 2 17 25 2 30 17 -2 18 25 1 19 35 1 20 26 1 20 36 1 21 30 1 21 33 1 22 29 1 22 34 1 23 31 1 23 37 1 24 30 1 31 24 -2 26 39 1 27 29 1 27 32 1 28 32 1 28 34 1 31 38 1 33 38 1 34 39 1 35 37 1 35 39 1 36 37 1 36 38 1', 'C30H44O6', 500.341, 'C', 'ol04_633_3a', 4613, '', '', '1', 1, NULL, NULL),
(18334, '', 'Cucurbita-5,23-diene -3β,25-diol', 'Terpenoids', 'Triterpenoids', 'Cucurbitanes', '[H][C@@:10]12[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C:5]1=[CH:6][CH2:7][C@:8]3([H])[C@@:9]2([CH3:19])[CH2:11][CH2:12][C@:13]4([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH:23]=[CH:24][C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@@:14]34[CH3:30]', '[H][C@@]12CC[C@H](O)[C@](C)(C)C1=CC[C@]3([H])[C@@]2(C)CC[C@]4(C)[C@@]([H])([C@H](C)CC=CC(C)(C)O)CC[C@@]34C', '[H][C@@:38]12[CH2:21][CH2:29][C@H:77](O)[C@:41]([CH3:27])([CH3:25])[C:141]1=[CH:121][CH2:24][C@:44]3([H])[C@@:34]2([CH3:28])[CH2:32][CH2:30][C@:46]4([CH3:15])[C@@:50]([H])([C@H:36]([CH3:19])[CH2:39][CH:125]=[CH:139][C:71]([CH3:30])([CH3:30])O)[CH2:28][CH2:35][C@@:49]34[CH3:18]', '35 38 H 13.26 -11.12 H 18.29 -10.60 H 15.73 -11.12 C:21 17.85 -7.20 C:27 23.09 -11.18 C:26 24.94 -9.53 C:28 12.86 -15.56 C:29 11.29 -15.60 C:19 14.50 -12.92 C:18 17.03 -8.63 C:30 17.03 -12.92 O 9.57 -14.36 O 24.45 -10.85 C:23 21.16 -9.04 C:24 22.56 -8.73 C:6 14.50 -14.39 C:22 20.21 -7.97 C:7 15.73 -13.66 C:2 10.78 -12.22 C:1 12.04 -11.52 C:16 19.20 -10.81 C:11 14.50 -10.08 C:15 18.34 -11.94 C:12 15.73 -9.36 C:5 13.26 -13.66 C:20 18.81 -8.26 C:3 10.78 -13.66 C:25 23.53 -9.82 C:4 12.04 -14.39 C:10 13.26 -12.22 C:17 18.34 -9.65 C:8 15.73 -12.22 C:9 14.50 -11.52 C:13 17.00 -10.08 C:14 17.00 -11.52 30 1 -2 31 2 -2 32 3 -1 26 4 -2 5 28 1 6 28 1 29 7 -2 29 8 -1 33 9 -1 34 10 -1 35 11 -2 27 12 -1 13 28 1 14 15 2 14 17 1 15 28 1 16 18 1 16 25 2 17 26 1 18 32 1 19 20 1 19 27 1 20 30 1 21 23 1 21 31 1 22 24 1 22 33 1 23 35 1 24 34 1 25 29 1 25 30 1 26 31 1 27 29 1 30 33 1 31 34 1 32 33 1 32 35 1 34 35 1', '35 38 H 13.26 -11.12 H 18.29 -10.60 H 15.73 -11.12 C 17.85 -7.20 C 23.09 -11.18 C 24.94 -9.53 C 12.86 -15.56 C 11.29 -15.60 C 14.50 -12.92 C 17.03 -8.63 C 17.03 -12.92 O 9.57 -14.36 O 24.45 -10.85 C 21.16 -9.04 C 22.56 -8.73 C 14.50 -14.39 C 20.21 -7.97 C 15.73 -13.66 C 10.78 -12.22 C 12.04 -11.52 C 19.20 -10.81 C 14.50 -10.08 C 18.34 -11.94 C 15.73 -9.36 C 13.26 -13.66 C 18.81 -8.26 C 10.78 -13.66 C 23.53 -9.82 C 12.04 -14.39 C 13.26 -12.22 C 18.34 -9.65 C 15.73 -12.22 C 14.50 -11.52 C 17.00 -10.08 C 17.00 -11.52 30 1 -2 31 2 -2 32 3 -1 26 4 -2 5 28 1 6 28 1 29 7 -2 29 8 -1 33 9 -1 34 10 -1 35 11 -2 27 12 -1 13 28 1 14 15 2 14 17 1 15 28 1 16 18 1 16 25 2 17 26 1 18 32 1 19 20 1 19 27 1 20 30 1 21 23 1 21 31 1 22 24 1 22 33 1 23 35 1 24 34 1 25 29 1 25 30 1 26 31 1 27 29 1 30 33 1 31 34 1 32 33 1 32 35 1 34 35 1', '35 38 H 13.26 -11.12 H 18.29 -10.60 H 15.73 -11.12 C:19 17.85 -7.20 C:30 23.09 -11.18 C:30 24.94 -9.53 C:27 12.86 -15.56 C:25 11.29 -15.60 C:28 14.50 -12.92 C:15 17.03 -8.63 C:18 17.03 -12.92 O 9.57 -14.36 O 24.45 -10.85 C:125 21.16 -9.04 C:139 22.56 -8.73 C:121 14.50 -14.39 C:39 20.21 -7.97 C:24 15.73 -13.66 C:29 10.78 -12.22 C:21 12.04 -11.52 C:28 19.20 -10.81 C:32 14.50 -10.08 C:35 18.34 -11.94 C:30 15.73 -9.36 C:141 13.26 -13.66 C:36 18.81 -8.26 C:77 10.78 -13.66 C:71 23.53 -9.82 C:41 12.04 -14.39 C:38 13.26 -12.22 C:50 18.34 -9.65 C:44 15.73 -12.22 C:34 14.50 -11.52 C:46 17.00 -10.08 C:49 17.00 -11.52 30 1 -2 31 2 -2 32 3 -1 26 4 -2 5 28 1 6 28 1 29 7 -2 29 8 -1 33 9 -1 34 10 -1 35 11 -2 27 12 -1 13 28 1 14 15 2 14 17 1 15 28 1 16 18 1 16 25 2 17 26 1 18 32 1 19 20 1 19 27 1 20 30 1 21 23 1 21 31 1 22 24 1 22 33 1 23 35 1 24 34 1 25 29 1 25 30 1 26 31 1 27 29 1 30 33 1 31 34 1 32 33 1 32 35 1 34 35 1', 'C30H50O2', 442.344, 'C', 'fi04_609_1', 4614, '', '', '1', 1, NULL, NULL),
(18335, '3b-Acetoxy-27-{[(E)-3-phenylprop-2-enoyl]oxy}lup-20(29)-en-28-oic Acid Methyl Ester', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@:14]23[CH2:27]O[C:27001](=O)[CH:27002]=[CH:27003][c:27004]4[cH:27009][cH:27008][cH:27007][cH:27006][cH:27005]4)[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C(=O)OC)CC[C@]23COC(=O)C=Cc4ccccc4)[C@@]5(C)CC[C@H](OC(C)=O)[C@]6(C)C', 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(18344, '', 'Methyl labd-7-en-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH3:17])[C@H:9]([CH2:11][CH2:12][CH:13]([CH3:16])[CH2:14][C:15](=O)O[CH3:15001])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC=C(C)[C@H](CCC(C)CC(=O)OC)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:55]12[CH2:24][CH:122]=[C:135]([CH3:22])[C@H:50]([CH2:25][CH2:37][CH:31]([CH3:19])[CH2:42][C:173](=O)O[CH3:52])[C@@:37]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '24 25 H 16.05 -16.43 C:15001 20.96 -5.58 C:17 19.74 -13.34 C:16 17.28 -9.08 C:19 13.87 -17.23 C:18 15.77 -17.23 C:20 16.05 -12.63 O 18.52 -6.98 C:7 18.52 -15.48 C:2 13.59 -14.06 C:6 17.28 -16.19 C:12 18.52 -11.21 C:11 17.28 -11.91 C:3 13.59 -15.48 C:1 14.82 -13.34 C:14 19.74 -9.08 O 20.96 -6.98 C:8 18.52 -14.06 C:15 19.74 -7.68 C:13 18.52 -9.79 C:9 17.28 -13.34 C:4 14.82 -16.19 C:5 16.05 -15.48 C:10 16.05 -14.06 23 1 -2 2 17 1 3 18 1 4 20 1 22 5 -1 22 6 -2 24 7 -1 8 19 2 9 11 1 9 18 2 10 14 1 10 15 1 11 23 1 12 13 1 12 20 1 21 13 -1 14 22 1 15 24 1 16 19 1 16 20 1 17 19 1 18 21 1 21 24 1 22 23 1 23 24 1', '24 25 H 16.05 -16.43 C 20.96 -5.58 C 19.74 -13.34 C 17.28 -9.08 C 13.87 -17.23 C 15.77 -17.23 C 16.05 -12.63 O 18.52 -6.98 C 18.52 -15.48 C 13.59 -14.06 C 17.28 -16.19 C 18.52 -11.21 C 17.28 -11.91 C 13.59 -15.48 C 14.82 -13.34 C 19.74 -9.08 O 20.96 -6.98 C 18.52 -14.06 C 19.74 -7.68 C 18.52 -9.79 C 17.28 -13.34 C 14.82 -16.19 C 16.05 -15.48 C 16.05 -14.06 23 1 -2 2 17 1 3 18 1 4 20 1 22 5 -1 22 6 -2 24 7 -1 8 19 2 9 11 1 9 18 2 10 14 1 10 15 1 11 23 1 12 13 1 12 20 1 21 13 -1 14 22 1 15 24 1 16 19 1 16 20 1 17 19 1 18 21 1 21 24 1 22 23 1 23 24 1', '24 25 H 16.05 -16.43 C:52 20.96 -5.58 C:22 19.74 -13.34 C:19 17.28 -9.08 C:22 13.87 -17.23 C:33 15.77 -17.23 C:14 16.05 -12.63 O 18.52 -6.98 C:122 18.52 -15.48 C:19 13.59 -14.06 C:24 17.28 -16.19 C:37 18.52 -11.21 C:25 17.28 -11.91 C:42 13.59 -15.48 C:39 14.82 -13.34 C:42 19.74 -9.08 O 20.96 -6.98 C:135 18.52 -14.06 C:173 19.74 -7.68 C:31 18.52 -9.79 C:50 17.28 -13.34 C:33 14.82 -16.19 C:55 16.05 -15.48 C:37 16.05 -14.06 23 1 -2 2 17 1 3 18 1 4 20 1 22 5 -1 22 6 -2 24 7 -1 8 19 2 9 11 1 9 18 2 10 14 1 10 15 1 11 23 1 12 13 1 12 20 1 21 13 -1 14 22 1 15 24 1 16 19 1 16 20 1 17 19 1 18 21 1 21 24 1 22 23 1 23 24 1', 'C21H36O2', 320.231, 'C', 'jbcs07_1585_5a', 4619, '', '', '1', 47, 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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28.24 -12.74 C 6.26 -11.74 C 14.70 -13.63 C 12.28 -13.72 C 27.03 -10.66 C 7.44 -13.86 C 9.87 -13.82 C 23.33 -7.20 C 22.11 -9.36 C 20.90 -11.46 C 18.39 -11.46 C 17.11 -13.63 C 15.90 -14.34 C 19.63 -12.18 C 17.11 -12.18 C 23.33 -10.05 61 1 -1 63 2 -2 64 3 -2 60 4 -2 60 5 -1 62 6 -2 65 7 -1 66 8 -1 67 9 -1 10 22 2 11 43 2 12 24 1 13 25 1 45 14 -1 46 15 -1 47 16 -1 48 17 -2 49 18 -2 50 19 -2 51 20 -2 52 21 -2 65 22 -2 23 27 1 23 44 2 53 24 -1 54 25 -1 26 28 1 26 55 1 27 63 1 28 67 1 29 33 1 29 60 1 30 34 1 30 62 1 31 32 1 31 64 1 32 66 1 33 68 1 34 68 1 35 37 1 35 45 1 36 60 1 36 61 1 37 56 1 38 43 1 57 38 -1 39 53 1 39 57 1 40 54 1 40 58 1 55 41 -1 56 41 -1 58 42 -1 59 42 -1 68 43 -1 44 61 1 44 62 1 45 59 1 46 48 1 46 50 1 47 49 1 47 51 1 48 53 1 49 54 1 50 57 1 51 58 1 52 56 1 52 59 1 55 65 1 61 68 1 62 66 1 63 66 1 63 67 1 64 65 1 64 67 1', '68 75 H 22.11 -10.63 H 18.42 -12.46 H 17.11 -14.71 C:31 24.16 -6.02 C:22 22.54 -6.02 C:24 20.90 -12.91 C:12 15.11 -15.54 C:15 19.63 -10.76 C:13 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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
(18370, '', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]13[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[C@@H:301]2O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]2O)[CH2:16][CH2:15][C@:14]8([CH:27]=O)[C:13]3=[CH:12][CH2:11][C@:9]7([H])[C@@:10]6([CH3:25])[CH2:1][CH2:2][C@H:3](O[C@@H:101]5O[CH2:105][C@H:104](O)[C@H:103](O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]4O)[C@H:102]5O)[C@@:4]([CH3:24])([CH3:23])[C@:5]6([H])[CH2:6][CH2:7][C@:8]78[CH3:26]', '[H][C@@]13C[C@](C)(C)CC[C@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]8(C=O)C3=CC[C@]7([H])[C@@]6(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]5O)[C@@](C)(C)[C@]6([H])CC[C@]78C', 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-9.81 C:16 23.33 -11.91 C:105 11.05 -12.14 C:19 22.11 -8.37 O 12.28 -12.77 O 25.76 -10.47 O 27.03 -12.50 O 7.44 -12.91 O 13.51 -14.82 O 8.67 -14.99 C:28 24.65 -11.18 C:13 20.90 -10.50 C:104 9.87 -12.87 C:303 29.45 -11.08 C:203 5.01 -14.27 C:304 29.45 -12.47 C:204 5.01 -12.87 C:302 28.21 -10.40 C:202 6.21 -14.99 C:102 11.10 -14.91 C:305 28.24 -13.19 C:205 6.26 -12.19 C:3 14.70 -14.08 C:101 12.28 -14.17 C:301 27.03 -11.11 C:201 7.44 -14.31 C:103 9.87 -14.27 C:20 23.33 -7.65 C:4 15.90 -14.79 C:18 22.11 -9.81 C:9 18.39 -11.91 C:5 17.11 -14.08 C:10 17.11 -12.63 C:8 19.63 -12.63 C:14 20.90 -11.91 C:17 23.33 -10.50 62 1 -1 63 2 -2 64 3 -2 60 4 -1 60 5 -2 61 6 -1 61 7 -2 65 8 -1 66 9 -1 10 22 2 11 43 2 12 24 1 13 25 1 45 14 -1 46 15 -1 47 16 -1 48 17 -2 49 18 -2 50 19 -2 51 20 -2 52 21 -2 67 22 -2 23 27 1 23 44 2 53 24 -1 54 25 -1 26 28 1 26 55 1 27 63 1 28 65 1 29 33 1 29 60 1 30 31 1 30 64 1 31 66 1 32 34 1 32 67 1 33 68 1 34 68 1 35 37 1 35 45 1 36 60 1 36 62 1 37 56 1 38 43 1 57 38 -1 39 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-14.91 C 28.24 -13.19 C 6.26 -12.19 C 14.70 -14.08 C 12.28 -14.17 C 27.03 -11.11 C 7.44 -14.31 C 9.87 -14.27 C 23.33 -7.65 C 15.90 -14.79 C 22.11 -9.81 C 18.39 -11.91 C 17.11 -14.08 C 17.11 -12.63 C 19.63 -12.63 C 20.90 -11.91 C 23.33 -10.50 62 1 -1 63 2 -2 64 3 -2 60 4 -1 60 5 -2 61 6 -1 61 7 -2 65 8 -1 66 9 -1 10 22 2 11 43 2 12 24 1 13 25 1 45 14 -1 46 15 -1 47 16 -1 48 17 -2 49 18 -2 50 19 -2 51 20 -2 52 21 -2 67 22 -2 23 27 1 23 44 2 53 24 -1 54 25 -1 26 28 1 26 55 1 27 63 1 28 65 1 29 33 1 29 60 1 30 31 1 30 64 1 31 66 1 32 34 1 32 67 1 33 68 1 34 68 1 35 37 1 35 45 1 36 60 1 36 62 1 37 56 1 38 43 1 57 38 -1 39 53 1 39 57 1 40 54 1 40 58 1 55 41 -1 56 41 -1 58 42 -1 59 42 -1 68 43 -1 44 62 1 44 67 1 45 59 1 46 48 1 46 50 1 47 49 1 47 51 1 48 53 1 49 54 1 50 57 1 51 58 1 52 56 1 52 59 1 55 61 1 61 64 1 62 68 1 63 65 1 63 66 1 64 65 1 66 67 1', '68 75 H 22.11 -11.08 H 18.42 -12.91 H 17.11 -15.16 C:24 22.54 -6.47 C:33 24.16 -6.47 C:28 15.11 -15.99 C:32 16.60 -16.03 C:16 17.11 -11.21 C:17 19.63 -11.21 O 22.11 -14.06 O 24.65 -12.57 O 27.03 -15.29 O 7.51 -10.10 O 8.62 -12.19 O 30.68 -10.40 O 3.79 -14.94 O 30.68 -13.15 O 3.85 -12.14 O 28.21 -8.99 O 6.21 -16.39 O 11.10 -16.31 C:209 20.90 -13.36 C:123 19.63 -9.81 C:70 28.24 -14.59 C:63 6.28 -10.79 C:26 14.70 -12.63 C:24 18.39 -10.50 C:38 15.90 -11.91 C:31 24.57 -8.37 C:18 18.39 -14.79 C:36 19.63 -14.08 C:21 22.11 -12.63 C:34 24.57 -9.81 C:23 23.33 -11.91 C:67 11.05 -12.14 C:42 22.11 -8.37 O 12.28 -12.77 O 25.76 -10.47 O 27.03 -12.50 O 7.44 -12.91 O 13.51 -14.82 O 8.67 -14.99 C:176 24.65 -11.18 C:144 20.90 -10.50 C:69 9.87 -12.87 C:79 29.45 -11.08 C:78 5.01 -14.27 C:71 29.45 -12.47 C:72 5.01 -12.87 C:74 28.21 -10.40 C:76 6.21 -14.99 C:72 11.10 -14.91 C:78 28.24 -13.19 C:78 6.26 -12.19 C:88 14.70 -14.08 C:107 12.28 -14.17 C:96 27.03 -11.11 C:106 7.44 -14.31 C:84 9.87 -14.27 C:44 23.33 -7.65 C:39 15.90 -14.79 C:47 22.11 -9.81 C:50 18.39 -11.91 C:56 17.11 -14.08 C:37 17.11 -12.63 C:42 19.63 -12.63 C:59 20.90 -11.91 C:47 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