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
(13254, 'Scortechinone S', '', 'Aromatics', 'Xanthones', '', '[H][C@@:8001]36[C:9](=O)[c:9001]2[c:1](O)[c:2]([CH2:2001][CH:2002](O)[C:2003](=[CH2:2005])[CH3:2004])[c:3]1O[C@@H:3002]([CH3:3003])[C@@:3001]([CH3:3004])([CH3:3005])[c:4]1[c:4001]2O[C@:10001]34[CH:102]5[CH2:101][C@:7](O[CH3:7001])([C:6](=O)[C@@:5]4([CH2:5001][CH:5002]=[C:5003]([CH3:5004])[C:5005](=O)O)O[C@:103]5([CH3:105])[CH3:104])[C@H:8]6O[CH3:201]', '[H][C@@]36C(=O)c2c(O)c(CC(O)C(=C)C)c1O[C@@H](C)[C@@](C)(C)c1c2O[C@]34C5C[C@](OC)(C(=O)[C@@]4(CC=C(C)C(=O)O)O[C@]5(C)C)[C@H]6OC', '[H][C@@:49]36[C:192](=O)[c:103]2[c:162](O)[c:102]([CH2:29][CH:76](O)[C:147](=[CH2:18])[CH3:110])[c:167]1O[C@@H:91]([CH3:14])[C@@:44]([CH3:22])([CH3:26])[c:114]1[c:153]2O[C@:87]34[CH:45]5[CH2:24][C@:81](O[CH3:52])([C:205](=O)[C@@:87]4([CH2:28][CH:137]=[C:128]([CH3:21])[C:170](=O)O)O[C@:83]5([CH3:27])[CH3:31])[C@H:75]6O[CH3:58]', '47 52 H 14.59 -8.32 C:2005 23.04 -7.17 C:201 14.59 -6.55 C:7001 11.03 -7.27 C:2004 24.28 -9.33 C:5004 13.32 -16.31 C:3003 20.59 -14.23 C:105 10.74 -13.76 C:104 10.21 -12.01 C:3004 18.56 -14.23 C:3005 17.09 -12.89 O 16.15 -13.88 O 15.78 -7.27 O 11.23 -11.29 O 16.15 -16.31 O 18.22 -7.27 O 21.87 -10.76 C:5002 13.32 -13.88 C:5001 14.04 -12.66 C:2001 20.59 -8.64 C:101 13.47 -9.71 O 13.32 -7.27 O 11.03 -8.64 O 20.48 -11.71 O 15.78 -11.45 O 12.79 -12.73 C:2003 23.04 -8.56 C:5003 14.04 -15.09 C:5005 15.45 -15.09 C:9 15.78 -8.64 C:6 12.20 -10.76 C:1 18.22 -8.64 C:2 19.42 -9.33 C:3 19.42 -10.76 C:4001 17.09 -10.76 C:9001 17.09 -9.33 C:4 18.22 -11.45 C:3002 19.90 -12.99 C:2002 21.87 -9.33 C:102 13.23 -10.67 C:8 13.32 -8.64 C:103 11.46 -12.57 C:3001 18.56 -12.83 C:8001 14.59 -9.33 C:7 12.20 -9.33 C:5 13.32 -11.45 C:10001 14.59 -10.76 44 1 -1 2 27 2 3 22 1 4 23 1 5 27 1 6 28 1 38 7 -1 42 8 -1 42 9 -2 43 10 -2 43 11 -1 12 29 2 13 30 2 14 31 2 15 29 1 16 32 1 17 39 1 18 19 1 18 28 2 46 19 -1 20 33 1 20 39 1 21 40 1 21 45 1 41 22 -1 45 23 -1 24 34 1 24 38 1 25 35 1 25 47 1 26 42 1 26 46 1 27 39 1 28 29 1 30 36 1 30 44 1 31 45 1 31 46 1 32 33 2 32 36 1 33 34 1 34 37 2 35 36 2 35 37 1 37 43 1 38 43 1 40 42 1 47 40 -2 41 44 1 41 45 1 44 47 1 46 47 1', '47 52 H 14.59 -8.32 C 23.04 -7.17 C 14.59 -6.55 C 11.03 -7.27 C 24.28 -9.33 C 13.32 -16.31 C 20.59 -14.23 C 10.74 -13.76 C 10.21 -12.01 C 18.56 -14.23 C 17.09 -12.89 O 16.15 -13.88 O 15.78 -7.27 O 11.23 -11.29 O 16.15 -16.31 O 18.22 -7.27 O 21.87 -10.76 C 13.32 -13.88 C 14.04 -12.66 C 20.59 -8.64 C 13.47 -9.71 O 13.32 -7.27 O 11.03 -8.64 O 20.48 -11.71 O 15.78 -11.45 O 12.79 -12.73 C 23.04 -8.56 C 14.04 -15.09 C 15.45 -15.09 C 15.78 -8.64 C 12.20 -10.76 C 18.22 -8.64 C 19.42 -9.33 C 19.42 -10.76 C 17.09 -10.76 C 17.09 -9.33 C 18.22 -11.45 C 19.90 -12.99 C 21.87 -9.33 C 13.23 -10.67 C 13.32 -8.64 C 11.46 -12.57 C 18.56 -12.83 C 14.59 -9.33 C 12.20 -9.33 C 13.32 -11.45 C 14.59 -10.76 44 1 -1 2 27 2 3 22 1 4 23 1 5 27 1 6 28 1 38 7 -1 42 8 -1 42 9 -2 43 10 -2 43 11 -1 12 29 2 13 30 2 14 31 2 15 29 1 16 32 1 17 39 1 18 19 1 18 28 2 46 19 -1 20 33 1 20 39 1 21 40 1 21 45 1 41 22 -1 45 23 -1 24 34 1 24 38 1 25 35 1 25 47 1 26 42 1 26 46 1 27 39 1 28 29 1 30 36 1 30 44 1 31 45 1 31 46 1 32 33 2 32 36 1 33 34 1 34 37 2 35 36 2 35 37 1 37 43 1 38 43 1 40 42 1 47 40 -2 41 44 1 41 45 1 44 47 1 46 47 1', '47 52 H 14.59 -8.32 C:18 23.04 -7.17 C:58 14.59 -6.55 C:52 11.03 -7.27 C:110 24.28 -9.33 C:21 13.32 -16.31 C:14 20.59 -14.23 C:27 10.74 -13.76 C:31 10.21 -12.01 C:22 18.56 -14.23 C:26 17.09 -12.89 O 16.15 -13.88 O 15.78 -7.27 O 11.23 -11.29 O 16.15 -16.31 O 18.22 -7.27 O 21.87 -10.76 C:137 13.32 -13.88 C:28 14.04 -12.66 C:29 20.59 -8.64 C:24 13.47 -9.71 O 13.32 -7.27 O 11.03 -8.64 O 20.48 -11.71 O 15.78 -11.45 O 12.79 -12.73 C:147 23.04 -8.56 C:128 14.04 -15.09 C:170 15.45 -15.09 C:192 15.78 -8.64 C:205 12.20 -10.76 C:162 18.22 -8.64 C:102 19.42 -9.33 C:167 19.42 -10.76 C:153 17.09 -10.76 C:103 17.09 -9.33 C:114 18.22 -11.45 C:91 19.90 -12.99 C:76 21.87 -9.33 C:45 13.23 -10.67 C:75 13.32 -8.64 C:83 11.46 -12.57 C:44 18.56 -12.83 C:49 14.59 -9.33 C:81 12.20 -9.33 C:87 13.32 -11.45 C:87 14.59 -10.76 44 1 -1 2 27 2 3 22 1 4 23 1 5 27 1 6 28 1 38 7 -1 42 8 -1 42 9 -2 43 10 -2 43 11 -1 12 29 2 13 30 2 14 31 2 15 29 1 16 32 1 17 39 1 18 19 1 18 28 2 46 19 -1 20 33 1 20 39 1 21 40 1 21 45 1 41 22 -1 45 23 -1 24 34 1 24 38 1 25 35 1 25 47 1 26 42 1 26 46 1 27 39 1 28 29 1 30 36 1 30 44 1 31 45 1 31 46 1 32 33 2 32 36 1 33 34 1 34 37 2 35 36 2 35 37 1 37 43 1 38 43 1 40 42 1 47 40 -2 41 44 1 41 45 1 44 47 1 46 47 1', 'C35H44O11', 640.376, 'C', 'np05_1010_3', 3416, '', '', '1', 1, NULL, NULL),
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(13270, 'Calophymembranol C', '', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[c:5](O[CH3:5001])[c:6](O)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O[CH3:1001]', 'COc3c(O)cc2oc1c(OC)c(O)ccc1c(=O)c2c3OC', '[CH3:62]O[c:140]3[c:156](O)[cH:101][c:158]2o[c:151]1[c:136](O[CH3:62])[c:156](O)[cH:114][cH:123][c:117]1[c:175](=O)[c:111]2[c:155]3O[CH3:62]', '23 25 C:2001 22.69 -10.71 C:5001 13.04 -14.94 C:1001 20.27 -7.93 O 16.66 -8.62 O 11.86 -12.84 O 21.49 -12.84 C:7 13.04 -10.71 C:8 14.26 -10.00 C:4 19.08 -12.84 O 21.49 -10.00 O 14.26 -14.25 O 19.08 -8.62 O 16.66 -12.84 C:6 13.04 -12.12 C:3 20.27 -12.12 C:2 20.27 -10.71 C:5 14.26 -12.84 C:1 19.08 -10.00 C:9 16.66 -10.00 C:4001 17.89 -12.12 C:8001 15.45 -10.71 C:10001 15.45 -12.12 C:9001 17.89 -10.71 1 10 1 2 11 1 3 12 1 4 19 2 5 14 1 6 15 1 7 8 2 7 14 1 8 21 1 9 15 2 9 20 1 10 16 1 11 17 1 12 18 1 13 20 1 13 22 1 14 17 2 15 16 1 16 18 2 17 22 1 18 23 1 19 21 1 19 23 1 20 23 2 21 22 2', '23 25 C 22.69 -10.71 C 13.04 -14.94 C 20.27 -7.93 O 16.66 -8.62 O 11.86 -12.84 O 21.49 -12.84 C 13.04 -10.71 C 14.26 -10.00 C 19.08 -12.84 O 21.49 -10.00 O 14.26 -14.25 O 19.08 -8.62 O 16.66 -12.84 C 13.04 -12.12 C 20.27 -12.12 C 20.27 -10.71 C 14.26 -12.84 C 19.08 -10.00 C 16.66 -10.00 C 17.89 -12.12 C 15.45 -10.71 C 15.45 -12.12 C 17.89 -10.71 1 10 1 2 11 1 3 12 1 4 19 2 5 14 1 6 15 1 7 8 2 7 14 1 8 21 1 9 15 2 9 20 1 10 16 1 11 17 1 12 18 1 13 20 1 13 22 1 14 17 2 15 16 1 16 18 2 17 22 1 18 23 1 19 21 1 19 23 1 20 23 2 21 22 2', '23 25 C:62 22.69 -10.71 C:62 13.04 -14.94 C:62 20.27 -7.93 O 16.66 -8.62 O 11.86 -12.84 O 21.49 -12.84 C:114 13.04 -10.71 C:123 14.26 -10.00 C:101 19.08 -12.84 O 21.49 -10.00 O 14.26 -14.25 O 19.08 -8.62 O 16.66 -12.84 C:156 13.04 -12.12 C:156 20.27 -12.12 C:140 20.27 -10.71 C:136 14.26 -12.84 C:155 19.08 -10.00 C:175 16.66 -10.00 C:158 17.89 -12.12 C:117 15.45 -10.71 C:151 15.45 -12.12 C:111 17.89 -10.71 1 10 1 2 11 1 3 12 1 4 19 2 5 14 1 6 15 1 7 8 2 7 14 1 8 21 1 9 15 2 9 20 1 10 16 1 11 17 1 12 18 1 13 20 1 13 22 1 14 17 2 15 16 1 16 18 2 17 22 1 18 23 1 19 21 1 19 23 1 20 23 2 21 22 2', 'C16H14O7', 318.167, 'A', 'np05_1514_3', 3418, '', '', '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
(13271, 'Calophymembranside A', '', 'Aromatics', 'Biphenyls', '', 'O[CH2:206][C@H:205]3O[C@@H:201]([c:4]2[c:5](O)[cH:6][c:1]([CH:101]1[CH:102]=[CH:103][CH:104]=[CH:105][CH2:106]1)[cH:2][c:3]2O)[C@H:202](O)[C@@H:203](O)[C@@H:204]3O', 'OC[C@H]3O[C@@H](c2c(O)cc(C1C=CC=CC1)cc2O)[C@H](O)[C@@H](O)[C@@H]3O', 'O[CH2:61][C@H:82]3O[C@@H:76]([c:111]2[c:157](O)[cH:107][c:142]([CH:141]1[CH:127]=[CH:129][CH:128]=[CH:129][CH2:127]1)[cH:107][c:157]2O)[C@H:74](O)[C@@H:79](O)[C@@H:70]3O', '25 27 O 15.45 -15.96 O 15.45 -8.95 O 17.86 -13.16 O 11.81 -11.05 O 11.81 -13.86 O 14.24 -9.65 C:104 22.72 -7.55 C:103 21.51 -6.86 C:105 22.72 -8.95 C:102 20.30 -7.55 C:6 17.86 -8.95 C:2 19.07 -11.05 C:206 14.24 -15.26 C:106 21.51 -9.65 O 15.45 -13.16 C:5 16.65 -9.65 C:3 17.86 -11.76 C:1 19.07 -9.65 C:4 16.65 -11.05 C:101 20.30 -8.95 C:203 13.02 -11.76 C:204 13.02 -13.16 C:202 14.24 -11.05 C:205 14.24 -13.86 C:201 15.45 -11.76 1 13 1 2 16 1 3 17 1 21 4 -2 22 5 -1 23 6 -1 7 8 1 7 9 2 8 10 2 9 14 1 10 20 1 11 16 1 11 18 2 12 17 2 12 18 1 24 13 -2 14 20 1 15 24 1 15 25 1 16 19 2 17 19 1 18 20 1 25 19 -2 21 22 1 21 23 1 22 24 1 23 25 1', '25 27 O 15.45 -15.96 O 15.45 -8.95 O 17.86 -13.16 O 11.81 -11.05 O 11.81 -13.86 O 14.24 -9.65 C 22.72 -7.55 C 21.51 -6.86 C 22.72 -8.95 C 20.30 -7.55 C 17.86 -8.95 C 19.07 -11.05 C 14.24 -15.26 C 21.51 -9.65 O 15.45 -13.16 C 16.65 -9.65 C 17.86 -11.76 C 19.07 -9.65 C 16.65 -11.05 C 20.30 -8.95 C 13.02 -11.76 C 13.02 -13.16 C 14.24 -11.05 C 14.24 -13.86 C 15.45 -11.76 1 13 1 2 16 1 3 17 1 21 4 -2 22 5 -1 23 6 -1 7 8 1 7 9 2 8 10 2 9 14 1 10 20 1 11 16 1 11 18 2 12 17 2 12 18 1 24 13 -2 14 20 1 15 24 1 15 25 1 16 19 2 17 19 1 18 20 1 25 19 -2 21 22 1 21 23 1 22 24 1 23 25 1', '25 27 O 15.45 -15.96 O 15.45 -8.95 O 17.86 -13.16 O 11.81 -11.05 O 11.81 -13.86 O 14.24 -9.65 C:128 22.72 -7.55 C:129 21.51 -6.86 C:129 22.72 -8.95 C:127 20.30 -7.55 C:107 17.86 -8.95 C:107 19.07 -11.05 C:61 14.24 -15.26 C:127 21.51 -9.65 O 15.45 -13.16 C:157 16.65 -9.65 C:157 17.86 -11.76 C:142 19.07 -9.65 C:111 16.65 -11.05 C:141 20.30 -8.95 C:79 13.02 -11.76 C:70 13.02 -13.16 C:74 14.24 -11.05 C:82 14.24 -13.86 C:76 15.45 -11.76 1 13 1 2 16 1 3 17 1 21 4 -2 22 5 -1 23 6 -1 7 8 1 7 9 2 8 10 2 9 14 1 10 20 1 11 16 1 11 18 2 12 17 2 12 18 1 24 13 -2 14 20 1 15 24 1 15 25 1 16 19 2 17 19 1 18 20 1 25 19 -2 21 22 1 21 23 1 22 24 1 23 25 1', 'C18H22O7', 350.188, 'A', 'np05_1514_4', 3418, '', '', '1', 1, NULL, NULL),
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(13288, '4-Epieremophil-9-ene-11,12-diol', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:15][C@@H:4]2[CH2:3][CH2:2][CH2:1][C:10]1=[CH:9][CH2:8][C@@H:7]([C:11]([CH3:12])(O)[CH2:13]O)[CH2:6][C@@:5]12[CH3:14]', 'C[C@@H]2CCCC1=CC[C@@H](C(C)(O)CO)C[C@@]12C', '[CH3:18][C@@H:42]2[CH2:30][CH2:22][CH2:32][C:142]1=[CH:120][CH2:26][C@@H:39]([C:74]([CH3:20])(O)[CH2:69]O)[CH2:38][C@@:39]12[CH3:30]', '17 18 C:15 13.16 -12.87 C:12 19.22 -10.78 C:14 14.37 -12.18 O 19.22 -13.57 O 19.22 -12.18 C:9 15.58 -8.67 C:2 11.95 -9.37 C:13 18.00 -12.87 C:8 16.78 -9.37 C:1 13.16 -8.67 C:3 11.95 -10.78 C:6 15.58 -11.48 C:10 14.37 -9.37 C:4 13.16 -11.48 C:7 16.78 -10.78 C:11 18.00 -11.48 C:5 14.37 -10.78 14 1 -2 2 16 1 17 3 -1 4 8 1 5 16 1 6 9 1 6 13 2 7 10 1 7 11 1 8 16 1 9 15 1 10 13 1 11 14 1 12 15 1 12 17 1 13 17 1 14 17 1 15 16 -1', '17 18 C 13.16 -12.87 C 19.22 -10.78 C 14.37 -12.18 O 19.22 -13.57 O 19.22 -12.18 C 15.58 -8.67 C 11.95 -9.37 C 18.00 -12.87 C 16.78 -9.37 C 13.16 -8.67 C 11.95 -10.78 C 15.58 -11.48 C 14.37 -9.37 C 13.16 -11.48 C 16.78 -10.78 C 18.00 -11.48 C 14.37 -10.78 14 1 -2 2 16 1 17 3 -1 4 8 1 5 16 1 6 9 1 6 13 2 7 10 1 7 11 1 8 16 1 9 15 1 10 13 1 11 14 1 12 15 1 12 17 1 13 17 1 14 17 1 15 16 -1', '17 18 C:18 13.16 -12.87 C:20 19.22 -10.78 C:30 14.37 -12.18 O 19.22 -13.57 O 19.22 -12.18 C:120 15.58 -8.67 C:22 11.95 -9.37 C:69 18.00 -12.87 C:26 16.78 -9.37 C:32 13.16 -8.67 C:30 11.95 -10.78 C:38 15.58 -11.48 C:142 14.37 -9.37 C:42 13.16 -11.48 C:39 16.78 -10.78 C:74 18.00 -11.48 C:39 14.37 -10.78 14 1 -2 2 16 1 17 3 -1 4 8 1 5 16 1 6 9 1 6 13 2 7 10 1 7 11 1 8 16 1 9 15 1 10 13 1 11 14 1 12 15 1 12 17 1 13 17 1 14 17 1 15 16 -1', 'C15H26O2', 238.159, 'C', '593_b', 3424, '', '', '2', 1, NULL, NULL),
(13289, 'Danielid', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH2:16]=[C:15]([CH3:17])[C@H:1]1[CH2:14][CH:13]=[C:12]3[C:20](=O)O[C@H:10]([CH2:9][C@@:8]([CH3:19])(O)[C@H:7](O[C:7001]([CH3:7002])=O)[c:6]2[cH:5][c:4]([C:18](=O)O[CH3:18001])[c:3]([CH2:2]1)o2)[C@H:11]3O[C:11001]([CH3:11002])=O', 'C=C(C)[C@H]1CC=C3C(=O)O[C@H](C[C@@](C)(O)[C@H](OC(C)=O)c2cc(C(=O)OC)c(C1)o2)[C@H]3OC(C)=O', '[CH2:111]=[C:147]([CH3:22])[C@H:42]1[CH2:31][CH:149]=[C:128]3[C:168](=O)O[C@H:79]([CH2:40][C@@:74]([CH3:23])(O)[C@H:74](O[C:170]([CH3:21])=O)[c:149]2[cH:108][c:115]([C:164](=O)O[CH3:52])[c:160]([CH2:30]1)o2)[C@H:76]3O[C:171]([CH3:21])=O', '35 37 C:16 20.84 -9.64 C:18001 16.79 -4.54 C:17 20.95 -12.05 C:11002 16.93 -9.97 C:7002 11.32 -7.83 C:19 12.14 -13.08 O 18.20 -11.71 O 13.76 -7.89 O 18.20 -16.64 O 18.38 -6.87 O 12.05 -11.66 C:13 17.52 -12.85 C:5 15.03 -8.44 C:14 18.75 -12.41 C:2 18.32 -9.64 C:9 13.99 -13.77 O 16.19 -5.80 O 16.04 -12.25 O 15.91 -15.82 O 12.49 -9.97 O 16.04 -10.39 C:15 20.19 -10.88 C:11001 17.14 -11.37 C:7001 12.49 -8.57 C:20 17.24 -15.61 C:18 16.98 -6.97 C:12 17.46 -14.27 C:6 14.83 -9.78 C:4 16.37 -8.23 C:3 16.93 -9.44 C:1 18.75 -10.94 C:10 15.29 -14.61 C:11 16.26 -13.64 C:7 13.66 -10.77 C:8 13.32 -12.30 1 22 2 2 17 1 3 22 1 4 23 1 5 24 1 35 6 -2 7 23 2 8 24 2 9 25 2 10 26 2 35 11 -1 12 14 1 12 27 2 13 28 2 13 29 1 14 31 1 15 30 1 15 31 1 16 32 1 16 35 1 17 26 1 18 23 1 33 18 -1 19 25 1 32 19 -2 20 24 1 34 20 -2 21 28 1 21 30 1 31 22 -1 25 27 1 26 29 1 27 33 1 28 34 1 29 30 2 32 33 1 34 35 1', '35 37 C 20.84 -9.64 C 16.79 -4.54 C 20.95 -12.05 C 16.93 -9.97 C 11.32 -7.83 C 12.14 -13.08 O 18.20 -11.71 O 13.76 -7.89 O 18.20 -16.64 O 18.38 -6.87 O 12.05 -11.66 C 17.52 -12.85 C 15.03 -8.44 C 18.75 -12.41 C 18.32 -9.64 C 13.99 -13.77 O 16.19 -5.80 O 16.04 -12.25 O 15.91 -15.82 O 12.49 -9.97 O 16.04 -10.39 C 20.19 -10.88 C 17.14 -11.37 C 12.49 -8.57 C 17.24 -15.61 C 16.98 -6.97 C 17.46 -14.27 C 14.83 -9.78 C 16.37 -8.23 C 16.93 -9.44 C 18.75 -10.94 C 15.29 -14.61 C 16.26 -13.64 C 13.66 -10.77 C 13.32 -12.30 1 22 2 2 17 1 3 22 1 4 23 1 5 24 1 35 6 -2 7 23 2 8 24 2 9 25 2 10 26 2 35 11 -1 12 14 1 12 27 2 13 28 2 13 29 1 14 31 1 15 30 1 15 31 1 16 32 1 16 35 1 17 26 1 18 23 1 33 18 -1 19 25 1 32 19 -2 20 24 1 34 20 -2 21 28 1 21 30 1 31 22 -1 25 27 1 26 29 1 27 33 1 28 34 1 29 30 2 32 33 1 34 35 1', '35 37 C:111 20.84 -9.64 C:52 16.79 -4.54 C:22 20.95 -12.05 C:21 16.93 -9.97 C:21 11.32 -7.83 C:23 12.14 -13.08 O 18.20 -11.71 O 13.76 -7.89 O 18.20 -16.64 O 18.38 -6.87 O 12.05 -11.66 C:149 17.52 -12.85 C:108 15.03 -8.44 C:31 18.75 -12.41 C:30 18.32 -9.64 C:40 13.99 -13.77 O 16.19 -5.80 O 16.04 -12.25 O 15.91 -15.82 O 12.49 -9.97 O 16.04 -10.39 C:147 20.19 -10.88 C:171 17.14 -11.37 C:170 12.49 -8.57 C:168 17.24 -15.61 C:164 16.98 -6.97 C:128 17.46 -14.27 C:149 14.83 -9.78 C:115 16.37 -8.23 C:160 16.93 -9.44 C:42 18.75 -10.94 C:79 15.29 -14.61 C:76 16.26 -13.64 C:74 13.66 -10.77 C:74 13.32 -12.30 1 22 2 2 17 1 3 22 1 4 23 1 5 24 1 35 6 -2 7 23 2 8 24 2 9 25 2 10 26 2 35 11 -1 12 14 1 12 27 2 13 28 2 13 29 1 14 31 1 15 30 1 15 31 1 16 32 1 16 35 1 17 26 1 18 23 1 33 18 -1 19 25 1 32 19 -2 20 24 1 34 20 -2 21 28 1 21 30 1 31 22 -1 25 27 1 26 29 1 27 33 1 28 34 1 29 30 2 32 33 1 34 35 1', 'C25H30O10', 490.262, 'C', 'cb08_2449_1', 3427, '', '', '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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(13305, 'Michaolides H', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@@:1]23[C@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][C@H:9](O[C:9001]([CH3:9002])=O)[C:8]([CH3:19])=[CH:7][CH2:6][C@H:5](O[C:5001]([CH3:5002])=O)[C@:4]1([CH3:18])O[C@H:3]1[C@H:2]2O[C:17](=O)[C@H:15]3[CH2:16]O[CH3:16001]', '[H][C@@]23[C@H](OC(C)=O)CC(C)=CC[C@H](OC(C)=O)C(C)=CC[C@H](OC(C)=O)[C@]1(C)O[C@H]1[C@H]2OC(=O)[C@H]3COC', '[H][C@@:40]23[C@H:71](O[C:171]([CH3:21])=O)[CH2:42][C:133]([CH3:16])=[CH:124][CH2:30][C@H:79](O[C:170]([CH3:21])=O)[C:136]([CH3:11])=[CH:122][CH2:30][C@H:78](O[C:170]([CH3:21])=O)[C@:63]1([CH3:14])O[C@H:62]1[C@H:75]2O[C:175](=O)[C@H:44]3[CH2:69]O[CH3:59]', '38 40 H 19.29 -11.81 C:16001 23.55 -11.74 C:9002 8.75 -14.66 C:5002 13.91 -5.98 C:14002 20.22 -15.01 C:20 15.72 -14.22 C:19 13.63 -11.06 C:18 15.72 -7.89 O 11.12 -15.15 O 12.15 -7.65 O 20.59 -12.62 O 21.14 -8.35 C:11 14.05 -12.43 C:7 11.70 -9.69 C:10 12.88 -13.25 C:6 12.88 -8.84 C:16 21.14 -11.45 C:13 16.48 -11.89 O 22.43 -10.90 O 10.37 -12.85 O 14.45 -8.35 O 18.32 -13.50 O 18.69 -8.76 O 16.74 -8.84 C:9001 10.08 -14.22 C:5001 13.50 -7.32 C:14001 19.71 -13.71 C:12 15.40 -12.85 C:8 12.15 -11.06 C:17 20.01 -9.26 C:9 11.70 -12.43 C:5 14.05 -9.69 C:14 17.86 -12.22 C:15 20.01 -10.61 C:2 17.86 -9.86 C:3 16.48 -10.17 C:1 18.69 -11.06 C:4 15.40 -9.26 37 1 -1 2 19 1 3 25 1 4 26 1 5 27 1 6 28 1 7 29 1 38 8 -1 9 25 2 10 26 2 11 27 2 12 30 2 13 15 1 13 28 2 14 16 1 14 29 2 15 31 1 16 32 1 17 19 1 34 17 -1 18 28 1 18 33 1 20 25 1 31 20 -2 21 26 1 32 21 -2 22 27 1 33 22 -2 23 30 1 35 23 -1 36 24 -1 24 38 1 29 31 1 30 34 1 32 38 1 33 37 1 34 37 1 35 36 1 35 37 1 36 38 1', '38 40 H 19.29 -11.81 C 23.55 -11.74 C 8.75 -14.66 C 13.91 -5.98 C 20.22 -15.01 C 15.72 -14.22 C 13.63 -11.06 C 15.72 -7.89 O 11.12 -15.15 O 12.15 -7.65 O 20.59 -12.62 O 21.14 -8.35 C 14.05 -12.43 C 11.70 -9.69 C 12.88 -13.25 C 12.88 -8.84 C 21.14 -11.45 C 16.48 -11.89 O 22.43 -10.90 O 10.37 -12.85 O 14.45 -8.35 O 18.32 -13.50 O 18.69 -8.76 O 16.74 -8.84 C 10.08 -14.22 C 13.50 -7.32 C 19.71 -13.71 C 15.40 -12.85 C 12.15 -11.06 C 20.01 -9.26 C 11.70 -12.43 C 14.05 -9.69 C 17.86 -12.22 C 20.01 -10.61 C 17.86 -9.86 C 16.48 -10.17 C 18.69 -11.06 C 15.40 -9.26 37 1 -1 2 19 1 3 25 1 4 26 1 5 27 1 6 28 1 7 29 1 38 8 -1 9 25 2 10 26 2 11 27 2 12 30 2 13 15 1 13 28 2 14 16 1 14 29 2 15 31 1 16 32 1 17 19 1 34 17 -1 18 28 1 18 33 1 20 25 1 31 20 -2 21 26 1 32 21 -2 22 27 1 33 22 -2 23 30 1 35 23 -1 36 24 -1 24 38 1 29 31 1 30 34 1 32 38 1 33 37 1 34 37 1 35 36 1 35 37 1 36 38 1', '38 40 H 19.29 -11.81 C:59 23.55 -11.74 C:21 8.75 -14.66 C:21 13.91 -5.98 C:21 20.22 -15.01 C:16 15.72 -14.22 C:11 13.63 -11.06 C:14 15.72 -7.89 O 11.12 -15.15 O 12.15 -7.65 O 20.59 -12.62 O 21.14 -8.35 C:124 14.05 -12.43 C:122 11.70 -9.69 C:30 12.88 -13.25 C:30 12.88 -8.84 C:69 21.14 -11.45 C:42 16.48 -11.89 O 22.43 -10.90 O 10.37 -12.85 O 14.45 -8.35 O 18.32 -13.50 O 18.69 -8.76 O 16.74 -8.84 C:170 10.08 -14.22 C:170 13.50 -7.32 C:171 19.71 -13.71 C:133 15.40 -12.85 C:136 12.15 -11.06 C:175 20.01 -9.26 C:79 11.70 -12.43 C:78 14.05 -9.69 C:71 17.86 -12.22 C:44 20.01 -10.61 C:75 17.86 -9.86 C:62 16.48 -10.17 C:40 18.69 -11.06 C:63 15.40 -9.26 37 1 -1 2 19 1 3 25 1 4 26 1 5 27 1 6 28 1 7 29 1 38 8 -1 9 25 2 10 26 2 11 27 2 12 30 2 13 15 1 13 28 2 14 16 1 14 29 2 15 31 1 16 32 1 17 19 1 34 17 -1 18 28 1 18 33 1 20 25 1 31 20 -2 21 26 1 32 21 -2 22 27 1 33 22 -2 23 30 1 35 23 -1 36 24 -1 24 38 1 29 31 1 30 34 1 32 38 1 33 37 1 34 37 1 35 36 1 35 37 1 36 38 1', 'C27H38O10', 522.291, 'C', 'cpb07_766_8', 3429, '', '', '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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(13307, 'Michaolides J', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@:1]12[C:15](=[CH2:16])[C:17](=O)O[C@@H:2]1[C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:18])(O)[C@@H:5](O[C:5001]([CH3:5002])=O)[CH2:6][CH:7]=[C:8]([CH3:19])[C@@H:9](O[C:9001]([CH3:9002])=O)[CH2:10][CH:11]=[C:12]([CH3:20])[CH2:13][C@H:14]2O[C:14001]([CH3:14002])=O', '[H][C@]12C(=C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(C)=O)CC=C(C)[C@@H](OC(C)=O)CC=C(C)C[C@H]2OC(C)=O', '[H][C@:43]12[C:137](=[CH2:122])[C:170](=O)O[C@@H:79]1[C@@H:75](O[C:170]([CH3:21])=O)[C@@:76]([CH3:23])(O)[C@@H:75](O[C:170]([CH3:21])=O)[CH2:29][CH:123]=[C:135]([CH3:11])[C@@H:79](O[C:171]([CH3:21])=O)[CH2:30][CH:123]=[C:133]([CH3:16])[CH2:41][C@H:76]2O[C:171]([CH3:21])=O', '40 41 H 20.45 -11.70 C:16 22.30 -11.34 C:9002 9.92 -14.55 C:5002 14.05 -6.08 C:14002 21.38 -14.90 C:3002 19.67 -6.97 C:20 16.88 -14.11 C:19 14.80 -10.95 C:18 17.48 -8.09 O 12.30 -15.04 O 12.80 -8.18 O 21.75 -12.51 O 17.33 -6.36 O 22.30 -8.26 O 16.10 -7.83 C:11 15.22 -12.32 C:7 12.88 -9.57 C:10 14.05 -13.14 C:6 14.05 -8.72 C:13 17.64 -11.78 O 11.54 -12.74 O 15.22 -8.18 O 19.48 -13.39 O 17.98 -8.72 O 19.85 -8.64 C:9001 11.25 -14.11 C:5001 14.05 -7.48 C:14001 20.87 -13.60 C:3001 18.33 -7.34 C:12 16.57 -12.74 C:8 13.33 -10.95 C:15 21.17 -10.50 C:17 21.17 -9.14 C:9 12.88 -12.32 C:5 15.22 -9.57 C:14 19.02 -12.11 C:2 19.02 -9.74 C:3 17.64 -10.05 C:1 19.85 -10.95 C:4 16.57 -9.14 39 1 -1 2 32 2 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 8 31 1 40 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 33 2 40 15 -2 16 18 1 16 30 2 17 19 1 17 31 2 18 34 1 19 35 1 20 30 1 20 36 1 21 26 1 34 21 -2 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -2 25 33 1 37 25 -1 31 34 1 32 33 1 32 39 1 35 40 1 36 39 1 37 38 1 37 39 1 38 40 1', '40 41 H 20.45 -11.70 C 22.30 -11.34 C 9.92 -14.55 C 14.05 -6.08 C 21.38 -14.90 C 19.67 -6.97 C 16.88 -14.11 C 14.80 -10.95 C 17.48 -8.09 O 12.30 -15.04 O 12.80 -8.18 O 21.75 -12.51 O 17.33 -6.36 O 22.30 -8.26 O 16.10 -7.83 C 15.22 -12.32 C 12.88 -9.57 C 14.05 -13.14 C 14.05 -8.72 C 17.64 -11.78 O 11.54 -12.74 O 15.22 -8.18 O 19.48 -13.39 O 17.98 -8.72 O 19.85 -8.64 C 11.25 -14.11 C 14.05 -7.48 C 20.87 -13.60 C 18.33 -7.34 C 16.57 -12.74 C 13.33 -10.95 C 21.17 -10.50 C 21.17 -9.14 C 12.88 -12.32 C 15.22 -9.57 C 19.02 -12.11 C 19.02 -9.74 C 17.64 -10.05 C 19.85 -10.95 C 16.57 -9.14 39 1 -1 2 32 2 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 8 31 1 40 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 33 2 40 15 -2 16 18 1 16 30 2 17 19 1 17 31 2 18 34 1 19 35 1 20 30 1 20 36 1 21 26 1 34 21 -2 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -2 25 33 1 37 25 -1 31 34 1 32 33 1 32 39 1 35 40 1 36 39 1 37 38 1 37 39 1 38 40 1', '40 41 H 20.45 -11.70 C:122 22.30 -11.34 C:21 9.92 -14.55 C:21 14.05 -6.08 C:21 21.38 -14.90 C:21 19.67 -6.97 C:16 16.88 -14.11 C:11 14.80 -10.95 C:23 17.48 -8.09 O 12.30 -15.04 O 12.80 -8.18 O 21.75 -12.51 O 17.33 -6.36 O 22.30 -8.26 O 16.10 -7.83 C:123 15.22 -12.32 C:123 12.88 -9.57 C:30 14.05 -13.14 C:29 14.05 -8.72 C:41 17.64 -11.78 O 11.54 -12.74 O 15.22 -8.18 O 19.48 -13.39 O 17.98 -8.72 O 19.85 -8.64 C:171 11.25 -14.11 C:170 14.05 -7.48 C:171 20.87 -13.60 C:170 18.33 -7.34 C:133 16.57 -12.74 C:135 13.33 -10.95 C:137 21.17 -10.50 C:170 21.17 -9.14 C:79 12.88 -12.32 C:75 15.22 -9.57 C:76 19.02 -12.11 C:79 19.02 -9.74 C:75 17.64 -10.05 C:43 19.85 -10.95 C:76 16.57 -9.14 39 1 -1 2 32 2 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 8 31 1 40 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 33 2 40 15 -2 16 18 1 16 30 2 17 19 1 17 31 2 18 34 1 19 35 1 20 30 1 20 36 1 21 26 1 34 21 -2 22 27 1 35 22 -2 23 28 1 36 23 -2 24 29 1 38 24 -2 25 33 1 37 25 -1 31 34 1 32 33 1 32 39 1 35 40 1 36 39 1 37 38 1 37 39 1 38 40 1', 'C28H38O11', 550.301, 'C', 'cpb07_766_10', 3429, '', '', '1', 1, NULL, NULL),
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(13313, 'Sarcophytonolides L', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]2=[CH:7][CH2:6][CH2:5][C:4]1=[CH:3][C@@H:2](O[C:18]1=O)[C@H:1]([CH:15]([CH3:16])[CH3:17])[CH2:14][CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9]2', 'CC2=CCCC1=C[C@@H](OC1=O)[C@H](C(C)C)CCC(C)=CCC2', '[CH3:16][C:136]2=[CH:123][CH2:24][CH2:26][C:132]1=[CH:150][C@@H:83](O[C:173]1=O)[C@H:45]([CH:29]([CH3:18])[CH3:20])[CH2:23][CH2:37][C:133]([CH3:16])=[CH:126][CH2:25][CH2:39]2', '22 23 C:19 13.58 -11.16 C:20 15.59 -14.28 C:16 20.52 -12.35 C:17 20.52 -10.01 O 15.31 -6.92 C:11 14.00 -12.47 C:7 11.75 -9.82 C:3 16.23 -10.39 C:10 12.87 -13.30 C:6 12.87 -9.00 C:9 11.75 -12.47 C:5 14.00 -9.82 C:13 16.36 -11.99 C:14 17.70 -12.28 O 17.31 -8.36 C:8 12.18 -11.16 C:12 15.31 -12.91 C:18 15.95 -8.07 C:4 15.31 -9.39 C:15 19.86 -11.16 C:2 17.60 -10.01 C:1 18.50 -11.16 1 16 1 2 17 1 3 20 1 4 20 1 5 18 2 6 9 1 6 17 2 7 10 1 7 16 2 8 19 2 8 21 1 9 11 1 10 12 1 11 16 1 12 19 1 13 14 1 13 17 1 14 22 1 15 18 1 21 15 -1 18 19 1 22 20 -2 21 22 1', '22 23 C 13.58 -11.16 C 15.59 -14.28 C 20.52 -12.35 C 20.52 -10.01 O 15.31 -6.92 C 14.00 -12.47 C 11.75 -9.82 C 16.23 -10.39 C 12.87 -13.30 C 12.87 -9.00 C 11.75 -12.47 C 14.00 -9.82 C 16.36 -11.99 C 17.70 -12.28 O 17.31 -8.36 C 12.18 -11.16 C 15.31 -12.91 C 15.95 -8.07 C 15.31 -9.39 C 19.86 -11.16 C 17.60 -10.01 C 18.50 -11.16 1 16 1 2 17 1 3 20 1 4 20 1 5 18 2 6 9 1 6 17 2 7 10 1 7 16 2 8 19 2 8 21 1 9 11 1 10 12 1 11 16 1 12 19 1 13 14 1 13 17 1 14 22 1 15 18 1 21 15 -1 18 19 1 22 20 -2 21 22 1', '22 23 C:16 13.58 -11.16 C:16 15.59 -14.28 C:18 20.52 -12.35 C:20 20.52 -10.01 O 15.31 -6.92 C:126 14.00 -12.47 C:123 11.75 -9.82 C:150 16.23 -10.39 C:25 12.87 -13.30 C:24 12.87 -9.00 C:39 11.75 -12.47 C:26 14.00 -9.82 C:37 16.36 -11.99 C:23 17.70 -12.28 O 17.31 -8.36 C:136 12.18 -11.16 C:133 15.31 -12.91 C:173 15.95 -8.07 C:132 15.31 -9.39 C:29 19.86 -11.16 C:83 17.60 -10.01 C:45 18.50 -11.16 1 16 1 2 17 1 3 20 1 4 20 1 5 18 2 6 9 1 6 17 2 7 10 1 7 16 2 8 19 2 8 21 1 9 11 1 10 12 1 11 16 1 12 19 1 13 14 1 13 17 1 14 22 1 15 18 1 21 15 -1 18 19 1 22 20 -2 21 22 1', 'C20H30O2', 302.213, 'C', 'hca07_1574_4', 3430, '', '', '1', 1, NULL, NULL),
(13314, 'Lobophytolides A', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@@:14]12[CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9][C:8]([CH3:19])=[CH:7][CH2:6][CH2:5][C:4]([CH3:18])=[CH:3][CH2:2][C@:1]1([H])[C:15](=[CH2:17])[C:16](=O)O2', '[H][C@@]12CC(C)=CCCC(C)=CCCC(C)=CC[C@]1([H])C(=C)C(=O)O2', '[H][C@@:81]12[CH2:39][C:131]([CH3:16])=[CH:122][CH2:25][CH2:39][C:136]([CH3:16])=[CH:125][CH2:24][CH2:39][C:133]([CH3:17])=[CH:126][CH2:28][C@:45]1([H])[C:140](=[CH2:120])[C:170](=O)O2', '24 25 H 16.99 -12.49 H 19.02 -9.82 C:17 20.91 -10.17 C:19 13.26 -10.57 C:18 15.38 -7.35 C:20 15.38 -13.79 O 20.91 -13.30 C:7 11.37 -9.20 C:11 13.70 -11.93 C:3 16.15 -9.70 C:6 12.53 -8.36 C:10 12.53 -12.78 C:9 11.37 -11.93 C:5 13.70 -9.20 C:2 17.53 -9.39 C:13 16.15 -11.42 O 18.38 -12.90 C:8 11.81 -10.57 C:4 15.07 -8.76 C:12 15.07 -12.38 C:15 19.75 -11.02 C:16 19.75 -12.49 C:14 17.53 -11.73 C:1 18.38 -10.57 23 1 -1 24 2 -1 3 21 2 4 18 1 5 19 1 6 20 1 7 22 2 8 11 1 8 18 2 9 12 1 9 20 2 10 15 1 10 19 2 11 14 1 12 13 1 13 18 1 14 19 1 15 24 1 16 20 1 16 23 1 17 22 1 17 23 1 21 22 1 21 24 1 23 24 1', '24 25 H 16.99 -12.49 H 19.02 -9.82 C 20.91 -10.17 C 13.26 -10.57 C 15.38 -7.35 C 15.38 -13.79 O 20.91 -13.30 C 11.37 -9.20 C 13.70 -11.93 C 16.15 -9.70 C 12.53 -8.36 C 12.53 -12.78 C 11.37 -11.93 C 13.70 -9.20 C 17.53 -9.39 C 16.15 -11.42 O 18.38 -12.90 C 11.81 -10.57 C 15.07 -8.76 C 15.07 -12.38 C 19.75 -11.02 C 19.75 -12.49 C 17.53 -11.73 C 18.38 -10.57 23 1 -1 24 2 -1 3 21 2 4 18 1 5 19 1 6 20 1 7 22 2 8 11 1 8 18 2 9 12 1 9 20 2 10 15 1 10 19 2 11 14 1 12 13 1 13 18 1 14 19 1 15 24 1 16 20 1 16 23 1 17 22 1 17 23 1 21 22 1 21 24 1 23 24 1', '24 25 H 16.99 -12.49 H 19.02 -9.82 C:120 20.91 -10.17 C:16 13.26 -10.57 C:17 15.38 -7.35 C:16 15.38 -13.79 O 20.91 -13.30 C:125 11.37 -9.20 C:122 13.70 -11.93 C:126 16.15 -9.70 C:24 12.53 -8.36 C:25 12.53 -12.78 C:39 11.37 -11.93 C:39 13.70 -9.20 C:28 17.53 -9.39 C:39 16.15 -11.42 O 18.38 -12.90 C:136 11.81 -10.57 C:133 15.07 -8.76 C:131 15.07 -12.38 C:140 19.75 -11.02 C:170 19.75 -12.49 C:81 17.53 -11.73 C:45 18.38 -10.57 23 1 -1 24 2 -1 3 21 2 4 18 1 5 19 1 6 20 1 7 22 2 8 11 1 8 18 2 9 12 1 9 20 2 10 15 1 10 19 2 11 14 1 12 13 1 13 18 1 14 19 1 15 24 1 16 20 1 16 23 1 17 22 1 17 23 1 21 22 1 21 24 1 23 24 1', 'C20H28O2', 300.229, 'C', 'hca08_873_1', 3431, '', '', '1', 1, NULL, NULL),
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(13323, 'Cembrene-1-ol', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]1=[CH:7][CH2:6][CH2:5][C:4]([CH3:18])=[CH:3][CH2:2][C@:1](O)([CH:15]([CH3:17])[CH3:16])[CH2:14][CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9]1', 'CC1=CCCC(C)=CC[C@](O)(C(C)C)CCC(C)=CCC1', '[CH3:15][C:133]1=[CH:126][CH2:25][CH2:40][C:137]([CH3:15])=[CH:121][CH2:35][C@:77](O)([CH:35]([CH3:17])[CH3:17])[CH2:35][CH2:34][C:136]([CH3:16])=[CH:123][CH2:24][CH2:40]1', '21 21 C:19 14.29 -6.40 C:20 13.08 -12.70 C:18 16.71 -10.60 C:17 19.14 -14.80 C:16 16.71 -14.80 O 16.71 -13.40 C:7 15.50 -8.50 C:11 14.29 -10.60 C:3 19.14 -10.60 C:6 16.71 -7.80 C:10 13.08 -9.90 C:9 13.08 -8.50 C:5 17.92 -8.50 C:13 15.50 -12.70 C:2 19.14 -12.00 C:14 16.71 -12.00 C:8 14.29 -7.80 C:12 14.29 -12.00 C:4 17.92 -9.90 C:15 17.92 -14.10 C:1 17.92 -12.70 1 17 1 2 18 1 3 19 1 4 20 1 5 20 1 21 6 -1 7 10 1 7 17 2 8 11 1 8 18 2 9 15 1 9 19 2 10 13 1 11 12 1 12 17 1 13 19 1 14 16 1 14 18 1 15 21 1 16 21 1 21 20 -2', '21 21 C 14.29 -6.40 C 13.08 -12.70 C 16.71 -10.60 C 19.14 -14.80 C 16.71 -14.80 O 16.71 -13.40 C 15.50 -8.50 C 14.29 -10.60 C 19.14 -10.60 C 16.71 -7.80 C 13.08 -9.90 C 13.08 -8.50 C 17.92 -8.50 C 15.50 -12.70 C 19.14 -12.00 C 16.71 -12.00 C 14.29 -7.80 C 14.29 -12.00 C 17.92 -9.90 C 17.92 -14.10 C 17.92 -12.70 1 17 1 2 18 1 3 19 1 4 20 1 5 20 1 21 6 -1 7 10 1 7 17 2 8 11 1 8 18 2 9 15 1 9 19 2 10 13 1 11 12 1 12 17 1 13 19 1 14 16 1 14 18 1 15 21 1 16 21 1 21 20 -2', '21 21 C:15 14.29 -6.40 C:16 13.08 -12.70 C:15 16.71 -10.60 C:17 19.14 -14.80 C:17 16.71 -14.80 O 16.71 -13.40 C:126 15.50 -8.50 C:123 14.29 -10.60 C:121 19.14 -10.60 C:25 16.71 -7.80 C:24 13.08 -9.90 C:40 13.08 -8.50 C:40 17.92 -8.50 C:34 15.50 -12.70 C:35 19.14 -12.00 C:35 16.71 -12.00 C:133 14.29 -7.80 C:136 14.29 -12.00 C:137 17.92 -9.90 C:35 17.92 -14.10 C:77 17.92 -12.70 1 17 1 2 18 1 3 19 1 4 20 1 5 20 1 21 6 -1 7 10 1 7 17 2 8 11 1 8 18 2 9 15 1 9 19 2 10 13 1 11 12 1 12 17 1 13 19 1 14 16 1 14 18 1 15 21 1 16 21 1 21 20 -2', 'C20H34O', 290.213, 'C', 'mrc08_791_3', 3432, '', '', '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
(13324, 'Mukulol', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:19][C:8]1=[CH:7][CH2:6][CH2:5][C:4]([CH3:18])=[CH:3][CH:2](O)[C@H:1]([CH:15]([CH3:17])[CH3:16])[CH2:14][CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9]1', 'CC1=CCCC(C)=CC(O)[C@H](C(C)C)CCC(C)=CCC1', '[CH3:17][C:134]1=[CH:124][CH2:25][CH2:40][C:134]([CH3:15])=[CH:130][CH:68](O)[C@H:47]([CH:30]([CH3:19])[CH3:22])[CH2:22][CH2:30][C:134]([CH3:16])=[CH:124][CH2:24][CH2:36]1', '21 21 C:19 13.72 -6.40 C:20 12.51 -12.70 C:18 16.14 -10.60 C:17 18.57 -14.80 C:16 16.14 -14.80 O 19.79 -12.70 C:7 14.93 -8.50 C:11 13.72 -10.60 C:3 18.57 -10.60 C:10 12.51 -9.90 C:6 16.14 -7.80 C:9 12.51 -8.50 C:5 17.35 -8.50 C:13 14.93 -12.70 C:14 16.14 -12.00 C:8 13.72 -7.80 C:12 13.72 -12.00 C:4 17.35 -9.90 C:15 17.35 -14.10 C:2 18.57 -12.00 C:1 17.35 -12.70 1 16 1 2 17 1 3 18 1 4 19 1 5 19 1 6 20 1 7 11 1 7 16 2 8 10 1 8 17 2 9 18 2 9 20 1 10 12 1 11 13 1 12 16 1 13 18 1 14 15 1 14 17 1 15 21 1 21 19 -2 20 21 1', '21 21 C 13.72 -6.40 C 12.51 -12.70 C 16.14 -10.60 C 18.57 -14.80 C 16.14 -14.80 O 19.79 -12.70 C 14.93 -8.50 C 13.72 -10.60 C 18.57 -10.60 C 12.51 -9.90 C 16.14 -7.80 C 12.51 -8.50 C 17.35 -8.50 C 14.93 -12.70 C 16.14 -12.00 C 13.72 -7.80 C 13.72 -12.00 C 17.35 -9.90 C 17.35 -14.10 C 18.57 -12.00 C 17.35 -12.70 1 16 1 2 17 1 3 18 1 4 19 1 5 19 1 6 20 1 7 11 1 7 16 2 8 10 1 8 17 2 9 18 2 9 20 1 10 12 1 11 13 1 12 16 1 13 18 1 14 15 1 14 17 1 15 21 1 21 19 -2 20 21 1', '21 21 C:17 13.72 -6.40 C:16 12.51 -12.70 C:15 16.14 -10.60 C:19 18.57 -14.80 C:22 16.14 -14.80 O 19.79 -12.70 C:124 14.93 -8.50 C:124 13.72 -10.60 C:130 18.57 -10.60 C:24 12.51 -9.90 C:25 16.14 -7.80 C:36 12.51 -8.50 C:40 17.35 -8.50 C:30 14.93 -12.70 C:22 16.14 -12.00 C:134 13.72 -7.80 C:134 13.72 -12.00 C:134 17.35 -9.90 C:30 17.35 -14.10 C:68 18.57 -12.00 C:47 17.35 -12.70 1 16 1 2 17 1 3 18 1 4 19 1 5 19 1 6 20 1 7 11 1 7 16 2 8 10 1 8 17 2 9 18 2 9 20 1 10 12 1 11 13 1 12 16 1 13 18 1 14 15 1 14 17 1 15 21 1 21 19 -2 20 21 1', 'C20H34O', 290.213, 'C', 'mrc08_791_4', 3432, '', '', '1', 1, NULL, NULL),
(13325, 'Verticillol', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]12[CH2:2][CH:3]=[C:4]([CH3:20])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:19])[CH2:9][CH2:10][C@@:11]([H])([C@:15]1([CH3:16])[CH3:17])[C:12]([CH3:18])(O)[CH2:13][CH2:14]2', '[H][C@]12CC=C(C)CCC=C(C)CC[C@@]([H])([C@]1(C)C)C(C)(O)CC2', '[H][C@:43]12[CH2:34][CH:128]=[C:133]([CH3:13])[CH2:41][CH2:31][CH:130]=[C:133]([CH3:16])[CH2:41][CH2:21][C@@:45]([H])([C@:37]1([CH3:26])[CH3:28])[C:76]([CH3:15])(O)[CH2:41][CH2:29]2', '23 24 H 15.58 -12.53 H 13.74 -8.81 C:20 19.15 -13.85 C:19 18.91 -7.32 C:16 16.55 -9.00 C:17 16.84 -10.78 C:18 11.88 -9.38 O 11.88 -10.78 C:7 18.46 -9.82 C:3 17.93 -11.76 C:6 19.98 -10.08 C:2 16.84 -12.25 C:5 20.39 -11.51 C:9 16.66 -7.89 C:10 15.18 -8.14 C:13 13.10 -11.51 C:14 14.32 -12.25 C:4 19.15 -12.37 C:8 17.93 -8.64 C:15 15.58 -10.08 C:12 13.10 -10.08 C:1 15.58 -11.51 C:11 14.32 -9.38 22 1 -1 23 2 -2 3 18 1 4 19 1 20 5 -1 20 6 -2 7 21 1 8 21 1 9 11 1 9 19 2 10 12 1 10 18 2 11 13 1 12 22 1 13 18 1 14 15 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 20 22 1 20 23 1 21 23 1', '23 24 H 15.58 -12.53 H 13.74 -8.81 C 19.15 -13.85 C 18.91 -7.32 C 16.55 -9.00 C 16.84 -10.78 C 11.88 -9.38 O 11.88 -10.78 C 18.46 -9.82 C 17.93 -11.76 C 19.98 -10.08 C 16.84 -12.25 C 20.39 -11.51 C 16.66 -7.89 C 15.18 -8.14 C 13.10 -11.51 C 14.32 -12.25 C 19.15 -12.37 C 17.93 -8.64 C 15.58 -10.08 C 13.10 -10.08 C 15.58 -11.51 C 14.32 -9.38 22 1 -1 23 2 -2 3 18 1 4 19 1 20 5 -1 20 6 -2 7 21 1 8 21 1 9 11 1 9 19 2 10 12 1 10 18 2 11 13 1 12 22 1 13 18 1 14 15 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 20 22 1 20 23 1 21 23 1', '23 24 H 15.58 -12.53 H 13.74 -8.81 C:13 19.15 -13.85 C:16 18.91 -7.32 C:26 16.55 -9.00 C:28 16.84 -10.78 C:15 11.88 -9.38 O 11.88 -10.78 C:130 18.46 -9.82 C:128 17.93 -11.76 C:31 19.98 -10.08 C:34 16.84 -12.25 C:41 20.39 -11.51 C:41 16.66 -7.89 C:21 15.18 -8.14 C:41 13.10 -11.51 C:29 14.32 -12.25 C:133 19.15 -12.37 C:133 17.93 -8.64 C:37 15.58 -10.08 C:76 13.10 -10.08 C:43 15.58 -11.51 C:45 14.32 -9.38 22 1 -1 23 2 -2 3 18 1 4 19 1 20 5 -1 20 6 -2 7 21 1 8 21 1 9 11 1 9 19 2 10 12 1 10 18 2 11 13 1 12 22 1 13 18 1 14 15 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 20 22 1 20 23 1 21 23 1', 'C20H34O', 290.229, 'C', 'mrc08_791_5', 3432, '', '', '1', 1, NULL, NULL),
(13326, 'Flexusines A', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:18][C:4]1=[CH:3][CH:2]=[C:1]([CH:15]([CH3:16])[CH3:17])[C:14](=O)[CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9][CH:8]([CH3:19])[CH2:7][C:6](=O)[CH2:5]1', 'CC1=CC=C(C(C)C)C(=O)CC(C)=CCCC(C)CC(=O)C1', '[CH3:20][C:135]1=[CH:127][CH:121]=[C:150]([CH:31]([CH3:22])[CH3:22])[C:205](=O)[CH2:53][C:125]([CH3:21])=[CH:130][CH2:25][CH2:37][CH:29]([CH3:20])[CH2:49][C:208](=O)[CH2:54]1', '22 22 C:18 16.71 -10.60 C:20 13.08 -12.70 C:16 16.71 -14.80 C:17 19.14 -14.80 C:19 14.29 -6.40 O 16.71 -6.40 O 16.71 -13.40 C:3 19.14 -10.60 C:2 19.14 -12.00 C:11 14.29 -10.60 C:10 13.08 -9.90 C:9 13.08 -8.50 C:5 17.92 -8.50 C:13 15.50 -12.70 C:7 15.50 -8.50 C:4 17.92 -9.90 C:12 14.29 -12.00 C:6 16.71 -7.80 C:14 16.71 -12.00 C:1 17.92 -12.70 C:15 17.92 -14.10 C:8 14.29 -7.80 1 16 1 2 17 1 3 21 1 4 21 1 5 22 1 6 18 2 7 19 2 8 9 1 8 16 2 9 20 2 10 11 1 10 17 2 11 12 1 12 22 1 13 16 1 13 18 1 14 17 1 14 19 1 15 18 1 15 22 1 19 20 1 20 21 1', '22 22 C 16.71 -10.60 C 13.08 -12.70 C 16.71 -14.80 C 19.14 -14.80 C 14.29 -6.40 O 16.71 -6.40 O 16.71 -13.40 C 19.14 -10.60 C 19.14 -12.00 C 14.29 -10.60 C 13.08 -9.90 C 13.08 -8.50 C 17.92 -8.50 C 15.50 -12.70 C 15.50 -8.50 C 17.92 -9.90 C 14.29 -12.00 C 16.71 -7.80 C 16.71 -12.00 C 17.92 -12.70 C 17.92 -14.10 C 14.29 -7.80 1 16 1 2 17 1 3 21 1 4 21 1 5 22 1 6 18 2 7 19 2 8 9 1 8 16 2 9 20 2 10 11 1 10 17 2 11 12 1 12 22 1 13 16 1 13 18 1 14 17 1 14 19 1 15 18 1 15 22 1 19 20 1 20 21 1', '22 22 C:20 16.71 -10.60 C:21 13.08 -12.70 C:22 16.71 -14.80 C:22 19.14 -14.80 C:20 14.29 -6.40 O 16.71 -6.40 O 16.71 -13.40 C:127 19.14 -10.60 C:121 19.14 -12.00 C:130 14.29 -10.60 C:25 13.08 -9.90 C:37 13.08 -8.50 C:54 17.92 -8.50 C:53 15.50 -12.70 C:49 15.50 -8.50 C:135 17.92 -9.90 C:125 14.29 -12.00 C:208 16.71 -7.80 C:205 16.71 -12.00 C:150 17.92 -12.70 C:31 17.92 -14.10 C:29 14.29 -7.80 1 16 1 2 17 1 3 21 1 4 21 1 5 22 1 6 18 2 7 19 2 8 9 1 8 16 2 9 20 2 10 11 1 10 17 2 11 12 1 12 22 1 13 16 1 13 18 1 14 17 1 14 19 1 15 18 1 15 22 1 19 20 1 20 21 1', 'C20H30O2', 302.213, 'B', 'np08_1262_1', 3433, '', '', '1', 1, NULL, NULL),
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(13342, '', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH2:16]=[C:15]([CH3:17])[C@@H:1]1[CH2:14][CH2:13][C:12]3=[CH:11][C@H:10]([CH2:9][C:8]([CH3:19])=[CH:7][c:6]2[cH:5][c:4]([C:18](=O)O[CH3:18001])[c:3]([CH2:2]1)o2)O[C:20]3=O', 'C=C(C)[C@@H]1CCC3=C[C@H](CC(C)=Cc2cc(C(=O)OC)c(C1)o2)OC3=O', '[CH2:114]=[C:145]([CH3:19])[C@@H:43]1[CH2:32][CH2:20][C:133]3=[CH:152][C@H:79]([CH2:40][C:130]([CH3:26])=[CH:117][c:151]2[cH:111][c:116]([C:164](=O)O[CH3:51])[c:161]([CH2:32]1)o2)O[C:174]3=O', '26 28 C:16 20.48 -10.53 C:18001 16.88 -4.28 C:17 19.76 -12.87 C:19 11.79 -12.13 O 15.85 -16.90 O 18.16 -6.69 C:7 13.01 -10.10 C:11 15.43 -13.27 C:5 14.63 -7.97 C:13 17.35 -13.58 C:14 17.08 -12.13 C:9 13.81 -12.39 C:2 17.79 -9.71 O 16.12 -5.45 O 14.09 -15.11 O 15.30 -10.10 C:15 19.44 -11.44 C:8 13.01 -11.44 C:20 15.43 -15.56 C:12 16.25 -14.40 C:18 16.76 -6.69 C:6 14.19 -9.27 C:3 16.45 -9.27 C:4 16.02 -7.97 C:10 14.09 -13.72 C:1 18.10 -11.06 1 17 2 2 14 1 3 17 1 4 18 1 5 19 2 6 21 2 7 18 2 7 22 1 8 20 2 8 25 1 9 22 2 9 24 1 10 11 1 10 20 1 11 26 1 12 18 1 12 25 1 13 23 1 13 26 1 14 21 1 15 19 1 25 15 -1 16 22 1 16 23 1 26 17 -2 19 20 1 21 24 1 23 24 2', '26 28 C 20.48 -10.53 C 16.88 -4.28 C 19.76 -12.87 C 11.79 -12.13 O 15.85 -16.90 O 18.16 -6.69 C 13.01 -10.10 C 15.43 -13.27 C 14.63 -7.97 C 17.35 -13.58 C 17.08 -12.13 C 13.81 -12.39 C 17.79 -9.71 O 16.12 -5.45 O 14.09 -15.11 O 15.30 -10.10 C 19.44 -11.44 C 13.01 -11.44 C 15.43 -15.56 C 16.25 -14.40 C 16.76 -6.69 C 14.19 -9.27 C 16.45 -9.27 C 16.02 -7.97 C 14.09 -13.72 C 18.10 -11.06 1 17 2 2 14 1 3 17 1 4 18 1 5 19 2 6 21 2 7 18 2 7 22 1 8 20 2 8 25 1 9 22 2 9 24 1 10 11 1 10 20 1 11 26 1 12 18 1 12 25 1 13 23 1 13 26 1 14 21 1 15 19 1 25 15 -1 16 22 1 16 23 1 26 17 -2 19 20 1 21 24 1 23 24 2', '26 28 C:114 20.48 -10.53 C:51 16.88 -4.28 C:19 19.76 -12.87 C:26 11.79 -12.13 O 15.85 -16.90 O 18.16 -6.69 C:117 13.01 -10.10 C:152 15.43 -13.27 C:111 14.63 -7.97 C:20 17.35 -13.58 C:32 17.08 -12.13 C:40 13.81 -12.39 C:32 17.79 -9.71 O 16.12 -5.45 O 14.09 -15.11 O 15.30 -10.10 C:145 19.44 -11.44 C:130 13.01 -11.44 C:174 15.43 -15.56 C:133 16.25 -14.40 C:164 16.76 -6.69 C:151 14.19 -9.27 C:161 16.45 -9.27 C:116 16.02 -7.97 C:79 14.09 -13.72 C:43 18.10 -11.06 1 17 2 2 14 1 3 17 1 4 18 1 5 19 2 6 21 2 7 18 2 7 22 1 8 20 2 8 25 1 9 22 2 9 24 1 10 11 1 10 20 1 11 26 1 12 18 1 12 25 1 13 23 1 13 26 1 14 21 1 15 19 1 25 15 -1 16 22 1 16 23 1 26 17 -2 19 20 1 21 24 1 23 24 2', 'C21H24O5', 356.222, 'C', 'tt07_9057_1', 3436, '', '', '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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(13358, 'Phyllaemblicin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@@:5]25[CH2:4][C@@H:3]([C:15](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[CH2:2][C@H:1](O)[C@:6]2(O)[C:7](=O)[C@:8]4([CH2:9][C@H:10](O[C:10001](=O)[c:10002]3[cH:10003][cH:10004][cH:10005][cH:10006][cH:10007]3)[C@H:11]([CH3:13])[CH2:12]O4)O5', '[H][C@@]25C[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@H](O)[C@]2(O)C(=O)[C@]4(C[C@H](OC(=O)c3ccccc3)[C@H](C)CO4)O5', '[H][C@@:76]25[CH2:29][C@@H:32]([C:176](=O)O[C@@H:96]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:78](O)[C@H:74]1O)[CH2:33][C@H:71](O)[C@:76]2(O)[C:214](=O)[C@:101]4([CH2:33][C@H:71](O[C:168](=O)[c:132]3[cH:131][cH:130][cH:134][cH:130][cH:131]3)[C@H:34]([CH3:13])[CH2:63]O4)O5', '42 46 H 16.40 -12.91 C:13 22.82 -11.19 O 23.55 -9.88 O 12.72 -13.97 O 18.17 -8.69 O 6.63 -10.45 O 15.19 -8.37 O 9.04 -16.08 O 6.63 -14.66 O 11.48 -14.66 O 16.40 -9.06 C:10005 24.93 -5.09 C:10004 25.65 -6.29 C:10006 23.55 -5.09 C:10003 24.93 -7.51 C:10007 22.82 -6.29 C:106 6.63 -11.85 C:12 20.70 -12.40 C:2 13.94 -10.45 C:4 15.19 -12.56 C:9 19.28 -9.96 O 19.28 -12.40 O 21.41 -8.69 O 11.48 -11.85 O 9.04 -11.85 O 17.73 -12.32 C:10001 22.82 -8.69 C:15 12.72 -12.56 C:7 17.73 -10.04 C:10002 23.55 -7.51 C:11 21.41 -11.19 C:1 15.19 -9.77 C:3 13.94 -11.85 C:103 9.04 -14.66 C:104 7.84 -13.97 C:102 10.28 -13.97 C:105 7.84 -12.56 C:10 20.70 -9.96 C:101 10.28 -12.56 C:5 16.40 -11.85 C:8 18.57 -11.19 C:6 16.40 -10.45 40 1 -1 31 2 -2 3 27 2 4 28 2 5 29 2 6 17 1 32 7 -2 34 8 -1 35 9 -2 36 10 -2 42 11 -1 12 13 2 12 14 1 13 15 1 14 16 2 15 30 2 16 30 1 37 17 -1 18 22 1 18 31 1 19 32 1 19 33 1 20 33 1 20 40 1 21 38 1 41 21 -2 41 22 -1 23 27 1 38 23 -2 24 28 1 39 24 -1 25 37 1 25 39 1 26 40 1 26 41 1 27 30 1 33 28 -1 29 41 1 29 42 1 31 38 1 32 42 1 34 35 1 34 36 1 35 37 1 36 39 1 40 42 1', '42 46 H 16.40 -12.91 C 22.82 -11.19 O 23.55 -9.88 O 12.72 -13.97 O 18.17 -8.69 O 6.63 -10.45 O 15.19 -8.37 O 9.04 -16.08 O 6.63 -14.66 O 11.48 -14.66 O 16.40 -9.06 C 24.93 -5.09 C 25.65 -6.29 C 23.55 -5.09 C 24.93 -7.51 C 22.82 -6.29 C 6.63 -11.85 C 20.70 -12.40 C 13.94 -10.45 C 15.19 -12.56 C 19.28 -9.96 O 19.28 -12.40 O 21.41 -8.69 O 11.48 -11.85 O 9.04 -11.85 O 17.73 -12.32 C 22.82 -8.69 C 12.72 -12.56 C 17.73 -10.04 C 23.55 -7.51 C 21.41 -11.19 C 15.19 -9.77 C 13.94 -11.85 C 9.04 -14.66 C 7.84 -13.97 C 10.28 -13.97 C 7.84 -12.56 C 20.70 -9.96 C 10.28 -12.56 C 16.40 -11.85 C 18.57 -11.19 C 16.40 -10.45 40 1 -1 31 2 -2 3 27 2 4 28 2 5 29 2 6 17 1 32 7 -2 34 8 -1 35 9 -2 36 10 -2 42 11 -1 12 13 2 12 14 1 13 15 1 14 16 2 15 30 2 16 30 1 37 17 -1 18 22 1 18 31 1 19 32 1 19 33 1 20 33 1 20 40 1 21 38 1 41 21 -2 41 22 -1 23 27 1 38 23 -2 24 28 1 39 24 -1 25 37 1 25 39 1 26 40 1 26 41 1 27 30 1 33 28 -1 29 41 1 29 42 1 31 38 1 32 42 1 34 35 1 34 36 1 35 37 1 36 39 1 40 42 1', '42 46 H 16.40 -12.91 C:13 22.82 -11.19 O 23.55 -9.88 O 12.72 -13.97 O 18.17 -8.69 O 6.63 -10.45 O 15.19 -8.37 O 9.04 -16.08 O 6.63 -14.66 O 11.48 -14.66 O 16.40 -9.06 C:134 24.93 -5.09 C:130 25.65 -6.29 C:130 23.55 -5.09 C:131 24.93 -7.51 C:131 22.82 -6.29 C:62 6.63 -11.85 C:63 20.70 -12.40 C:33 13.94 -10.45 C:29 15.19 -12.56 C:33 19.28 -9.96 O 19.28 -12.40 O 21.41 -8.69 O 11.48 -11.85 O 9.04 -11.85 O 17.73 -12.32 C:168 22.82 -8.69 C:176 12.72 -12.56 C:214 17.73 -10.04 C:132 23.55 -7.51 C:34 21.41 -11.19 C:71 15.19 -9.77 C:32 13.94 -11.85 C:78 9.04 -14.66 C:71 7.84 -13.97 C:74 10.28 -13.97 C:79 7.84 -12.56 C:71 20.70 -9.96 C:96 10.28 -12.56 C:76 16.40 -11.85 C:101 18.57 -11.19 C:76 16.40 -10.45 40 1 -1 31 2 -2 3 27 2 4 28 2 5 29 2 6 17 1 32 7 -2 34 8 -1 35 9 -2 36 10 -2 42 11 -1 12 13 2 12 14 1 13 15 1 14 16 2 15 30 2 16 30 1 37 17 -1 18 22 1 18 31 1 19 32 1 19 33 1 20 33 1 20 40 1 21 38 1 41 21 -2 41 22 -1 23 27 1 38 23 -2 24 28 1 39 24 -1 25 37 1 25 39 1 26 40 1 26 41 1 27 30 1 33 28 -1 29 41 1 29 42 1 31 38 1 32 42 1 34 35 1 34 36 1 35 37 1 36 39 1 40 42 1', 'C27H34O14', 582.288, 'M', 'np00_1507_3', 3441, '', '', '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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(13360, 'Phyllaemblicin C', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@@:5]47[CH2:4][C@@H:3]([C:15](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O[C@@H:301]3O[CH2:305][C@H:304](O)[C@H:303](O)[C@H:302]3O)[CH2:2][C@H:1](O)[C@:6]4(O)[C:7](=O)[C@:8]6([CH2:9][C@H:10](O[C:10001](=O)[c:10002]5[cH:10003][cH:10004][cH:10005][cH:10006][cH:10007]5)[C@H:11]([CH3:13])[CH2:12]O6)O7', '[H][C@@]47C[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@H](O)[C@]4(O)C(=O)[C@]6(C[C@H](OC(=O)c5ccccc5)[C@H](C)CO6)O7', '[H][C@@:76]47[CH2:30][C@@H:32]([C:176](=O)O[C@@H:94]1O[C@H:79]([CH2:62]O)[C@@H:70](O)[C@H:78](O)[C@H:85]1O[C@@H:105]2O[C@H:78]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:85]2O[C@@H:107]3O[CH2:68][C@H:70](O)[C@H:74](O)[C@H:74]3O)[CH2:32][C@H:72](O)[C@:75]4(O)[C:214](=O)[C@:101]6([CH2:33][C@H:71](O[C:168](=O)[c:132]5[cH:131][cH:130][cH:135][cH:130][cH:131]5)[C@H:34]([CH3:13])[CH2:63]O6)O7', '62 68 H 16.40 -10.83 C:13 22.82 -9.11 O 23.55 -7.80 O 12.71 -11.89 O 18.17 -6.62 O 6.63 -8.37 O 7.85 -16.09 O 18.74 -16.85 O 15.19 -6.30 O 18.74 -14.01 O 6.63 -12.59 O 11.50 -18.19 O 16.31 -12.59 O 9.06 -14.01 O 13.91 -16.79 O 16.40 -6.99 C:10005 24.93 -3.02 C:10004 25.65 -4.22 C:10006 23.55 -3.02 C:10003 24.93 -5.44 C:10007 22.82 -4.22 C:106 6.63 -9.77 C:206 9.06 -16.79 C:12 20.70 -10.32 C:305 16.31 -16.79 C:2 13.91 -8.37 C:4 15.19 -10.48 C:9 19.28 -7.88 O 15.11 -16.09 O 19.28 -10.32 O 21.41 -6.62 O 11.50 -9.77 O 9.06 -9.77 O 10.27 -14.69 O 13.91 -14.01 O 11.50 -12.59 O 17.73 -10.24 C:10001 22.82 -6.62 C:15 12.71 -10.48 C:7 17.73 -7.96 C:10002 23.55 -5.44 C:11 21.41 -9.11 C:304 17.53 -16.14 C:1 15.19 -7.69 C:3 13.91 -9.77 C:303 17.53 -14.69 C:104 7.85 -11.89 C:204 11.50 -16.79 C:302 16.31 -14.01 C:103 9.06 -12.59 C:203 12.71 -16.09 C:105 7.85 -10.48 C:205 10.27 -16.09 C:10 20.70 -7.88 C:301 15.11 -14.72 C:101 10.27 -10.48 C:201 11.50 -14.01 C:102 10.27 -11.89 C:202 12.71 -14.69 C:5 16.40 -9.77 C:8 18.57 -9.11 C:6 16.40 -8.37 60 1 -1 42 2 -2 3 38 2 4 39 2 5 40 2 6 22 1 7 23 1 43 8 -1 44 9 -2 46 10 -1 47 11 -2 48 12 -2 49 13 -2 50 14 -1 51 15 -1 62 16 -1 17 18 2 17 19 1 18 20 1 19 21 2 20 41 2 21 41 1 52 22 -1 53 23 -1 24 30 1 24 42 1 25 29 1 25 43 1 26 44 1 26 45 1 27 45 1 27 60 1 28 54 1 61 28 -2 29 55 1 61 30 -1 31 38 1 54 31 -2 32 39 1 56 32 -1 33 52 1 33 56 1 34 53 1 34 57 1 55 35 -1 59 35 -2 57 36 -1 58 36 -2 37 60 1 37 61 1 38 41 1 45 39 -1 40 61 1 40 62 1 42 54 1 43 46 1 44 62 1 46 49 1 47 50 1 47 52 1 48 51 1 48 53 1 49 55 1 50 58 1 51 59 1 56 58 1 57 59 1 60 62 1', '62 68 H 16.40 -10.83 C 22.82 -9.11 O 23.55 -7.80 O 12.71 -11.89 O 18.17 -6.62 O 6.63 -8.37 O 7.85 -16.09 O 18.74 -16.85 O 15.19 -6.30 O 18.74 -14.01 O 6.63 -12.59 O 11.50 -18.19 O 16.31 -12.59 O 9.06 -14.01 O 13.91 -16.79 O 16.40 -6.99 C 24.93 -3.02 C 25.65 -4.22 C 23.55 -3.02 C 24.93 -5.44 C 22.82 -4.22 C 6.63 -9.77 C 9.06 -16.79 C 20.70 -10.32 C 16.31 -16.79 C 13.91 -8.37 C 15.19 -10.48 C 19.28 -7.88 O 15.11 -16.09 O 19.28 -10.32 O 21.41 -6.62 O 11.50 -9.77 O 9.06 -9.77 O 10.27 -14.69 O 13.91 -14.01 O 11.50 -12.59 O 17.73 -10.24 C 22.82 -6.62 C 12.71 -10.48 C 17.73 -7.96 C 23.55 -5.44 C 21.41 -9.11 C 17.53 -16.14 C 15.19 -7.69 C 13.91 -9.77 C 17.53 -14.69 C 7.85 -11.89 C 11.50 -16.79 C 16.31 -14.01 C 9.06 -12.59 C 12.71 -16.09 C 7.85 -10.48 C 10.27 -16.09 C 20.70 -7.88 C 15.11 -14.72 C 10.27 -10.48 C 11.50 -14.01 C 10.27 -11.89 C 12.71 -14.69 C 16.40 -9.77 C 18.57 -9.11 C 16.40 -8.37 60 1 -1 42 2 -2 3 38 2 4 39 2 5 40 2 6 22 1 7 23 1 43 8 -1 44 9 -2 46 10 -1 47 11 -2 48 12 -2 49 13 -2 50 14 -1 51 15 -1 62 16 -1 17 18 2 17 19 1 18 20 1 19 21 2 20 41 2 21 41 1 52 22 -1 53 23 -1 24 30 1 24 42 1 25 29 1 25 43 1 26 44 1 26 45 1 27 45 1 27 60 1 28 54 1 61 28 -2 29 55 1 61 30 -1 31 38 1 54 31 -2 32 39 1 56 32 -1 33 52 1 33 56 1 34 53 1 34 57 1 55 35 -1 59 35 -2 57 36 -1 58 36 -2 37 60 1 37 61 1 38 41 1 45 39 -1 40 61 1 40 62 1 42 54 1 43 46 1 44 62 1 46 49 1 47 50 1 47 52 1 48 51 1 48 53 1 49 55 1 50 58 1 51 59 1 56 58 1 57 59 1 60 62 1', '62 68 H 16.40 -10.83 C:13 22.82 -9.11 O 23.55 -7.80 O 12.71 -11.89 O 18.17 -6.62 O 6.63 -8.37 O 7.85 -16.09 O 18.74 -16.85 O 15.19 -6.30 O 18.74 -14.01 O 6.63 -12.59 O 11.50 -18.19 O 16.31 -12.59 O 9.06 -14.01 O 13.91 -16.79 O 16.40 -6.99 C:135 24.93 -3.02 C:130 25.65 -4.22 C:130 23.55 -3.02 C:131 24.93 -5.44 C:131 22.82 -4.22 C:62 6.63 -9.77 C:61 9.06 -16.79 C:63 20.70 -10.32 C:68 16.31 -16.79 C:32 13.91 -8.37 C:30 15.19 -10.48 C:33 19.28 -7.88 O 15.11 -16.09 O 19.28 -10.32 O 21.41 -6.62 O 11.50 -9.77 O 9.06 -9.77 O 10.27 -14.69 O 13.91 -14.01 O 11.50 -12.59 O 17.73 -10.24 C:168 22.82 -6.62 C:176 12.71 -10.48 C:214 17.73 -7.96 C:132 23.55 -5.44 C:34 21.41 -9.11 C:70 17.53 -16.14 C:72 15.19 -7.69 C:32 13.91 -9.77 C:74 17.53 -14.69 C:70 7.85 -11.89 C:70 11.50 -16.79 C:74 16.31 -14.01 C:78 9.06 -12.59 C:77 12.71 -16.09 C:79 7.85 -10.48 C:78 10.27 -16.09 C:71 20.70 -7.88 C:107 15.11 -14.72 C:94 10.27 -10.48 C:105 11.50 -14.01 C:85 10.27 -11.89 C:85 12.71 -14.69 C:76 16.40 -9.77 C:101 18.57 -9.11 C:75 16.40 -8.37 60 1 -1 42 2 -2 3 38 2 4 39 2 5 40 2 6 22 1 7 23 1 43 8 -1 44 9 -2 46 10 -1 47 11 -2 48 12 -2 49 13 -2 50 14 -1 51 15 -1 62 16 -1 17 18 2 17 19 1 18 20 1 19 21 2 20 41 2 21 41 1 52 22 -1 53 23 -1 24 30 1 24 42 1 25 29 1 25 43 1 26 44 1 26 45 1 27 45 1 27 60 1 28 54 1 61 28 -2 29 55 1 61 30 -1 31 38 1 54 31 -2 32 39 1 56 32 -1 33 52 1 33 56 1 34 53 1 34 57 1 55 35 -1 59 35 -2 57 36 -1 58 36 -2 37 60 1 37 61 1 38 41 1 45 39 -1 40 61 1 40 62 1 42 54 1 43 46 1 44 62 1 46 49 1 47 50 1 47 52 1 48 51 1 48 53 1 49 55 1 50 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(13377, '', '2-Carboxylmethylphenol 1-O-β-D-glucopyranoside', 'Aromatics', 'Phenyl-alkanoids', 'Phenylethanoids', 'O=[C:8](O)[CH2:7][c:1]1[cH:6][cH:5][cH:4][cH:3][c:2]1O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O', 'O=C(O)Cc1ccccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O', 'O=[C:178](O)[CH2:38][c:127]1[cH:132][cH:130][cH:124][cH:117][c:157]1O[C@@H:103]2O[C@H:78]([CH2:63]O)[C@@H:71](O)[C@H:78](O)[C@H:75]2O', '22 23 O 17.35 -8.44 O 19.78 -12.66 O 18.57 -6.34 O 13.72 -13.39 O 16.14 -14.78 O 13.72 -10.58 C:5 12.52 -7.04 C:4 12.52 -8.45 C:6 13.72 -6.34 C:3 13.72 -9.13 C:106 18.57 -13.37 C:7 16.14 -6.34 O 16.14 -9.18 O 17.35 -11.28 C:8 17.35 -7.04 C:1 14.93 -7.04 C:2 14.93 -8.45 C:103 14.93 -12.68 C:104 16.14 -13.38 C:102 14.93 -11.28 C:105 17.35 -12.68 C:101 16.14 -10.58 1 15 2 2 11 1 3 15 1 18 4 -2 19 5 -1 20 6 -1 7 8 2 7 9 1 8 10 1 9 16 2 10 17 2 21 11 -2 12 15 1 12 16 1 13 17 1 22 13 -2 14 21 1 14 22 1 16 17 1 18 19 1 18 20 1 19 21 1 20 22 1', '22 23 O 17.35 -8.44 O 19.78 -12.66 O 18.57 -6.34 O 13.72 -13.39 O 16.14 -14.78 O 13.72 -10.58 C 12.52 -7.04 C 12.52 -8.45 C 13.72 -6.34 C 13.72 -9.13 C 18.57 -13.37 C 16.14 -6.34 O 16.14 -9.18 O 17.35 -11.28 C 17.35 -7.04 C 14.93 -7.04 C 14.93 -8.45 C 14.93 -12.68 C 16.14 -13.38 C 14.93 -11.28 C 17.35 -12.68 C 16.14 -10.58 1 15 2 2 11 1 3 15 1 18 4 -2 19 5 -1 20 6 -1 7 8 2 7 9 1 8 10 1 9 16 2 10 17 2 21 11 -2 12 15 1 12 16 1 13 17 1 22 13 -2 14 21 1 14 22 1 16 17 1 18 19 1 18 20 1 19 21 1 20 22 1', '22 23 O 17.35 -8.44 O 19.78 -12.66 O 18.57 -6.34 O 13.72 -13.39 O 16.14 -14.78 O 13.72 -10.58 C:130 12.52 -7.04 C:124 12.52 -8.45 C:132 13.72 -6.34 C:117 13.72 -9.13 C:63 18.57 -13.37 C:38 16.14 -6.34 O 16.14 -9.18 O 17.35 -11.28 C:178 17.35 -7.04 C:127 14.93 -7.04 C:157 14.93 -8.45 C:78 14.93 -12.68 C:71 16.14 -13.38 C:75 14.93 -11.28 C:78 17.35 -12.68 C:103 16.14 -10.58 1 15 2 2 11 1 3 15 1 18 4 -2 19 5 -1 20 6 -1 7 8 2 7 9 1 8 10 1 9 16 2 10 17 2 21 11 -2 12 15 1 12 16 1 13 17 1 22 13 -2 14 21 1 14 22 1 16 17 1 18 19 1 18 20 1 19 21 1 20 22 1', 'C14H18O8', 314.145, 'M', 'np01_870_4', 3445, '', '', '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
(13394, 'Isosativenetriol', '', 'Terpenoids', 'Sesquiterpenoids', 'Isosativanes', '[H][C@@:1]13[C:2](=[CH2:12])[C@:3]2([CH3:8])[CH2:4][CH2:5][C@H:6]([C:9]([CH3:10])([CH3:11])O)[C@:7]([H])([C@H:15]1O)[C@:13]2([H])[CH:14]3O', '[H][C@@]13C(=C)[C@]2(C)CC[C@H](C(C)(C)O)[C@]([H])([C@H]1O)[C@]2([H])C3O', '[H][C@@:60]13[C:157](=[CH2:106])[C@:42]2([CH3:29])[CH2:39][CH2:21][C@H:49]([C:74]([CH3:29])([CH3:27])O)[C@:46]([H])([C@H:76]1O)[C@:57]2([H])[CH:79]3O', '21 23 H 17.54 -13.08 H 14.78 -10.82 H 16.74 -10.12 C:12 19.14 -12.51 C:10 13.02 -8.97 C:11 14.29 -6.83 C:8 19.20 -11.15 O 14.29 -12.51 O 14.59 -14.29 O 13.02 -7.55 C:5 16.74 -8.25 C:4 17.97 -8.97 C:2 17.97 -11.82 C:15 15.51 -11.82 C:14 15.51 -13.24 C:6 15.51 -8.97 C:9 14.29 -8.25 C:1 16.74 -12.51 C:7 15.51 -10.44 C:13 16.74 -11.15 C:3 17.97 -10.44 18 1 -2 19 2 -2 20 3 -2 4 13 2 5 17 1 6 17 1 21 7 -2 14 8 -2 9 15 1 10 17 1 11 12 1 11 16 1 12 21 1 13 18 1 13 21 1 14 18 1 14 19 1 15 18 1 15 20 1 16 17 -1 16 19 1 19 20 1 20 21 1', '21 23 H 17.54 -13.08 H 14.78 -10.82 H 16.74 -10.12 C 19.14 -12.51 C 13.02 -8.97 C 14.29 -6.83 C 19.20 -11.15 O 14.29 -12.51 O 14.59 -14.29 O 13.02 -7.55 C 16.74 -8.25 C 17.97 -8.97 C 17.97 -11.82 C 15.51 -11.82 C 15.51 -13.24 C 15.51 -8.97 C 14.29 -8.25 C 16.74 -12.51 C 15.51 -10.44 C 16.74 -11.15 C 17.97 -10.44 18 1 -2 19 2 -2 20 3 -2 4 13 2 5 17 1 6 17 1 21 7 -2 14 8 -2 9 15 1 10 17 1 11 12 1 11 16 1 12 21 1 13 18 1 13 21 1 14 18 1 14 19 1 15 18 1 15 20 1 16 17 -1 16 19 1 19 20 1 20 21 1', '21 23 H 17.54 -13.08 H 14.78 -10.82 H 16.74 -10.12 C:106 19.14 -12.51 C:29 13.02 -8.97 C:27 14.29 -6.83 C:29 19.20 -11.15 O 14.29 -12.51 O 14.59 -14.29 O 13.02 -7.55 C:21 16.74 -8.25 C:39 17.97 -8.97 C:157 17.97 -11.82 C:76 15.51 -11.82 C:79 15.51 -13.24 C:49 15.51 -8.97 C:74 14.29 -8.25 C:60 16.74 -12.51 C:46 15.51 -10.44 C:57 16.74 -11.15 C:42 17.97 -10.44 18 1 -2 19 2 -2 20 3 -2 4 13 2 5 17 1 6 17 1 21 7 -2 14 8 -2 9 15 1 10 17 1 11 12 1 11 16 1 12 21 1 13 18 1 13 21 1 14 18 1 14 19 1 15 18 1 15 20 1 16 17 -1 16 19 1 19 20 1 20 21 1', 'C15H24O3', 252.183, 'M', 'np02_306_1', 3448, '', '', '1', 1, NULL, NULL),
(13395, 'Drechslerine A', '', 'Terpenoids', 'Sesquiterpenoids', 'Sativanes', '[H][C@:7]12[CH:1]=[C:2]([CH2:12]O)[C@:3]([CH3:8])([CH2:4][CH2:5][C@@H:6]1[CH:9]([CH3:11])[CH3:10])[C@@:13]2([H])[CH2:14]O', '[H][C@]12C=C(CO)[C@](C)(CC[C@@H]1C(C)C)[C@@]2([H])CO', '[H][C@:44]12[CH:124]=[C:147]([CH2:60]O)[C@:48]([CH3:19])([CH2:36][CH2:26][C@@H:45]1[CH:34]([CH3:21])[CH3:22])[C@@:64]2([H])[CH2:63]O', '18 19 H 14.81 -10.84 H 16.78 -10.14 C:11 14.27 -6.84 C:10 13.04 -9.00 C:8 19.26 -11.17 O 18.00 -14.30 O 15.56 -13.22 C:1 15.81 -11.84 C:12 18.55 -13.01 C:14 16.78 -12.53 C:5 16.78 -8.27 C:4 18.00 -9.00 C:2 17.71 -11.84 C:9 14.27 -8.27 C:6 15.50 -9.00 C:7 15.50 -10.45 C:13 16.78 -11.17 C:3 18.00 -10.45 16 1 -2 17 2 -2 3 14 1 4 14 1 18 5 -2 6 9 1 7 10 1 8 13 2 8 16 1 9 13 1 10 17 1 11 12 1 11 15 1 12 18 1 13 18 1 15 14 -1 15 16 1 16 17 1 17 18 1', '18 19 H 14.81 -10.84 H 16.78 -10.14 C 14.27 -6.84 C 13.04 -9.00 C 19.26 -11.17 O 18.00 -14.30 O 15.56 -13.22 C 15.81 -11.84 C 18.55 -13.01 C 16.78 -12.53 C 16.78 -8.27 C 18.00 -9.00 C 17.71 -11.84 C 14.27 -8.27 C 15.50 -9.00 C 15.50 -10.45 C 16.78 -11.17 C 18.00 -10.45 16 1 -2 17 2 -2 3 14 1 4 14 1 18 5 -2 6 9 1 7 10 1 8 13 2 8 16 1 9 13 1 10 17 1 11 12 1 11 15 1 12 18 1 13 18 1 15 14 -1 15 16 1 16 17 1 17 18 1', '18 19 H 14.81 -10.84 H 16.78 -10.14 C:21 14.27 -6.84 C:22 13.04 -9.00 C:19 19.26 -11.17 O 18.00 -14.30 O 15.56 -13.22 C:124 15.81 -11.84 C:60 18.55 -13.01 C:63 16.78 -12.53 C:26 16.78 -8.27 C:36 18.00 -9.00 C:147 17.71 -11.84 C:34 14.27 -8.27 C:45 15.50 -9.00 C:44 15.50 -10.45 C:64 16.78 -11.17 C:48 18.00 -10.45 16 1 -2 17 2 -2 3 14 1 4 14 1 18 5 -2 6 9 1 7 10 1 8 13 2 8 16 1 9 13 1 10 17 1 11 12 1 11 15 1 12 18 1 13 18 1 15 14 -1 15 16 1 16 17 1 17 18 1', 'C14H24O2', 224.164, 'M', 'np02_306_2', 3448, '', '', '1', 1, NULL, NULL),
(13396, 'Drechslerine B', '', 'Terpenoids', 'Sesquiterpenoids', 'Sativanes', '[H][C@@:13]1([CH2:14]O)[C@@:3]2([CH3:8])[CH2:4][CH2:5][C@H:6]([CH:9]([CH3:11])[CH3:10])[C@:7]1([H])[C:1]3=[C:2]2[CH2:12]O[C:15]3=O', '[H][C@@]1(CO)[C@@]2(C)CC[C@H](C(C)C)[C@]1([H])C3=C2COC3=O', '[H][C@@:68]1([CH2:62]O)[C@@:48]2([CH3:18])[CH2:36][CH2:27][C@H:45]([CH:34]([CH3:21])[CH3:22])[C@:41]1([H])[C:135]3=[C:181]2[CH2:69]O[C:174]3=O', '20 22 H 16.73 -10.17 H 14.79 -10.86 C:11 14.24 -6.87 C:10 13.03 -9.03 C:8 19.21 -11.18 O 14.31 -13.59 O 17.74 -14.33 C:14 16.72 -12.55 C:5 16.71 -8.28 C:12 17.82 -13.15 C:4 17.96 -9.03 O 16.71 -13.95 C:15 15.60 -13.15 C:2 17.45 -11.84 C:1 15.97 -11.84 C:9 14.24 -8.28 C:6 15.47 -9.03 C:13 16.73 -11.18 C:3 17.96 -10.47 C:7 15.47 -10.47 18 1 -2 20 2 -2 3 16 1 4 16 1 19 5 -2 6 13 2 7 8 1 8 18 1 9 11 1 9 17 1 10 12 1 10 14 1 11 19 1 12 13 1 13 15 1 14 15 2 14 19 1 15 20 1 17 16 -1 17 20 1 18 19 1 18 20 1', '20 22 H 16.73 -10.17 H 14.79 -10.86 C 14.24 -6.87 C 13.03 -9.03 C 19.21 -11.18 O 14.31 -13.59 O 17.74 -14.33 C 16.72 -12.55 C 16.71 -8.28 C 17.82 -13.15 C 17.96 -9.03 O 16.71 -13.95 C 15.60 -13.15 C 17.45 -11.84 C 15.97 -11.84 C 14.24 -8.28 C 15.47 -9.03 C 16.73 -11.18 C 17.96 -10.47 C 15.47 -10.47 18 1 -2 20 2 -2 3 16 1 4 16 1 19 5 -2 6 13 2 7 8 1 8 18 1 9 11 1 9 17 1 10 12 1 10 14 1 11 19 1 12 13 1 13 15 1 14 15 2 14 19 1 15 20 1 17 16 -1 17 20 1 18 19 1 18 20 1', '20 22 H 16.73 -10.17 H 14.79 -10.86 C:21 14.24 -6.87 C:22 13.03 -9.03 C:18 19.21 -11.18 O 14.31 -13.59 O 17.74 -14.33 C:62 16.72 -12.55 C:27 16.71 -8.28 C:69 17.82 -13.15 C:36 17.96 -9.03 O 16.71 -13.95 C:174 15.60 -13.15 C:181 17.45 -11.84 C:135 15.97 -11.84 C:34 14.24 -8.28 C:45 15.47 -9.03 C:68 16.73 -11.18 C:48 17.96 -10.47 C:41 15.47 -10.47 18 1 -2 20 2 -2 3 16 1 4 16 1 19 5 -2 6 13 2 7 8 1 8 18 1 9 11 1 9 17 1 10 12 1 10 14 1 11 19 1 12 13 1 13 15 1 14 15 2 14 19 1 15 20 1 17 16 -1 17 20 1 18 19 1 18 20 1', 'C15H22O3', 250.175, 'M', 'np02_306_3', 3448, '', '', '1', 1, NULL, NULL),
(13397, 'Helminthosporol', '', 'Terpenoids', 'Sesquiterpenoids', 'Sativanes', '[H][C@:13]1([CH2:14]O)[C@@:7]2([H])[C:1]([CH:15]=O)=[C:2]([CH3:12])[C@:3]1([CH3:8])[CH2:4][CH2:5][C@@H:6]2[CH:9]([CH3:11])[CH3:10]', '[H][C@]1(CO)[C@@]2([H])C(C=O)=C(C)[C@]1(C)CC[C@@H]2C(C)C', '[H][C@:61]1([CH2:63]O)[C@@:41]2([H])[C:137]([CH:188]=O)=[C:166]([CH3:11])[C@:51]1([CH3:18])[CH2:34][CH2:25][C@@H:45]2[CH:32]([CH3:21])[CH3:22]', '19 20 H 16.73 -10.71 H 14.76 -11.41 C:12 18.51 -13.59 C:11 14.22 -7.41 C:10 12.99 -9.56 C:8 19.23 -11.74 O 13.67 -13.59 O 17.96 -13.78 C:15 15.07 -13.59 C:14 16.73 -13.10 C:5 16.73 -8.84 C:4 17.96 -9.56 C:2 17.66 -12.41 C:1 15.76 -12.41 C:9 14.22 -8.84 C:6 15.45 -9.56 C:13 16.73 -11.74 C:7 15.45 -11.02 C:3 17.96 -11.02 17 1 -2 18 2 -2 3 13 1 4 15 1 5 15 1 19 6 -2 7 9 2 8 10 1 9 14 1 10 17 1 11 12 1 11 16 1 12 19 1 13 14 2 13 19 1 14 18 1 16 15 -1 16 18 1 17 18 1 17 19 1', '19 20 H 16.73 -10.71 H 14.76 -11.41 C 18.51 -13.59 C 14.22 -7.41 C 12.99 -9.56 C 19.23 -11.74 O 13.67 -13.59 O 17.96 -13.78 C 15.07 -13.59 C 16.73 -13.10 C 16.73 -8.84 C 17.96 -9.56 C 17.66 -12.41 C 15.76 -12.41 C 14.22 -8.84 C 15.45 -9.56 C 16.73 -11.74 C 15.45 -11.02 C 17.96 -11.02 17 1 -2 18 2 -2 3 13 1 4 15 1 5 15 1 19 6 -2 7 9 2 8 10 1 9 14 1 10 17 1 11 12 1 11 16 1 12 19 1 13 14 2 13 19 1 14 18 1 16 15 -1 16 18 1 17 18 1 17 19 1', '19 20 H 16.73 -10.71 H 14.76 -11.41 C:11 18.51 -13.59 C:21 14.22 -7.41 C:22 12.99 -9.56 C:18 19.23 -11.74 O 13.67 -13.59 O 17.96 -13.78 C:188 15.07 -13.59 C:63 16.73 -13.10 C:25 16.73 -8.84 C:34 17.96 -9.56 C:166 17.66 -12.41 C:137 15.76 -12.41 C:32 14.22 -8.84 C:45 15.45 -9.56 C:61 16.73 -11.74 C:41 15.45 -11.02 C:51 17.96 -11.02 17 1 -2 18 2 -2 3 13 1 4 15 1 5 15 1 19 6 -2 7 9 2 8 10 1 9 14 1 10 17 1 11 12 1 11 16 1 12 19 1 13 14 2 13 19 1 14 18 1 16 15 -1 16 18 1 17 18 1 17 19 1', 'C15H24O2', 236.175, 'C', 'np02_306_4', 3448, '', '', '1', 1, NULL, NULL),
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