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
(5371, '', '(4R,5S,8R,9R,10S,13S)-ent-17-Hydroxy-16-oxobeyeran-19-al', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C:16](=O)[C@@:13]([CH2:17]O)([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH:19]=O)[CH2:14]4', '[H][C@]23CC[C@@]14CC(=O)[C@@](CO)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C=O)C4', '[H][C@:57]23[CH2:20][CH2:41][C@@:40]14[CH2:49][C:223](=O)[C@@:54]([CH2:65]O)([CH2:32][CH2:20][C@@:55]1([H])[C@:38]2([CH3:14])[CH2:39][CH2:18][CH2:34][C@@:48]3([CH3:24])[CH:205]=O)[CH2:49]4', '25 28 H 14.24 -14.06 H 15.46 -11.94 C:18 13.96 -14.82 C:20 14.22 -10.26 O 10.64 -14.33 O 20.44 -10.21 O 19.11 -7.44 C:19 11.99 -14.73 C:17 17.90 -8.14 C:2 11.79 -11.66 C:3 11.79 -13.05 C:1 12.99 -10.95 C:6 15.46 -13.78 C:11 15.46 -9.54 C:12 16.68 -8.83 C:7 16.68 -13.05 C:15 18.26 -11.96 C:14 17.90 -10.95 C:16 19.06 -10.54 C:4 12.99 -13.78 C:5 14.22 -13.05 C:9 15.46 -10.95 C:10 14.22 -11.66 C:13 17.90 -9.54 C:8 16.68 -11.66 21 1 -1 22 2 -1 20 3 -1 23 4 -2 5 8 2 6 19 2 7 9 1 20 8 -2 24 9 -1 10 11 1 10 12 1 11 20 1 12 23 1 13 16 1 13 21 1 14 15 1 14 22 1 15 24 1 16 25 1 17 19 1 25 17 -2 18 24 1 18 25 1 19 24 1 20 21 1 21 23 1 22 23 1 22 25 1', '25 28 H 14.24 -14.06 H 15.46 -11.94 C 13.96 -14.82 C 14.22 -10.26 O 10.64 -14.33 O 20.44 -10.21 O 19.11 -7.44 C 11.99 -14.73 C 17.90 -8.14 C 11.79 -11.66 C 11.79 -13.05 C 12.99 -10.95 C 15.46 -13.78 C 15.46 -9.54 C 16.68 -8.83 C 16.68 -13.05 C 18.26 -11.96 C 17.90 -10.95 C 19.06 -10.54 C 12.99 -13.78 C 14.22 -13.05 C 15.46 -10.95 C 14.22 -11.66 C 17.90 -9.54 C 16.68 -11.66 21 1 -1 22 2 -1 20 3 -1 23 4 -2 5 8 2 6 19 2 7 9 1 20 8 -2 24 9 -1 10 11 1 10 12 1 11 20 1 12 23 1 13 16 1 13 21 1 14 15 1 14 22 1 15 24 1 16 25 1 17 19 1 25 17 -2 18 24 1 18 25 1 19 24 1 20 21 1 21 23 1 22 23 1 22 25 1', '25 28 H 14.24 -14.06 H 15.46 -11.94 C:24 13.96 -14.82 C:14 14.22 -10.26 O 10.64 -14.33 O 20.44 -10.21 O 19.11 -7.44 C:205 11.99 -14.73 C:65 17.90 -8.14 C:18 11.79 -11.66 C:34 11.79 -13.05 C:39 12.99 -10.95 C:20 15.46 -13.78 C:20 15.46 -9.54 C:32 16.68 -8.83 C:41 16.68 -13.05 C:49 18.26 -11.96 C:49 17.90 -10.95 C:223 19.06 -10.54 C:48 12.99 -13.78 C:57 14.22 -13.05 C:55 15.46 -10.95 C:38 14.22 -11.66 C:54 17.90 -9.54 C:40 16.68 -11.66 21 1 -1 22 2 -1 20 3 -1 23 4 -2 5 8 2 6 19 2 7 9 1 20 8 -2 24 9 -1 10 11 1 10 12 1 11 20 1 12 23 1 13 16 1 13 21 1 14 15 1 14 22 1 15 24 1 16 25 1 17 19 1 25 17 -2 18 24 1 18 25 1 19 24 1 20 21 1 21 23 1 22 23 1 22 25 1', 'C20H30O3', 318.228, 'C', 'np04_1620_4', 810, '', '', '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
(5385, '3.Acetylcalclolin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]14C[C@@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]3(C)C)C(=C)C4=O', '[H][C@:42]23[C@@H:70](O[C:170]([CH3:21])=O)[C@H:71](O[C:169]([CH3:22])=O)[C@@:48]14[CH2:36][C@@H:37]([CH2:39][C@H:70](O[C:169]([CH3:21])=O)[C@@:55]1([H])[C@:43]2([CH3:15])[C@@H:80](O[C:170]([CH3:21])=O)[CH2:29][C@H:78](O[C:170]([CH3:21])=O)[C@:37]3([CH3:24])[CH3:28])[C:150](=[CH2:113])[C:204]4=O', '43 46 H 15.51 -13.15 H 16.73 -11.02 C:17 21.70 -9.29 C:3002 9.39 -12.78 C:11002 14.31 -5.83 C:1002 11.79 -8.73 C:6002 15.57 -16.38 C:7002 20.43 -14.87 C:18 15.23 -13.90 C:19 13.24 -13.81 C:20 15.49 -9.34 O 10.60 -10.70 O 16.73 -5.83 O 12.99 -6.58 O 14.33 -14.28 O 18.00 -14.93 O 20.10 -12.32 C:12 17.95 -7.92 C:2 13.04 -10.74 C:14 19.16 -10.03 O 11.81 -12.82 O 15.52 -7.93 O 14.22 -8.63 O 16.75 -14.26 O 19.20 -12.81 C:3001 10.61 -12.10 C:11001 15.52 -6.53 C:1001 12.98 -7.98 C:6001 15.55 -14.97 C:7001 19.20 -14.20 C:16 20.32 -9.62 C:15 19.52 -11.04 C:13 19.16 -8.62 C:3 13.04 -12.14 C:11 16.73 -8.62 C:1 14.25 -10.03 C:6 16.73 -12.87 C:7 17.95 -12.14 C:4 14.25 -12.87 C:5 15.49 -12.14 C:9 16.73 -10.03 C:10 15.49 -10.74 C:8 17.95 -10.74 40 1 -1 41 2 -1 3 31 2 4 26 1 5 27 1 6 28 1 7 29 1 8 30 1 39 9 -1 39 10 -2 42 11 -2 12 26 2 13 27 2 14 28 2 15 29 2 16 30 2 17 32 2 18 33 1 18 35 1 19 34 1 19 36 1 20 33 1 20 43 1 21 26 1 34 21 -1 22 27 1 35 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 31 32 1 33 31 -1 43 32 -1 34 39 1 35 41 1 36 42 1 37 38 1 37 40 1 38 43 1 39 40 1 40 42 1 41 42 1 41 43 1', '43 46 H 15.51 -13.15 H 16.73 -11.02 C 21.70 -9.29 C 9.39 -12.78 C 14.31 -5.83 C 11.79 -8.73 C 15.57 -16.38 C 20.43 -14.87 C 15.23 -13.90 C 13.24 -13.81 C 15.49 -9.34 O 10.60 -10.70 O 16.73 -5.83 O 12.99 -6.58 O 14.33 -14.28 O 18.00 -14.93 O 20.10 -12.32 C 17.95 -7.92 C 13.04 -10.74 C 19.16 -10.03 O 11.81 -12.82 O 15.52 -7.93 O 14.22 -8.63 O 16.75 -14.26 O 19.20 -12.81 C 10.61 -12.10 C 15.52 -6.53 C 12.98 -7.98 C 15.55 -14.97 C 19.20 -14.20 C 20.32 -9.62 C 19.52 -11.04 C 19.16 -8.62 C 13.04 -12.14 C 16.73 -8.62 C 14.25 -10.03 C 16.73 -12.87 C 17.95 -12.14 C 14.25 -12.87 C 15.49 -12.14 C 16.73 -10.03 C 15.49 -10.74 C 17.95 -10.74 40 1 -1 41 2 -1 3 31 2 4 26 1 5 27 1 6 28 1 7 29 1 8 30 1 39 9 -1 39 10 -2 42 11 -2 12 26 2 13 27 2 14 28 2 15 29 2 16 30 2 17 32 2 18 33 1 18 35 1 19 34 1 19 36 1 20 33 1 20 43 1 21 26 1 34 21 -1 22 27 1 35 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 31 32 1 33 31 -1 43 32 -1 34 39 1 35 41 1 36 42 1 37 38 1 37 40 1 38 43 1 39 40 1 40 42 1 41 42 1 41 43 1', '43 46 H 15.51 -13.15 H 16.73 -11.02 C:113 21.70 -9.29 C:21 9.39 -12.78 C:21 14.31 -5.83 C:21 11.79 -8.73 C:21 15.57 -16.38 C:22 20.43 -14.87 C:28 15.23 -13.90 C:24 13.24 -13.81 C:15 15.49 -9.34 O 10.60 -10.70 O 16.73 -5.83 O 12.99 -6.58 O 14.33 -14.28 O 18.00 -14.93 O 20.10 -12.32 C:39 17.95 -7.92 C:29 13.04 -10.74 C:36 19.16 -10.03 O 11.81 -12.82 O 15.52 -7.93 O 14.22 -8.63 O 16.75 -14.26 O 19.20 -12.81 C:170 10.61 -12.10 C:169 15.52 -6.53 C:170 12.98 -7.98 C:170 15.55 -14.97 C:169 19.20 -14.20 C:150 20.32 -9.62 C:204 19.52 -11.04 C:37 19.16 -8.62 C:78 13.04 -12.14 C:70 16.73 -8.62 C:80 14.25 -10.03 C:70 16.73 -12.87 C:71 17.95 -12.14 C:37 14.25 -12.87 C:42 15.49 -12.14 C:55 16.73 -10.03 C:43 15.49 -10.74 C:48 17.95 -10.74 40 1 -1 41 2 -1 3 31 2 4 26 1 5 27 1 6 28 1 7 29 1 8 30 1 39 9 -1 39 10 -2 42 11 -2 12 26 2 13 27 2 14 28 2 15 29 2 16 30 2 17 32 2 18 33 1 18 35 1 19 34 1 19 36 1 20 33 1 20 43 1 21 26 1 34 21 -1 22 27 1 35 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -2 25 30 1 38 25 -1 31 32 1 33 31 -1 43 32 -1 34 39 1 35 41 1 36 42 1 37 38 1 37 40 1 38 43 1 39 40 1 40 42 1 41 42 1 41 43 1', 'C30H40O11', 576.33, 'P', 'ph40_1461_5', 2129, '', '', '1', 1, NULL, NULL),
(5386, 'ent-15-oxokaur-16-en-19-oate', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH3:19001])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)OC)C(=C)C4=O', '[H][C@:56]23[CH2:20][CH2:34][C@@:53]14[CH2:37][C@H:38]([CH2:32][CH2:18][C@@:52]1([H])[C@:40]2([CH3:15])[CH2:40][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:178](=O)O[CH3:51])[C:150](=[CH2:114])[C:211]4=O', '26 29 H 14.80 -12.76 H 16.02 -10.64 C:17 21.01 -8.91 C:19001 10.17 -13.97 C:18 14.52 -13.51 C:20 14.78 -8.96 O 12.86 -14.79 O 19.39 -11.94 C:2 12.33 -10.36 C:12 17.24 -7.54 C:3 12.33 -11.76 C:1 13.54 -9.65 C:11 16.02 -8.24 C:6 16.02 -12.48 C:7 17.24 -11.76 C:14 18.45 -9.65 O 11.19 -13.01 C:16 19.61 -9.24 C:19 12.53 -13.42 C:15 18.81 -10.66 C:13 18.45 -8.24 C:5 14.78 -11.76 C:9 16.02 -9.65 C:4 13.54 -12.48 C:10 14.78 -10.36 C:8 17.24 -10.36 22 1 -1 23 2 -1 3 18 2 4 17 1 24 5 -1 25 6 -2 7 19 2 8 20 2 9 11 1 9 12 1 10 13 1 10 21 1 11 24 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 21 16 -2 26 16 -2 17 19 1 18 20 1 18 21 1 24 19 -2 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.80 -12.76 H 16.02 -10.64 C 21.01 -8.91 C 10.17 -13.97 C 14.52 -13.51 C 14.78 -8.96 O 12.86 -14.79 O 19.39 -11.94 C 12.33 -10.36 C 17.24 -7.54 C 12.33 -11.76 C 13.54 -9.65 C 16.02 -8.24 C 16.02 -12.48 C 17.24 -11.76 C 18.45 -9.65 O 11.19 -13.01 C 19.61 -9.24 C 12.53 -13.42 C 18.81 -10.66 C 18.45 -8.24 C 14.78 -11.76 C 16.02 -9.65 C 13.54 -12.48 C 14.78 -10.36 C 17.24 -10.36 22 1 -1 23 2 -1 3 18 2 4 17 1 24 5 -1 25 6 -2 7 19 2 8 20 2 9 11 1 9 12 1 10 13 1 10 21 1 11 24 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 21 16 -2 26 16 -2 17 19 1 18 20 1 18 21 1 24 19 -2 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.80 -12.76 H 16.02 -10.64 C:114 21.01 -8.91 C:51 10.17 -13.97 C:29 14.52 -13.51 C:15 14.78 -8.96 O 12.86 -14.79 O 19.39 -11.94 C:19 12.33 -10.36 C:32 17.24 -7.54 C:38 12.33 -11.76 C:40 13.54 -9.65 C:18 16.02 -8.24 C:20 16.02 -12.48 C:34 17.24 -11.76 C:37 18.45 -9.65 O 11.19 -13.01 C:150 19.61 -9.24 C:178 12.53 -13.42 C:211 18.81 -10.66 C:38 18.45 -8.24 C:56 14.78 -11.76 C:52 16.02 -9.65 C:44 13.54 -12.48 C:40 14.78 -10.36 C:53 17.24 -10.36 22 1 -1 23 2 -1 3 18 2 4 17 1 24 5 -1 25 6 -2 7 19 2 8 20 2 9 11 1 9 12 1 10 13 1 10 21 1 11 24 1 12 25 1 13 23 1 14 15 1 14 22 1 15 26 1 21 16 -2 26 16 -2 17 19 1 18 20 1 18 21 1 24 19 -2 20 26 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C21H30O3', 330.239, 'C', 'ph40_1667_3', 226, '', '', '1', 1, NULL, NULL),
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(5400, '(16R)-2alpha-(3-Methyl-2-butenoyloxy)-3a,17-diacetoxy-16-hydroxyphyllocladane', '', 'Terpenoids', 'Diterpenoids', 'Phyllocladanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][C@@H:2](O[C:2001](=O)[CH:2002]=[C:2003]([CH3:2302])[CH3:2301])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:19])[CH3:18])[C@@:16](O)([CH2:17]O[C:17001]([CH3:17002])=O)[CH2:15]4', '[H][C@@]23CC[C@@]14C[C@H](CC[C@]1([H])[C@@]2(C)C[C@@H](OC(=O)C=C(C)C)[C@@H](OC(C)=O)[C@@]3(C)C)[C@@](O)(COC(C)=O)C4', '[H][C@@:50]23[CH2:19][CH2:41][C@@:44]14[CH2:48][C@H:44]([CH2:27][CH2:19][C@:56]1([H])[C@@:39]2([CH3:16])[CH2:38][C@@H:67](O[C:165](=O)[CH:15]=[C:57]([CH3:20])[CH3:27])[C@@H:77](O[C:170]([CH3:21])=O)[C@@:38]3([CH3:22])[CH3:28])[C@@:83](O)([CH2:68]O[C:171]([CH3:21])=O)[CH2:45]4', '38 41 H 15.53 -14.22 H 16.76 -12.19 C:2302 8.27 -13.29 C:2301 7.05 -11.20 C:17002 22.84 -6.32 C:3002 10.71 -16.00 C:19 13.31 -14.88 C:18 15.27 -14.97 C:20 15.52 -10.44 O 24.04 -8.43 O 13.12 -15.96 O 10.70 -13.26 O 21.38 -11.62 C:2002 9.48 -11.16 C:12 17.98 -9.01 C:11 16.76 -9.72 C:6 16.76 -13.95 C:7 17.98 -13.22 C:17 21.61 -9.80 C:1 14.30 -11.11 C:14 19.19 -11.11 C:15 19.55 -12.14 O 21.62 -8.41 O 11.91 -13.89 O 11.90 -11.14 C:2003 8.27 -11.89 C:17001 22.83 -7.72 C:3001 11.91 -15.27 C:2001 10.70 -11.86 C:13 19.19 -9.72 C:2 13.11 -11.83 C:3 13.11 -13.22 C:4 14.30 -13.95 C:5 15.52 -13.22 C:9 16.76 -11.11 C:16 20.34 -10.72 C:10 15.52 -11.83 C:8 17.98 -11.83 34 1 -2 35 2 -2 3 26 1 4 26 1 5 27 1 6 28 1 33 7 -1 33 8 -2 37 9 -1 10 27 2 11 28 2 12 29 2 36 13 -2 14 26 2 14 29 1 15 16 1 15 30 1 16 35 1 17 18 1 17 34 1 18 38 1 19 23 1 36 19 -1 20 31 1 20 37 1 30 21 -2 38 21 -2 22 36 1 22 38 1 23 27 1 24 28 1 32 24 -2 25 29 1 31 25 -2 30 36 1 31 32 1 32 33 1 33 34 1 34 37 1 35 37 1 35 38 1', '38 41 H 15.53 -14.22 H 16.76 -12.19 C 8.27 -13.29 C 7.05 -11.20 C 22.84 -6.32 C 10.71 -16.00 C 13.31 -14.88 C 15.27 -14.97 C 15.52 -10.44 O 24.04 -8.43 O 13.12 -15.96 O 10.70 -13.26 O 21.38 -11.62 C 9.48 -11.16 C 17.98 -9.01 C 16.76 -9.72 C 16.76 -13.95 C 17.98 -13.22 C 21.61 -9.80 C 14.30 -11.11 C 19.19 -11.11 C 19.55 -12.14 O 21.62 -8.41 O 11.91 -13.89 O 11.90 -11.14 C 8.27 -11.89 C 22.83 -7.72 C 11.91 -15.27 C 10.70 -11.86 C 19.19 -9.72 C 13.11 -11.83 C 13.11 -13.22 C 14.30 -13.95 C 15.52 -13.22 C 16.76 -11.11 C 20.34 -10.72 C 15.52 -11.83 C 17.98 -11.83 34 1 -2 35 2 -2 3 26 1 4 26 1 5 27 1 6 28 1 33 7 -1 33 8 -2 37 9 -1 10 27 2 11 28 2 12 29 2 36 13 -2 14 26 2 14 29 1 15 16 1 15 30 1 16 35 1 17 18 1 17 34 1 18 38 1 19 23 1 36 19 -1 20 31 1 20 37 1 30 21 -2 38 21 -2 22 36 1 22 38 1 23 27 1 24 28 1 32 24 -2 25 29 1 31 25 -2 30 36 1 31 32 1 32 33 1 33 34 1 34 37 1 35 37 1 35 38 1', '38 41 H 15.53 -14.22 H 16.76 -12.19 C:20 8.27 -13.29 C:27 7.05 -11.20 C:21 22.84 -6.32 C:21 10.71 -16.00 C:22 13.31 -14.88 C:28 15.27 -14.97 C:16 15.52 -10.44 O 24.04 -8.43 O 13.12 -15.96 O 10.70 -13.26 O 21.38 -11.62 C:15 9.48 -11.16 C:27 17.98 -9.01 C:19 16.76 -9.72 C:19 16.76 -13.95 C:41 17.98 -13.22 C:68 21.61 -9.80 C:38 14.30 -11.11 C:48 19.19 -11.11 C:45 19.55 -12.14 O 21.62 -8.41 O 11.91 -13.89 O 11.90 -11.14 C:57 8.27 -11.89 C:171 22.83 -7.72 C:170 11.91 -15.27 C:165 10.70 -11.86 C:44 19.19 -9.72 C:67 13.11 -11.83 C:77 13.11 -13.22 C:38 14.30 -13.95 C:50 15.52 -13.22 C:56 16.76 -11.11 C:83 20.34 -10.72 C:39 15.52 -11.83 C:44 17.98 -11.83 34 1 -2 35 2 -2 3 26 1 4 26 1 5 27 1 6 28 1 33 7 -1 33 8 -2 37 9 -1 10 27 2 11 28 2 12 29 2 36 13 -2 14 26 2 14 29 1 15 16 1 15 30 1 16 35 1 17 18 1 17 34 1 18 38 1 19 23 1 36 19 -1 20 31 1 20 37 1 30 21 -2 38 21 -2 22 36 1 22 38 1 23 27 1 24 28 1 32 24 -2 25 29 1 31 25 -2 30 36 1 31 32 1 32 33 1 33 34 1 34 37 1 35 37 1 35 38 1', 'C29H44O7', 504.322, 'C', 'ph41_1563_2b', 1335, '', '', '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
(5401, '(16R)-2alpha-(3-Methylbutanoyloxy)-3alpha-acetoxyphyllocladane-16,17-diol', '', 'Terpenoids', 'Diterpenoids', 'Phyllocladanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][C@@H:2](O[C:2001](=O)[CH2:2002][CH:2003]([CH3:2302])[CH3:2301])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:19])[CH3:18])[C@@:16](O)([CH2:17]O)[CH2:15]4', '[H][C@@]23CC[C@@]14C[C@H](CC[C@]1([H])[C@@]2(C)C[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@@]3(C)C)[C@@](O)(CO)C4', '[H][C@@:50]23[CH2:19][CH2:41][C@@:44]14[CH2:48][C@H:44]([CH2:27][CH2:19][C@:56]1([H])[C@@:39]2([CH3:16])[CH2:38][C@@H:68](O[C:172](=O)[CH2:43][CH:25]([CH3:22])[CH3:22])[C@@H:77](O[C:171]([CH3:21])=O)[C@@:38]3([CH3:22])[CH3:28])[C@@:85](O)([CH2:66]O)[CH2:45]4', '35 38 H 16.76 -13.14 H 17.98 -11.10 C:3002 11.92 -14.92 C:2302 9.48 -12.21 C:2301 8.26 -10.13 C:19 14.52 -13.82 C:18 16.50 -13.91 C:20 16.75 -9.36 O 14.33 -14.88 O 11.91 -12.18 O 22.83 -7.33 O 22.59 -10.55 C:17 22.82 -8.72 C:12 19.20 -7.92 C:11 17.98 -8.63 C:6 17.98 -12.86 C:7 19.20 -12.14 C:2002 10.70 -10.09 C:1 15.54 -10.04 C:14 20.39 -10.04 C:15 20.76 -11.05 O 13.11 -10.07 O 13.12 -12.81 C:3001 13.12 -14.20 C:2001 11.91 -10.78 C:2003 9.48 -10.81 C:2 14.32 -10.75 C:13 20.39 -8.63 C:3 14.32 -12.14 C:4 15.54 -12.86 C:5 16.75 -12.14 C:9 17.98 -10.04 C:16 21.54 -9.63 C:10 16.75 -10.75 C:8 19.20 -10.75 31 1 -2 32 2 -2 3 24 1 4 26 1 5 26 1 30 6 -1 30 7 -2 34 8 -1 9 24 2 10 25 2 11 13 1 33 12 -2 33 13 -1 14 15 1 14 28 1 15 32 1 16 17 1 16 31 1 17 35 1 18 25 1 18 26 1 19 27 1 19 34 1 28 20 -2 35 20 -2 21 33 1 21 35 1 22 25 1 27 22 -2 23 24 1 29 23 -2 27 29 1 28 33 1 29 30 1 30 31 1 31 34 1 32 34 1 32 35 1', '35 38 H 16.76 -13.14 H 17.98 -11.10 C 11.92 -14.92 C 9.48 -12.21 C 8.26 -10.13 C 14.52 -13.82 C 16.50 -13.91 C 16.75 -9.36 O 14.33 -14.88 O 11.91 -12.18 O 22.83 -7.33 O 22.59 -10.55 C 22.82 -8.72 C 19.20 -7.92 C 17.98 -8.63 C 17.98 -12.86 C 19.20 -12.14 C 10.70 -10.09 C 15.54 -10.04 C 20.39 -10.04 C 20.76 -11.05 O 13.11 -10.07 O 13.12 -12.81 C 13.12 -14.20 C 11.91 -10.78 C 9.48 -10.81 C 14.32 -10.75 C 20.39 -8.63 C 14.32 -12.14 C 15.54 -12.86 C 16.75 -12.14 C 17.98 -10.04 C 21.54 -9.63 C 16.75 -10.75 C 19.20 -10.75 31 1 -2 32 2 -2 3 24 1 4 26 1 5 26 1 30 6 -1 30 7 -2 34 8 -1 9 24 2 10 25 2 11 13 1 33 12 -2 33 13 -1 14 15 1 14 28 1 15 32 1 16 17 1 16 31 1 17 35 1 18 25 1 18 26 1 19 27 1 19 34 1 28 20 -2 35 20 -2 21 33 1 21 35 1 22 25 1 27 22 -2 23 24 1 29 23 -2 27 29 1 28 33 1 29 30 1 30 31 1 31 34 1 32 34 1 32 35 1', '35 38 H 16.76 -13.14 H 17.98 -11.10 C:21 11.92 -14.92 C:22 9.48 -12.21 C:22 8.26 -10.13 C:22 14.52 -13.82 C:28 16.50 -13.91 C:16 16.75 -9.36 O 14.33 -14.88 O 11.91 -12.18 O 22.83 -7.33 O 22.59 -10.55 C:66 22.82 -8.72 C:27 19.20 -7.92 C:19 17.98 -8.63 C:19 17.98 -12.86 C:41 19.20 -12.14 C:43 10.70 -10.09 C:38 15.54 -10.04 C:48 20.39 -10.04 C:45 20.76 -11.05 O 13.11 -10.07 O 13.12 -12.81 C:171 13.12 -14.20 C:172 11.91 -10.78 C:25 9.48 -10.81 C:68 14.32 -10.75 C:44 20.39 -8.63 C:77 14.32 -12.14 C:38 15.54 -12.86 C:50 16.75 -12.14 C:56 17.98 -10.04 C:85 21.54 -9.63 C:39 16.75 -10.75 C:44 19.20 -10.75 31 1 -2 32 2 -2 3 24 1 4 26 1 5 26 1 30 6 -1 30 7 -2 34 8 -1 9 24 2 10 25 2 11 13 1 33 12 -2 33 13 -1 14 15 1 14 28 1 15 32 1 16 17 1 16 31 1 17 35 1 18 25 1 18 26 1 19 27 1 19 34 1 28 20 -2 35 20 -2 21 33 1 21 35 1 22 25 1 27 22 -2 23 24 1 29 23 -2 27 29 1 28 33 1 29 30 1 30 31 1 31 34 1 32 34 1 32 35 1', 'C27H44O6', 464.301, 'C', 'ph41_1563_3a', 1335, '', '', '1', 1, NULL, NULL),
(5402, '(16R)-3ct-Acetoxyphyllocladane-16,17-diol', '', 'Terpenoids', 'Diterpenoids', 'Phyllocladanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:19])[CH3:18])[C@@:16](O)([CH2:17]O)[CH2:15]4', '[H][C@@]23CC[C@@]14C[C@H](CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)[C@@]3(C)C)[C@@](O)(CO)C4', '[H][C@@:50]23[CH2:19][CH2:41][C@@:44]14[CH2:48][C@H:44]([CH2:26][CH2:20][C@:56]1([H])[C@@:37]2([CH3:15])[CH2:33][CH2:22][C@@H:78](O[C:171]([CH3:22])=O)[C@@:36]3([CH3:21])[CH3:28])[C@@:85](O)([CH2:66]O)[CH2:45]4', '28 31 H 15.53 -13.64 H 16.75 -11.61 C:3002 9.49 -13.26 C:19 13.30 -14.32 C:18 15.28 -14.41 C:20 15.52 -9.86 O 10.71 -11.19 O 21.62 -7.84 O 21.37 -11.04 C:17 21.61 -9.22 C:12 17.98 -8.42 C:2 13.10 -11.25 C:11 16.75 -9.13 C:1 14.31 -10.54 C:6 16.75 -13.37 C:7 17.98 -12.65 C:14 19.17 -10.54 C:15 19.53 -11.56 O 11.90 -13.31 C:3001 10.71 -12.60 C:13 19.17 -9.13 C:3 13.10 -12.65 C:4 14.31 -13.37 C:5 15.52 -12.65 C:9 16.75 -10.54 C:16 20.33 -10.14 C:10 15.52 -11.25 C:8 17.98 -11.25 24 1 -2 25 2 -2 3 20 1 23 4 -1 23 5 -2 27 6 -1 7 20 2 8 10 1 26 9 -2 26 10 -1 11 13 1 11 21 1 12 14 1 12 22 1 13 25 1 14 27 1 15 16 1 15 24 1 16 28 1 21 17 -2 28 17 -2 18 26 1 18 28 1 19 20 1 22 19 -2 21 26 1 22 23 1 23 24 1 24 27 1 25 27 1 25 28 1', '28 31 H 15.53 -13.64 H 16.75 -11.61 C 9.49 -13.26 C 13.30 -14.32 C 15.28 -14.41 C 15.52 -9.86 O 10.71 -11.19 O 21.62 -7.84 O 21.37 -11.04 C 21.61 -9.22 C 17.98 -8.42 C 13.10 -11.25 C 16.75 -9.13 C 14.31 -10.54 C 16.75 -13.37 C 17.98 -12.65 C 19.17 -10.54 C 19.53 -11.56 O 11.90 -13.31 C 10.71 -12.60 C 19.17 -9.13 C 13.10 -12.65 C 14.31 -13.37 C 15.52 -12.65 C 16.75 -10.54 C 20.33 -10.14 C 15.52 -11.25 C 17.98 -11.25 24 1 -2 25 2 -2 3 20 1 23 4 -1 23 5 -2 27 6 -1 7 20 2 8 10 1 26 9 -2 26 10 -1 11 13 1 11 21 1 12 14 1 12 22 1 13 25 1 14 27 1 15 16 1 15 24 1 16 28 1 21 17 -2 28 17 -2 18 26 1 18 28 1 19 20 1 22 19 -2 21 26 1 22 23 1 23 24 1 24 27 1 25 27 1 25 28 1', '28 31 H 15.53 -13.64 H 16.75 -11.61 C:22 9.49 -13.26 C:21 13.30 -14.32 C:28 15.28 -14.41 C:15 15.52 -9.86 O 10.71 -11.19 O 21.62 -7.84 O 21.37 -11.04 C:66 21.61 -9.22 C:26 17.98 -8.42 C:22 13.10 -11.25 C:20 16.75 -9.13 C:33 14.31 -10.54 C:19 16.75 -13.37 C:41 17.98 -12.65 C:48 19.17 -10.54 C:45 19.53 -11.56 O 11.90 -13.31 C:171 10.71 -12.60 C:44 19.17 -9.13 C:78 13.10 -12.65 C:36 14.31 -13.37 C:50 15.52 -12.65 C:56 16.75 -10.54 C:85 20.33 -10.14 C:37 15.52 -11.25 C:44 17.98 -11.25 24 1 -2 25 2 -2 3 20 1 23 4 -1 23 5 -2 27 6 -1 7 20 2 8 10 1 26 9 -2 26 10 -1 11 13 1 11 21 1 12 14 1 12 22 1 13 25 1 14 27 1 15 16 1 15 24 1 16 28 1 21 17 -2 28 17 -2 18 26 1 18 28 1 19 20 1 22 19 -2 21 26 1 22 23 1 23 24 1 24 27 1 25 27 1 25 28 1', 'C22H36O4', 364.249, 'C', 'ph41_1563_4', 1335, '', '', '1', 1, NULL, NULL),
(5403, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][C@@H:2](O[C:2001](=O)[CH:2002]=[C:2003]([CH3:2302])[CH3:2301])[C:3](=O)[C@@:4]3([CH3:19])[CH3:18])[C@@:16](O)([CH2:17]O)[CH2:15]4', '[H][C@@]23CC[C@@]14C[C@H](CC[C@]1([H])[C@@]2(C)C[C@@H](OC(=O)C=C(C)C)C(=O)[C@@]3(C)C)[C@@](O)(CO)C4', '[H][C@@:56]23[CH2:19][CH2:40][C@@:43]14[CH2:48][C@H:43]([CH2:26][CH2:21][C@:57]1([H])[C@@:38]2([CH3:15])[CH2:44][C@@H:70](O[C:165](=O)[CH:115]=[C:158]([CH3:27])[CH3:20])[C:209](=O)[C@@:48]3([CH3:21])[CH3:25])[C@@:84](O)([CH2:65]O)[CH2:44]4', '32 35 H 16.45 -13.37 H 17.68 -11.31 C:2302 9.11 -12.43 C:2301 7.88 -10.32 C:19 14.19 -14.05 C:18 16.19 -14.14 C:20 16.44 -9.55 O 11.57 -12.40 O 12.78 -13.03 O 22.58 -7.51 O 22.34 -10.75 C:2002 10.34 -10.28 C:17 22.57 -8.91 C:12 18.91 -8.10 C:11 17.68 -8.82 C:6 17.68 -13.09 C:7 18.91 -12.36 C:1 15.22 -10.23 C:14 20.12 -10.23 C:15 20.48 -11.26 O 12.77 -10.26 C:2003 9.11 -11.02 C:2001 11.57 -10.99 C:3 13.99 -12.36 C:2 13.99 -10.96 C:13 20.12 -8.82 C:4 15.22 -13.09 C:5 16.44 -12.36 C:9 17.68 -10.23 C:16 21.28 -9.83 C:10 16.44 -10.96 C:8 18.91 -10.96 28 1 -2 29 2 -2 3 22 1 4 22 1 27 5 -1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 13 1 30 11 -2 12 22 2 12 23 1 30 13 -1 14 15 1 14 26 1 15 29 1 16 17 1 16 28 1 17 32 1 18 25 1 18 31 1 26 19 -2 32 19 -2 20 30 1 20 32 1 21 23 1 25 21 -2 24 25 1 24 27 1 26 30 1 27 28 1 28 31 1 29 31 1 29 32 1', '32 35 H 16.45 -13.37 H 17.68 -11.31 C 9.11 -12.43 C 7.88 -10.32 C 14.19 -14.05 C 16.19 -14.14 C 16.44 -9.55 O 11.57 -12.40 O 12.78 -13.03 O 22.58 -7.51 O 22.34 -10.75 C 10.34 -10.28 C 22.57 -8.91 C 18.91 -8.10 C 17.68 -8.82 C 17.68 -13.09 C 18.91 -12.36 C 15.22 -10.23 C 20.12 -10.23 C 20.48 -11.26 O 12.77 -10.26 C 9.11 -11.02 C 11.57 -10.99 C 13.99 -12.36 C 13.99 -10.96 C 20.12 -8.82 C 15.22 -13.09 C 16.44 -12.36 C 17.68 -10.23 C 21.28 -9.83 C 16.44 -10.96 C 18.91 -10.96 28 1 -2 29 2 -2 3 22 1 4 22 1 27 5 -1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 13 1 30 11 -2 12 22 2 12 23 1 30 13 -1 14 15 1 14 26 1 15 29 1 16 17 1 16 28 1 17 32 1 18 25 1 18 31 1 26 19 -2 32 19 -2 20 30 1 20 32 1 21 23 1 25 21 -2 24 25 1 24 27 1 26 30 1 27 28 1 28 31 1 29 31 1 29 32 1', '32 35 H 16.45 -13.37 H 17.68 -11.31 C:27 9.11 -12.43 C:20 7.88 -10.32 C:21 14.19 -14.05 C:25 16.19 -14.14 C:15 16.44 -9.55 O 11.57 -12.40 O 12.78 -13.03 O 22.58 -7.51 O 22.34 -10.75 C:115 10.34 -10.28 C:65 22.57 -8.91 C:26 18.91 -8.10 C:21 17.68 -8.82 C:19 17.68 -13.09 C:40 18.91 -12.36 C:44 15.22 -10.23 C:48 20.12 -10.23 C:44 20.48 -11.26 O 12.77 -10.26 C:158 9.11 -11.02 C:165 11.57 -10.99 C:209 13.99 -12.36 C:70 13.99 -10.96 C:43 20.12 -8.82 C:48 15.22 -13.09 C:56 16.44 -12.36 C:57 17.68 -10.23 C:84 21.28 -9.83 C:38 16.44 -10.96 C:43 18.91 -10.96 28 1 -2 29 2 -2 3 22 1 4 22 1 27 5 -1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 13 1 30 11 -2 12 22 2 12 23 1 30 13 -1 14 15 1 14 26 1 15 29 1 16 17 1 16 28 1 17 32 1 18 25 1 18 31 1 26 19 -2 32 19 -2 20 30 1 20 32 1 21 23 1 25 21 -2 24 25 1 24 27 1 26 30 1 27 28 1 28 31 1 29 31 1 29 32 1', 'C25H38O5', 418.28, 'C', 'ph41_1563_5', 1335, '', '', '1', 1, NULL, NULL),
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(5417, '', 'ent- 16(R)-7beta,20-dihydroxykauran-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH2:20]O)[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@H:16]([CH3:17])[C:15]4=O', '[H][C@]23C[C@@H](O)[C@@]14C[C@H](CC[C@@]1([H])[C@]2(CO)CCC[C@@]3(C)C)[C@H](C)C4=O', '[H][C@:53]23[CH2:30][C@@H:71](O)[C@@:59]14[CH2:27][C@H:37]([CH2:28][CH2:18][C@@:52]1([H])[C@:43]2([CH2:61]O)[CH2:34][CH2:19][CH2:42][C@@:33]3([CH3:34])[CH3:22])[C@H:47]([CH3:15])[C:226]4=O', '25 28 H 13.70 -13.37 H 14.91 -11.25 C:17 19.88 -9.51 C:19 11.44 -14.04 C:18 13.42 -14.13 O 18.27 -12.55 O 12.46 -8.87 O 17.36 -13.04 C:2 11.24 -10.97 C:20 13.68 -9.56 C:12 16.13 -8.13 C:3 11.24 -12.36 C:1 12.45 -10.25 C:11 14.91 -8.84 C:6 14.91 -13.09 C:14 17.34 -10.25 C:15 17.70 -11.27 C:16 18.50 -9.84 C:7 16.13 -12.36 C:13 17.34 -8.84 C:4 12.45 -13.09 C:5 13.68 -12.36 C:9 14.91 -10.25 C:10 13.68 -10.97 C:8 16.13 -10.97 22 1 -1 23 2 -1 18 3 -2 21 4 -2 21 5 -1 6 17 2 7 10 1 19 8 -2 9 12 1 9 13 1 24 10 -2 11 14 1 11 20 1 12 21 1 13 24 1 14 23 1 15 19 1 15 22 1 20 16 -2 25 16 -2 17 18 1 17 25 1 18 20 1 19 25 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 13.70 -13.37 H 14.91 -11.25 C 19.88 -9.51 C 11.44 -14.04 C 13.42 -14.13 O 18.27 -12.55 O 12.46 -8.87 O 17.36 -13.04 C 11.24 -10.97 C 13.68 -9.56 C 16.13 -8.13 C 11.24 -12.36 C 12.45 -10.25 C 14.91 -8.84 C 14.91 -13.09 C 17.34 -10.25 C 17.70 -11.27 C 18.50 -9.84 C 16.13 -12.36 C 17.34 -8.84 C 12.45 -13.09 C 13.68 -12.36 C 14.91 -10.25 C 13.68 -10.97 C 16.13 -10.97 22 1 -1 23 2 -1 18 3 -2 21 4 -2 21 5 -1 6 17 2 7 10 1 19 8 -2 9 12 1 9 13 1 24 10 -2 11 14 1 11 20 1 12 21 1 13 24 1 14 23 1 15 19 1 15 22 1 20 16 -2 25 16 -2 17 18 1 17 25 1 18 20 1 19 25 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 13.70 -13.37 H 14.91 -11.25 C:15 19.88 -9.51 C:22 11.44 -14.04 C:34 13.42 -14.13 O 18.27 -12.55 O 12.46 -8.87 O 17.36 -13.04 C:19 11.24 -10.97 C:61 13.68 -9.56 C:28 16.13 -8.13 C:42 11.24 -12.36 C:34 12.45 -10.25 C:18 14.91 -8.84 C:30 14.91 -13.09 C:27 17.34 -10.25 C:226 17.70 -11.27 C:47 18.50 -9.84 C:71 16.13 -12.36 C:37 17.34 -8.84 C:33 12.45 -13.09 C:53 13.68 -12.36 C:52 14.91 -10.25 C:43 13.68 -10.97 C:59 16.13 -10.97 22 1 -1 23 2 -1 18 3 -2 21 4 -2 21 5 -1 6 17 2 7 10 1 19 8 -2 9 12 1 9 13 1 24 10 -2 11 14 1 11 20 1 12 21 1 13 24 1 14 23 1 15 19 1 15 22 1 20 16 -2 25 16 -2 17 18 1 17 25 1 18 20 1 19 25 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H32O3', 320.228, 'C', 'ph42_1641_8', 258, '', '', '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
(5418, '', 'ent-7beta,20-dihydroxy-16-kauren-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH2:20]O)[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23C[C@@H](O)[C@@]14C[C@H](CC[C@@]1([H])[C@]2(CO)CCC[C@@]3(C)C)C(=C)C4=O', '[H][C@:53]23[CH2:30][C@@H:71](O)[C@@:59]14[CH2:27][C@H:37]([CH2:28][CH2:18][C@@:52]1([H])[C@:43]2([CH2:61]O)[CH2:34][CH2:19][CH2:42][C@@:33]3([CH3:34])[CH3:22])[C:47](=[CH2:15])[C:226]4=O', '25 28 H 13.70 -13.37 H 14.91 -11.25 C:17 19.88 -9.51 C:19 11.44 -14.04 C:18 13.42 -14.13 O 18.27 -12.55 O 12.46 -8.87 O 17.36 -13.04 C:2 11.24 -10.97 C:12 16.13 -8.13 C:20 13.68 -9.56 C:3 11.24 -12.36 C:1 12.45 -10.25 C:11 14.91 -8.84 C:6 14.91 -13.09 C:14 17.34 -10.25 C:16 18.50 -9.84 C:15 17.70 -11.27 C:13 17.34 -8.84 C:7 16.13 -12.36 C:4 12.45 -13.09 C:5 13.68 -12.36 C:9 14.91 -10.25 C:10 13.68 -10.97 C:8 16.13 -10.97 22 1 -1 23 2 -1 3 17 2 21 4 -2 21 5 -1 6 18 2 7 11 1 20 8 -2 9 12 1 9 13 1 10 14 1 10 19 1 24 11 -2 12 21 1 13 24 1 14 23 1 15 20 1 15 22 1 19 16 -2 25 16 -2 17 18 1 17 19 1 18 25 1 20 25 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 13.70 -13.37 H 14.91 -11.25 C 19.88 -9.51 C 11.44 -14.04 C 13.42 -14.13 O 18.27 -12.55 O 12.46 -8.87 O 17.36 -13.04 C 11.24 -10.97 C 16.13 -8.13 C 13.68 -9.56 C 11.24 -12.36 C 12.45 -10.25 C 14.91 -8.84 C 14.91 -13.09 C 17.34 -10.25 C 18.50 -9.84 C 17.70 -11.27 C 17.34 -8.84 C 16.13 -12.36 C 12.45 -13.09 C 13.68 -12.36 C 14.91 -10.25 C 13.68 -10.97 C 16.13 -10.97 22 1 -1 23 2 -1 3 17 2 21 4 -2 21 5 -1 6 18 2 7 11 1 20 8 -2 9 12 1 9 13 1 10 14 1 10 19 1 24 11 -2 12 21 1 13 24 1 14 23 1 15 20 1 15 22 1 19 16 -2 25 16 -2 17 18 1 17 19 1 18 25 1 20 25 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 13.70 -13.37 H 14.91 -11.25 C:15 19.88 -9.51 C:22 11.44 -14.04 C:34 13.42 -14.13 O 18.27 -12.55 O 12.46 -8.87 O 17.36 -13.04 C:19 11.24 -10.97 C:28 16.13 -8.13 C:61 13.68 -9.56 C:42 11.24 -12.36 C:34 12.45 -10.25 C:18 14.91 -8.84 C:30 14.91 -13.09 C:27 17.34 -10.25 C:47 18.50 -9.84 C:226 17.70 -11.27 C:37 17.34 -8.84 C:71 16.13 -12.36 C:33 12.45 -13.09 C:53 13.68 -12.36 C:52 14.91 -10.25 C:43 13.68 -10.97 C:59 16.13 -10.97 22 1 -1 23 2 -1 3 17 2 21 4 -2 21 5 -1 6 18 2 7 11 1 20 8 -2 9 12 1 9 13 1 10 14 1 10 19 1 24 11 -2 12 21 1 13 24 1 14 23 1 15 20 1 15 22 1 19 16 -2 25 16 -2 17 18 1 17 19 1 18 25 1 20 25 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H30O3', 318.228, 'C', 'ph42_1641_9', 258, '', '', '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
(5437, 'foliol acetonide', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]14[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]2=[CH2:17])[C@@H:7](O)[CH2:6][C@:5]5([H])[C@@:4]3([CH3:19])[CH2:18]O[C:3001]([CH3:3102])([CH3:3101])O[C@@H:3]3[CH2:2][CH2:1][C@@:10]45[CH3:20]', '[H][C@@]14CC[C@H]2C[C@]1(CC2=C)[C@@H](O)C[C@]5([H])[C@@]3(C)COC(C)(C)O[C@@H]3CC[C@@]45C', '[H][C@@:51]14[CH2:18][CH2:34][C@H:44]2[CH2:39][C@:49]1([CH2:46][C:155]2=[CH2:105])[C@@H:78](O)[CH2:27][C@:42]5([H])[C@@:43]3([CH3:13])[CH2:73]O[C:100]([CH3:20])([CH3:31])O[C@@H:78]3[CH2:24][CH2:40][C@@:37]45[CH3:19]', '28 32 H 16.12 -10.38 H 14.92 -12.52 C:17 21.06 -8.66 C:3102 11.19 -14.99 C:3101 10.02 -12.87 C:19 14.64 -13.28 C:20 14.90 -8.71 O 18.60 -12.19 C:12 17.34 -7.28 C:2 12.46 -10.10 C:11 16.12 -7.99 C:1 13.67 -9.40 C:18 13.64 -13.64 C:15 18.91 -10.40 C:6 16.12 -12.24 C:14 18.55 -9.40 O 12.41 -14.32 O 11.21 -12.19 C:16 19.69 -8.99 C:7 17.34 -11.51 C:13 18.55 -7.99 C:3 12.46 -11.51 C:3001 11.21 -13.59 C:9 16.12 -9.40 C:5 14.90 -11.51 C:4 13.67 -12.24 C:10 14.90 -10.10 C:8 17.34 -10.10 24 1 -1 25 2 -1 3 19 2 4 23 1 5 23 1 26 6 -2 27 7 -2 20 8 -1 9 11 1 9 21 1 10 12 1 10 22 1 11 24 1 12 27 1 13 17 1 26 13 -1 14 19 1 14 28 1 15 20 1 15 25 1 21 16 -2 28 16 -2 17 23 1 22 18 -2 18 23 1 19 21 1 20 28 1 22 26 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 32 H 16.12 -10.38 H 14.92 -12.52 C 21.06 -8.66 C 11.19 -14.99 C 10.02 -12.87 C 14.64 -13.28 C 14.90 -8.71 O 18.60 -12.19 C 17.34 -7.28 C 12.46 -10.10 C 16.12 -7.99 C 13.67 -9.40 C 13.64 -13.64 C 18.91 -10.40 C 16.12 -12.24 C 18.55 -9.40 O 12.41 -14.32 O 11.21 -12.19 C 19.69 -8.99 C 17.34 -11.51 C 18.55 -7.99 C 12.46 -11.51 C 11.21 -13.59 C 16.12 -9.40 C 14.90 -11.51 C 13.67 -12.24 C 14.90 -10.10 C 17.34 -10.10 24 1 -1 25 2 -1 3 19 2 4 23 1 5 23 1 26 6 -2 27 7 -2 20 8 -1 9 11 1 9 21 1 10 12 1 10 22 1 11 24 1 12 27 1 13 17 1 26 13 -1 14 19 1 14 28 1 15 20 1 15 25 1 21 16 -2 28 16 -2 17 23 1 22 18 -2 18 23 1 19 21 1 20 28 1 22 26 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 32 H 16.12 -10.38 H 14.92 -12.52 C:105 21.06 -8.66 C:20 11.19 -14.99 C:31 10.02 -12.87 C:13 14.64 -13.28 C:19 14.90 -8.71 O 18.60 -12.19 C:34 17.34 -7.28 C:24 12.46 -10.10 C:18 16.12 -7.99 C:40 13.67 -9.40 C:73 13.64 -13.64 C:46 18.91 -10.40 C:27 16.12 -12.24 C:39 18.55 -9.40 O 12.41 -14.32 O 11.21 -12.19 C:155 19.69 -8.99 C:78 17.34 -11.51 C:44 18.55 -7.99 C:78 12.46 -11.51 C:100 11.21 -13.59 C:51 16.12 -9.40 C:42 14.90 -11.51 C:43 13.67 -12.24 C:37 14.90 -10.10 C:49 17.34 -10.10 24 1 -1 25 2 -1 3 19 2 4 23 1 5 23 1 26 6 -2 27 7 -2 20 8 -1 9 11 1 9 21 1 10 12 1 10 22 1 11 24 1 12 27 1 13 17 1 26 13 -1 14 19 1 14 28 1 15 20 1 15 25 1 21 16 -2 28 16 -2 17 23 1 22 18 -2 18 23 1 19 21 1 20 28 1 22 26 1 24 27 1 24 28 1 25 26 1 25 27 1', 'C23H36O3', 360.26, 'C', 'ph43_1293_7', 184, '', '', '1', 1, NULL, NULL),
(5438, '', '(7R)-ent-15-Oxokaur-16-en-7-ol-19-oic acid Beta-glucopyranosyl ester   ', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@@:8]15[CH2:14][C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C:16](=[CH2:17])[C:15]5=O', '[H][C@]23C[C@@H](O)[C@@]15C[C@@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C)C5=O', '[H][C@:54]23[CH2:31][C@@H:71](O)[C@@:59]15[CH2:29][C@@H:38]([CH2:33][CH2:19][C@@:52]1([H])[C@:40]2([CH3:16])[CH2:40][CH2:19][CH2:38][C@@:44]3([CH3:28])[C:177](=O)O[C@@H:96]4O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]4O)[C:50](=[CH2:113])[C:210]5=O', '37 41 H 16.80 -11.31 H 18.02 -9.18 C:17 22.99 -7.45 C:18 16.52 -12.07 C:20 16.78 -7.50 O 14.87 -13.34 O 21.39 -10.48 O 8.16 -11.33 O 20.47 -10.98 O 9.12 -15.42 O 11.80 -16.22 O 13.84 -14.30 C:2 14.34 -8.90 C:106 8.48 -12.69 C:12 19.24 -6.07 C:3 14.34 -10.30 C:1 15.55 -8.19 C:11 18.02 -6.78 C:6 18.02 -11.03 C:14 20.45 -8.19 O 13.20 -11.58 O 10.84 -12.13 C:16 21.61 -7.78 C:19 14.54 -11.98 C:15 20.81 -9.20 C:13 20.45 -6.78 C:7 19.24 -10.30 C:105 9.82 -13.09 C:104 10.14 -14.46 C:103 11.48 -14.86 C:102 12.50 -13.90 C:101 12.18 -12.54 C:5 16.78 -10.30 C:9 18.02 -8.19 C:4 15.55 -11.03 C:10 16.78 -8.90 C:8 19.24 -8.90 33 1 -1 34 2 -1 3 23 2 35 4 -1 36 5 -2 6 24 2 7 25 2 8 14 1 27 9 -2 29 10 -2 30 11 -1 31 12 -2 13 16 1 13 17 1 28 14 -1 15 18 1 15 26 1 16 35 1 17 36 1 18 34 1 19 27 1 19 33 1 20 26 1 20 37 1 21 24 1 32 21 -1 22 28 1 22 32 1 23 25 1 26 23 -1 35 24 -2 37 25 -1 27 37 1 28 29 1 29 30 1 30 31 1 31 32 1 33 35 1 33 36 1 34 36 1 34 37 1', '37 41 H 16.80 -11.31 H 18.02 -9.18 C 22.99 -7.45 C 16.52 -12.07 C 16.78 -7.50 O 14.87 -13.34 O 21.39 -10.48 O 8.16 -11.33 O 20.47 -10.98 O 9.12 -15.42 O 11.80 -16.22 O 13.84 -14.30 C 14.34 -8.90 C 8.48 -12.69 C 19.24 -6.07 C 14.34 -10.30 C 15.55 -8.19 C 18.02 -6.78 C 18.02 -11.03 C 20.45 -8.19 O 13.20 -11.58 O 10.84 -12.13 C 21.61 -7.78 C 14.54 -11.98 C 20.81 -9.20 C 20.45 -6.78 C 19.24 -10.30 C 9.82 -13.09 C 10.14 -14.46 C 11.48 -14.86 C 12.50 -13.90 C 12.18 -12.54 C 16.78 -10.30 C 18.02 -8.19 C 15.55 -11.03 C 16.78 -8.90 C 19.24 -8.90 33 1 -1 34 2 -1 3 23 2 35 4 -1 36 5 -2 6 24 2 7 25 2 8 14 1 27 9 -2 29 10 -2 30 11 -1 31 12 -2 13 16 1 13 17 1 28 14 -1 15 18 1 15 26 1 16 35 1 17 36 1 18 34 1 19 27 1 19 33 1 20 26 1 20 37 1 21 24 1 32 21 -1 22 28 1 22 32 1 23 25 1 26 23 -1 35 24 -2 37 25 -1 27 37 1 28 29 1 29 30 1 30 31 1 31 32 1 33 35 1 33 36 1 34 36 1 34 37 1', '37 41 H 16.80 -11.31 H 18.02 -9.18 C:113 22.99 -7.45 C:28 16.52 -12.07 C:16 16.78 -7.50 O 14.87 -13.34 O 21.39 -10.48 O 8.16 -11.33 O 20.47 -10.98 O 9.12 -15.42 O 11.80 -16.22 O 13.84 -14.30 C:19 14.34 -8.90 C:62 8.48 -12.69 C:33 19.24 -6.07 C:38 14.34 -10.30 C:40 15.55 -8.19 C:19 18.02 -6.78 C:31 18.02 -11.03 C:29 20.45 -8.19 O 13.20 -11.58 O 10.84 -12.13 C:50 21.61 -7.78 C:177 14.54 -11.98 C:210 20.81 -9.20 C:38 20.45 -6.78 C:71 19.24 -10.30 C:79 9.82 -13.09 C:71 10.14 -14.46 C:79 11.48 -14.86 C:74 12.50 -13.90 C:96 12.18 -12.54 C:54 16.78 -10.30 C:52 18.02 -8.19 C:44 15.55 -11.03 C:40 16.78 -8.90 C:59 19.24 -8.90 33 1 -1 34 2 -1 3 23 2 35 4 -1 36 5 -2 6 24 2 7 25 2 8 14 1 27 9 -2 29 10 -2 30 11 -1 31 12 -2 13 16 1 13 17 1 28 14 -1 15 18 1 15 26 1 16 35 1 17 36 1 18 34 1 19 27 1 19 33 1 20 26 1 20 37 1 21 24 1 32 21 -1 22 28 1 22 32 1 23 25 1 26 23 -1 35 24 -2 37 25 -1 27 37 1 28 29 1 29 30 1 30 31 1 31 32 1 33 35 1 33 36 1 34 36 1 34 37 1', 'C26H38O9', 494.289, 'P', 'ph44_479_1', 2519, '', '', '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
(5455, 'Isodoglutinosin  A  ', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[C:16](=[CH2:17])[C:15](=O)[C@:8]1([C:7](=O)[C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][C@H:1](O)[C@@:10]23[CH3:20])[C@@H:14]4O', '[H][C@@]12CC[C@H]4C(=C)C(=O)[C@]1(C(=O)[C@@H](OC(C)=O)[C@]3([H])[C@@](C)(C)CC[C@H](O)[C@@]23C)[C@@H]4O', '[H][C@@:57]12[CH2:20][CH2:32][C@H:47]4[C:149](=[CH2:117])[C:202](=O)[C@:71]1([C:199](=O)[C@@H:76](O[C:171]([CH3:21])=O)[C@:54]3([H])[C@@:34]([CH3:22])([CH3:35])[CH2:40][CH2:30][C@H:79](O)[C@@:47]23[CH3:15])[C@@H:75]4O', '30 33 H 14.96 -10.05 H 13.75 -12.18 C:17 19.89 -8.35 C:6002 16.18 -15.37 C:19 11.50 -12.83 C:18 13.47 -12.92 C:20 13.73 -8.40 O 17.38 -13.26 O 18.29 -11.35 O 17.39 -11.85 O 12.48 -7.69 O 19.02 -9.66 C:2 11.30 -9.77 C:12 16.16 -6.97 C:3 11.30 -11.17 C:11 14.96 -7.68 O 14.98 -13.28 C:6001 16.18 -13.97 C:16 18.51 -8.67 C:15 17.73 -10.07 C:7 16.16 -11.17 C:1 12.50 -9.08 C:13 17.37 -7.68 C:14 17.37 -9.08 C:6 14.96 -11.90 C:4 12.50 -11.90 C:9 14.96 -9.08 C:5 13.73 -11.17 C:10 13.73 -9.77 C:8 16.16 -9.77 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -2 26 6 -1 29 7 -2 8 18 2 9 20 2 10 21 2 22 11 -2 24 12 -1 13 15 1 13 22 1 14 16 1 14 23 1 15 26 1 16 27 1 17 18 1 25 17 -1 19 20 1 23 19 -1 30 20 -1 21 25 1 21 30 1 22 29 1 23 24 1 24 30 1 25 28 1 26 28 1 27 29 1 27 30 1 28 29 1', '30 33 H 14.96 -10.05 H 13.75 -12.18 C 19.89 -8.35 C 16.18 -15.37 C 11.50 -12.83 C 13.47 -12.92 C 13.73 -8.40 O 17.38 -13.26 O 18.29 -11.35 O 17.39 -11.85 O 12.48 -7.69 O 19.02 -9.66 C 11.30 -9.77 C 16.16 -6.97 C 11.30 -11.17 C 14.96 -7.68 O 14.98 -13.28 C 16.18 -13.97 C 18.51 -8.67 C 17.73 -10.07 C 16.16 -11.17 C 12.50 -9.08 C 17.37 -7.68 C 17.37 -9.08 C 14.96 -11.90 C 12.50 -11.90 C 14.96 -9.08 C 13.73 -11.17 C 13.73 -9.77 C 16.16 -9.77 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -2 26 6 -1 29 7 -2 8 18 2 9 20 2 10 21 2 22 11 -2 24 12 -1 13 15 1 13 22 1 14 16 1 14 23 1 15 26 1 16 27 1 17 18 1 25 17 -1 19 20 1 23 19 -1 30 20 -1 21 25 1 21 30 1 22 29 1 23 24 1 24 30 1 25 28 1 26 28 1 27 29 1 27 30 1 28 29 1', '30 33 H 14.96 -10.05 H 13.75 -12.18 C:117 19.89 -8.35 C:21 16.18 -15.37 C:22 11.50 -12.83 C:35 13.47 -12.92 C:15 13.73 -8.40 O 17.38 -13.26 O 18.29 -11.35 O 17.39 -11.85 O 12.48 -7.69 O 19.02 -9.66 C:30 11.30 -9.77 C:32 16.16 -6.97 C:40 11.30 -11.17 C:20 14.96 -7.68 O 14.98 -13.28 C:171 16.18 -13.97 C:149 18.51 -8.67 C:202 17.73 -10.07 C:199 16.16 -11.17 C:79 12.50 -9.08 C:47 17.37 -7.68 C:75 17.37 -9.08 C:76 14.96 -11.90 C:34 12.50 -11.90 C:57 14.96 -9.08 C:54 13.73 -11.17 C:47 13.73 -9.77 C:71 16.16 -9.77 27 1 -1 28 2 -1 3 19 2 4 18 1 26 5 -2 26 6 -1 29 7 -2 8 18 2 9 20 2 10 21 2 22 11 -2 24 12 -1 13 15 1 13 22 1 14 16 1 14 23 1 15 26 1 16 27 1 17 18 1 25 17 -1 19 20 1 23 19 -1 30 20 -1 21 25 1 21 30 1 22 29 1 23 24 1 24 30 1 25 28 1 26 28 1 27 29 1 27 30 1 28 29 1', 'C22H30O6', 390.248, 'P', 'ph45_559_1', 918, 'He dejado los metilos 18 y 19 como en el programa y al revÈs de cÛmo en el pdf', '', '1', 1, NULL, NULL),
(5456, 'Isodoglutinosin  B  ', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]45[CH2:6][CH2:7][C@:8]23[CH2:14][C@H:13]1[CH2:12][C@@H:11](O[C@:16]1([CH2:17]O)[CH2:15]2)[C@@:9]3([H])[C@:10]4([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]5([CH3:18])[CH3:19]', '[H][C@]45CC[C@]23C[C@H]1C[C@@H](O[C@]1(CO)C2)[C@@]3([H])[C@]4(C)[C@@H](O)CC[C@@]5(C)C', '[H][C@:56]45[CH2:20][CH2:39][C@:44]23[CH2:41][C@H:43]1[CH2:44][C@@H:80](O[C@:90]1([CH2:66]O)[CH2:54]2)[C@@:61]3([H])[C@:46]4([CH3:14])[C@@H:81](O)[CH2:30][CH2:40][C@@:33]5([CH3:34])[CH3:22]', '25 29 H 13.27 -13.33 H 14.45 -11.27 C:19 11.08 -13.98 C:18 12.99 -14.07 C:20 13.25 -9.63 O 20.23 -10.58 O 12.06 -8.94 C:17 19.29 -9.58 C:2 10.88 -10.99 C:3 10.88 -12.36 C:6 14.45 -13.06 C:7 15.64 -12.36 C:12 15.64 -8.24 C:14 16.82 -10.30 C:15 17.17 -11.29 O 15.64 -9.91 C:1 12.06 -10.30 C:13 16.82 -8.93 C:11 14.45 -8.93 C:4 12.06 -13.06 C:5 13.25 -12.36 C:8 15.64 -10.99 C:16 17.94 -9.91 C:9 14.45 -10.30 C:10 13.25 -10.99 21 1 -1 24 2 -1 20 3 -2 20 4 -1 25 5 -2 6 8 1 17 7 -2 23 8 -2 9 10 1 9 17 1 10 20 1 11 12 1 11 21 1 12 22 1 13 18 1 13 19 1 14 18 1 14 22 1 22 15 -1 15 23 1 19 16 -1 16 23 1 17 25 1 18 23 -1 19 24 1 20 21 1 21 25 1 22 24 1 24 25 1', '25 29 H 13.27 -13.33 H 14.45 -11.27 C 11.08 -13.98 C 12.99 -14.07 C 13.25 -9.63 O 20.23 -10.58 O 12.06 -8.94 C 19.29 -9.58 C 10.88 -10.99 C 10.88 -12.36 C 14.45 -13.06 C 15.64 -12.36 C 15.64 -8.24 C 16.82 -10.30 C 17.17 -11.29 O 15.64 -9.91 C 12.06 -10.30 C 16.82 -8.93 C 14.45 -8.93 C 12.06 -13.06 C 13.25 -12.36 C 15.64 -10.99 C 17.94 -9.91 C 14.45 -10.30 C 13.25 -10.99 21 1 -1 24 2 -1 20 3 -2 20 4 -1 25 5 -2 6 8 1 17 7 -2 23 8 -2 9 10 1 9 17 1 10 20 1 11 12 1 11 21 1 12 22 1 13 18 1 13 19 1 14 18 1 14 22 1 22 15 -1 15 23 1 19 16 -1 16 23 1 17 25 1 18 23 -1 19 24 1 20 21 1 21 25 1 22 24 1 24 25 1', '25 29 H 13.27 -13.33 H 14.45 -11.27 C:22 11.08 -13.98 C:34 12.99 -14.07 C:14 13.25 -9.63 O 20.23 -10.58 O 12.06 -8.94 C:66 19.29 -9.58 C:30 10.88 -10.99 C:40 10.88 -12.36 C:20 14.45 -13.06 C:39 15.64 -12.36 C:44 15.64 -8.24 C:41 16.82 -10.30 C:54 17.17 -11.29 O 15.64 -9.91 C:81 12.06 -10.30 C:43 16.82 -8.93 C:80 14.45 -8.93 C:33 12.06 -13.06 C:56 13.25 -12.36 C:44 15.64 -10.99 C:90 17.94 -9.91 C:61 14.45 -10.30 C:46 13.25 -10.99 21 1 -1 24 2 -1 20 3 -2 20 4 -1 25 5 -2 6 8 1 17 7 -2 23 8 -2 9 10 1 9 17 1 10 20 1 11 12 1 11 21 1 12 22 1 13 18 1 13 19 1 14 18 1 14 22 1 22 15 -1 15 23 1 19 16 -1 16 23 1 17 25 1 18 23 -1 19 24 1 20 21 1 21 25 1 22 24 1 24 25 1', 'C20H32O3', 320.228, 'P', 'ph45_559_2', 918, 'He dejado los metilos 18 y 19 como en el programa y al revÈs de cÛmo en el pdf', '', '1', 1, NULL, NULL),
(5457, 'Longirabdolide E ', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([C:7](=O)O[CH2:20][C@:10]23[C@@H:1](O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH3:19])[C@H:5]3[CH2:6]O)[C:15](=O)[C:16]4=[CH2:17]', '[H][C@@]12CC[C@H]4C[C@@]1(C(=O)OC[C@]23[C@@H](O)CC[C@@](C)(C)[C@H]3CO)C(=O)C4=C', '[H][C@@:43]12[CH2:18][CH2:31][C@H:36]4[CH2:30][C@@:60]1([C:171](=O)O[CH2:69][C@:44]23[C@@H:75](O)[CH2:29][CH2:41][C@@:34]([CH3:34])([CH3:24])[C@H:53]3[CH2:59]O)[C:204](=O)[C:153]4=[CH2:117]', '26 29 H 15.78 -9.55 C:17 19.73 -9.45 C:18 13.53 -13.86 C:19 11.65 -13.77 O 16.96 -13.30 O 18.21 -12.40 O 14.97 -14.21 O 12.56 -8.75 C:6 14.97 -12.87 C:12 16.14 -8.11 C:2 11.46 -10.84 C:3 11.46 -12.17 C:11 14.97 -8.79 C:20 13.78 -9.50 C:14 17.29 -10.15 O 14.84 -11.71 C:16 18.41 -9.76 C:7 16.14 -12.17 C:15 17.64 -11.12 C:13 17.29 -8.79 C:1 12.60 -10.15 C:5 13.78 -12.17 C:4 12.60 -12.87 C:9 14.97 -10.15 C:8 16.14 -10.84 C:10 13.78 -10.84 24 1 -1 2 17 2 23 3 -1 23 4 -2 5 18 2 6 19 2 7 9 1 21 8 -2 22 9 -2 10 13 1 10 20 1 11 12 1 11 21 1 12 23 1 13 24 1 14 16 1 26 14 -2 20 15 -2 25 15 -2 16 18 1 17 19 1 17 20 1 25 18 -1 19 25 1 21 26 1 22 23 1 22 26 1 24 25 1 24 26 1', '26 29 H 15.78 -9.55 C 19.73 -9.45 C 13.53 -13.86 C 11.65 -13.77 O 16.96 -13.30 O 18.21 -12.40 O 14.97 -14.21 O 12.56 -8.75 C 14.97 -12.87 C 16.14 -8.11 C 11.46 -10.84 C 11.46 -12.17 C 14.97 -8.79 C 13.78 -9.50 C 17.29 -10.15 O 14.84 -11.71 C 18.41 -9.76 C 16.14 -12.17 C 17.64 -11.12 C 17.29 -8.79 C 12.60 -10.15 C 13.78 -12.17 C 12.60 -12.87 C 14.97 -10.15 C 16.14 -10.84 C 13.78 -10.84 24 1 -1 2 17 2 23 3 -1 23 4 -2 5 18 2 6 19 2 7 9 1 21 8 -2 22 9 -2 10 13 1 10 20 1 11 12 1 11 21 1 12 23 1 13 24 1 14 16 1 26 14 -2 20 15 -2 25 15 -2 16 18 1 17 19 1 17 20 1 25 18 -1 19 25 1 21 26 1 22 23 1 22 26 1 24 25 1 24 26 1', '26 29 H 15.78 -9.55 C:117 19.73 -9.45 C:34 13.53 -13.86 C:24 11.65 -13.77 O 16.96 -13.30 O 18.21 -12.40 O 14.97 -14.21 O 12.56 -8.75 C:59 14.97 -12.87 C:31 16.14 -8.11 C:29 11.46 -10.84 C:41 11.46 -12.17 C:18 14.97 -8.79 C:69 13.78 -9.50 C:30 17.29 -10.15 O 14.84 -11.71 C:153 18.41 -9.76 C:171 16.14 -12.17 C:204 17.64 -11.12 C:36 17.29 -8.79 C:75 12.60 -10.15 C:53 13.78 -12.17 C:34 12.60 -12.87 C:43 14.97 -10.15 C:60 16.14 -10.84 C:44 13.78 -10.84 24 1 -1 2 17 2 23 3 -1 23 4 -2 5 18 2 6 19 2 7 9 1 21 8 -2 22 9 -2 10 13 1 10 20 1 11 12 1 11 21 1 12 23 1 13 24 1 14 16 1 26 14 -2 20 15 -2 25 15 -2 16 18 1 17 19 1 17 20 1 25 18 -1 19 25 1 21 26 1 22 23 1 22 26 1 24 25 1 24 26 1', 'C20H28O5', 348.219, 'P', 'ph45_785_1', 2188, '', '', '1', 1, NULL, NULL),
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(5468, 'Enanderinanin G', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([C:15](=O)[C@@H:16]2[CH2:17]O[CH3:17001])[C@@:7]5(O)O[CH2:20][C@:10]34[C@H:1](O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[C@@:5]4([H])[C@@H:6]5O', '[H][C@@]13CC[C@H]2C[C@]1(C(=O)[C@@H]2COC)[C@@]5(O)OC[C@]34[C@H](O)CC[C@@](C)(COC(C)=O)[C@@]4([H])[C@@H]5O', '[H][C@@:46]13[CH2:16][CH2:20][C@H:30]2[CH2:27][C@:60]1([C:224](=O)[C@@H:57]2[CH2:69]O[CH3:58])[C@@:96]5(O)O[CH2:66][C@:41]34[C@H:64](O)[CH2:28][CH2:29][C@@:38]([CH3:27])([CH2:67]O[C:171]([CH3:20])=O)[C@@:57]4([H])[C@@H:73]5O', '33 37 H 16.68 -8.88 H 14.63 -12.59 C:17001 22.40 -7.13 C:19002 8.69 -13.42 C:18 14.16 -13.33 O 10.37 -15.19 O 19.09 -11.79 O 13.40 -8.18 O 15.83 -13.68 O 18.20 -12.26 C:2 12.23 -10.23 C:12 17.00 -7.49 C:17 20.66 -8.82 C:3 12.23 -11.60 C:11 15.82 -8.17 C:19 12.51 -13.25 C:20 14.61 -8.88 C:14 18.18 -9.55 O 21.05 -7.49 O 11.06 -12.84 O 15.81 -10.95 C:19001 10.05 -13.82 C:15 18.54 -10.53 C:1 13.40 -9.55 C:13 18.18 -8.17 C:16 19.31 -9.15 C:6 15.82 -12.31 C:4 13.40 -12.31 C:9 15.82 -9.55 C:5 14.61 -11.60 C:7 17.00 -11.60 C:8 17.00 -10.23 C:10 14.61 -10.23 29 1 -1 30 2 -1 3 19 1 4 22 1 28 5 -1 6 22 2 7 23 2 24 8 -1 27 9 -1 31 10 -1 11 14 1 11 24 1 12 15 1 12 25 1 13 19 1 26 13 -1 14 28 1 15 29 1 16 20 1 28 16 -2 17 21 1 33 17 -2 25 18 -2 32 18 -2 20 22 1 21 31 1 23 26 1 23 32 1 24 33 1 25 26 1 27 30 1 27 31 1 28 30 1 29 32 1 29 33 1 30 33 1 31 32 1', '33 37 H 16.68 -8.88 H 14.63 -12.59 C 22.40 -7.13 C 8.69 -13.42 C 14.16 -13.33 O 10.37 -15.19 O 19.09 -11.79 O 13.40 -8.18 O 15.83 -13.68 O 18.20 -12.26 C 12.23 -10.23 C 17.00 -7.49 C 20.66 -8.82 C 12.23 -11.60 C 15.82 -8.17 C 12.51 -13.25 C 14.61 -8.88 C 18.18 -9.55 O 21.05 -7.49 O 11.06 -12.84 O 15.81 -10.95 C 10.05 -13.82 C 18.54 -10.53 C 13.40 -9.55 C 18.18 -8.17 C 19.31 -9.15 C 15.82 -12.31 C 13.40 -12.31 C 15.82 -9.55 C 14.61 -11.60 C 17.00 -11.60 C 17.00 -10.23 C 14.61 -10.23 29 1 -1 30 2 -1 3 19 1 4 22 1 28 5 -1 6 22 2 7 23 2 24 8 -1 27 9 -1 31 10 -1 11 14 1 11 24 1 12 15 1 12 25 1 13 19 1 26 13 -1 14 28 1 15 29 1 16 20 1 28 16 -2 17 21 1 33 17 -2 25 18 -2 32 18 -2 20 22 1 21 31 1 23 26 1 23 32 1 24 33 1 25 26 1 27 30 1 27 31 1 28 30 1 29 32 1 29 33 1 30 33 1 31 32 1', '33 37 H 16.68 -8.88 H 14.63 -12.59 C:58 22.40 -7.13 C:20 8.69 -13.42 C:27 14.16 -13.33 O 10.37 -15.19 O 19.09 -11.79 O 13.40 -8.18 O 15.83 -13.68 O 18.20 -12.26 C:28 12.23 -10.23 C:20 17.00 -7.49 C:69 20.66 -8.82 C:29 12.23 -11.60 C:16 15.82 -8.17 C:67 12.51 -13.25 C:66 14.61 -8.88 C:27 18.18 -9.55 O 21.05 -7.49 O 11.06 -12.84 O 15.81 -10.95 C:171 10.05 -13.82 C:224 18.54 -10.53 C:64 13.40 -9.55 C:30 18.18 -8.17 C:57 19.31 -9.15 C:73 15.82 -12.31 C:38 13.40 -12.31 C:46 15.82 -9.55 C:57 14.61 -11.60 C:96 17.00 -11.60 C:60 17.00 -10.23 C:41 14.61 -10.23 29 1 -1 30 2 -1 3 19 1 4 22 1 28 5 -1 6 22 2 7 23 2 24 8 -1 27 9 -1 31 10 -1 11 14 1 11 24 1 12 15 1 12 25 1 13 19 1 26 13 -1 14 28 1 15 29 1 16 20 1 28 16 -2 17 21 1 33 17 -2 25 18 -2 32 18 -2 20 22 1 21 31 1 23 26 1 23 32 1 24 33 1 25 26 1 27 30 1 27 31 1 28 30 1 29 32 1 29 33 1 30 33 1 31 32 1', 'C23H34O8', 438.257, 'P', 'ph60_55_3', 1592, '', '', '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
(5485, '15-Methoxypinusolidic Acid', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][CH:15](O[CH3:15001])O[C:16]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O', '[H][C@@]23CCC(=C)[C@H](CCC1=CC(OC)OC1=O)[C@@]2(C)CCC[C@]3(C)C(=O)O', '[H][C@@:56]23[CH2:26][CH2:39][C:147](=[CH2:107])[C@H:56]([CH2:22][CH2:25][C:139]1=[CH:142][CH:102](O[CH3:57])O[C:171]1=O)[C@@:41]2([CH3:13])[CH2:39][CH2:20][CH2:38][C@:44]3([CH3:29])[C:183](=O)O', '27 29 H 14.66 -15.05 C:17 18.35 -11.95 C:15001 20.03 -5.23 C:18 14.38 -15.86 C:20 14.66 -11.24 O 12.88 -17.19 O 14.66 -7.99 O 11.11 -15.54 C:14 18.27 -7.57 C:2 12.19 -12.67 C:7 17.12 -14.09 C:12 17.12 -9.82 C:11 15.89 -10.53 C:3 12.19 -14.09 C:1 13.43 -11.95 C:6 15.89 -14.81 O 18.63 -5.10 O 16.42 -6.24 C:8 17.12 -12.67 C:19 12.47 -15.85 C:16 15.99 -7.57 C:13 17.12 -8.40 C:15 17.82 -6.24 C:9 15.89 -11.95 C:5 14.66 -14.09 C:4 13.43 -14.81 C:10 14.66 -12.67 25 1 -2 2 19 2 3 17 1 26 4 -2 27 5 -1 6 20 2 7 21 2 8 20 1 9 22 2 9 23 1 10 14 1 10 15 1 11 16 1 11 19 1 12 13 1 12 22 1 24 13 -1 14 26 1 15 27 1 16 25 1 17 23 1 18 21 1 18 23 1 19 24 1 26 20 -1 21 22 1 24 27 1 25 26 1 25 27 1', '27 29 H 14.66 -15.05 C 18.35 -11.95 C 20.03 -5.23 C 14.38 -15.86 C 14.66 -11.24 O 12.88 -17.19 O 14.66 -7.99 O 11.11 -15.54 C 18.27 -7.57 C 12.19 -12.67 C 17.12 -14.09 C 17.12 -9.82 C 15.89 -10.53 C 12.19 -14.09 C 13.43 -11.95 C 15.89 -14.81 O 18.63 -5.10 O 16.42 -6.24 C 17.12 -12.67 C 12.47 -15.85 C 15.99 -7.57 C 17.12 -8.40 C 17.82 -6.24 C 15.89 -11.95 C 14.66 -14.09 C 13.43 -14.81 C 14.66 -12.67 25 1 -2 2 19 2 3 17 1 26 4 -2 27 5 -1 6 20 2 7 21 2 8 20 1 9 22 2 9 23 1 10 14 1 10 15 1 11 16 1 11 19 1 12 13 1 12 22 1 24 13 -1 14 26 1 15 27 1 16 25 1 17 23 1 18 21 1 18 23 1 19 24 1 26 20 -1 21 22 1 24 27 1 25 26 1 25 27 1', '27 29 H 14.66 -15.05 C:107 18.35 -11.95 C:57 20.03 -5.23 C:29 14.38 -15.86 C:13 14.66 -11.24 O 12.88 -17.19 O 14.66 -7.99 O 11.11 -15.54 C:142 18.27 -7.57 C:20 12.19 -12.67 C:39 17.12 -14.09 C:25 17.12 -9.82 C:22 15.89 -10.53 C:38 12.19 -14.09 C:39 13.43 -11.95 C:26 15.89 -14.81 O 18.63 -5.10 O 16.42 -6.24 C:147 17.12 -12.67 C:183 12.47 -15.85 C:171 15.99 -7.57 C:139 17.12 -8.40 C:102 17.82 -6.24 C:56 15.89 -11.95 C:56 14.66 -14.09 C:44 13.43 -14.81 C:41 14.66 -12.67 25 1 -2 2 19 2 3 17 1 26 4 -2 27 5 -1 6 20 2 7 21 2 8 20 1 9 22 2 9 23 1 10 14 1 10 15 1 11 16 1 11 19 1 12 13 1 12 22 1 24 13 -1 14 26 1 15 27 1 16 25 1 17 23 1 18 21 1 18 23 1 19 24 1 26 20 -1 21 22 1 24 27 1 25 26 1 25 27 1', 'C21H30O5', 362.23, 'C', 'cpb04_762_1', 397, '', '', '1', 1, NULL, NULL),
(5486, '', '(2E,6E,10Z)-1-Hydroxy-2,6,10,14-phytatetraen-18-oic Acid', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:16][C:15]([CH3:17])=[CH:14][CH2:13][CH2:12][C:11](=[CH:10][CH2:9][CH2:8][C:7]([CH3:19])=[CH:6][CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]O)[C:18](=O)O', 'CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCO)C(=O)O', '[CH3:18][C:132]([CH3:16])=[CH:124][CH2:26][CH2:35][C:131](=[CH:145][CH2:28][CH2:26][C:135]([CH3:16])=[CH:124][CH2:26][CH2:26][C:139]([CH3:16])=[CH:123][CH2:59]O)[C:172](=O)O', '23 22 C:16 6.48 -12.21 C:17 7.69 -10.11 C:20 22.25 -10.11 C:19 17.40 -10.11 O 11.33 -9.41 O 25.88 -12.21 O 13.75 -9.41 C:2 23.46 -12.21 C:14 8.90 -12.21 C:6 18.61 -12.21 C:10 13.75 -12.21 C:1 24.67 -11.51 C:13 10.11 -11.51 C:5 19.82 -11.51 C:9 14.96 -11.51 C:4 21.04 -12.21 C:8 16.19 -12.21 C:12 11.33 -12.21 C:15 7.69 -11.51 C:3 22.25 -11.51 C:7 17.40 -11.51 C:18 12.54 -10.11 C:11 12.54 -11.51 1 19 1 2 19 1 3 20 1 4 21 1 5 22 2 6 12 1 7 22 1 8 12 1 8 20 2 9 13 1 9 19 2 10 14 1 10 21 2 11 15 1 11 23 2 13 18 1 14 16 1 15 17 1 16 20 1 17 21 1 18 23 1 22 23 1', '23 22 C 6.48 -12.21 C 7.69 -10.11 C 22.25 -10.11 C 17.40 -10.11 O 11.33 -9.41 O 25.88 -12.21 O 13.75 -9.41 C 23.46 -12.21 C 8.90 -12.21 C 18.61 -12.21 C 13.75 -12.21 C 24.67 -11.51 C 10.11 -11.51 C 19.82 -11.51 C 14.96 -11.51 C 21.04 -12.21 C 16.19 -12.21 C 11.33 -12.21 C 7.69 -11.51 C 22.25 -11.51 C 17.40 -11.51 C 12.54 -10.11 C 12.54 -11.51 1 19 1 2 19 1 3 20 1 4 21 1 5 22 2 6 12 1 7 22 1 8 12 1 8 20 2 9 13 1 9 19 2 10 14 1 10 21 2 11 15 1 11 23 2 13 18 1 14 16 1 15 17 1 16 20 1 17 21 1 18 23 1 22 23 1', '23 22 C:18 6.48 -12.21 C:16 7.69 -10.11 C:16 22.25 -10.11 C:16 17.40 -10.11 O 11.33 -9.41 O 25.88 -12.21 O 13.75 -9.41 C:123 23.46 -12.21 C:124 8.90 -12.21 C:124 18.61 -12.21 C:145 13.75 -12.21 C:59 24.67 -11.51 C:26 10.11 -11.51 C:26 19.82 -11.51 C:28 14.96 -11.51 C:26 21.04 -12.21 C:26 16.19 -12.21 C:35 11.33 -12.21 C:132 7.69 -11.51 C:139 22.25 -11.51 C:135 17.40 -11.51 C:172 12.54 -10.11 C:131 12.54 -11.51 1 19 1 2 19 1 3 20 1 4 21 1 5 22 2 6 12 1 7 22 1 8 12 1 8 20 2 9 13 1 9 19 2 10 14 1 10 21 2 11 15 1 11 23 2 13 18 1 14 16 1 15 17 1 16 20 1 17 21 1 18 23 1 22 23 1', 'C20H32O3', 320.212, 'C', 'cpb04_762_2', 397, '', '', '1', 1, NULL, NULL),
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(5503, '15-epileoheteronone B', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[CH2:6][C:7](=O)[C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C:13]1([CH2:16]O[C@H:15](O)[CH2:14]1)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34CC(=O)[C@@H](C)[C@]2(CCC1(CO[C@H](O)C1)O2)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:50]34[CH2:35][C:210](=O)[C@@H:46]([CH3:9])[C@:96]2([CH2:30][CH2:39][C:90]1([CH2:77]O[C@H:99](O)[CH2:48]1)O2)[C@@:43]3([CH3:19])[CH2:33][CH2:18][CH2:42][C@@:34]4([CH3:21])[CH3:33]', '25 28 H 13.91 -14.19 C:17 17.67 -11.07 C:19 11.68 -15.00 C:18 13.63 -15.01 C:20 13.29 -10.55 O 17.68 -13.86 O 19.79 -8.27 C:2 11.40 -11.81 C:3 11.40 -13.21 C:1 12.65 -11.07 C:12 15.03 -8.78 C:11 14.30 -10.12 C:16 16.20 -7.77 C:6 15.16 -13.94 C:14 17.62 -9.53 O 17.51 -7.27 O 16.46 -10.41 C:7 16.44 -13.21 C:15 18.39 -8.35 C:8 16.44 -11.81 C:4 12.65 -13.94 C:5 13.92 -13.21 C:13 16.27 -9.17 C:10 13.92 -11.81 C:9 15.16 -11.07 22 1 -2 20 2 -2 21 3 -1 21 4 -2 24 5 -1 6 18 2 19 7 -2 8 9 1 8 10 1 9 21 1 10 24 1 11 12 1 11 23 1 25 12 -1 13 16 1 23 13 -1 14 18 1 14 22 1 15 19 1 23 15 -2 16 19 1 23 17 -2 25 17 -2 18 20 1 20 25 1 21 22 1 22 24 1 24 25 1', '25 28 H 13.91 -14.19 C 17.67 -11.07 C 11.68 -15.00 C 13.63 -15.01 C 13.29 -10.55 O 17.68 -13.86 O 19.79 -8.27 C 11.40 -11.81 C 11.40 -13.21 C 12.65 -11.07 C 15.03 -8.78 C 14.30 -10.12 C 16.20 -7.77 C 15.16 -13.94 C 17.62 -9.53 O 17.51 -7.27 O 16.46 -10.41 C 16.44 -13.21 C 18.39 -8.35 C 16.44 -11.81 C 12.65 -13.94 C 13.92 -13.21 C 16.27 -9.17 C 13.92 -11.81 C 15.16 -11.07 22 1 -2 20 2 -2 21 3 -1 21 4 -2 24 5 -1 6 18 2 19 7 -2 8 9 1 8 10 1 9 21 1 10 24 1 11 12 1 11 23 1 25 12 -1 13 16 1 23 13 -1 14 18 1 14 22 1 15 19 1 23 15 -2 16 19 1 23 17 -2 25 17 -2 18 20 1 20 25 1 21 22 1 22 24 1 24 25 1', '25 28 H 13.91 -14.19 C:9 17.67 -11.07 C:21 11.68 -15.00 C:33 13.63 -15.01 C:19 13.29 -10.55 O 17.68 -13.86 O 19.79 -8.27 C:18 11.40 -11.81 C:42 11.40 -13.21 C:33 12.65 -11.07 C:39 15.03 -8.78 C:30 14.30 -10.12 C:77 16.20 -7.77 C:35 15.16 -13.94 C:48 17.62 -9.53 O 17.51 -7.27 O 16.46 -10.41 C:210 16.44 -13.21 C:99 18.39 -8.35 C:46 16.44 -11.81 C:34 12.65 -13.94 C:50 13.92 -13.21 C:90 16.27 -9.17 C:43 13.92 -11.81 C:96 15.16 -11.07 22 1 -2 20 2 -2 21 3 -1 21 4 -2 24 5 -1 6 18 2 19 7 -2 8 9 1 8 10 1 9 21 1 10 24 1 11 12 1 11 23 1 25 12 -1 13 16 1 23 13 -1 14 18 1 14 22 1 15 19 1 23 15 -2 16 19 1 23 17 -2 25 17 -2 18 20 1 20 25 1 21 22 1 22 24 1 24 25 1', 'C20H32O4', 336.22, 'C', 'cpb05_1475_7', 722, '', '', '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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