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
(14032, 'Saquayamycin B', '', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:406][C@@H:405]9O[C@@H:401](O[C@H:304]8[CH2:303][CH2:302][C@H:301](O[C@@:3]2([CH3:13])[CH2:2][C:1](=O)[C@:12002]1(O)[c:12001]7[c:6001]([CH:6]=[CH:5][C@:4001]1(O)[CH2:4]2)[c:7](=O)[c:7001]6[c:8](O)[c:9]([C@H:101]5[CH2:102][C@H:103]4O[C@H:202]3[CH2:203][C:204](=O)[C@H:205]([CH3:206])O[C@H:201]3O[C@@H:104]4[C@@H:105]([CH3:106])O5)[cH:10][cH:11][c:11001]6[c:12]7=O)O[C@H:305]8[CH3:306])[CH:402]=[CH:403][C:404]9=O', 'C[C@@H]9O[C@@H](O[C@H]8CC[C@H](O[C@@]2(C)CC(=O)[C@]1(O)c7c(C=C[C@]1(O)C2)c(=O)c6c(O)c([C@H]5C[C@H]4O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@@H]4[C@@H](C)O5)ccc6c7=O)O[C@H]8C)C=CC9=O', 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16.14 -9.94 C:188 14.90 -12.05 C:182 14.90 -9.24 C:131 13.68 -9.94 C:114 13.68 -11.36 C:71 28.82 -4.07 C:78 5.23 -17.66 C:67 22.76 -4.89 C:75 7.66 -12.05 C:95 26.47 -4.66 C:93 22.12 -7.23 C:72 10.07 -12.05 C:76 24.10 -5.26 C:71 7.66 -16.26 C:77 8.87 -14.16 C:91 6.43 -15.56 C:75 7.66 -13.46 C:82 19.77 -7.84 C:80 18.55 -9.94 C:77 17.32 -9.24 45 1 -1 46 2 -2 47 3 -1 48 4 -1 57 5 -1 6 34 2 7 35 2 8 36 2 9 41 2 10 42 2 11 37 1 58 12 -2 59 13 -2 14 16 2 14 34 1 15 17 2 15 38 1 16 49 1 17 58 1 18 19 2 18 39 1 19 43 1 20 21 1 20 50 1 21 52 1 22 35 1 22 53 1 23 36 1 23 57 1 24 51 1 24 54 1 25 57 1 25 58 1 26 45 1 26 49 1 27 46 1 27 55 1 28 47 1 28 50 1 29 48 1 29 51 1 49 30 -2 52 30 -1 53 31 -1 54 31 -1 55 32 -1 56 32 -2 50 33 -2 57 33 -2 34 45 1 35 46 1 36 59 1 37 39 2 37 44 1 38 40 2 38 41 1 51 39 -1 40 42 1 40 59 1 41 44 1 42 43 1 43 44 2 47 52 1 48 56 1 53 55 1 54 56 1 58 59 1', 'C43H48O16', 820.451, 'C', 'ja85_1171_2', 3607, '', '', '1', 1, NULL, NULL),
(14033, 'Saquayamycin C', '', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:406][C@@H:405]8O[C@@H:401](O[C@H:304]7[CH2:303][CH2:302][C@H:301](O[C@@:3]2([CH3:13])[CH2:2][C:1](=O)[C@:12002]1(O)[c:12001]6[c:6001]([CH:6]=[CH:5][C@:4001]1(O)[CH2:4]2)[c:7](=O)[c:7001]5[c:8](O)[c:9]([C@H:101]4[CH2:102][C@@H:103](O)[C@H:104](O[C@H:201]3[CH2:202][CH2:203][C:204](=O)[C@H:205]([CH3:206])O3)[C@@H:105]([CH3:106])O4)[cH:10][cH:11][c:11001]5[c:12]6=O)O[C@H:305]7[CH3:306])[CH2:402][CH2:403][C:404]8=O', 'C[C@@H]8O[C@@H](O[C@H]7CC[C@H](O[C@@]2(C)CC(=O)[C@]1(O)c6c(C=C[C@]1(O)C2)c(=O)c5c(O)c([C@H]4C[C@@H](O)[C@H](O[C@H]3CCC(=O)[C@H](C)O3)[C@@H](C)O4)ccc5c6=O)O[C@H]7C)CCC8=O', 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C:1 18.50 -9.97 C:8 13.66 -14.18 C:6001 17.31 -13.49 C:9 12.48 -13.47 C:12001 17.31 -12.07 C:7 16.07 -14.18 C:12 16.07 -11.37 C:11001 14.85 -12.07 C:7001 14.85 -13.47 C:405 29.98 -6.19 C:205 5.19 -13.49 C:305 23.94 -7.02 C:105 8.82 -14.18 C:103 10.04 -16.29 C:401 27.63 -6.79 C:201 6.40 -15.59 C:301 23.30 -9.36 C:101 11.24 -14.18 C:304 25.28 -7.39 C:104 8.82 -15.59 C:3 20.95 -9.97 C:4001 19.73 -12.07 C:12002 18.50 -11.37 46 1 -1 47 2 -2 48 3 -1 49 4 -1 57 5 -1 6 35 2 7 36 2 8 37 2 9 42 2 10 43 2 11 38 1 50 12 -1 58 13 -2 59 14 -2 15 16 2 15 39 1 16 58 1 17 18 2 17 40 1 18 44 1 19 21 1 19 35 1 20 22 1 20 36 1 21 51 1 22 52 1 23 24 1 23 53 1 24 55 1 25 37 1 25 57 1 26 50 1 26 54 1 27 57 1 27 58 1 28 46 1 28 51 1 29 47 1 29 52 1 30 48 1 30 53 1 31 49 1 31 54 1 51 32 -2 55 32 -1 52 33 -1 56 33 -2 53 34 -2 57 34 -2 35 46 1 36 47 1 37 59 1 38 40 2 38 45 1 39 41 2 39 42 1 54 40 -1 41 43 1 41 59 1 42 45 1 43 44 1 44 45 2 48 55 1 49 56 1 50 56 1 58 59 1', '59 66 C 30.98 -5.22 C 5.19 -12.07 C 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(14034, 'Saquayamycin D', '', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:406][C@@H:405]9O[C@@H:401](O[C@H:304]8[CH2:303][CH2:302][C@H:301](O[C@@:3]2([CH3:13])[CH2:2][C:1](=O)[C@:12002]1(O)[c:12001]7[c:6001]([CH:6]=[CH:5][C@:4001]1(O)[CH2:4]2)[c:7](=O)[c:7001]6[c:8](O)[c:9]([C@H:101]5[CH2:102][C@H:103]4O[C@H:202]3[CH2:203][C:204](=O)[C@H:205]([CH3:206])O[C@H:201]3O[C@@H:104]4[C@@H:105]([CH3:106])O5)[cH:10][cH:11][c:11001]6[c:12]7=O)O[C@H:305]8[CH3:306])[CH2:402][CH2:403][C:404]9=O', 'C[C@@H]9O[C@@H](O[C@H]8CC[C@H](O[C@@]2(C)CC(=O)[C@]1(O)c7c(C=C[C@]1(O)C2)c(=O)c6c(O)c([C@H]5C[C@H]4O[C@H]3CC(=O)[C@H](C)O[C@H]3O[C@@H]4[C@@H](C)O5)ccc6c7=O)O[C@H]8C)CCC9=O', 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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(14080, '', '17-Benzoyloxy-20-O-(2,3-dimethylbutanoyl)-13-(2,3-dimethylbutanoyloxy)ingenol', 'Terpenoids', 'Diterpenoids', 'Ingenanes', '[H][C@@:8]24[CH:7]=[C:6]([CH2:20]O[C:20001](=O)[CH:20002]([CH3:20005])[CH:20003]([CH3:20004])[CH3:20006])[C@@H:5](O)[C@:4]1(O)[C@@H:3](O)[C:2]([CH3:19])=[CH:1][C@@:10]1([C:9]2=O)[C@H:11]([CH3:18])[CH2:12][C@@:13]5(O[C:13001](=O)[CH:13002]([CH3:13005])[CH:13003]([CH3:13004])[CH3:13006])[C@@:15]([CH3:16])([CH2:17][C:17001](=O)[c:17002]3[cH:17003][cH:17004][cH:17005][cH:17006][cH:17007]3)[C@@:14]45[H]', '[H][C@@]24C=C(COC(=O)C(C)C(C)C)[C@@H](O)[C@]1(O)[C@@H](O)C(C)=C[C@@]1(C2=O)[C@H](C)C[C@@]5(OC(=O)C(C)C(C)C)[C@@](C)(CC(=O)c3ccccc3)[C@@]45[H]', '[H][C@@:43]24[CH:127]=[C:138]([CH2:66]O[C:176](=O)[CH:46]([CH3:14])[CH:31]([CH3:21])[CH3:19])[C@@H:74](O)[C@:84]1(O)[C@@H:80](O)[C:140]([CH3:15])=[CH:129][C@@:73]1([C:205]2=O)[C@H:39]([CH3:19])[CH2:36][C@@:68]5(O[C:176](=O)[CH:46]([CH3:13])[CH:30]([CH3:21])[CH3:19])[C@@:34]([CH3:19])([CH2:65][C:167](=O)[c:133]3[cH:130][cH:128][cH:133][cH:128][cH:130]3)[C@@:29]45[H]', '50 54 H 19.56 -11.02 H 19.95 -9.68 C:19 12.04 -10.94 C:20004 19.74 -19.72 C:20006 17.60 -20.83 C:13004 16.67 -2.57 C:13006 18.91 -3.51 C:18 14.36 -8.87 C:20005 16.31 -18.35 C:13005 15.57 -5.13 C:16 20.95 -8.12 O 22.49 -6.93 O 19.85 -17.30 O 19.19 -5.91 O 17.12 -9.34 O 12.97 -13.45 O 15.90 -14.82 O 15.19 -13.79 C:1 14.54 -10.30 C:7 18.78 -12.38 C:17005 21.28 -2.06 C:17004 20.04 -2.78 C:17006 22.49 -2.74 C:17003 20.04 -4.17 C:17007 22.49 -4.12 C:20 18.56 -14.81 C:17 20.09 -6.94 C:12 16.67 -8.52 O 17.81 -15.99 O 17.26 -7.37 C:2 13.46 -11.25 C:17001 21.28 -6.25 C:20001 18.45 -17.23 C:13001 17.81 -6.08 C:6 17.90 -13.53 C:9 17.12 -10.38 C:17002 21.28 -4.84 C:20003 18.34 -19.66 C:13003 17.51 -3.68 C:11 15.67 -9.50 C:20002 17.70 -18.41 C:13002 16.97 -4.96 C:3 14.05 -12.60 C:5 16.46 -13.56 C:8 18.45 -10.99 C:15 19.51 -8.30 C:14 18.91 -9.58 C:4 15.49 -12.44 C:10 15.81 -11.01 C:13 18.09 -8.48 45 1 -1 47 2 -2 3 31 1 4 38 1 5 38 1 6 39 1 7 39 1 40 8 -2 9 41 1 10 42 1 46 11 -2 12 32 2 13 33 2 14 34 2 15 36 2 43 16 -1 44 17 -1 48 18 -1 19 31 2 19 49 1 20 35 2 20 45 1 21 22 2 21 23 1 22 24 1 23 25 2 24 37 2 25 37 1 26 29 1 26 35 1 27 32 1 46 27 -1 28 40 1 28 50 1 29 33 1 30 34 1 50 30 -2 31 43 1 32 37 1 33 41 1 34 42 1 35 44 1 36 45 1 49 36 -2 38 41 1 39 42 1 40 49 1 43 48 1 44 48 1 45 47 1 46 47 1 46 50 1 47 50 1 48 49 1', '50 54 H 19.56 -11.02 H 19.95 -9.68 C 12.04 -10.94 C 19.74 -19.72 C 17.60 -20.83 C 16.67 -2.57 C 18.91 -3.51 C 14.36 -8.87 C 16.31 -18.35 C 15.57 -5.13 C 20.95 -8.12 O 22.49 -6.93 O 19.85 -17.30 O 19.19 -5.91 O 17.12 -9.34 O 12.97 -13.45 O 15.90 -14.82 O 15.19 -13.79 C 14.54 -10.30 C 18.78 -12.38 C 21.28 -2.06 C 20.04 -2.78 C 22.49 -2.74 C 20.04 -4.17 C 22.49 -4.12 C 18.56 -14.81 C 20.09 -6.94 C 16.67 -8.52 O 17.81 -15.99 O 17.26 -7.37 C 13.46 -11.25 C 21.28 -6.25 C 18.45 -17.23 C 17.81 -6.08 C 17.90 -13.53 C 17.12 -10.38 C 21.28 -4.84 C 18.34 -19.66 C 17.51 -3.68 C 15.67 -9.50 C 17.70 -18.41 C 16.97 -4.96 C 14.05 -12.60 C 16.46 -13.56 C 18.45 -10.99 C 19.51 -8.30 C 18.91 -9.58 C 15.49 -12.44 C 15.81 -11.01 C 18.09 -8.48 45 1 -1 47 2 -2 3 31 1 4 38 1 5 38 1 6 39 1 7 39 1 40 8 -2 9 41 1 10 42 1 46 11 -2 12 32 2 13 33 2 14 34 2 15 36 2 43 16 -1 44 17 -1 48 18 -1 19 31 2 19 49 1 20 35 2 20 45 1 21 22 2 21 23 1 22 24 1 23 25 2 24 37 2 25 37 1 26 29 1 26 35 1 27 32 1 46 27 -1 28 40 1 28 50 1 29 33 1 30 34 1 50 30 -2 31 43 1 32 37 1 33 41 1 34 42 1 35 44 1 36 45 1 49 36 -2 38 41 1 39 42 1 40 49 1 43 48 1 44 48 1 45 47 1 46 47 1 46 50 1 47 50 1 48 49 1', '50 54 H 19.56 -11.02 H 19.95 -9.68 C:15 12.04 -10.94 C:21 19.74 -19.72 C:19 17.60 -20.83 C:21 16.67 -2.57 C:19 18.91 -3.51 C:19 14.36 -8.87 C:14 16.31 -18.35 C:13 15.57 -5.13 C:19 20.95 -8.12 O 22.49 -6.93 O 19.85 -17.30 O 19.19 -5.91 O 17.12 -9.34 O 12.97 -13.45 O 15.90 -14.82 O 15.19 -13.79 C:129 14.54 -10.30 C:127 18.78 -12.38 C:133 21.28 -2.06 C:128 20.04 -2.78 C:128 22.49 -2.74 C:130 20.04 -4.17 C:130 22.49 -4.12 C:66 18.56 -14.81 C:65 20.09 -6.94 C:36 16.67 -8.52 O 17.81 -15.99 O 17.26 -7.37 C:140 13.46 -11.25 C:167 21.28 -6.25 C:176 18.45 -17.23 C:176 17.81 -6.08 C:138 17.90 -13.53 C:205 17.12 -10.38 C:133 21.28 -4.84 C:31 18.34 -19.66 C:30 17.51 -3.68 C:39 15.67 -9.50 C:46 17.70 -18.41 C:46 16.97 -4.96 C:80 14.05 -12.60 C:74 16.46 -13.56 C:43 18.45 -10.99 C:34 19.51 -8.30 C:29 18.91 -9.58 C:84 15.49 -12.44 C:73 15.81 -11.01 C:68 18.09 -8.48 45 1 -1 47 2 -2 3 31 1 4 38 1 5 38 1 6 39 1 7 39 1 40 8 -2 9 41 1 10 42 1 46 11 -2 12 32 2 13 33 2 14 34 2 15 36 2 43 16 -1 44 17 -1 48 18 -1 19 31 2 19 49 1 20 35 2 20 45 1 21 22 2 21 23 1 22 24 1 23 25 2 24 37 2 25 37 1 26 29 1 26 35 1 27 32 1 46 27 -1 28 40 1 28 50 1 29 33 1 30 34 1 50 30 -2 31 43 1 32 37 1 33 41 1 34 42 1 35 44 1 36 45 1 49 36 -2 38 41 1 39 42 1 40 49 1 43 48 1 44 48 1 45 47 1 46 47 1 46 50 1 47 50 1 48 49 1', 'C39H52O9', 664.428, 'C', 'ph08_812_4', 3620, '', '', '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
(14089, '', '3-O-benzoyl-17-benzoyloxy-13-(2,3-dimethylbutanoyloxy)ingenol', 'Terpenoids', 'Diterpenoids', 'Ingenanes', '[H][C@@:8]35[CH:7]=[C:6]([CH2:20]O)[C@@H:5](O)[C@:4]2(O)[C@@H:3](O[C:3001](=O)[c:3002]1[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]1)[C:2]([CH3:19])=[CH:1][C@@:10]2([C:9]3=O)[C@H:11]([CH3:18])[CH2:12][C@@:13]6(O[C:13001](=O)[CH:13002]([CH3:13005])[CH:13003]([CH3:13004])[CH3:13006])[C@@:15]([CH3:16])([CH2:17][C:17001](=O)[c:17002]4[cH:17003][cH:17004][cH:17005][cH:17006][cH:17007]4)[C@@:14]56[H]', '[H][C@@]35C=C(CO)[C@@H](O)[C@]2(O)[C@@H](OC(=O)c1ccccc1)C(C)=C[C@@]2(C3=O)[C@H](C)C[C@@]6(OC(=O)C(C)C(C)C)[C@@](C)(CC(=O)c4ccccc4)[C@@]56[H]', '[H][C@@:43]35[CH:126]=[C:140]([CH2:67]O)[C@@H:77](O)[C@:85]2(O)[C@@H:83](O[C:167](=O)[c:130]1[cH:130][cH:129][cH:133][cH:129][cH:130]1)[C:137]([CH3:16])=[CH:131][C@@:72]2([C:205]3=O)[C@H:38]([CH3:18])[CH2:36][C@@:69]6(O[C:176](=O)[CH:46]([CH3:13])[CH:30]([CH3:21])[CH3:19])[C@@:34]([CH3:19])([CH2:66][C:167](=O)[c:130]4[cH:130][cH:129][cH:133][cH:129][cH:130]4)[C@@:29]56[H]', '51 56 H 21.50 -13.37 H 21.88 -12.02 C:19 13.96 -13.30 C:13004 18.61 -4.92 C:13006 20.84 -5.87 C:18 16.30 -11.22 C:13005 17.50 -7.49 C:16 22.88 -10.47 O 24.42 -9.27 O 13.40 -13.88 O 21.13 -8.27 O 19.05 -11.69 O 19.74 -18.36 O 17.83 -17.18 O 17.12 -16.15 C:7 20.71 -14.73 C:1 16.48 -12.65 C:17005 23.21 -4.42 C:3005 10.26 -17.85 C:17004 22.02 -5.14 C:17006 24.42 -5.10 C:3004 10.07 -16.46 C:3006 11.56 -18.38 C:17003 22.02 -6.53 C:17007 24.42 -6.47 C:3003 11.18 -15.60 C:3007 12.67 -17.52 C:20 20.50 -17.17 C:17 22.02 -9.29 C:12 18.61 -10.87 O 14.88 -15.80 O 19.20 -9.72 C:2 15.38 -13.61 C:17001 23.21 -8.59 C:3001 13.59 -15.27 C:13001 19.74 -8.44 C:6 19.84 -15.88 C:9 19.05 -12.72 C:17002 23.21 -7.19 C:3002 12.49 -16.13 C:13003 19.45 -6.04 C:11 17.61 -11.85 C:13002 18.91 -7.32 C:5 18.40 -15.91 C:3 15.97 -14.96 C:8 20.35 -13.33 C:15 21.44 -10.64 C:14 20.84 -11.93 C:4 17.42 -14.78 C:10 17.75 -13.36 C:13 20.02 -10.83 46 1 -1 48 2 -2 3 33 1 4 41 1 5 41 1 42 6 -2 7 43 1 47 8 -2 9 34 2 10 35 2 11 36 2 12 38 2 13 28 1 44 14 -1 49 15 -1 16 37 2 16 46 1 17 33 2 17 50 1 18 20 2 18 21 1 19 22 2 19 23 1 20 24 1 21 25 2 22 26 1 23 27 2 24 39 2 25 39 1 26 40 2 27 40 1 28 37 1 29 34 1 47 29 -1 30 42 1 30 51 1 31 35 1 45 31 -1 32 36 1 51 32 -2 33 45 1 34 39 1 35 40 1 36 43 1 37 44 1 38 46 1 50 38 -2 41 43 1 42 50 1 44 49 1 45 49 1 46 48 1 47 48 1 47 51 1 48 51 1 49 50 1', '51 56 H 21.50 -13.37 H 21.88 -12.02 C 13.96 -13.30 C 18.61 -4.92 C 20.84 -5.87 C 16.30 -11.22 C 17.50 -7.49 C 22.88 -10.47 O 24.42 -9.27 O 13.40 -13.88 O 21.13 -8.27 O 19.05 -11.69 O 19.74 -18.36 O 17.83 -17.18 O 17.12 -16.15 C 20.71 -14.73 C 16.48 -12.65 C 23.21 -4.42 C 10.26 -17.85 C 22.02 -5.14 C 24.42 -5.10 C 10.07 -16.46 C 11.56 -18.38 C 22.02 -6.53 C 24.42 -6.47 C 11.18 -15.60 C 12.67 -17.52 C 20.50 -17.17 C 22.02 -9.29 C 18.61 -10.87 O 14.88 -15.80 O 19.20 -9.72 C 15.38 -13.61 C 23.21 -8.59 C 13.59 -15.27 C 19.74 -8.44 C 19.84 -15.88 C 19.05 -12.72 C 23.21 -7.19 C 12.49 -16.13 C 19.45 -6.04 C 17.61 -11.85 C 18.91 -7.32 C 18.40 -15.91 C 15.97 -14.96 C 20.35 -13.33 C 21.44 -10.64 C 20.84 -11.93 C 17.42 -14.78 C 17.75 -13.36 C 20.02 -10.83 46 1 -1 48 2 -2 3 33 1 4 41 1 5 41 1 42 6 -2 7 43 1 47 8 -2 9 34 2 10 35 2 11 36 2 12 38 2 13 28 1 44 14 -1 49 15 -1 16 37 2 16 46 1 17 33 2 17 50 1 18 20 2 18 21 1 19 22 2 19 23 1 20 24 1 21 25 2 22 26 1 23 27 2 24 39 2 25 39 1 26 40 2 27 40 1 28 37 1 29 34 1 47 29 -1 30 42 1 30 51 1 31 35 1 45 31 -1 32 36 1 51 32 -2 33 45 1 34 39 1 35 40 1 36 43 1 37 44 1 38 46 1 50 38 -2 41 43 1 42 50 1 44 49 1 45 49 1 46 48 1 47 48 1 47 51 1 48 51 1 49 50 1', '51 56 H 21.50 -13.37 H 21.88 -12.02 C:16 13.96 -13.30 C:21 18.61 -4.92 C:19 20.84 -5.87 C:18 16.30 -11.22 C:13 17.50 -7.49 C:19 22.88 -10.47 O 24.42 -9.27 O 13.40 -13.88 O 21.13 -8.27 O 19.05 -11.69 O 19.74 -18.36 O 17.83 -17.18 O 17.12 -16.15 C:126 20.71 -14.73 C:131 16.48 -12.65 C:133 23.21 -4.42 C:133 10.26 -17.85 C:129 22.02 -5.14 C:129 24.42 -5.10 C:129 10.07 -16.46 C:129 11.56 -18.38 C:130 22.02 -6.53 C:130 24.42 -6.47 C:130 11.18 -15.60 C:130 12.67 -17.52 C:67 20.50 -17.17 C:66 22.02 -9.29 C:36 18.61 -10.87 O 14.88 -15.80 O 19.20 -9.72 C:137 15.38 -13.61 C:167 23.21 -8.59 C:167 13.59 -15.27 C:176 19.74 -8.44 C:140 19.84 -15.88 C:205 19.05 -12.72 C:130 23.21 -7.19 C:130 12.49 -16.13 C:30 19.45 -6.04 C:38 17.61 -11.85 C:46 18.91 -7.32 C:77 18.40 -15.91 C:83 15.97 -14.96 C:43 20.35 -13.33 C:34 21.44 -10.64 C:29 20.84 -11.93 C:85 17.42 -14.78 C:72 17.75 -13.36 C:69 20.02 -10.83 46 1 -1 48 2 -2 3 33 1 4 41 1 5 41 1 42 6 -2 7 43 1 47 8 -2 9 34 2 10 35 2 11 36 2 12 38 2 13 28 1 44 14 -1 49 15 -1 16 37 2 16 46 1 17 33 2 17 50 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(14100, 'Pachyclavulide I', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11]([CH3:20])=[CH:12][C@@H:13](O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5]([CH2:16]O[CH3:16001])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(C)=C[C@@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(COC)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:40]13[C:138]([CH3:25])=[CH:123][C@@H:66](O)[C@H:76](O[C:171]([CH3:21])=O)[C@:43]1([CH3:15])[C@@H:75](O[C:170]([CH3:21])=O)[CH:132]=[CH:127][C:145]([CH2:72]O[CH3:59])=[CH:120][C@@H:80]2O[C:176](=O)[C@H:44]([CH3:7])[C@@:81]2(O)[C@H:69]3O[C:170]([CH3:22])=O', '39 41 H 15.65 -11.65 C:16001 23.09 -10.41 C:2002 15.32 -5.83 C:14002 12.62 -6.57 C:9002 13.37 -16.21 C:20 13.75 -14.24 C:18 16.02 -16.02 C:15 14.91 -9.21 O 17.36 -7.07 O 11.35 -8.64 O 15.65 -17.05 O 18.97 -16.96 O 11.41 -10.09 O 17.18 -12.44 C:4 18.54 -9.50 C:3 17.18 -9.09 C:12 12.62 -12.15 C:6 19.35 -12.15 C:16 20.68 -10.09 O 21.80 -10.96 O 15.23 -8.25 O 13.75 -8.71 O 15.23 -14.63 O 19.35 -14.51 C:2001 15.96 -7.07 C:14001 12.62 -7.96 C:9001 14.75 -15.96 C:11 13.75 -12.85 C:5 19.35 -10.67 C:19 18.54 -15.62 C:17 17.18 -15.22 C:13 12.62 -10.80 C:2 15.84 -9.50 C:7 18.54 -13.33 C:14 13.75 -10.09 C:9 15.71 -13.33 C:10 14.91 -12.15 C:1 14.91 -10.80 C:8 17.18 -13.84 37 1 -2 2 20 1 3 25 1 4 26 1 5 27 1 6 28 1 31 7 -2 38 8 -1 9 25 2 10 26 2 11 27 2 12 30 2 32 13 -1 39 14 -2 15 16 2 15 29 1 16 33 1 17 28 2 17 32 1 18 29 2 18 34 1 19 20 1 19 29 1 21 25 1 33 21 -1 22 26 1 35 22 -2 23 27 1 36 23 -1 24 30 1 34 24 -2 28 37 1 30 31 1 31 39 1 32 35 1 33 38 1 34 39 1 35 38 1 36 37 1 36 39 1 37 38 1', '39 41 H 15.65 -11.65 C 23.09 -10.41 C 15.32 -5.83 C 12.62 -6.57 C 13.37 -16.21 C 13.75 -14.24 C 16.02 -16.02 C 14.91 -9.21 O 17.36 -7.07 O 11.35 -8.64 O 15.65 -17.05 O 18.97 -16.96 O 11.41 -10.09 O 17.18 -12.44 C 18.54 -9.50 C 17.18 -9.09 C 12.62 -12.15 C 19.35 -12.15 C 20.68 -10.09 O 21.80 -10.96 O 15.23 -8.25 O 13.75 -8.71 O 15.23 -14.63 O 19.35 -14.51 C 15.96 -7.07 C 12.62 -7.96 C 14.75 -15.96 C 13.75 -12.85 C 19.35 -10.67 C 18.54 -15.62 C 17.18 -15.22 C 12.62 -10.80 C 15.84 -9.50 C 18.54 -13.33 C 13.75 -10.09 C 15.71 -13.33 C 14.91 -12.15 C 14.91 -10.80 C 17.18 -13.84 37 1 -2 2 20 1 3 25 1 4 26 1 5 27 1 6 28 1 31 7 -2 38 8 -1 9 25 2 10 26 2 11 27 2 12 30 2 32 13 -1 39 14 -2 15 16 2 15 29 1 16 33 1 17 28 2 17 32 1 18 29 2 18 34 1 19 20 1 19 29 1 21 25 1 33 21 -1 22 26 1 35 22 -2 23 27 1 36 23 -1 24 30 1 34 24 -2 28 37 1 30 31 1 31 39 1 32 35 1 33 38 1 34 39 1 35 38 1 36 37 1 36 39 1 37 38 1', '39 41 H 15.65 -11.65 C:59 23.09 -10.41 C:21 15.32 -5.83 C:21 12.62 -6.57 C:22 13.37 -16.21 C:25 13.75 -14.24 C:7 16.02 -16.02 C:15 14.91 -9.21 O 17.36 -7.07 O 11.35 -8.64 O 15.65 -17.05 O 18.97 -16.96 O 11.41 -10.09 O 17.18 -12.44 C:127 18.54 -9.50 C:132 17.18 -9.09 C:123 12.62 -12.15 C:120 19.35 -12.15 C:72 20.68 -10.09 O 21.80 -10.96 O 15.23 -8.25 O 13.75 -8.71 O 15.23 -14.63 O 19.35 -14.51 C:170 15.96 -7.07 C:171 12.62 -7.96 C:170 14.75 -15.96 C:138 13.75 -12.85 C:145 19.35 -10.67 C:176 18.54 -15.62 C:44 17.18 -15.22 C:66 12.62 -10.80 C:75 15.84 -9.50 C:80 18.54 -13.33 C:76 13.75 -10.09 C:69 15.71 -13.33 C:40 14.91 -12.15 C:43 14.91 -10.80 C:81 17.18 -13.84 37 1 -2 2 20 1 3 25 1 4 26 1 5 27 1 6 28 1 31 7 -2 38 8 -1 9 25 2 10 26 2 11 27 2 12 30 2 32 13 -1 39 14 -2 15 16 2 15 29 1 16 33 1 17 28 2 17 32 1 18 29 2 18 34 1 19 20 1 19 29 1 21 25 1 33 21 -1 22 26 1 35 22 -2 23 27 1 36 23 -1 24 30 1 34 24 -2 28 37 1 30 31 1 31 39 1 32 35 1 33 38 1 34 39 1 35 38 1 36 37 1 36 39 1 37 38 1', 'C27H36O11', 536.29, 'C', 'cpb07_1671_9', 3622, '', '', '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
(14101, 'Briaexcavatins M', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C@@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)[C@@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:38]14[C@@H:43]([CH3:9])[C@@H:67](O)[CH2:30][C@H:75](O[C:170]([CH3:21])=O)[C@:45]1([CH3:16])[C@@H:76](O[C:170]([CH3:21])=O)[CH:127]=[CH:137][C:142]([CH3:24])=[CH:117][C@@H:77]2O[C:170](=O)[C@@:63]3([CH3:10])O[C@:68]23[C@H:74]4O[C:170]([CH3:21])=O', '37 40 H 16.73 -11.69 C:2002 18.39 -5.93 C:14002 13.74 -6.59 C:9002 14.00 -15.85 C:16 21.93 -10.10 C:20 14.96 -14.17 C:18 17.24 -15.99 C:15 15.78 -9.36 O 19.60 -7.99 O 12.54 -8.70 O 14.00 -13.43 O 20.22 -16.91 O 12.62 -12.85 C:4 19.76 -9.44 C:3 18.39 -10.04 C:6 20.58 -12.11 C:13 13.82 -10.71 O 17.16 -7.99 O 14.96 -8.70 O 20.58 -14.48 O 16.12 -14.65 O 19.60 -14.48 C:2001 18.39 -7.34 C:14001 13.74 -7.99 C:9001 14.71 -14.65 C:5 20.58 -10.59 C:19 19.76 -15.59 C:11 14.96 -12.78 C:12 13.82 -12.11 C:2 17.16 -9.44 C:7 19.76 -13.35 C:14 14.96 -10.04 C:9 16.92 -13.30 C:17 18.39 -15.18 C:10 16.12 -12.11 C:1 16.12 -10.71 C:8 18.39 -13.78 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -1 34 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -1 14 15 2 14 26 1 15 30 1 16 26 2 16 31 1 17 29 1 17 32 1 18 23 1 30 18 -1 19 24 1 32 19 -2 20 27 1 31 20 -2 21 25 1 33 21 -1 22 34 1 37 22 -2 27 34 1 28 29 1 28 35 1 30 36 1 31 37 1 32 36 1 33 35 1 33 37 1 34 37 1 35 36 1', '37 40 H 16.73 -11.69 C 18.39 -5.93 C 13.74 -6.59 C 14.00 -15.85 C 21.93 -10.10 C 14.96 -14.17 C 17.24 -15.99 C 15.78 -9.36 O 19.60 -7.99 O 12.54 -8.70 O 14.00 -13.43 O 20.22 -16.91 O 12.62 -12.85 C 19.76 -9.44 C 18.39 -10.04 C 20.58 -12.11 C 13.82 -10.71 O 17.16 -7.99 O 14.96 -8.70 O 20.58 -14.48 O 16.12 -14.65 O 19.60 -14.48 C 18.39 -7.34 C 13.74 -7.99 C 14.71 -14.65 C 20.58 -10.59 C 19.76 -15.59 C 14.96 -12.78 C 13.82 -12.11 C 17.16 -9.44 C 19.76 -13.35 C 14.96 -10.04 C 16.92 -13.30 C 18.39 -15.18 C 16.12 -12.11 C 16.12 -10.71 C 18.39 -13.78 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -1 34 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -1 14 15 2 14 26 1 15 30 1 16 26 2 16 31 1 17 29 1 17 32 1 18 23 1 30 18 -1 19 24 1 32 19 -2 20 27 1 31 20 -2 21 25 1 33 21 -1 22 34 1 37 22 -2 27 34 1 28 29 1 28 35 1 30 36 1 31 37 1 32 36 1 33 35 1 33 37 1 34 37 1 35 36 1', '37 40 H 16.73 -11.69 C:21 18.39 -5.93 C:21 13.74 -6.59 C:21 14.00 -15.85 C:24 21.93 -10.10 C:9 14.96 -14.17 C:10 17.24 -15.99 C:16 15.78 -9.36 O 19.60 -7.99 O 12.54 -8.70 O 14.00 -13.43 O 20.22 -16.91 O 12.62 -12.85 C:137 19.76 -9.44 C:127 18.39 -10.04 C:117 20.58 -12.11 C:30 13.82 -10.71 O 17.16 -7.99 O 14.96 -8.70 O 20.58 -14.48 O 16.12 -14.65 O 19.60 -14.48 C:170 18.39 -7.34 C:170 13.74 -7.99 C:170 14.71 -14.65 C:142 20.58 -10.59 C:170 19.76 -15.59 C:43 14.96 -12.78 C:67 13.82 -12.11 C:76 17.16 -9.44 C:77 19.76 -13.35 C:75 14.96 -10.04 C:74 16.92 -13.30 C:63 18.39 -15.18 C:38 16.12 -12.11 C:45 16.12 -10.71 C:68 18.39 -13.78 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -1 34 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -1 14 15 2 14 26 1 15 30 1 16 26 2 16 31 1 17 29 1 17 32 1 18 23 1 30 18 -1 19 24 1 32 19 -2 20 27 1 31 20 -2 21 25 1 33 21 -1 22 34 1 37 22 -2 27 34 1 28 29 1 28 35 1 30 36 1 31 37 1 32 36 1 33 35 1 33 37 1 34 37 1 35 36 1', 'C26H34O10', 506.28, 'C', 'cpb08_930_1', 3623, '', '', '1', 1, NULL, NULL),
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(14112, 'Frajunolides H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][C@H:13](O[C:13001]([CH3:13002])=O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:42]13[C:145](=[CH2:115])[CH2:38][C@H:70](O[C:170]([CH3:21])=O)[C@H:73](O[C:170]([CH3:21])=O)[C@:49]1([CH3:15])[C@@H:76](O[C:170]([CH3:21])=O)[CH:130]=[CH:133][C:141](=[CH2:117])[C@H:64](Cl)[C@@H:81]2O[C:175](=O)[C@H:51]([CH3:7])[C@@:83]2(O)[C@H:77]3O[C:170]([CH3:21])=O', '41 43 H 17.89 -11.63 C:16 23.08 -10.03 C:20 16.13 -14.10 C:13002 11.38 -10.03 C:2002 19.53 -5.86 C:14002 15.01 -6.43 C:9002 15.24 -15.82 C:18 18.39 -15.90 C:15 17.13 -9.31 O 12.66 -12.09 O 20.72 -7.99 O 13.73 -8.50 O 17.37 -17.00 O 21.35 -16.82 O 19.53 -12.30 Cl 23.08 -12.58 C:4 20.90 -9.39 C:3 19.53 -10.03 C:12 15.01 -12.09 O 13.81 -9.91 O 18.31 -7.99 O 16.13 -8.62 O 17.27 -14.59 O 21.72 -14.40 C:13001 12.66 -10.68 C:2001 19.53 -7.29 C:14001 15.01 -7.86 C:9001 16.63 -15.82 C:5 21.72 -10.54 C:11 16.13 -12.73 C:19 20.90 -15.51 C:17 19.53 -15.11 C:6 21.72 -12.09 C:13 15.01 -10.68 C:2 18.31 -9.39 C:7 20.90 -13.24 C:14 16.13 -10.03 C:9 18.08 -13.24 C:10 17.27 -12.09 C:1 17.27 -10.68 C:8 19.53 -13.71 39 1 -2 2 29 2 3 30 2 4 25 1 5 26 1 6 27 1 7 28 1 32 8 -2 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 41 15 -2 33 16 -2 17 18 2 17 29 1 18 35 1 19 30 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -1 22 27 1 37 22 -2 23 28 1 38 23 -1 24 31 1 36 24 -2 29 33 1 30 39 1 31 32 1 32 41 1 33 36 1 34 37 1 35 40 1 36 41 1 37 40 1 38 39 1 38 41 1 39 40 1', '41 43 H 17.89 -11.63 C 23.08 -10.03 C 16.13 -14.10 C 11.38 -10.03 C 19.53 -5.86 C 15.01 -6.43 C 15.24 -15.82 C 18.39 -15.90 C 17.13 -9.31 O 12.66 -12.09 O 20.72 -7.99 O 13.73 -8.50 O 17.37 -17.00 O 21.35 -16.82 O 19.53 -12.30 Cl 23.08 -12.58 C 20.90 -9.39 C 19.53 -10.03 C 15.01 -12.09 O 13.81 -9.91 O 18.31 -7.99 O 16.13 -8.62 O 17.27 -14.59 O 21.72 -14.40 C 12.66 -10.68 C 19.53 -7.29 C 15.01 -7.86 C 16.63 -15.82 C 21.72 -10.54 C 16.13 -12.73 C 20.90 -15.51 C 19.53 -15.11 C 21.72 -12.09 C 15.01 -10.68 C 18.31 -9.39 C 20.90 -13.24 C 16.13 -10.03 C 18.08 -13.24 C 17.27 -12.09 C 17.27 -10.68 C 19.53 -13.71 39 1 -2 2 29 2 3 30 2 4 25 1 5 26 1 6 27 1 7 28 1 32 8 -2 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 41 15 -2 33 16 -2 17 18 2 17 29 1 18 35 1 19 30 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -1 22 27 1 37 22 -2 23 28 1 38 23 -1 24 31 1 36 24 -2 29 33 1 30 39 1 31 32 1 32 41 1 33 36 1 34 37 1 35 40 1 36 41 1 37 40 1 38 39 1 38 41 1 39 40 1', '41 43 H 17.89 -11.63 C:117 23.08 -10.03 C:115 16.13 -14.10 C:21 11.38 -10.03 C:21 19.53 -5.86 C:21 15.01 -6.43 C:21 15.24 -15.82 C:7 18.39 -15.90 C:15 17.13 -9.31 O 12.66 -12.09 O 20.72 -7.99 O 13.73 -8.50 O 17.37 -17.00 O 21.35 -16.82 O 19.53 -12.30 Cl 23.08 -12.58 C:133 20.90 -9.39 C:130 19.53 -10.03 C:38 15.01 -12.09 O 13.81 -9.91 O 18.31 -7.99 O 16.13 -8.62 O 17.27 -14.59 O 21.72 -14.40 C:170 12.66 -10.68 C:170 19.53 -7.29 C:170 15.01 -7.86 C:170 16.63 -15.82 C:141 21.72 -10.54 C:145 16.13 -12.73 C:175 20.90 -15.51 C:51 19.53 -15.11 C:64 21.72 -12.09 C:70 15.01 -10.68 C:76 18.31 -9.39 C:81 20.90 -13.24 C:73 16.13 -10.03 C:77 18.08 -13.24 C:42 17.27 -12.09 C:49 17.27 -10.68 C:83 19.53 -13.71 39 1 -2 2 29 2 3 30 2 4 25 1 5 26 1 6 27 1 7 28 1 32 8 -2 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 41 15 -2 33 16 -2 17 18 2 17 29 1 18 35 1 19 30 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -1 22 27 1 37 22 -2 23 28 1 38 23 -1 24 31 1 36 24 -2 29 33 1 30 39 1 31 32 1 32 41 1 33 36 1 34 37 1 35 40 1 36 41 1 37 40 1 38 39 1 38 41 1 39 40 1', 'C28H35ClO11', 582.754, 'C', 'np08_1551_4', 3625, '', '', '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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(14126, '18-Hydroxy-3-O-β-D-glucopyranosylhelioscopinolide A', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]12[CH2:11][C@:9]4([H])[C:8](=[CH:14][C:13]1=[C:15]([CH3:17])[C:16](=O)O2)[CH2:7][CH2:6][C@:5]5([H])[C@@:4]([CH3:19])([CH2:18]O)[C@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:2][CH2:1][C@@:10]45[CH3:20]', '[H][C@@]12C[C@]4([H])C(=CC1=C(C)C(=O)O2)CC[C@]5([H])[C@@](C)(CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]45C', '[H][C@@:76]12[CH2:27][C@:52]4([H])[C:153](=[CH:113][C:158]1=[C:115]([CH3:7])[C:176](=O)O2)[CH2:36][CH2:23][C@:46]5([H])[C@@:42]([CH3:12])([CH2:63]O)[C@H:78](O[C@@H:101]3O[C@H:76]([CH2:62]O)[C@@H:71](O)[C@H:77](O)[C@H:74]3O)[CH2:23][CH2:37][C@@:41]45[CH3:16]', '38 42 H 20.95 -10.18 H 19.70 -12.24 H 18.45 -14.39 C:17 24.61 -9.07 C:19 16.14 -15.16 C:20 18.45 -10.50 O 23.32 -6.30 O 13.50 -9.18 O 17.77 -16.60 O 9.84 -14.06 O 9.84 -11.25 O 12.25 -15.50 C:14 22.22 -11.25 C:106 12.25 -9.88 C:18 18.19 -15.27 C:7 20.95 -13.43 C:2 15.93 -11.96 C:6 19.70 -14.19 C:1 17.20 -11.27 C:11 19.70 -9.77 O 13.50 -11.96 O 14.71 -14.06 O 21.23 -7.69 C:15 23.24 -8.80 C:16 22.64 -7.52 C:8 20.95 -11.96 C:13 22.22 -9.77 C:103 11.05 -13.37 C:104 11.05 -11.96 C:102 12.25 -14.06 C:105 12.25 -11.27 C:3 15.93 -13.43 C:101 13.50 -13.37 C:12 20.95 -9.07 C:9 19.70 -11.25 C:5 18.45 -13.43 C:4 17.20 -14.19 C:10 18.45 -11.96 34 1 -2 35 2 -1 36 3 -1 4 24 1 37 5 -2 38 6 -2 7 25 2 8 14 1 9 15 1 28 10 -1 29 11 -2 30 12 -2 13 26 2 13 27 1 31 14 -1 37 15 -1 16 18 1 16 26 1 17 19 1 17 32 1 18 36 1 19 38 1 20 34 1 20 35 1 21 31 1 21 33 1 32 22 -2 33 22 -1 23 25 1 23 34 1 24 25 1 24 27 2 26 35 1 27 34 1 28 29 1 28 30 1 29 31 1 30 33 1 32 37 1 35 38 1 36 37 1 36 38 1', '38 42 H 20.95 -10.18 H 19.70 -12.24 H 18.45 -14.39 C 24.61 -9.07 C 16.14 -15.16 C 18.45 -10.50 O 23.32 -6.30 O 13.50 -9.18 O 17.77 -16.60 O 9.84 -14.06 O 9.84 -11.25 O 12.25 -15.50 C 22.22 -11.25 C 12.25 -9.88 C 18.19 -15.27 C 20.95 -13.43 C 15.93 -11.96 C 19.70 -14.19 C 17.20 -11.27 C 19.70 -9.77 O 13.50 -11.96 O 14.71 -14.06 O 21.23 -7.69 C 23.24 -8.80 C 22.64 -7.52 C 20.95 -11.96 C 22.22 -9.77 C 11.05 -13.37 C 11.05 -11.96 C 12.25 -14.06 C 12.25 -11.27 C 15.93 -13.43 C 13.50 -13.37 C 20.95 -9.07 C 19.70 -11.25 C 18.45 -13.43 C 17.20 -14.19 C 18.45 -11.96 34 1 -2 35 2 -1 36 3 -1 4 24 1 37 5 -2 38 6 -2 7 25 2 8 14 1 9 15 1 28 10 -1 29 11 -2 30 12 -2 13 26 2 13 27 1 31 14 -1 37 15 -1 16 18 1 16 26 1 17 19 1 17 32 1 18 36 1 19 38 1 20 34 1 20 35 1 21 31 1 21 33 1 32 22 -2 33 22 -1 23 25 1 23 34 1 24 25 1 24 27 2 26 35 1 27 34 1 28 29 1 28 30 1 29 31 1 30 33 1 32 37 1 35 38 1 36 37 1 36 38 1', '38 42 H 20.95 -10.18 H 19.70 -12.24 H 18.45 -14.39 C:7 24.61 -9.07 C:12 16.14 -15.16 C:16 18.45 -10.50 O 23.32 -6.30 O 13.50 -9.18 O 17.77 -16.60 O 9.84 -14.06 O 9.84 -11.25 O 12.25 -15.50 C:113 22.22 -11.25 C:62 12.25 -9.88 C:63 18.19 -15.27 C:36 20.95 -13.43 C:23 15.93 -11.96 C:23 19.70 -14.19 C:37 17.20 -11.27 C:27 19.70 -9.77 O 13.50 -11.96 O 14.71 -14.06 O 21.23 -7.69 C:115 23.24 -8.80 C:176 22.64 -7.52 C:153 20.95 -11.96 C:158 22.22 -9.77 C:77 11.05 -13.37 C:71 11.05 -11.96 C:74 12.25 -14.06 C:76 12.25 -11.27 C:78 15.93 -13.43 C:101 13.50 -13.37 C:76 20.95 -9.07 C:52 19.70 -11.25 C:46 18.45 -13.43 C:42 17.20 -14.19 C:41 18.45 -11.96 34 1 -2 35 2 -1 36 3 -1 4 24 1 37 5 -2 38 6 -2 7 25 2 8 14 1 9 15 1 28 10 -1 29 11 -2 30 12 -2 13 26 2 13 27 1 31 14 -1 37 15 -1 16 18 1 16 26 1 17 19 1 17 32 1 18 36 1 19 38 1 20 34 1 20 35 1 21 31 1 21 33 1 32 22 -2 33 22 -1 23 25 1 23 34 1 24 25 1 24 27 2 26 35 1 27 34 1 28 29 1 28 30 1 29 31 1 30 33 1 32 37 1 35 38 1 36 37 1 36 38 1', 'C26H38O9', 494.297, 'M', 'cpb07_1744_3', 3629, '', '', '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
(14127, '3-O-β-D-Glucopyranosylhelioscopinolide A', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]12[CH2:11][C@:9]4([H])[C:8](=[CH:14][C:13]1=[C:15]([CH3:17])[C:16](=O)O2)[CH2:7][CH2:6][C@:5]5([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:2][CH2:1][C@@:10]45[CH3:20]', '[H][C@@]12C[C@]4([H])C(=CC1=C(C)C(=O)O2)CC[C@]5([H])[C@@](C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]45C', '[H][C@@:76]12[CH2:27][C@:51]4([H])[C:153](=[CH:113][C:158]1=[C:115]([CH3:7])[C:176](=O)O2)[CH2:36][CH2:23][C@:55]5([H])[C@@:38]([CH3:16])([CH3:28])[C@H:84](O[C@@H:101]3O[C@H:76]([CH2:62]O)[C@@H:70](O)[C@H:77](O)[C@H:74]3O)[CH2:23][CH2:37][C@@:41]45[CH3:16]', '37 41 H 20.97 -10.72 H 19.73 -12.78 H 18.48 -14.93 C:17 24.62 -9.61 C:19 16.17 -15.70 C:18 18.22 -15.81 C:20 18.48 -11.04 O 23.34 -6.85 O 13.53 -9.72 O 9.88 -14.60 O 9.88 -11.79 O 12.29 -16.04 C:14 22.24 -11.79 C:106 12.29 -10.42 C:7 20.97 -13.97 C:2 15.96 -12.50 C:6 19.73 -14.73 C:1 17.23 -11.79 C:11 19.73 -10.31 O 13.53 -12.50 O 14.74 -14.60 O 21.25 -8.23 C:15 23.26 -9.34 C:16 22.66 -8.06 C:8 20.97 -12.50 C:13 22.24 -10.31 C:103 11.09 -13.91 C:104 11.09 -12.50 C:102 12.29 -14.60 C:105 12.29 -11.79 C:3 15.96 -13.97 C:101 13.53 -13.91 C:4 17.23 -14.73 C:12 20.97 -9.61 C:9 19.73 -11.79 C:5 18.48 -13.97 C:10 18.48 -12.50 34 1 -2 35 2 -1 36 3 -1 4 23 1 33 5 -2 33 6 -1 37 7 -2 8 24 2 9 14 1 27 10 -1 28 11 -2 29 12 -2 13 25 2 13 26 1 30 14 -1 15 17 1 15 25 1 16 18 1 16 31 1 17 36 1 18 37 1 19 34 1 19 35 1 20 30 1 20 32 1 31 21 -2 32 21 -1 22 24 1 22 34 1 23 24 1 23 26 2 25 35 1 26 34 1 27 28 1 27 29 1 28 30 1 29 32 1 31 33 1 33 36 1 35 37 1 36 37 1', '37 41 H 20.97 -10.72 H 19.73 -12.78 H 18.48 -14.93 C 24.62 -9.61 C 16.17 -15.70 C 18.22 -15.81 C 18.48 -11.04 O 23.34 -6.85 O 13.53 -9.72 O 9.88 -14.60 O 9.88 -11.79 O 12.29 -16.04 C 22.24 -11.79 C 12.29 -10.42 C 20.97 -13.97 C 15.96 -12.50 C 19.73 -14.73 C 17.23 -11.79 C 19.73 -10.31 O 13.53 -12.50 O 14.74 -14.60 O 21.25 -8.23 C 23.26 -9.34 C 22.66 -8.06 C 20.97 -12.50 C 22.24 -10.31 C 11.09 -13.91 C 11.09 -12.50 C 12.29 -14.60 C 12.29 -11.79 C 15.96 -13.97 C 13.53 -13.91 C 17.23 -14.73 C 20.97 -9.61 C 19.73 -11.79 C 18.48 -13.97 C 18.48 -12.50 34 1 -2 35 2 -1 36 3 -1 4 23 1 33 5 -2 33 6 -1 37 7 -2 8 24 2 9 14 1 27 10 -1 28 11 -2 29 12 -2 13 25 2 13 26 1 30 14 -1 15 17 1 15 25 1 16 18 1 16 31 1 17 36 1 18 37 1 19 34 1 19 35 1 20 30 1 20 32 1 31 21 -2 32 21 -1 22 24 1 22 34 1 23 24 1 23 26 2 25 35 1 26 34 1 27 28 1 27 29 1 28 30 1 29 32 1 31 33 1 33 36 1 35 37 1 36 37 1', '37 41 H 20.97 -10.72 H 19.73 -12.78 H 18.48 -14.93 C:7 24.62 -9.61 C:16 16.17 -15.70 C:28 18.22 -15.81 C:16 18.48 -11.04 O 23.34 -6.85 O 13.53 -9.72 O 9.88 -14.60 O 9.88 -11.79 O 12.29 -16.04 C:113 22.24 -11.79 C:62 12.29 -10.42 C:36 20.97 -13.97 C:23 15.96 -12.50 C:23 19.73 -14.73 C:37 17.23 -11.79 C:27 19.73 -10.31 O 13.53 -12.50 O 14.74 -14.60 O 21.25 -8.23 C:115 23.26 -9.34 C:176 22.66 -8.06 C:153 20.97 -12.50 C:158 22.24 -10.31 C:77 11.09 -13.91 C:70 11.09 -12.50 C:74 12.29 -14.60 C:76 12.29 -11.79 C:84 15.96 -13.97 C:101 13.53 -13.91 C:38 17.23 -14.73 C:76 20.97 -9.61 C:51 19.73 -11.79 C:55 18.48 -13.97 C:41 18.48 -12.50 34 1 -2 35 2 -1 36 3 -1 4 23 1 33 5 -2 33 6 -1 37 7 -2 8 24 2 9 14 1 27 10 -1 28 11 -2 29 12 -2 13 25 2 13 26 1 30 14 -1 15 17 1 15 25 1 16 18 1 16 31 1 17 36 1 18 37 1 19 34 1 19 35 1 20 30 1 20 32 1 31 21 -2 32 21 -1 22 24 1 22 34 1 23 24 1 23 26 2 25 35 1 26 34 1 27 28 1 27 29 1 28 30 1 29 32 1 31 33 1 33 36 1 35 37 1 36 37 1', 'C26H38O8', 478.297, 'M', 'cpb07_1744_4', 3629, '', '', '1', 1, NULL, NULL),
(14128, '3-O-β-D-Galactopyranosylhelioscopinolide A', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]12[CH2:11][C@:9]4([H])[C:8](=[CH:14][C:13]1=[C:15]([CH3:17])[C:16](=O)O2)[CH2:7][CH2:6][C@:5]5([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:2][CH2:1][C@@:10]45[CH3:20]', '[H][C@@]12C[C@]4([H])C(=CC1=C(C)C(=O)O2)CC[C@]5([H])[C@](C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]45C', '[H][C@@:76]12[CH2:27][C@:51]4([H])[C:153](=[CH:113][C:158]1=[C:115]([CH3:7])[C:176](=O)O2)[CH2:37][CH2:23][C@:55]5([H])[C@:38]([CH3:28])([CH3:16])[C@H:84](O[C@@H:98]3O[C@H:74]([CH2:62]O)[C@H:68](O)[C@H:72](O)[C@H:71]3O)[CH2:23][CH2:37][C@@:41]45[CH3:16]', '37 41 H 20.97 -10.72 H 19.73 -12.78 H 18.48 -14.93 C:17 24.62 -9.61 C:18 18.22 -15.81 C:19 16.17 -15.70 C:20 18.48 -11.04 O 23.34 -6.85 O 13.53 -9.72 O 9.88 -14.60 O 9.88 -11.79 O 12.29 -16.04 C:14 22.24 -11.79 C:106 12.29 -10.42 C:7 20.97 -13.97 C:2 15.96 -12.50 C:6 19.73 -14.73 C:1 17.23 -11.79 C:11 19.73 -10.31 O 13.53 -12.50 O 14.74 -14.60 O 21.25 -8.23 C:15 23.26 -9.34 C:16 22.66 -8.06 C:8 20.97 -12.50 C:13 22.24 -10.31 C:103 11.09 -13.91 C:104 11.09 -12.50 C:102 12.29 -14.60 C:105 12.29 -11.79 C:3 15.96 -13.97 C:101 13.53 -13.91 C:4 17.23 -14.73 C:12 20.97 -9.61 C:9 19.73 -11.79 C:5 18.48 -13.97 C:10 18.48 -12.50 34 1 -2 35 2 -1 36 3 -1 4 23 1 33 5 -1 33 6 -2 37 7 -2 8 24 2 9 14 1 27 10 -1 28 11 -1 29 12 -2 13 25 2 13 26 1 30 14 -1 15 17 1 15 25 1 16 18 1 16 31 1 17 36 1 18 37 1 19 34 1 19 35 1 20 30 1 20 32 1 31 21 -2 32 21 -1 22 24 1 22 34 1 23 24 1 23 26 2 25 35 1 26 34 1 27 28 1 27 29 1 28 30 1 29 32 1 31 33 1 33 36 1 35 37 1 36 37 1', '37 41 H 20.97 -10.72 H 19.73 -12.78 H 18.48 -14.93 C 24.62 -9.61 C 18.22 -15.81 C 16.17 -15.70 C 18.48 -11.04 O 23.34 -6.85 O 13.53 -9.72 O 9.88 -14.60 O 9.88 -11.79 O 12.29 -16.04 C 22.24 -11.79 C 12.29 -10.42 C 20.97 -13.97 C 15.96 -12.50 C 19.73 -14.73 C 17.23 -11.79 C 19.73 -10.31 O 13.53 -12.50 O 14.74 -14.60 O 21.25 -8.23 C 23.26 -9.34 C 22.66 -8.06 C 20.97 -12.50 C 22.24 -10.31 C 11.09 -13.91 C 11.09 -12.50 C 12.29 -14.60 C 12.29 -11.79 C 15.96 -13.97 C 13.53 -13.91 C 17.23 -14.73 C 20.97 -9.61 C 19.73 -11.79 C 18.48 -13.97 C 18.48 -12.50 34 1 -2 35 2 -1 36 3 -1 4 23 1 33 5 -1 33 6 -2 37 7 -2 8 24 2 9 14 1 27 10 -1 28 11 -1 29 12 -2 13 25 2 13 26 1 30 14 -1 15 17 1 15 25 1 16 18 1 16 31 1 17 36 1 18 37 1 19 34 1 19 35 1 20 30 1 20 32 1 31 21 -2 32 21 -1 22 24 1 22 34 1 23 24 1 23 26 2 25 35 1 26 34 1 27 28 1 27 29 1 28 30 1 29 32 1 31 33 1 33 36 1 35 37 1 36 37 1', '37 41 H 20.97 -10.72 H 19.73 -12.78 H 18.48 -14.93 C:7 24.62 -9.61 C:28 18.22 -15.81 C:16 16.17 -15.70 C:16 18.48 -11.04 O 23.34 -6.85 O 13.53 -9.72 O 9.88 -14.60 O 9.88 -11.79 O 12.29 -16.04 C:113 22.24 -11.79 C:62 12.29 -10.42 C:37 20.97 -13.97 C:23 15.96 -12.50 C:23 19.73 -14.73 C:37 17.23 -11.79 C:27 19.73 -10.31 O 13.53 -12.50 O 14.74 -14.60 O 21.25 -8.23 C:115 23.26 -9.34 C:176 22.66 -8.06 C:153 20.97 -12.50 C:158 22.24 -10.31 C:72 11.09 -13.91 C:68 11.09 -12.50 C:71 12.29 -14.60 C:74 12.29 -11.79 C:84 15.96 -13.97 C:98 13.53 -13.91 C:38 17.23 -14.73 C:76 20.97 -9.61 C:51 19.73 -11.79 C:55 18.48 -13.97 C:41 18.48 -12.50 34 1 -2 35 2 -1 36 3 -1 4 23 1 33 5 -1 33 6 -2 37 7 -2 8 24 2 9 14 1 27 10 -1 28 11 -1 29 12 -2 13 25 2 13 26 1 30 14 -1 15 17 1 15 25 1 16 18 1 16 31 1 17 36 1 18 37 1 19 34 1 19 35 1 20 30 1 20 32 1 31 21 -2 32 21 -1 22 24 1 22 34 1 23 24 1 23 26 2 25 35 1 26 34 1 27 28 1 27 29 1 28 30 1 29 32 1 31 33 1 33 36 1 35 37 1 36 37 1', 'C26H38O8', 478.297, 'M', 'cpb07_1744_5', 3629, '', '', '1', 1, NULL, NULL),
(14129, 'Hanagokenols A', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:6]24O[CH2:18][C@:4]3([CH3:19])[CH2:3][CH2:2][CH2:1][C@:10]([CH3:20])([c:9]1[cH:11][c:12](O)[c:13]([CH:15]([CH3:16])[CH3:17])[cH:14][c:8]1[C:7]2=O)[C@:5]34[H]', '[H][C@]24OC[C@]3(C)CCC[C@](C)(c1cc(O)c(C(C)C)cc1C2=O)[C@]34[H]', '[H][C@:77]24O[CH2:84][C@:41]3([CH3:19])[CH2:35][CH2:20][CH2:38][C@:39]([CH3:22])([c:155]1[cH:111][c:162](O)[c:135]([CH:28]([CH3:23])[CH3:23])[cH:127][c:124]1[C:196]2=O)[C@:57]34[H]', '25 28 H 17.63 -14.51 H 15.50 -14.05 C:16 20.30 -7.54 C:17 21.53 -9.63 C:19 12.91 -14.84 C:20 15.50 -10.35 O 19.11 -13.93 O 17.90 -7.54 C:11 16.72 -9.63 C:14 19.11 -11.05 C:2 13.10 -11.76 C:3 13.10 -13.17 C:1 14.25 -11.05 C:18 14.57 -15.29 O 16.41 -15.29 C:7 17.90 -13.17 C:12 17.90 -8.97 C:8 17.90 -11.76 C:13 19.11 -9.63 C:9 16.72 -11.05 C:15 20.30 -8.97 C:4 14.25 -13.86 C:6 16.72 -13.86 C:10 15.50 -11.76 C:5 15.50 -13.17 23 1 -1 25 2 -2 3 21 1 4 21 1 22 5 -1 24 6 -1 7 16 2 8 17 1 9 17 2 9 20 1 10 18 1 10 19 2 11 12 1 11 13 1 12 22 1 13 24 1 14 15 1 22 14 -2 15 23 1 16 18 1 16 23 1 17 19 1 18 20 2 19 21 1 20 24 1 22 25 1 23 25 1 24 25 1', '25 28 H 17.63 -14.51 H 15.50 -14.05 C 20.30 -7.54 C 21.53 -9.63 C 12.91 -14.84 C 15.50 -10.35 O 19.11 -13.93 O 17.90 -7.54 C 16.72 -9.63 C 19.11 -11.05 C 13.10 -11.76 C 13.10 -13.17 C 14.25 -11.05 C 14.57 -15.29 O 16.41 -15.29 C 17.90 -13.17 C 17.90 -8.97 C 17.90 -11.76 C 19.11 -9.63 C 16.72 -11.05 C 20.30 -8.97 C 14.25 -13.86 C 16.72 -13.86 C 15.50 -11.76 C 15.50 -13.17 23 1 -1 25 2 -2 3 21 1 4 21 1 22 5 -1 24 6 -1 7 16 2 8 17 1 9 17 2 9 20 1 10 18 1 10 19 2 11 12 1 11 13 1 12 22 1 13 24 1 14 15 1 22 14 -2 15 23 1 16 18 1 16 23 1 17 19 1 18 20 2 19 21 1 20 24 1 22 25 1 23 25 1 24 25 1', '25 28 H 17.63 -14.51 H 15.50 -14.05 C:23 20.30 -7.54 C:23 21.53 -9.63 C:19 12.91 -14.84 C:22 15.50 -10.35 O 19.11 -13.93 O 17.90 -7.54 C:111 16.72 -9.63 C:127 19.11 -11.05 C:20 13.10 -11.76 C:35 13.10 -13.17 C:38 14.25 -11.05 C:84 14.57 -15.29 O 16.41 -15.29 C:196 17.90 -13.17 C:162 17.90 -8.97 C:124 17.90 -11.76 C:135 19.11 -9.63 C:155 16.72 -11.05 C:28 20.30 -8.97 C:41 14.25 -13.86 C:77 16.72 -13.86 C:39 15.50 -11.76 C:57 15.50 -13.17 23 1 -1 25 2 -2 3 21 1 4 21 1 22 5 -1 24 6 -1 7 16 2 8 17 1 9 17 2 9 20 1 10 18 1 10 19 2 11 12 1 11 13 1 12 22 1 13 24 1 14 15 1 22 14 -2 15 23 1 16 18 1 16 23 1 17 19 1 18 20 2 19 21 1 20 24 1 22 25 1 23 25 1 24 25 1', 'C20H26O3', 314.228, 'P', 'cpb08_89_1', 3630, '', '', '1', 1, NULL, NULL),
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