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
(11850, 'Roseotetrol', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][C@@H:2](O)[C@@H:3](O)[C@:4]([CH3:18])(O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15]', '[H][C@]12C[C@@H](O)[C@@H](O)[C@](C)(O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)(O)C=C', '[H][C@:46]12[CH2:25][C@@H:71](O)[C@@H:65](O)[C@:70]([CH3:19])(O)[C@:36]1([CH3:19])[CH2:37][CH2:28][C@@H:36]([CH3:16])[C@:39]2([CH3:17])[CH2:32][CH2:35][C:73]([CH3:28])(O)[CH:145]=[CH2:112]', '25 26 H 16.15 -11.06 C:15 17.36 -5.74 C:17 19.83 -11.38 C:16 14.92 -7.17 C:18 15.61 -15.45 C:20 18.43 -10.43 C:19 16.15 -14.95 O 12.47 -11.38 O 12.47 -14.14 O 14.92 -8.54 O 14.21 -15.45 C:14 17.36 -7.17 C:7 18.61 -13.48 C:12 16.15 -9.23 C:6 17.36 -14.23 C:11 17.36 -9.94 C:1 14.92 -11.38 C:8 18.61 -12.08 C:2 13.70 -12.08 C:3 13.70 -13.48 C:13 16.15 -7.85 C:10 16.15 -12.08 C:4 14.92 -14.23 C:9 17.36 -11.38 C:5 16.15 -13.48 22 1 -1 2 12 2 18 3 -2 4 21 1 23 5 -2 24 6 -2 25 7 -2 19 8 -2 20 9 -2 10 21 1 23 11 -1 12 21 1 13 15 1 13 18 1 14 16 1 14 21 1 15 25 1 16 24 1 17 19 1 17 22 1 18 24 1 19 20 1 20 23 1 22 24 1 22 25 1 23 25 1', '25 26 H 16.15 -11.06 C 17.36 -5.74 C 19.83 -11.38 C 14.92 -7.17 C 15.61 -15.45 C 18.43 -10.43 C 16.15 -14.95 O 12.47 -11.38 O 12.47 -14.14 O 14.92 -8.54 O 14.21 -15.45 C 17.36 -7.17 C 18.61 -13.48 C 16.15 -9.23 C 17.36 -14.23 C 17.36 -9.94 C 14.92 -11.38 C 18.61 -12.08 C 13.70 -12.08 C 13.70 -13.48 C 16.15 -7.85 C 16.15 -12.08 C 14.92 -14.23 C 17.36 -11.38 C 16.15 -13.48 22 1 -1 2 12 2 18 3 -2 4 21 1 23 5 -2 24 6 -2 25 7 -2 19 8 -2 20 9 -2 10 21 1 23 11 -1 12 21 1 13 15 1 13 18 1 14 16 1 14 21 1 15 25 1 16 24 1 17 19 1 17 22 1 18 24 1 19 20 1 20 23 1 22 24 1 22 25 1 23 25 1', '25 26 H 16.15 -11.06 C:112 17.36 -5.74 C:16 19.83 -11.38 C:28 14.92 -7.17 C:19 15.61 -15.45 C:17 18.43 -10.43 C:19 16.15 -14.95 O 12.47 -11.38 O 12.47 -14.14 O 14.92 -8.54 O 14.21 -15.45 C:145 17.36 -7.17 C:28 18.61 -13.48 C:35 16.15 -9.23 C:37 17.36 -14.23 C:32 17.36 -9.94 C:25 14.92 -11.38 C:36 18.61 -12.08 C:71 13.70 -12.08 C:65 13.70 -13.48 C:73 16.15 -7.85 C:46 16.15 -12.08 C:70 14.92 -14.23 C:39 17.36 -11.38 C:36 16.15 -13.48 22 1 -1 2 12 2 18 3 -2 4 21 1 23 5 -2 24 6 -2 25 7 -2 19 8 -2 20 9 -2 10 21 1 23 11 -1 12 21 1 13 15 1 13 18 1 14 16 1 14 21 1 15 25 1 16 24 1 17 19 1 17 22 1 18 24 1 19 20 1 20 23 1 22 24 1 22 25 1 23 25 1', 'C20H36O4', 340.22, 'C', 'ph37_501_5', 3053, '', '', '1', 1, NULL, NULL),
(11851, 'Roseotetrol acetate', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O)[C@:4]([CH3:18])(O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])(O)[CH:14]=[CH2:15]', '[H][C@]12C[C@@H](OC(C)=O)[C@@H](O)[C@](C)(O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)(O)C=C', '[H][C@:47]12[CH2:21][C@@H:74](O[C:171]([CH3:21])=O)[C@@H:62](O)[C@:69]([CH3:19])(O)[C@:37]1([CH3:19])[CH2:37][CH2:29][C@@H:36]([CH3:16])[C@:39]2([CH3:17])[CH2:32][CH2:35][C:73]([CH3:28])(O)[CH:144]=[CH2:112]', '28 29 H 17.32 -11.06 C:15 18.53 -5.74 C:2002 11.21 -11.38 C:17 21.00 -11.38 C:16 16.09 -7.17 C:18 16.78 -15.44 C:20 19.60 -10.43 C:19 17.32 -14.94 O 12.41 -13.48 O 13.64 -14.14 O 16.09 -8.54 O 15.38 -15.44 C:14 18.53 -7.17 C:7 19.78 -13.48 C:12 17.32 -9.23 C:11 18.53 -9.94 C:6 18.53 -14.23 C:1 16.09 -11.38 O 13.64 -11.38 C:2001 12.41 -12.08 C:8 19.78 -12.08 C:2 14.87 -12.08 C:3 14.87 -13.48 C:13 17.32 -7.85 C:10 17.32 -12.08 C:4 16.09 -14.23 C:9 18.53 -11.38 C:5 17.32 -13.48 25 1 -1 2 13 2 3 20 1 21 4 -2 5 24 1 26 6 -2 27 7 -2 28 8 -2 9 20 2 23 10 -2 11 24 1 26 12 -1 13 24 1 14 17 1 14 21 1 15 16 1 15 24 1 16 27 1 17 28 1 18 22 1 18 25 1 19 20 1 22 19 -2 21 27 1 22 23 1 23 26 1 25 27 1 25 28 1 26 28 1', '28 29 H 17.32 -11.06 C 18.53 -5.74 C 11.21 -11.38 C 21.00 -11.38 C 16.09 -7.17 C 16.78 -15.44 C 19.60 -10.43 C 17.32 -14.94 O 12.41 -13.48 O 13.64 -14.14 O 16.09 -8.54 O 15.38 -15.44 C 18.53 -7.17 C 19.78 -13.48 C 17.32 -9.23 C 18.53 -9.94 C 18.53 -14.23 C 16.09 -11.38 O 13.64 -11.38 C 12.41 -12.08 C 19.78 -12.08 C 14.87 -12.08 C 14.87 -13.48 C 17.32 -7.85 C 17.32 -12.08 C 16.09 -14.23 C 18.53 -11.38 C 17.32 -13.48 25 1 -1 2 13 2 3 20 1 21 4 -2 5 24 1 26 6 -2 27 7 -2 28 8 -2 9 20 2 23 10 -2 11 24 1 26 12 -1 13 24 1 14 17 1 14 21 1 15 16 1 15 24 1 16 27 1 17 28 1 18 22 1 18 25 1 19 20 1 22 19 -2 21 27 1 22 23 1 23 26 1 25 27 1 25 28 1 26 28 1', '28 29 H 17.32 -11.06 C:112 18.53 -5.74 C:21 11.21 -11.38 C:16 21.00 -11.38 C:28 16.09 -7.17 C:19 16.78 -15.44 C:17 19.60 -10.43 C:19 17.32 -14.94 O 12.41 -13.48 O 13.64 -14.14 O 16.09 -8.54 O 15.38 -15.44 C:144 18.53 -7.17 C:29 19.78 -13.48 C:35 17.32 -9.23 C:32 18.53 -9.94 C:37 18.53 -14.23 C:21 16.09 -11.38 O 13.64 -11.38 C:171 12.41 -12.08 C:36 19.78 -12.08 C:74 14.87 -12.08 C:62 14.87 -13.48 C:73 17.32 -7.85 C:47 17.32 -12.08 C:69 16.09 -14.23 C:39 18.53 -11.38 C:37 17.32 -13.48 25 1 -1 2 13 2 3 20 1 21 4 -2 5 24 1 26 6 -2 27 7 -2 28 8 -2 9 20 2 23 10 -2 11 24 1 26 12 -1 13 24 1 14 17 1 14 21 1 15 16 1 15 24 1 16 27 1 17 28 1 18 22 1 18 25 1 19 20 1 22 19 -2 21 27 1 22 23 1 23 26 1 25 27 1 25 28 1 26 28 1', 'C22H38O5', 382.24, 'C', 'ph37_501_6', 3053, '', '', '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
(11864, 'Teucrasiatin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C:6](=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]35[CH2:11][C@@H:12]([c:13]4[cH:14][cH:15]o[cH:16]4)O[C@@H:20]5O', '[H][C@]23CCC[C@]1(CO1)[C@]2(COC(C)=O)C(=O)C[C@@H](C)[C@]35C[C@@H](c4ccoc4)O[C@@H]5O', '[H][C@:54]23[CH2:24][CH2:25][CH2:33][C@:61]1([CH2:50]O1)[C@:55]2([CH2:65]O[C:171]([CH3:21])=O)[C:207](=O)[CH2:46][C@@H:44]([CH3:18])[C@:54]35[CH2:44][C@@H:71]([c:125]4[cH:109][cH:144]o[cH:139]4)O[C@@H:100]5O', '30 34 H 15.56 -9.38 C:19002 14.33 -16.91 C:17 19.19 -9.68 O 13.11 -14.82 O 16.75 -13.91 O 19.03 -8.07 C:15 14.41 -4.28 C:14 15.56 -5.11 C:16 13.76 -6.43 C:2 13.11 -10.38 C:1 14.33 -9.68 C:3 13.11 -11.79 C:19 15.56 -13.40 C:18 14.33 -13.91 C:7 18.00 -11.79 C:11 15.63 -8.88 O 15.56 -14.82 O 13.11 -13.26 O 17.41 -7.52 O 13.30 -5.11 C:19001 14.33 -15.52 C:6 16.75 -12.51 C:13 15.16 -6.43 C:8 18.00 -10.38 C:20 17.88 -8.88 C:12 16.03 -7.52 C:10 15.56 -10.38 C:4 14.33 -12.51 C:5 15.56 -11.79 C:9 16.75 -9.68 27 1 -1 2 21 1 24 3 -2 4 21 2 5 22 2 25 6 -2 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 11 1 10 12 1 11 27 1 12 28 1 13 17 1 29 13 -2 14 18 1 28 14 -1 15 22 1 15 24 1 16 26 1 30 16 -1 17 21 1 28 18 -2 19 25 1 19 26 1 22 29 1 26 23 -1 24 30 1 30 25 -2 27 29 1 27 30 1 28 29 1', '30 34 H 15.56 -9.38 C 14.33 -16.91 C 19.19 -9.68 O 13.11 -14.82 O 16.75 -13.91 O 19.03 -8.07 C 14.41 -4.28 C 15.56 -5.11 C 13.76 -6.43 C 13.11 -10.38 C 14.33 -9.68 C 13.11 -11.79 C 15.56 -13.40 C 14.33 -13.91 C 18.00 -11.79 C 15.63 -8.88 O 15.56 -14.82 O 13.11 -13.26 O 17.41 -7.52 O 13.30 -5.11 C 14.33 -15.52 C 16.75 -12.51 C 15.16 -6.43 C 18.00 -10.38 C 17.88 -8.88 C 16.03 -7.52 C 15.56 -10.38 C 14.33 -12.51 C 15.56 -11.79 C 16.75 -9.68 27 1 -1 2 21 1 24 3 -2 4 21 2 5 22 2 25 6 -2 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 11 1 10 12 1 11 27 1 12 28 1 13 17 1 29 13 -2 14 18 1 28 14 -1 15 22 1 15 24 1 16 26 1 30 16 -1 17 21 1 28 18 -2 19 25 1 19 26 1 22 29 1 26 23 -1 24 30 1 30 25 -2 27 29 1 27 30 1 28 29 1', '30 34 H 15.56 -9.38 C:21 14.33 -16.91 C:18 19.19 -9.68 O 13.11 -14.82 O 16.75 -13.91 O 19.03 -8.07 C:144 14.41 -4.28 C:109 15.56 -5.11 C:139 13.76 -6.43 C:25 13.11 -10.38 C:24 14.33 -9.68 C:33 13.11 -11.79 C:65 15.56 -13.40 C:50 14.33 -13.91 C:46 18.00 -11.79 C:44 15.63 -8.88 O 15.56 -14.82 O 13.11 -13.26 O 17.41 -7.52 O 13.30 -5.11 C:171 14.33 -15.52 C:207 16.75 -12.51 C:125 15.16 -6.43 C:44 18.00 -10.38 C:100 17.88 -8.88 C:71 16.03 -7.52 C:54 15.56 -10.38 C:61 14.33 -12.51 C:55 15.56 -11.79 C:54 16.75 -9.68 27 1 -1 2 21 1 24 3 -2 4 21 2 5 22 2 25 6 -2 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 11 1 10 12 1 11 27 1 12 28 1 13 17 1 29 13 -2 14 18 1 28 14 -1 15 22 1 15 24 1 16 26 1 30 16 -1 17 21 1 28 18 -2 19 25 1 19 26 1 22 29 1 26 23 -1 24 30 1 30 25 -2 27 29 1 27 30 1 28 29 1', 'C22H28O7', 404.239, 'C', 'ph43_435_1', 3057, '', '', '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
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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
(11892, '(5R*,7S*,8S*,9S*,10R*)-10-b-D-Glucopyranosyl-7a-acetoxycleroda-3,13-dien-15,16-olide-18-oate', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:5]2([CH3:19])[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13]4=[CH:14][CH2:15]O[C:16]4=O', '[H][C@]23CCC=C(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)C[C@H](OC(C)=O)[C@@H](C)[C@]3(C)CCC4=CCOC4=O', '[H][C@:46]23[CH2:18][CH2:27][CH:141]=[C:140]([C:165](=O)O[C@@H:94]1O[C@H:76]([CH2:62]O)[C@@H:70](O)[C@H:77](O)[C@H:74]1O)[C@:40]2([CH3:22])[CH2:41][C@H:73](O[C:171]([CH3:21])=O)[C@@H:41]([CH3:11])[C@:38]3([CH3:19])[CH2:36][CH2:19][C:134]4=[CH:144][CH2:70]O[C:174]4=O', '40 43 H 17.31 -9.94 C:7002 22.22 -15.22 C:17 21.01 -10.24 C:19 17.31 -13.80 C:20 19.59 -9.31 O 19.80 -15.23 O 14.89 -6.27 O 17.31 -15.22 O 13.67 -10.32 O 10.02 -15.23 O 10.02 -12.42 O 12.46 -16.62 C:3 14.89 -12.42 C:14 18.45 -5.84 C:2 14.89 -10.96 C:106 12.46 -11.02 C:15 18.00 -4.51 C:12 17.31 -8.09 C:1 16.11 -10.24 C:11 18.53 -8.83 C:6 18.53 -13.12 O 16.62 -4.51 O 21.01 -13.12 O 14.89 -15.23 O 13.67 -13.12 C:7001 21.01 -14.52 C:16 16.19 -5.84 C:18 16.11 -14.52 C:13 17.31 -6.67 C:4 16.11 -13.12 C:8 19.80 -10.96 C:103 11.24 -14.52 C:104 11.24 -13.12 C:102 12.46 -15.22 C:105 12.46 -12.42 C:7 19.80 -12.42 C:101 13.67 -14.52 C:5 17.31 -12.42 C:10 17.31 -10.96 C:9 18.53 -10.24 39 1 -1 2 26 1 31 3 -2 38 4 -2 40 5 -2 6 26 2 7 27 2 8 28 2 9 16 1 32 10 -1 33 11 -2 34 12 -2 13 15 1 13 30 2 14 17 1 14 29 2 15 19 1 35 16 -1 17 22 1 18 20 1 18 29 1 19 39 1 20 40 1 21 36 1 21 38 1 22 27 1 23 26 1 36 23 -1 24 28 1 37 24 -1 25 35 1 25 37 1 27 29 1 28 30 1 30 38 1 31 36 1 31 40 1 32 33 1 32 34 1 33 35 1 34 37 1 38 39 1 39 40 1', '40 43 H 17.31 -9.94 C 22.22 -15.22 C 21.01 -10.24 C 17.31 -13.80 C 19.59 -9.31 O 19.80 -15.23 O 14.89 -6.27 O 17.31 -15.22 O 13.67 -10.32 O 10.02 -15.23 O 10.02 -12.42 O 12.46 -16.62 C 14.89 -12.42 C 18.45 -5.84 C 14.89 -10.96 C 12.46 -11.02 C 18.00 -4.51 C 17.31 -8.09 C 16.11 -10.24 C 18.53 -8.83 C 18.53 -13.12 O 16.62 -4.51 O 21.01 -13.12 O 14.89 -15.23 O 13.67 -13.12 C 21.01 -14.52 C 16.19 -5.84 C 16.11 -14.52 C 17.31 -6.67 C 16.11 -13.12 C 19.80 -10.96 C 11.24 -14.52 C 11.24 -13.12 C 12.46 -15.22 C 12.46 -12.42 C 19.80 -12.42 C 13.67 -14.52 C 17.31 -12.42 C 17.31 -10.96 C 18.53 -10.24 39 1 -1 2 26 1 31 3 -2 38 4 -2 40 5 -2 6 26 2 7 27 2 8 28 2 9 16 1 32 10 -1 33 11 -2 34 12 -2 13 15 1 13 30 2 14 17 1 14 29 2 15 19 1 35 16 -1 17 22 1 18 20 1 18 29 1 19 39 1 20 40 1 21 36 1 21 38 1 22 27 1 23 26 1 36 23 -1 24 28 1 37 24 -1 25 35 1 25 37 1 27 29 1 28 30 1 30 38 1 31 36 1 31 40 1 32 33 1 32 34 1 33 35 1 34 37 1 38 39 1 39 40 1', '40 43 H 17.31 -9.94 C:21 22.22 -15.22 C:11 21.01 -10.24 C:22 17.31 -13.80 C:19 19.59 -9.31 O 19.80 -15.23 O 14.89 -6.27 O 17.31 -15.22 O 13.67 -10.32 O 10.02 -15.23 O 10.02 -12.42 O 12.46 -16.62 C:141 14.89 -12.42 C:144 18.45 -5.84 C:27 14.89 -10.96 C:62 12.46 -11.02 C:70 18.00 -4.51 C:19 17.31 -8.09 C:18 16.11 -10.24 C:36 18.53 -8.83 C:41 18.53 -13.12 O 16.62 -4.51 O 21.01 -13.12 O 14.89 -15.23 O 13.67 -13.12 C:171 21.01 -14.52 C:174 16.19 -5.84 C:165 16.11 -14.52 C:134 17.31 -6.67 C:140 16.11 -13.12 C:41 19.80 -10.96 C:77 11.24 -14.52 C:70 11.24 -13.12 C:74 12.46 -15.22 C:76 12.46 -12.42 C:73 19.80 -12.42 C:94 13.67 -14.52 C:40 17.31 -12.42 C:46 17.31 -10.96 C:38 18.53 -10.24 39 1 -1 2 26 1 31 3 -2 38 4 -2 40 5 -2 6 26 2 7 27 2 8 28 2 9 16 1 32 10 -1 33 11 -2 34 12 -2 13 15 1 13 30 2 14 17 1 14 29 2 15 19 1 35 16 -1 17 22 1 18 20 1 18 29 1 19 39 1 20 40 1 21 36 1 21 38 1 22 27 1 23 26 1 36 23 -1 24 28 1 37 24 -1 25 35 1 25 37 1 27 29 1 28 30 1 30 38 1 31 36 1 31 40 1 32 33 1 32 34 1 33 35 1 34 37 1 38 39 1 39 40 1', 'C28H40O11', 552.301, 'C', 'ph50_835_1b', 3069, '', '', '1', 1, NULL, NULL),
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(11906, 'Teulolin b', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][C@@H:3](O)[C:4](=[CH2:18])[C@:5]1([CH2:19]O)[C@H:6](O)[C@H:7](O)[C@@H:8]([CH3:17])[C@:9]24[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:20]4=O', '[H][C@]12CC[C@@H](O)C(=C)[C@]1(CO)[C@H](O)[C@H](O)[C@@H](C)[C@]24C[C@@H](c3ccoc3)OC4=O', '[H][C@:46]12[CH2:34][CH2:22][C@@H:79](O)[C:154](=[CH2:104])[C@:50]1([CH2:71]O)[C@H:73](O)[C@H:71](O)[C@@H:37]([CH3:12])[C@:54]24[CH2:45][C@@H:73]([c:125]3[cH:108][cH:144]o[cH:140]3)O[C:172]4=O', '28 31 H 16.11 -10.43 C:18 14.88 -14.99 C:17 19.80 -10.73 O 19.51 -10.29 O 16.11 -15.90 O 12.45 -13.56 O 19.80 -13.56 O 17.33 -14.99 C:15 14.96 -5.26 C:14 16.11 -6.11 C:16 14.30 -7.47 C:19 16.11 -14.50 C:2 13.66 -11.43 C:1 14.88 -10.73 C:11 16.18 -9.93 O 17.99 -8.56 O 13.84 -6.11 C:4 14.88 -13.56 C:20 18.46 -9.93 C:13 15.70 -7.47 C:3 13.66 -12.86 C:8 18.58 -11.43 C:12 16.58 -8.56 C:7 18.58 -12.86 C:6 17.33 -13.56 C:10 16.11 -11.43 C:5 16.11 -12.86 C:9 17.33 -10.73 26 1 -1 2 18 2 22 3 -2 4 19 2 5 12 1 21 6 -2 24 7 -1 25 8 -1 9 10 2 9 17 1 10 20 1 11 17 1 11 20 2 27 12 -2 13 14 1 13 21 1 14 26 1 15 23 1 28 15 -1 16 19 1 16 23 1 18 21 1 18 27 1 28 19 -2 23 20 -1 22 24 1 22 28 1 24 25 1 25 27 1 26 27 1 26 28 1', '28 31 H 16.11 -10.43 C 14.88 -14.99 C 19.80 -10.73 O 19.51 -10.29 O 16.11 -15.90 O 12.45 -13.56 O 19.80 -13.56 O 17.33 -14.99 C 14.96 -5.26 C 16.11 -6.11 C 14.30 -7.47 C 16.11 -14.50 C 13.66 -11.43 C 14.88 -10.73 C 16.18 -9.93 O 17.99 -8.56 O 13.84 -6.11 C 14.88 -13.56 C 18.46 -9.93 C 15.70 -7.47 C 13.66 -12.86 C 18.58 -11.43 C 16.58 -8.56 C 18.58 -12.86 C 17.33 -13.56 C 16.11 -11.43 C 16.11 -12.86 C 17.33 -10.73 26 1 -1 2 18 2 22 3 -2 4 19 2 5 12 1 21 6 -2 24 7 -1 25 8 -1 9 10 2 9 17 1 10 20 1 11 17 1 11 20 2 27 12 -2 13 14 1 13 21 1 14 26 1 15 23 1 28 15 -1 16 19 1 16 23 1 18 21 1 18 27 1 28 19 -2 23 20 -1 22 24 1 22 28 1 24 25 1 25 27 1 26 27 1 26 28 1', '28 31 H 16.11 -10.43 C:104 14.88 -14.99 C:12 19.80 -10.73 O 19.51 -10.29 O 16.11 -15.90 O 12.45 -13.56 O 19.80 -13.56 O 17.33 -14.99 C:144 14.96 -5.26 C:108 16.11 -6.11 C:140 14.30 -7.47 C:71 16.11 -14.50 C:22 13.66 -11.43 C:34 14.88 -10.73 C:45 16.18 -9.93 O 17.99 -8.56 O 13.84 -6.11 C:154 14.88 -13.56 C:172 18.46 -9.93 C:125 15.70 -7.47 C:79 13.66 -12.86 C:37 18.58 -11.43 C:73 16.58 -8.56 C:71 18.58 -12.86 C:73 17.33 -13.56 C:46 16.11 -11.43 C:50 16.11 -12.86 C:54 17.33 -10.73 26 1 -1 2 18 2 22 3 -2 4 19 2 5 12 1 21 6 -2 24 7 -1 25 8 -1 9 10 2 9 17 1 10 20 1 11 17 1 11 20 2 27 12 -2 13 14 1 13 21 1 14 26 1 15 23 1 28 15 -1 16 19 1 16 23 1 18 21 1 18 27 1 28 19 -2 23 20 -1 22 24 1 22 28 1 24 25 1 25 27 1 26 27 1 26 28 1', 'C20H26O7', 378.218, 'C', 'ph51_921_2', 3072, '', '', '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
(11908, '', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Clerodanes', '[H][C@:10]12[CH2:1][C@H:2]([C:3]([CH3:3001])=O)[C@:4]([CH3:18])(O)[C@:5]1([CH3:19])[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH3:15001]', '[H][C@]12C[C@H](C(C)=O)[C@](C)(O)[C@]1(C)C[C@@H](OC(C)=O)[C@@H](C)[C@]2(C)CCC(C)=CC(=O)OC', '[H][C@:47]12[CH2:25][C@H:56]([C:213]([CH3:32])=O)[C@:83]([CH3:22])(O)[C@:48]1([CH3:18])[CH2:34][C@@H:76](O[C:171]([CH3:21])=O)[C@@H:39]([CH3:11])[C@:38]2([CH3:19])[CH2:39][CH2:35][C:161]([CH3:19])=[CH:115][C:168](=O)O[CH3:51]', '31 32 H 15.85 -11.66 C:15001 15.85 -4.28 C:7002 20.69 -16.85 C:3001 11.53 -14.61 C:16 14.48 -7.71 C:17 19.48 -11.96 C:18 14.72 -15.89 C:20 18.28 -11.03 C:19 15.85 -15.52 O 18.28 -16.86 O 11.53 -12.17 O 18.28 -5.63 O 13.41 -15.41 C:14 17.04 -7.69 C:12 15.85 -9.82 C:11 17.04 -10.53 C:1 14.48 -12.25 C:6 17.04 -14.81 O 15.85 -5.65 O 19.48 -14.78 C:7001 19.48 -16.18 C:3 12.24 -13.40 C:13 15.85 -8.42 C:15 17.04 -6.32 C:8 18.28 -12.68 C:7 18.28 -14.09 C:2 13.67 -13.40 C:4 14.48 -14.51 C:10 15.82 -12.68 C:9 17.04 -11.96 C:5 15.85 -14.09 29 1 -1 2 19 1 3 21 1 4 22 1 5 23 1 25 6 -2 28 7 -2 30 8 -2 31 9 -2 10 21 2 11 22 2 12 24 2 28 13 -1 14 23 2 14 24 1 15 16 1 15 23 1 16 30 1 17 27 1 17 29 1 18 26 1 18 31 1 19 24 1 20 21 1 26 20 -2 27 22 -1 25 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 32 H 15.85 -11.66 C 15.85 -4.28 C 20.69 -16.85 C 11.53 -14.61 C 14.48 -7.71 C 19.48 -11.96 C 14.72 -15.89 C 18.28 -11.03 C 15.85 -15.52 O 18.28 -16.86 O 11.53 -12.17 O 18.28 -5.63 O 13.41 -15.41 C 17.04 -7.69 C 15.85 -9.82 C 17.04 -10.53 C 14.48 -12.25 C 17.04 -14.81 O 15.85 -5.65 O 19.48 -14.78 C 19.48 -16.18 C 12.24 -13.40 C 15.85 -8.42 C 17.04 -6.32 C 18.28 -12.68 C 18.28 -14.09 C 13.67 -13.40 C 14.48 -14.51 C 15.82 -12.68 C 17.04 -11.96 C 15.85 -14.09 29 1 -1 2 19 1 3 21 1 4 22 1 5 23 1 25 6 -2 28 7 -2 30 8 -2 31 9 -2 10 21 2 11 22 2 12 24 2 28 13 -1 14 23 2 14 24 1 15 16 1 15 23 1 16 30 1 17 27 1 17 29 1 18 26 1 18 31 1 19 24 1 20 21 1 26 20 -2 27 22 -1 25 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 32 H 15.85 -11.66 C:51 15.85 -4.28 C:21 20.69 -16.85 C:32 11.53 -14.61 C:19 14.48 -7.71 C:11 19.48 -11.96 C:22 14.72 -15.89 C:19 18.28 -11.03 C:18 15.85 -15.52 O 18.28 -16.86 O 11.53 -12.17 O 18.28 -5.63 O 13.41 -15.41 C:115 17.04 -7.69 C:35 15.85 -9.82 C:39 17.04 -10.53 C:25 14.48 -12.25 C:34 17.04 -14.81 O 15.85 -5.65 O 19.48 -14.78 C:171 19.48 -16.18 C:213 12.24 -13.40 C:161 15.85 -8.42 C:168 17.04 -6.32 C:39 18.28 -12.68 C:76 18.28 -14.09 C:56 13.67 -13.40 C:83 14.48 -14.51 C:47 15.82 -12.68 C:38 17.04 -11.96 C:48 15.85 -14.09 29 1 -1 2 19 1 3 21 1 4 22 1 5 23 1 25 6 -2 28 7 -2 30 8 -2 31 9 -2 10 21 2 11 22 2 12 24 2 28 13 -1 14 23 2 14 24 1 15 16 1 15 23 1 16 30 1 17 27 1 17 29 1 18 26 1 18 31 1 19 24 1 20 21 1 26 20 -2 27 22 -1 25 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', 'C24H38O6', 422.261, 'C', 'ph52_487_2', 3073, '', '', '1', 1, NULL, NULL),
(11909, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][C@@H:3](O)[C:4](=[CH2:18])[C@:5]1([CH3:19])[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH3:15001]', '[H][C@]12CC[C@@H](O)C(=C)[C@]1(C)C[C@@H](OC(C)=O)[C@@H](C)[C@]2(C)CCC(C)=CC(=O)OC', '[H][C@:48]12[CH2:20][CH2:37][C@@H:69](O)[C:161](=[CH2:100])[C@:40]1([CH3:22])[CH2:40][C@@H:75](O[C:171]([CH3:21])=O)[C@@H:38]([CH3:13])[C@:39]2([CH3:20])[CH2:37][CH2:35][C:161]([CH3:19])=[CH:115][C:167](=O)O[CH3:51]', '29 30 H 15.49 -11.71 C:18 14.26 -16.27 C:15001 15.49 -4.27 C:7002 20.39 -16.95 C:16 14.26 -7.83 C:17 19.17 -12.02 C:19 15.49 -15.57 C:20 17.77 -11.08 O 17.96 -16.95 O 17.96 -5.66 O 11.84 -14.85 C:14 16.71 -7.83 C:12 15.49 -9.90 C:2 13.05 -12.74 C:1 14.26 -12.02 C:11 16.71 -10.59 C:6 16.71 -14.85 O 15.49 -5.66 O 19.17 -14.85 C:7001 19.17 -16.27 C:13 15.49 -8.52 C:15 16.71 -6.39 C:4 14.26 -14.85 C:3 13.05 -14.15 C:8 17.96 -12.74 C:7 17.96 -14.15 C:10 15.49 -12.74 C:5 15.49 -14.15 C:9 16.71 -12.02 27 1 -1 2 23 2 3 18 1 4 20 1 5 21 1 25 6 -2 28 7 -2 29 8 -2 9 20 2 10 22 2 24 11 -2 12 21 2 12 22 1 13 16 1 13 21 1 14 15 1 14 24 1 15 27 1 16 29 1 17 26 1 17 28 1 18 22 1 19 20 1 26 19 -2 23 24 1 23 28 1 25 26 1 25 29 1 27 28 1 27 29 1', '29 30 H 15.49 -11.71 C 14.26 -16.27 C 15.49 -4.27 C 20.39 -16.95 C 14.26 -7.83 C 19.17 -12.02 C 15.49 -15.57 C 17.77 -11.08 O 17.96 -16.95 O 17.96 -5.66 O 11.84 -14.85 C 16.71 -7.83 C 15.49 -9.90 C 13.05 -12.74 C 14.26 -12.02 C 16.71 -10.59 C 16.71 -14.85 O 15.49 -5.66 O 19.17 -14.85 C 19.17 -16.27 C 15.49 -8.52 C 16.71 -6.39 C 14.26 -14.85 C 13.05 -14.15 C 17.96 -12.74 C 17.96 -14.15 C 15.49 -12.74 C 15.49 -14.15 C 16.71 -12.02 27 1 -1 2 23 2 3 18 1 4 20 1 5 21 1 25 6 -2 28 7 -2 29 8 -2 9 20 2 10 22 2 24 11 -2 12 21 2 12 22 1 13 16 1 13 21 1 14 15 1 14 24 1 15 27 1 16 29 1 17 26 1 17 28 1 18 22 1 19 20 1 26 19 -2 23 24 1 23 28 1 25 26 1 25 29 1 27 28 1 27 29 1', '29 30 H 15.49 -11.71 C:100 14.26 -16.27 C:51 15.49 -4.27 C:21 20.39 -16.95 C:19 14.26 -7.83 C:13 19.17 -12.02 C:22 15.49 -15.57 C:20 17.77 -11.08 O 17.96 -16.95 O 17.96 -5.66 O 11.84 -14.85 C:115 16.71 -7.83 C:35 15.49 -9.90 C:37 13.05 -12.74 C:20 14.26 -12.02 C:37 16.71 -10.59 C:40 16.71 -14.85 O 15.49 -5.66 O 19.17 -14.85 C:171 19.17 -16.27 C:161 15.49 -8.52 C:167 16.71 -6.39 C:161 14.26 -14.85 C:69 13.05 -14.15 C:38 17.96 -12.74 C:75 17.96 -14.15 C:48 15.49 -12.74 C:40 15.49 -14.15 C:39 16.71 -12.02 27 1 -1 2 23 2 3 18 1 4 20 1 5 21 1 25 6 -2 28 7 -2 29 8 -2 9 20 2 10 22 2 24 11 -2 12 21 2 12 22 1 13 16 1 13 21 1 14 15 1 14 24 1 15 27 1 16 29 1 17 26 1 17 28 1 18 22 1 19 20 1 26 19 -2 23 24 1 23 28 1 25 26 1 25 29 1 27 28 1 27 29 1', 'C23H36O5', 392.251, 'C', 'ph52_487_3', 3073, '', '', '1', 1, NULL, NULL),
(11910, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][C@H:3](O)[C:4](=[CH2:18])[C@:5]1([CH3:19])[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH3:15001]', '[H][C@]12CC[C@H](O)C(=C)[C@]1(C)C[C@@H](OC(C)=O)[C@@H](C)[C@]2(C)CCC(C)=CC(=O)OC', '[H][C@:48]12[CH2:20][CH2:32][C@H:82](O)[C:157](=[CH2:101])[C@:40]1([CH3:22])[CH2:40][C@@H:75](O[C:171]([CH3:21])=O)[C@@H:38]([CH3:12])[C@:39]2([CH3:19])[CH2:37][CH2:35][C:160]([CH3:19])=[CH:115][C:167](=O)O[CH3:51]', '29 30 H 15.49 -11.71 C:18 14.26 -16.27 C:15001 15.49 -4.27 C:7002 20.39 -16.95 C:16 14.26 -7.83 C:17 19.17 -12.02 C:19 15.49 -15.57 C:20 17.77 -11.08 O 17.96 -16.95 O 17.96 -5.66 O 11.84 -14.85 C:14 16.71 -7.83 C:12 15.49 -9.90 C:2 13.05 -12.74 C:1 14.26 -12.02 C:11 16.71 -10.59 C:6 16.71 -14.85 O 15.49 -5.66 O 19.17 -14.85 C:7001 19.17 -16.27 C:13 15.49 -8.52 C:15 16.71 -6.39 C:4 14.26 -14.85 C:3 13.05 -14.15 C:8 17.96 -12.74 C:7 17.96 -14.15 C:10 15.49 -12.74 C:5 15.49 -14.15 C:9 16.71 -12.02 27 1 -1 2 23 2 3 18 1 4 20 1 5 21 1 25 6 -2 28 7 -2 29 8 -2 9 20 2 10 22 2 24 11 -1 12 21 2 12 22 1 13 16 1 13 21 1 14 15 1 14 24 1 15 27 1 16 29 1 17 26 1 17 28 1 18 22 1 19 20 1 26 19 -2 23 24 1 23 28 1 25 26 1 25 29 1 27 28 1 27 29 1', '29 30 H 15.49 -11.71 C 14.26 -16.27 C 15.49 -4.27 C 20.39 -16.95 C 14.26 -7.83 C 19.17 -12.02 C 15.49 -15.57 C 17.77 -11.08 O 17.96 -16.95 O 17.96 -5.66 O 11.84 -14.85 C 16.71 -7.83 C 15.49 -9.90 C 13.05 -12.74 C 14.26 -12.02 C 16.71 -10.59 C 16.71 -14.85 O 15.49 -5.66 O 19.17 -14.85 C 19.17 -16.27 C 15.49 -8.52 C 16.71 -6.39 C 14.26 -14.85 C 13.05 -14.15 C 17.96 -12.74 C 17.96 -14.15 C 15.49 -12.74 C 15.49 -14.15 C 16.71 -12.02 27 1 -1 2 23 2 3 18 1 4 20 1 5 21 1 25 6 -2 28 7 -2 29 8 -2 9 20 2 10 22 2 24 11 -1 12 21 2 12 22 1 13 16 1 13 21 1 14 15 1 14 24 1 15 27 1 16 29 1 17 26 1 17 28 1 18 22 1 19 20 1 26 19 -2 23 24 1 23 28 1 25 26 1 25 29 1 27 28 1 27 29 1', '29 30 H 15.49 -11.71 C:101 14.26 -16.27 C:51 15.49 -4.27 C:21 20.39 -16.95 C:19 14.26 -7.83 C:12 19.17 -12.02 C:22 15.49 -15.57 C:19 17.77 -11.08 O 17.96 -16.95 O 17.96 -5.66 O 11.84 -14.85 C:115 16.71 -7.83 C:35 15.49 -9.90 C:32 13.05 -12.74 C:20 14.26 -12.02 C:37 16.71 -10.59 C:40 16.71 -14.85 O 15.49 -5.66 O 19.17 -14.85 C:171 19.17 -16.27 C:160 15.49 -8.52 C:167 16.71 -6.39 C:157 14.26 -14.85 C:82 13.05 -14.15 C:38 17.96 -12.74 C:75 17.96 -14.15 C:48 15.49 -12.74 C:40 15.49 -14.15 C:39 16.71 -12.02 27 1 -1 2 23 2 3 18 1 4 20 1 5 21 1 25 6 -2 28 7 -2 29 8 -2 9 20 2 10 22 2 24 11 -1 12 21 2 12 22 1 13 16 1 13 21 1 14 15 1 14 24 1 15 27 1 16 29 1 17 26 1 17 28 1 18 22 1 19 20 1 26 19 -2 23 24 1 23 28 1 25 26 1 25 29 1 27 28 1 27 29 1', 'C23H36O5', 392.251, 'C', 'ph52_487_4', 3073, '', '', '1', 1, NULL, NULL),
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(11924, 'Splenolide C', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:4]35[CH:3]=[CH:2][C@@H:1](O[C:1001]([CH3:1002])=O)[C@:10]4([H])[C@@:9]2([CH3:20])[C@@H:11](O[C:11001]([CH3:11002])=O)[C@H:12]([C:13]1=[CH:14][CH:15](O)O[C:16]1=O)O[C:17](=O)[C@@:8]2([H])[CH2:7][CH2:6][C@@:5]34[CH2:19]O[C:18]5=O', '[H][C@@]35C=C[C@@H](OC(C)=O)[C@]4([H])[C@@]2(C)[C@@H](OC(C)=O)[C@H](C1=CC(O)OC1=O)OC(=O)[C@@]2([H])CC[C@@]34COC5=O', '[H][C@@:51]35[CH:122]=[CH:129][C@@H:67](O[C:171]([CH3:19])=O)[C@:41]4([H])[C@@:40]2([CH3:20])[C@@H:76](O[C:171]([CH3:22])=O)[C@H:71]([C:135]1=[CH:149][CH:97](O)O[C:169]1=O)O[C:169](=O)[C@@:50]2([H])[CH2:20][CH2:32][C@@:42]34[CH2:71]O[C:174]5=O', '38 42 H 13.72 -15.00 H 18.35 -11.26 H 15.78 -11.26 C:1002 11.47 -9.52 C:11002 14.77 -7.17 C:20 17.05 -13.00 O 11.78 -11.93 O 14.30 -9.52 O 15.92 -7.60 O 13.33 -16.57 O 20.82 -12.39 O 19.88 -4.57 C:2 13.25 -12.29 C:3 13.25 -13.78 C:14 19.50 -7.11 C:7 18.35 -13.78 C:6 17.11 -14.50 C:19 16.56 -15.06 O 15.92 -16.02 O 13.72 -10.45 O 17.64 -5.71 O 16.56 -8.76 O 19.58 -10.09 C:1001 12.31 -10.64 C:11001 15.22 -8.49 C:16 17.22 -7.11 C:18 14.55 -15.86 C:17 19.58 -11.57 C:13 18.35 -7.93 C:15 19.07 -5.71 C:1 14.55 -11.57 C:12 18.35 -9.37 C:11 17.05 -10.09 C:4 14.55 -14.50 C:8 18.35 -12.29 C:10 15.78 -12.29 C:9 17.05 -11.57 C:5 15.78 -13.78 34 1 -1 35 2 -2 36 3 -1 4 24 1 5 25 1 37 6 -2 7 24 2 8 25 2 9 26 2 10 27 2 11 28 2 12 30 1 13 14 2 13 31 1 14 34 1 15 29 2 15 30 1 16 17 1 16 35 1 17 38 1 18 19 1 38 18 -2 19 27 1 20 24 1 31 20 -1 21 26 1 21 30 1 22 25 1 33 22 -1 23 28 1 23 32 1 26 29 1 27 34 1 28 35 1 32 29 -2 31 36 1 32 33 1 33 37 1 34 38 1 35 37 1 36 37 1 36 38 1', '38 42 H 13.72 -15.00 H 18.35 -11.26 H 15.78 -11.26 C 11.47 -9.52 C 14.77 -7.17 C 17.05 -13.00 O 11.78 -11.93 O 14.30 -9.52 O 15.92 -7.60 O 13.33 -16.57 O 20.82 -12.39 O 19.88 -4.57 C 13.25 -12.29 C 13.25 -13.78 C 19.50 -7.11 C 18.35 -13.78 C 17.11 -14.50 C 16.56 -15.06 O 15.92 -16.02 O 13.72 -10.45 O 17.64 -5.71 O 16.56 -8.76 O 19.58 -10.09 C 12.31 -10.64 C 15.22 -8.49 C 17.22 -7.11 C 14.55 -15.86 C 19.58 -11.57 C 18.35 -7.93 C 19.07 -5.71 C 14.55 -11.57 C 18.35 -9.37 C 17.05 -10.09 C 14.55 -14.50 C 18.35 -12.29 C 15.78 -12.29 C 17.05 -11.57 C 15.78 -13.78 34 1 -1 35 2 -2 36 3 -1 4 24 1 5 25 1 37 6 -2 7 24 2 8 25 2 9 26 2 10 27 2 11 28 2 12 30 1 13 14 2 13 31 1 14 34 1 15 29 2 15 30 1 16 17 1 16 35 1 17 38 1 18 19 1 38 18 -2 19 27 1 20 24 1 31 20 -1 21 26 1 21 30 1 22 25 1 33 22 -1 23 28 1 23 32 1 26 29 1 27 34 1 28 35 1 32 29 -2 31 36 1 32 33 1 33 37 1 34 38 1 35 37 1 36 37 1 36 38 1', '38 42 H 13.72 -15.00 H 18.35 -11.26 H 15.78 -11.26 C:19 11.47 -9.52 C:22 14.77 -7.17 C:20 17.05 -13.00 O 11.78 -11.93 O 14.30 -9.52 O 15.92 -7.60 O 13.33 -16.57 O 20.82 -12.39 O 19.88 -4.57 C:129 13.25 -12.29 C:122 13.25 -13.78 C:149 19.50 -7.11 C:20 18.35 -13.78 C:32 17.11 -14.50 C:71 16.56 -15.06 O 15.92 -16.02 O 13.72 -10.45 O 17.64 -5.71 O 16.56 -8.76 O 19.58 -10.09 C:171 12.31 -10.64 C:171 15.22 -8.49 C:169 17.22 -7.11 C:174 14.55 -15.86 C:169 19.58 -11.57 C:135 18.35 -7.93 C:97 19.07 -5.71 C:67 14.55 -11.57 C:71 18.35 -9.37 C:76 17.05 -10.09 C:51 14.55 -14.50 C:50 18.35 -12.29 C:41 15.78 -12.29 C:40 17.05 -11.57 C:42 15.78 -13.78 34 1 -1 35 2 -2 36 3 -1 4 24 1 5 25 1 37 6 -2 7 24 2 8 25 2 9 26 2 10 27 2 11 28 2 12 30 1 13 14 2 13 31 1 14 34 1 15 29 2 15 30 1 16 17 1 16 35 1 17 38 1 18 19 1 38 18 -2 19 27 1 20 24 1 31 20 -1 21 26 1 21 30 1 22 25 1 33 22 -1 23 28 1 23 32 1 26 29 1 27 34 1 28 35 1 32 29 -2 31 36 1 32 33 1 33 37 1 34 38 1 35 37 1 36 37 1 36 38 1', 'C24H26O11', 490.274, 'C', 'ph46_781_3', 3076, '', '', '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
(11925, 'Salviarin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:4]35[CH:3]=[CH:2][CH2:1][C@:10]4([H])[C@@:9]2([CH3:20])[CH2:11][C@H:12]([c:13]1[cH:14][cH:15]o[cH:16]1)O[C:17](=O)[C@@:8]2([H])[CH2:7][CH2:6][C@@:5]34[CH2:19]O[C:18]5=O', '[H][C@@]35C=CC[C@]4([H])[C@@]2(C)C[C@H](c1ccoc1)OC(=O)[C@@]2([H])CC[C@@]34COC5=O', '[H][C@@:52]35[CH:121]=[CH:129][CH2:19][C@:38]4([H])[C@@:35]2([CH3:24])[CH2:41][C@H:71]([c:125]1[cH:108][cH:144]o[cH:140]1)O[C:175](=O)[C@@:49]2([H])[CH2:22][CH2:32][C@@:41]34[CH2:70]O[C:171]5=O', '28 32 H 12.80 -14.40 H 17.45 -10.68 H 14.88 -10.68 C:20 16.14 -12.41 O 12.42 -16.01 O 19.92 -11.71 C:2 12.34 -11.71 C:3 12.34 -13.19 C:15 18.16 -5.15 C:14 18.60 -6.53 C:16 16.31 -6.53 C:1 13.63 -10.99 C:7 17.45 -13.19 C:6 16.20 -13.92 C:19 15.65 -14.47 C:11 16.14 -9.54 O 15.02 -15.47 O 18.68 -9.54 O 16.74 -5.15 C:18 13.63 -15.30 C:17 18.68 -10.99 C:13 17.45 -7.35 C:12 17.45 -8.80 C:4 13.63 -13.92 C:8 17.45 -11.71 C:10 14.88 -11.71 C:9 16.14 -10.99 C:5 14.88 -13.19 24 1 -1 25 2 -2 26 3 -1 27 4 -2 5 20 2 6 21 2 7 8 2 7 12 1 8 24 1 9 10 2 9 19 1 10 22 1 11 19 1 11 22 2 12 26 1 13 14 1 13 25 1 14 28 1 15 17 1 28 15 -2 16 23 1 16 27 1 17 20 1 18 21 1 18 23 1 20 24 1 21 25 1 23 22 -2 24 28 1 25 27 1 26 27 1 26 28 1', '28 32 H 12.80 -14.40 H 17.45 -10.68 H 14.88 -10.68 C 16.14 -12.41 O 12.42 -16.01 O 19.92 -11.71 C 12.34 -11.71 C 12.34 -13.19 C 18.16 -5.15 C 18.60 -6.53 C 16.31 -6.53 C 13.63 -10.99 C 17.45 -13.19 C 16.20 -13.92 C 15.65 -14.47 C 16.14 -9.54 O 15.02 -15.47 O 18.68 -9.54 O 16.74 -5.15 C 13.63 -15.30 C 18.68 -10.99 C 17.45 -7.35 C 17.45 -8.80 C 13.63 -13.92 C 17.45 -11.71 C 14.88 -11.71 C 16.14 -10.99 C 14.88 -13.19 24 1 -1 25 2 -2 26 3 -1 27 4 -2 5 20 2 6 21 2 7 8 2 7 12 1 8 24 1 9 10 2 9 19 1 10 22 1 11 19 1 11 22 2 12 26 1 13 14 1 13 25 1 14 28 1 15 17 1 28 15 -2 16 23 1 16 27 1 17 20 1 18 21 1 18 23 1 20 24 1 21 25 1 23 22 -2 24 28 1 25 27 1 26 27 1 26 28 1', '28 32 H 12.80 -14.40 H 17.45 -10.68 H 14.88 -10.68 C:24 16.14 -12.41 O 12.42 -16.01 O 19.92 -11.71 C:129 12.34 -11.71 C:121 12.34 -13.19 C:144 18.16 -5.15 C:108 18.60 -6.53 C:140 16.31 -6.53 C:19 13.63 -10.99 C:22 17.45 -13.19 C:32 16.20 -13.92 C:70 15.65 -14.47 C:41 16.14 -9.54 O 15.02 -15.47 O 18.68 -9.54 O 16.74 -5.15 C:171 13.63 -15.30 C:175 18.68 -10.99 C:125 17.45 -7.35 C:71 17.45 -8.80 C:52 13.63 -13.92 C:49 17.45 -11.71 C:38 14.88 -11.71 C:35 16.14 -10.99 C:41 14.88 -13.19 24 1 -1 25 2 -2 26 3 -1 27 4 -2 5 20 2 6 21 2 7 8 2 7 12 1 8 24 1 9 10 2 9 19 1 10 22 1 11 19 1 11 22 2 12 26 1 13 14 1 13 25 1 14 28 1 15 17 1 28 15 -2 16 23 1 16 27 1 17 20 1 18 21 1 18 23 1 20 24 1 21 25 1 23 22 -2 24 28 1 25 27 1 26 27 1 26 28 1', 'C20H22O5', 342.235, 'C', 'ph46_781_4', 3076, '', '', '1', 1, NULL, NULL),
(11926, 'Splendidin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:4]35[CH:3]=[CH:2][C@@H:1](O[C:1001]([CH3:1002])=O)[C@:10]4([H])[C@@:9]2([CH3:20])[C@@H:11](O[C:11001]([CH3:11002])=O)[C@H:12]([c:13]1[cH:14][cH:15]o[cH:16]1)O[C:17](=O)[C@@:8]2([H])[CH2:7][CH2:6][C@@:5]34[CH2:19]O[C:18]5=O', '[H][C@@]35C=C[C@@H](OC(C)=O)[C@]4([H])[C@@]2(C)[C@@H](OC(C)=O)[C@H](c1ccoc1)OC(=O)[C@@]2([H])CC[C@@]34COC5=O', '[H][C@@:51]35[CH:122]=[CH:129][C@@H:67](O[C:170]([CH3:22])=O)[C@:41]4([H])[C@@:40]2([CH3:19])[C@@H:76](O[C:170]([CH3:20])=O)[C@H:71]([c:122]1[cH:109][cH:144]o[cH:142]1)O[C:169](=O)[C@@:50]2([H])[CH2:29][CH2:32][C@@:42]34[CH2:70]O[C:174]5=O', '36 40 H 13.72 -14.44 H 18.35 -10.70 H 15.78 -10.70 C:1002 11.47 -8.96 C:11002 14.77 -6.61 C:20 17.05 -12.44 O 11.78 -11.37 O 14.30 -8.96 O 13.33 -16.01 O 20.82 -11.83 C:2 13.25 -11.73 C:3 13.25 -13.22 C:15 19.07 -5.15 C:14 19.50 -6.55 C:16 17.22 -6.55 C:7 18.35 -13.22 C:6 17.11 -13.94 C:19 16.56 -14.50 O 15.92 -15.46 O 13.72 -9.89 O 16.56 -8.20 O 19.58 -9.53 O 17.64 -5.15 C:1001 12.31 -10.08 C:11001 15.22 -7.93 C:18 14.55 -15.30 C:17 19.58 -11.01 C:13 18.35 -7.37 C:1 14.55 -11.01 C:12 18.35 -8.81 C:11 17.05 -9.53 C:4 14.55 -13.94 C:8 18.35 -11.73 C:10 15.78 -11.73 C:9 17.05 -11.01 C:5 15.78 -13.22 32 1 -1 33 2 -2 34 3 -1 4 24 1 5 25 1 35 6 -2 7 24 2 8 25 2 9 26 2 10 27 2 11 12 2 11 29 1 12 32 1 13 14 2 13 23 1 14 28 1 15 23 1 15 28 2 16 17 1 16 33 1 17 36 1 18 19 1 36 18 -2 19 26 1 20 24 1 29 20 -1 21 25 1 31 21 -1 22 27 1 22 30 1 26 32 1 27 33 1 30 28 -2 29 34 1 30 31 1 31 35 1 32 36 1 33 35 1 34 35 1 34 36 1', '36 40 H 13.72 -14.44 H 18.35 -10.70 H 15.78 -10.70 C 11.47 -8.96 C 14.77 -6.61 C 17.05 -12.44 O 11.78 -11.37 O 14.30 -8.96 O 13.33 -16.01 O 20.82 -11.83 C 13.25 -11.73 C 13.25 -13.22 C 19.07 -5.15 C 19.50 -6.55 C 17.22 -6.55 C 18.35 -13.22 C 17.11 -13.94 C 16.56 -14.50 O 15.92 -15.46 O 13.72 -9.89 O 16.56 -8.20 O 19.58 -9.53 O 17.64 -5.15 C 12.31 -10.08 C 15.22 -7.93 C 14.55 -15.30 C 19.58 -11.01 C 18.35 -7.37 C 14.55 -11.01 C 18.35 -8.81 C 17.05 -9.53 C 14.55 -13.94 C 18.35 -11.73 C 15.78 -11.73 C 17.05 -11.01 C 15.78 -13.22 32 1 -1 33 2 -2 34 3 -1 4 24 1 5 25 1 35 6 -2 7 24 2 8 25 2 9 26 2 10 27 2 11 12 2 11 29 1 12 32 1 13 14 2 13 23 1 14 28 1 15 23 1 15 28 2 16 17 1 16 33 1 17 36 1 18 19 1 36 18 -2 19 26 1 20 24 1 29 20 -1 21 25 1 31 21 -1 22 27 1 22 30 1 26 32 1 27 33 1 30 28 -2 29 34 1 30 31 1 31 35 1 32 36 1 33 35 1 34 35 1 34 36 1', '36 40 H 13.72 -14.44 H 18.35 -10.70 H 15.78 -10.70 C:22 11.47 -8.96 C:20 14.77 -6.61 C:19 17.05 -12.44 O 11.78 -11.37 O 14.30 -8.96 O 13.33 -16.01 O 20.82 -11.83 C:129 13.25 -11.73 C:122 13.25 -13.22 C:144 19.07 -5.15 C:109 19.50 -6.55 C:142 17.22 -6.55 C:29 18.35 -13.22 C:32 17.11 -13.94 C:70 16.56 -14.50 O 15.92 -15.46 O 13.72 -9.89 O 16.56 -8.20 O 19.58 -9.53 O 17.64 -5.15 C:170 12.31 -10.08 C:170 15.22 -7.93 C:174 14.55 -15.30 C:169 19.58 -11.01 C:122 18.35 -7.37 C:67 14.55 -11.01 C:71 18.35 -8.81 C:76 17.05 -9.53 C:51 14.55 -13.94 C:50 18.35 -11.73 C:41 15.78 -11.73 C:40 17.05 -11.01 C:42 15.78 -13.22 32 1 -1 33 2 -2 34 3 -1 4 24 1 5 25 1 35 6 -2 7 24 2 8 25 2 9 26 2 10 27 2 11 12 2 11 29 1 12 32 1 13 14 2 13 23 1 14 28 1 15 23 1 15 28 2 16 17 1 16 33 1 17 36 1 18 19 1 36 18 -2 19 26 1 20 24 1 29 20 -1 21 25 1 31 21 -1 22 27 1 22 30 1 26 32 1 27 33 1 30 28 -2 29 34 1 30 31 1 31 35 1 32 36 1 33 35 1 34 35 1 34 36 1', 'C24H26O9', 458.275, 'C', 'ph46_781_5', 3076, '', '', '1', 1, NULL, NULL),
(11927, '', '(6S,13S)-Cleroda-3,13-diene-6,13-diol', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C@:13]([CH3:16])(O)[CH:14]=[CH2:15]', '[H][C@]12CCC=C(C)[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)CC[C@](C)(O)C=C', '[H][C@:45]12[CH2:18][CH2:27][CH:122]=[C:144]([CH3:22])[C@:44]1([CH3:15])[C@@H:76](O)[CH2:38][C@@H:34]([CH3:16])[C@:38]2([CH3:18])[CH2:32][CH2:35][C@:73]([CH3:28])(O)[CH:145]=[CH2:112]', '23 24 H 15.48 -10.98 C:15 16.68 -5.66 C:18 14.25 -15.55 C:17 19.18 -11.29 C:16 14.25 -7.10 C:20 17.78 -10.35 C:19 15.48 -14.85 O 16.68 -15.54 O 14.25 -8.49 C:14 16.68 -7.10 C:3 13.03 -13.43 C:2 13.03 -12.01 C:12 15.48 -9.17 C:1 14.25 -11.29 C:11 16.68 -9.86 C:7 17.96 -13.43 C:4 14.25 -14.14 C:8 17.96 -12.01 C:6 16.68 -14.14 C:13 15.48 -7.80 C:10 15.48 -12.01 C:9 16.68 -11.29 C:5 15.48 -13.43 21 1 -1 2 10 2 3 17 1 18 4 -2 20 5 -1 22 6 -2 23 7 -2 19 8 -2 20 9 -2 10 20 1 11 12 1 11 17 2 12 14 1 13 15 1 13 20 1 14 21 1 15 22 1 16 18 1 16 19 1 17 23 1 18 22 1 19 23 1 21 22 1 21 23 1', '23 24 H 15.48 -10.98 C 16.68 -5.66 C 14.25 -15.55 C 19.18 -11.29 C 14.25 -7.10 C 17.78 -10.35 C 15.48 -14.85 O 16.68 -15.54 O 14.25 -8.49 C 16.68 -7.10 C 13.03 -13.43 C 13.03 -12.01 C 15.48 -9.17 C 14.25 -11.29 C 16.68 -9.86 C 17.96 -13.43 C 14.25 -14.14 C 17.96 -12.01 C 16.68 -14.14 C 15.48 -7.80 C 15.48 -12.01 C 16.68 -11.29 C 15.48 -13.43 21 1 -1 2 10 2 3 17 1 18 4 -2 20 5 -1 22 6 -2 23 7 -2 19 8 -2 20 9 -2 10 20 1 11 12 1 11 17 2 12 14 1 13 15 1 13 20 1 14 21 1 15 22 1 16 18 1 16 19 1 17 23 1 18 22 1 19 23 1 21 22 1 21 23 1', '23 24 H 15.48 -10.98 C:112 16.68 -5.66 C:22 14.25 -15.55 C:16 19.18 -11.29 C:28 14.25 -7.10 C:18 17.78 -10.35 C:15 15.48 -14.85 O 16.68 -15.54 O 14.25 -8.49 C:145 16.68 -7.10 C:122 13.03 -13.43 C:27 13.03 -12.01 C:35 15.48 -9.17 C:18 14.25 -11.29 C:32 16.68 -9.86 C:38 17.96 -13.43 C:144 14.25 -14.14 C:34 17.96 -12.01 C:76 16.68 -14.14 C:73 15.48 -7.80 C:45 15.48 -12.01 C:38 16.68 -11.29 C:44 15.48 -13.43 21 1 -1 2 10 2 3 17 1 18 4 -2 20 5 -1 22 6 -2 23 7 -2 19 8 -2 20 9 -2 10 20 1 11 12 1 11 17 2 12 14 1 13 15 1 13 20 1 14 21 1 15 22 1 16 18 1 16 19 1 17 23 1 18 22 1 19 23 1 21 22 1 21 23 1', 'C20H34O2', 306.221, 'C', 'ph46_839_1', 3077, '', '', '1', 1, NULL, NULL),
(11928, '', '(6S,13S)-13-0-[α-L-Rhamnopyranosyl-(1-->4)-β-D-fucopyranosyl]-6-O-[β-D-glucopyranosyl-(1-->4)-α-L-rhamnopyranosyl]cleroda-3,14-diene-6,13-diol', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]14[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C@@H:101]3O[C@@H:105]([CH3:106])[C@@H:104](O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@@H:103](O)[C@H:102]3O)[CH2:7][C@@H:8]([CH3:17])[C@:9]4([CH3:20])[CH2:11][CH2:12][C@@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:301]6O[C@H:305]([CH3:306])[C@H:304](O[C@@H:401]5O[C@@H:405]([CH3:406])[C@H:404](O)[C@@H:403](O)[C@H:402]5O)[C@H:303](O)[C@H:302]6O', '[H][C@]14CCC=C(C)[C@]1(C)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]3O)C[C@@H](C)[C@]4(C)CC[C@@](C)(C=C)O[C@@H]6O[C@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]6O', 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(11938, 'diacetyl Thymonin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O[C:18001]([CH3:18002])=O)[C@:5]1([CH2:19]O[C:19001]([CH3:19002])=O)[C@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=O)O[CH2:16]3', '[H][C@]12CCC=C(COC(C)=O)[C@]1(COC(C)=O)[C@H](OC(C)=O)C[C@@H](C)[C@]2(C)CCC3=CC(=O)OC3', '[H][C@:46]12[CH2:18][CH2:26][CH:134]=[C:136]([CH2:68]O[C:171]([CH3:21])=O)[C@:45]1([CH2:64]O[C:170]([CH3:21])=O)[C@H:77](O[C:170]([CH3:21])=O)[CH2:32][C@@H:34]([CH3:15])[C@:38]2([CH3:18])[CH2:35][CH2:22][C:171]3=[CH:115][C:174](=O)O[CH2:73]3', '35 37 H 16.67 -10.05 C:18002 11.84 -15.32 C:19002 16.93 -17.62 C:6002 19.04 -16.76 C:17 20.37 -10.35 C:20 18.96 -9.42 O 13.04 -13.22 O 14.99 -16.17 O 20.27 -14.69 O 18.20 -3.52 C:3 14.25 -12.47 C:14 17.86 -5.98 C:2 14.25 -11.05 C:12 16.67 -8.22 C:16 15.54 -5.98 C:18 15.46 -14.62 C:1 15.46 -10.35 C:11 17.86 -8.95 C:19 16.67 -13.93 C:7 19.15 -12.47 O 14.25 -15.32 O 15.97 -4.66 O 17.22 -15.22 O 17.86 -14.62 C:18001 13.04 -14.62 C:19001 16.38 -16.34 C:6001 19.04 -15.32 C:15 17.38 -4.66 C:13 16.67 -6.81 C:4 15.46 -13.22 C:8 19.15 -11.05 C:6 17.86 -13.22 C:10 16.67 -11.05 C:9 17.86 -10.35 C:5 16.67 -12.47 33 1 -1 2 25 1 3 26 1 4 27 1 31 5 -2 34 6 -2 7 25 2 8 26 2 9 27 2 10 28 2 11 13 1 11 30 2 12 28 1 12 29 2 13 17 1 14 18 1 14 29 1 15 22 1 15 29 1 16 21 1 16 30 1 17 33 1 18 34 1 19 23 1 35 19 -2 20 31 1 20 32 1 21 25 1 22 28 1 23 26 1 24 27 1 32 24 -1 30 35 1 31 34 1 32 35 1 33 34 1 33 35 1', '35 37 H 16.67 -10.05 C 11.84 -15.32 C 16.93 -17.62 C 19.04 -16.76 C 20.37 -10.35 C 18.96 -9.42 O 13.04 -13.22 O 14.99 -16.17 O 20.27 -14.69 O 18.20 -3.52 C 14.25 -12.47 C 17.86 -5.98 C 14.25 -11.05 C 16.67 -8.22 C 15.54 -5.98 C 15.46 -14.62 C 15.46 -10.35 C 17.86 -8.95 C 16.67 -13.93 C 19.15 -12.47 O 14.25 -15.32 O 15.97 -4.66 O 17.22 -15.22 O 17.86 -14.62 C 13.04 -14.62 C 16.38 -16.34 C 19.04 -15.32 C 17.38 -4.66 C 16.67 -6.81 C 15.46 -13.22 C 19.15 -11.05 C 17.86 -13.22 C 16.67 -11.05 C 17.86 -10.35 C 16.67 -12.47 33 1 -1 2 25 1 3 26 1 4 27 1 31 5 -2 34 6 -2 7 25 2 8 26 2 9 27 2 10 28 2 11 13 1 11 30 2 12 28 1 12 29 2 13 17 1 14 18 1 14 29 1 15 22 1 15 29 1 16 21 1 16 30 1 17 33 1 18 34 1 19 23 1 35 19 -2 20 31 1 20 32 1 21 25 1 22 28 1 23 26 1 24 27 1 32 24 -1 30 35 1 31 34 1 32 35 1 33 34 1 33 35 1', '35 37 H 16.67 -10.05 C:21 11.84 -15.32 C:21 16.93 -17.62 C:21 19.04 -16.76 C:15 20.37 -10.35 C:18 18.96 -9.42 O 13.04 -13.22 O 14.99 -16.17 O 20.27 -14.69 O 18.20 -3.52 C:134 14.25 -12.47 C:115 17.86 -5.98 C:26 14.25 -11.05 C:22 16.67 -8.22 C:73 15.54 -5.98 C:68 15.46 -14.62 C:18 15.46 -10.35 C:35 17.86 -8.95 C:64 16.67 -13.93 C:32 19.15 -12.47 O 14.25 -15.32 O 15.97 -4.66 O 17.22 -15.22 O 17.86 -14.62 C:171 13.04 -14.62 C:170 16.38 -16.34 C:170 19.04 -15.32 C:174 17.38 -4.66 C:171 16.67 -6.81 C:136 15.46 -13.22 C:34 19.15 -11.05 C:77 17.86 -13.22 C:46 16.67 -11.05 C:38 17.86 -10.35 C:45 16.67 -12.47 33 1 -1 2 25 1 3 26 1 4 27 1 31 5 -2 34 6 -2 7 25 2 8 26 2 9 27 2 10 28 2 11 13 1 11 30 2 12 28 1 12 29 2 13 17 1 14 18 1 14 29 1 15 22 1 15 29 1 16 21 1 16 30 1 17 33 1 18 34 1 19 23 1 35 19 -2 20 31 1 20 32 1 21 25 1 22 28 1 23 26 1 24 27 1 32 24 -1 30 35 1 31 34 1 32 35 1 33 34 1 33 35 1', 'C26H36O8', 476.281, 'C', 'ph46_1249_10', 3079, '', '', '1', 1, NULL, NULL),
(11939, '7β-Hydroxythymonin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O)[C@:5]1([CH2:19]O)[C@H:6](O)[C@@H:7](O)[C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=O)O[CH2:16]3', '[H][C@]12CCC=C(CO)[C@]1(CO)[C@H](O)[C@@H](O)[C@@H](C)[C@]2(C)CCC3=CC(=O)OC3', '[H][C@:45]12[CH2:17][CH2:25][CH:128]=[C:142]([CH2:66]O)[C@:47]1([CH2:63]O)[C@H:80](O)[C@@H:72](O)[C@@H:40]([CH3:11])[C@:38]2([CH3:18])[CH2:35][CH2:21][C:171]3=[CH:114][C:173](=O)O[CH2:72]3', '27 29 H 15.51 -11.24 C:17 19.21 -11.54 C:20 17.79 -10.61 O 17.03 -4.70 O 13.09 -16.50 O 15.51 -16.50 O 19.21 -14.39 O 16.69 -15.81 C:3 13.09 -13.68 C:14 16.69 -7.17 C:18 14.30 -15.81 C:2 13.09 -12.26 C:19 15.51 -15.12 C:12 15.51 -9.40 C:16 14.38 -7.17 C:1 14.30 -11.54 C:11 16.69 -10.13 O 14.81 -5.85 C:15 16.21 -5.85 C:13 15.51 -8.00 C:4 14.30 -14.39 C:8 17.98 -12.26 C:7 17.98 -13.68 C:6 16.69 -14.39 C:10 15.51 -12.26 C:9 16.69 -11.54 C:5 15.51 -13.68 25 1 -1 22 2 -2 26 3 -2 4 19 2 5 11 1 6 13 1 23 7 -2 24 8 -1 9 12 1 9 21 2 10 19 1 10 20 2 11 21 1 12 16 1 27 13 -2 14 17 1 14 20 1 15 18 1 15 20 1 16 25 1 17 26 1 18 19 1 21 27 1 22 23 1 22 26 1 23 24 1 24 27 1 25 26 1 25 27 1', '27 29 H 15.51 -11.24 C 19.21 -11.54 C 17.79 -10.61 O 17.03 -4.70 O 13.09 -16.50 O 15.51 -16.50 O 19.21 -14.39 O 16.69 -15.81 C 13.09 -13.68 C 16.69 -7.17 C 14.30 -15.81 C 13.09 -12.26 C 15.51 -15.12 C 15.51 -9.40 C 14.38 -7.17 C 14.30 -11.54 C 16.69 -10.13 O 14.81 -5.85 C 16.21 -5.85 C 15.51 -8.00 C 14.30 -14.39 C 17.98 -12.26 C 17.98 -13.68 C 16.69 -14.39 C 15.51 -12.26 C 16.69 -11.54 C 15.51 -13.68 25 1 -1 22 2 -2 26 3 -2 4 19 2 5 11 1 6 13 1 23 7 -2 24 8 -1 9 12 1 9 21 2 10 19 1 10 20 2 11 21 1 12 16 1 27 13 -2 14 17 1 14 20 1 15 18 1 15 20 1 16 25 1 17 26 1 18 19 1 21 27 1 22 23 1 22 26 1 23 24 1 24 27 1 25 26 1 25 27 1', '27 29 H 15.51 -11.24 C:11 19.21 -11.54 C:18 17.79 -10.61 O 17.03 -4.70 O 13.09 -16.50 O 15.51 -16.50 O 19.21 -14.39 O 16.69 -15.81 C:128 13.09 -13.68 C:114 16.69 -7.17 C:66 14.30 -15.81 C:25 13.09 -12.26 C:63 15.51 -15.12 C:21 15.51 -9.40 C:72 14.38 -7.17 C:17 14.30 -11.54 C:35 16.69 -10.13 O 14.81 -5.85 C:173 16.21 -5.85 C:171 15.51 -8.00 C:142 14.30 -14.39 C:40 17.98 -12.26 C:72 17.98 -13.68 C:80 16.69 -14.39 C:45 15.51 -12.26 C:38 16.69 -11.54 C:47 15.51 -13.68 25 1 -1 22 2 -2 26 3 -2 4 19 2 5 11 1 6 13 1 23 7 -2 24 8 -1 9 12 1 9 21 2 10 19 1 10 20 2 11 21 1 12 16 1 27 13 -2 14 17 1 14 20 1 15 18 1 15 20 1 16 25 1 17 26 1 18 19 1 21 27 1 22 23 1 22 26 1 23 24 1 24 27 1 25 26 1 25 27 1', 'C20H30O6', 366.218, 'C', 'ph46_1249_12', 3079, '', '', '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
(11940, 'triacetyl Thymonin', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O[C:18001]([CH3:18002])=O)[C@:5]1([CH2:19]O[C:19001]([CH3:19002])=O)[C@H:6](O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=O)O[CH2:16]3', '[H][C@]12CCC=C(COC(C)=O)[C@]1(COC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@@H](C)[C@]2(C)CCC3=CC(=O)OC3', '[H][C@:45]12[CH2:18][CH2:26][CH:130]=[C:137]([CH2:67]O[C:169]([CH3:21])=O)[C@:47]1([CH2:64]O[C:169]([CH3:21])=O)[C@H:78](O)[C@@H:77](O[C:170]([CH3:21])=O)[C@@H:40]([CH3:11])[C@:39]2([CH3:18])[CH2:36][CH2:22][C:172]3=[CH:116][C:174](=O)O[CH2:73]3', '36 38 H 15.49 -10.06 C:18002 10.67 -15.32 C:19002 15.75 -17.63 C:7002 21.64 -13.03 C:17 19.22 -10.36 C:20 17.79 -9.43 O 11.87 -13.23 O 13.81 -16.17 O 20.40 -10.98 O 17.02 -3.52 O 16.68 -14.62 C:3 13.08 -12.48 C:14 16.68 -5.99 C:2 13.08 -11.06 C:12 15.49 -8.23 C:16 14.36 -5.99 C:18 14.28 -14.62 C:1 14.28 -10.36 C:11 16.68 -8.96 C:19 15.49 -13.93 O 13.08 -15.32 O 14.79 -4.66 O 16.04 -15.22 O 19.22 -13.13 C:18001 11.87 -14.62 C:19001 15.20 -16.34 C:7001 20.40 -12.38 C:15 16.20 -4.66 C:13 15.49 -6.82 C:4 14.28 -13.23 C:8 17.98 -11.06 C:6 16.68 -13.23 C:7 17.98 -12.48 C:10 15.49 -11.06 C:9 16.68 -10.36 C:5 15.49 -12.48 34 1 -1 2 25 1 3 26 1 4 27 1 31 5 -2 35 6 -2 7 25 2 8 26 2 9 27 2 10 28 2 32 11 -1 12 14 1 12 30 2 13 28 1 13 29 2 14 18 1 15 19 1 15 29 1 16 22 1 16 29 1 17 21 1 17 30 1 18 34 1 19 35 1 20 23 1 36 20 -2 21 25 1 22 28 1 23 26 1 24 27 1 33 24 -2 30 36 1 31 33 1 31 35 1 32 33 1 32 36 1 34 35 1 34 36 1', '36 38 H 15.49 -10.06 C 10.67 -15.32 C 15.75 -17.63 C 21.64 -13.03 C 19.22 -10.36 C 17.79 -9.43 O 11.87 -13.23 O 13.81 -16.17 O 20.40 -10.98 O 17.02 -3.52 O 16.68 -14.62 C 13.08 -12.48 C 16.68 -5.99 C 13.08 -11.06 C 15.49 -8.23 C 14.36 -5.99 C 14.28 -14.62 C 14.28 -10.36 C 16.68 -8.96 C 15.49 -13.93 O 13.08 -15.32 O 14.79 -4.66 O 16.04 -15.22 O 19.22 -13.13 C 11.87 -14.62 C 15.20 -16.34 C 20.40 -12.38 C 16.20 -4.66 C 15.49 -6.82 C 14.28 -13.23 C 17.98 -11.06 C 16.68 -13.23 C 17.98 -12.48 C 15.49 -11.06 C 16.68 -10.36 C 15.49 -12.48 34 1 -1 2 25 1 3 26 1 4 27 1 31 5 -2 35 6 -2 7 25 2 8 26 2 9 27 2 10 28 2 32 11 -1 12 14 1 12 30 2 13 28 1 13 29 2 14 18 1 15 19 1 15 29 1 16 22 1 16 29 1 17 21 1 17 30 1 18 34 1 19 35 1 20 23 1 36 20 -2 21 25 1 22 28 1 23 26 1 24 27 1 33 24 -2 30 36 1 31 33 1 31 35 1 32 33 1 32 36 1 34 35 1 34 36 1', '36 38 H 15.49 -10.06 C:21 10.67 -15.32 C:21 15.75 -17.63 C:21 21.64 -13.03 C:11 19.22 -10.36 C:18 17.79 -9.43 O 11.87 -13.23 O 13.81 -16.17 O 20.40 -10.98 O 17.02 -3.52 O 16.68 -14.62 C:130 13.08 -12.48 C:116 16.68 -5.99 C:26 13.08 -11.06 C:22 15.49 -8.23 C:73 14.36 -5.99 C:67 14.28 -14.62 C:18 14.28 -10.36 C:36 16.68 -8.96 C:64 15.49 -13.93 O 13.08 -15.32 O 14.79 -4.66 O 16.04 -15.22 O 19.22 -13.13 C:169 11.87 -14.62 C:169 15.20 -16.34 C:170 20.40 -12.38 C:174 16.20 -4.66 C:172 15.49 -6.82 C:137 14.28 -13.23 C:40 17.98 -11.06 C:78 16.68 -13.23 C:77 17.98 -12.48 C:45 15.49 -11.06 C:39 16.68 -10.36 C:47 15.49 -12.48 34 1 -1 2 25 1 3 26 1 4 27 1 31 5 -2 35 6 -2 7 25 2 8 26 2 9 27 2 10 28 2 32 11 -1 12 14 1 12 30 2 13 28 1 13 29 2 14 18 1 15 19 1 15 29 1 16 22 1 16 29 1 17 21 1 17 30 1 18 34 1 19 35 1 20 23 1 36 20 -2 21 25 1 22 28 1 23 26 1 24 27 1 33 24 -2 30 36 1 31 33 1 31 35 1 32 33 1 32 36 1 34 35 1 34 36 1', 'C26H36O9', 492.281, 'C', 'ph46_1249_13', 3079, '', '', '1', 1, NULL, NULL),
(11941, 'Thymonin acetonide', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]14[CH2:1][CH2:2][CH:3]=[C:4]3[CH2:18]O[C@@:18001]([CH3:18003])([CH3:18002])O[C@H:6]([CH2:7][C@@H:8]([CH3:17])[C@:9]1([CH3:20])[CH2:11][CH2:12][C:13]2=[CH:14][C:15](=O)O[CH2:16]2)[C@@:5]34[CH2:19]O', '[H][C@@]14CCC=C3CO[C@@](C)(C)O[C@H](C[C@@H](C)[C@]1(C)CCC2=CC(=O)OC2)[C@@]34CO', '[H][C@@:45]14[CH2:18][CH2:26][CH:128]=[C:141]3[CH2:68]O[C@@:102]([CH3:24])([CH3:24])O[C@H:75]([CH2:35][C@@H:36]([CH3:16])[C@:38]1([CH3:18])[CH2:35][CH2:22][C:170]2=[CH:115][C:174](=O)O[CH2:73]2)[C@@:46]34[CH2:65]O', '29 32 H 15.52 -10.47 C:17 19.28 -10.78 C:18003 16.13 -17.36 C:18002 17.69 -16.71 C:20 17.85 -9.83 O 17.05 -3.81 O 15.52 -15.28 C:3 13.02 -12.96 C:14 16.68 -6.31 C:2 13.02 -11.51 C:19 15.52 -14.41 C:12 15.52 -8.59 C:16 14.37 -6.31 C:18 14.08 -15.09 C:1 14.29 -10.78 C:11 16.76 -9.34 C:7 18.04 -12.96 O 14.80 -4.95 O 15.06 -16.12 O 17.27 -14.82 C:15 16.23 -4.95 C:13 15.52 -7.15 C:4 14.29 -13.68 C:8 18.04 -11.51 C:6 16.76 -13.68 C:18001 16.48 -16.01 C:10 15.52 -11.51 C:9 16.76 -10.78 C:5 15.52 -12.96 27 1 -1 24 2 -2 26 3 -1 26 4 -2 28 5 -2 6 21 2 7 11 1 8 10 1 8 23 2 9 21 1 9 22 2 10 15 1 29 11 -2 12 16 1 12 22 1 13 18 1 13 22 1 14 19 1 14 23 1 15 27 1 16 28 1 17 24 1 17 25 1 18 21 1 19 26 1 25 20 -1 20 26 1 23 29 1 24 28 1 25 29 1 27 28 1 27 29 1', '29 32 H 15.52 -10.47 C 19.28 -10.78 C 16.13 -17.36 C 17.69 -16.71 C 17.85 -9.83 O 17.05 -3.81 O 15.52 -15.28 C 13.02 -12.96 C 16.68 -6.31 C 13.02 -11.51 C 15.52 -14.41 C 15.52 -8.59 C 14.37 -6.31 C 14.08 -15.09 C 14.29 -10.78 C 16.76 -9.34 C 18.04 -12.96 O 14.80 -4.95 O 15.06 -16.12 O 17.27 -14.82 C 16.23 -4.95 C 15.52 -7.15 C 14.29 -13.68 C 18.04 -11.51 C 16.76 -13.68 C 16.48 -16.01 C 15.52 -11.51 C 16.76 -10.78 C 15.52 -12.96 27 1 -1 24 2 -2 26 3 -1 26 4 -2 28 5 -2 6 21 2 7 11 1 8 10 1 8 23 2 9 21 1 9 22 2 10 15 1 29 11 -2 12 16 1 12 22 1 13 18 1 13 22 1 14 19 1 14 23 1 15 27 1 16 28 1 17 24 1 17 25 1 18 21 1 19 26 1 25 20 -1 20 26 1 23 29 1 24 28 1 25 29 1 27 28 1 27 29 1', '29 32 H 15.52 -10.47 C:16 19.28 -10.78 C:24 16.13 -17.36 C:24 17.69 -16.71 C:18 17.85 -9.83 O 17.05 -3.81 O 15.52 -15.28 C:128 13.02 -12.96 C:115 16.68 -6.31 C:26 13.02 -11.51 C:65 15.52 -14.41 C:22 15.52 -8.59 C:73 14.37 -6.31 C:68 14.08 -15.09 C:18 14.29 -10.78 C:35 16.76 -9.34 C:35 18.04 -12.96 O 14.80 -4.95 O 15.06 -16.12 O 17.27 -14.82 C:174 16.23 -4.95 C:170 15.52 -7.15 C:141 14.29 -13.68 C:36 18.04 -11.51 C:75 16.76 -13.68 C:102 16.48 -16.01 C:45 15.52 -11.51 C:38 16.76 -10.78 C:46 15.52 -12.96 27 1 -1 24 2 -2 26 3 -1 26 4 -2 28 5 -2 6 21 2 7 11 1 8 10 1 8 23 2 9 21 1 9 22 2 10 15 1 29 11 -2 12 16 1 12 22 1 13 18 1 13 22 1 14 19 1 14 23 1 15 27 1 16 28 1 17 24 1 17 25 1 18 21 1 19 26 1 25 20 -1 20 26 1 23 29 1 24 28 1 25 29 1 27 28 1 27 29 1', 'C23H34O5', 390.251, 'C', 'ph46_1249_15', 3079, '', '', '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
(11957, '', '3R*,4R*,-Dihydroxyclerod-13E-en-15-al', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:18])(O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH:15]=O', '[H][C@]12CC[C@@H](O)[C@](C)(O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CC=O', '[H][C@:41]12[CH2:17][CH2:31][C@@H:76](O)[C@:76]([CH3:17])(O)[C@:42]1([CH3:22])[CH2:33][CH2:27][C@@H:36]([CH3:16])[C@:39]2([CH3:18])[CH2:37][CH2:35][C:163]([CH3:17])=[CH:128][CH:190]=O', '24 25 H 16.13 -11.45 C:16 14.90 -7.56 C:17 19.82 -11.76 C:18 15.59 -15.81 C:20 18.42 -10.81 C:19 16.13 -15.32 O 16.13 -5.39 O 12.47 -14.60 O 14.19 -15.81 C:15 17.35 -6.12 C:14 17.35 -7.56 C:12 16.13 -9.63 C:7 18.60 -13.90 C:2 13.68 -12.48 C:11 17.35 -10.32 C:1 14.90 -11.76 C:6 17.35 -14.60 C:13 16.13 -8.25 C:8 18.60 -12.48 C:3 13.68 -13.90 C:4 14.90 -14.60 C:10 16.13 -12.48 C:9 17.35 -11.76 C:5 16.13 -13.90 22 1 -1 2 18 1 19 3 -2 21 4 -2 23 5 -2 24 6 -2 7 10 2 20 8 -2 21 9 -1 10 11 1 11 18 2 12 15 1 12 18 1 13 17 1 13 19 1 14 16 1 14 20 1 15 23 1 16 22 1 17 24 1 19 23 1 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 16.13 -11.45 C 14.90 -7.56 C 19.82 -11.76 C 15.59 -15.81 C 18.42 -10.81 C 16.13 -15.32 O 16.13 -5.39 O 12.47 -14.60 O 14.19 -15.81 C 17.35 -6.12 C 17.35 -7.56 C 16.13 -9.63 C 18.60 -13.90 C 13.68 -12.48 C 17.35 -10.32 C 14.90 -11.76 C 17.35 -14.60 C 16.13 -8.25 C 18.60 -12.48 C 13.68 -13.90 C 14.90 -14.60 C 16.13 -12.48 C 17.35 -11.76 C 16.13 -13.90 22 1 -1 2 18 1 19 3 -2 21 4 -2 23 5 -2 24 6 -2 7 10 2 20 8 -2 21 9 -1 10 11 1 11 18 2 12 15 1 12 18 1 13 17 1 13 19 1 14 16 1 14 20 1 15 23 1 16 22 1 17 24 1 19 23 1 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 16.13 -11.45 C:17 14.90 -7.56 C:16 19.82 -11.76 C:17 15.59 -15.81 C:18 18.42 -10.81 C:22 16.13 -15.32 O 16.13 -5.39 O 12.47 -14.60 O 14.19 -15.81 C:190 17.35 -6.12 C:128 17.35 -7.56 C:35 16.13 -9.63 C:27 18.60 -13.90 C:31 13.68 -12.48 C:37 17.35 -10.32 C:17 14.90 -11.76 C:33 17.35 -14.60 C:163 16.13 -8.25 C:36 18.60 -12.48 C:76 13.68 -13.90 C:76 14.90 -14.60 C:41 16.13 -12.48 C:39 17.35 -11.76 C:42 16.13 -13.90 22 1 -1 2 18 1 19 3 -2 21 4 -2 23 5 -2 24 6 -2 7 10 2 20 8 -2 21 9 -1 10 11 1 11 18 2 12 15 1 12 18 1 13 17 1 13 19 1 14 16 1 14 20 1 15 23 1 16 22 1 17 24 1 19 23 1 20 21 1 21 24 1 22 23 1 22 24 1', 'C20H34O3', 322.22, 'B', 'ph40_209_2', 3084, '', '', '1', 1, NULL, NULL),
(11958, '', '3R*,4R*,-Dihydroxyclerod-13Z-en-15-al', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:18])(O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH:15]=O', '[H][C@]12CC[C@@H](O)[C@](C)(O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CC=O', '[H][C@:41]12[CH2:17][CH2:31][C@@H:77](O)[C@:76]([CH3:17])(O)[C@:42]1([CH3:22])[CH2:33][CH2:27][C@@H:36]([CH3:16])[C@:39]2([CH3:18])[CH2:38][CH2:27][C:164]([CH3:25])=[CH:128][CH:189]=O', '24 25 H 16.18 -10.32 C:16 14.92 -6.45 C:17 19.82 -10.62 C:18 15.62 -14.67 C:20 18.42 -9.68 C:19 16.18 -14.18 O 18.60 -8.61 O 12.44 -13.47 O 14.18 -14.67 C:15 18.60 -7.22 C:14 17.37 -6.45 C:12 16.18 -8.49 C:7 18.60 -12.77 C:2 13.65 -11.37 C:11 17.37 -9.18 C:1 14.92 -10.62 C:6 17.37 -13.47 C:13 16.18 -7.13 C:8 18.60 -11.37 C:3 13.65 -12.77 C:4 14.92 -13.47 C:10 16.18 -11.37 C:9 17.37 -10.62 C:5 16.18 -12.77 22 1 -1 2 18 1 19 3 -2 21 4 -2 23 5 -2 24 6 -2 7 10 2 20 8 -2 21 9 -1 10 11 1 11 18 2 12 15 1 12 18 1 13 17 1 13 19 1 14 16 1 14 20 1 15 23 1 16 22 1 17 24 1 19 23 1 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 16.18 -10.32 C 14.92 -6.45 C 19.82 -10.62 C 15.62 -14.67 C 18.42 -9.68 C 16.18 -14.18 O 18.60 -8.61 O 12.44 -13.47 O 14.18 -14.67 C 18.60 -7.22 C 17.37 -6.45 C 16.18 -8.49 C 18.60 -12.77 C 13.65 -11.37 C 17.37 -9.18 C 14.92 -10.62 C 17.37 -13.47 C 16.18 -7.13 C 18.60 -11.37 C 13.65 -12.77 C 14.92 -13.47 C 16.18 -11.37 C 17.37 -10.62 C 16.18 -12.77 22 1 -1 2 18 1 19 3 -2 21 4 -2 23 5 -2 24 6 -2 7 10 2 20 8 -2 21 9 -1 10 11 1 11 18 2 12 15 1 12 18 1 13 17 1 13 19 1 14 16 1 14 20 1 15 23 1 16 22 1 17 24 1 19 23 1 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 16.18 -10.32 C:25 14.92 -6.45 C:16 19.82 -10.62 C:17 15.62 -14.67 C:18 18.42 -9.68 C:22 16.18 -14.18 O 18.60 -8.61 O 12.44 -13.47 O 14.18 -14.67 C:189 18.60 -7.22 C:128 17.37 -6.45 C:27 16.18 -8.49 C:27 18.60 -12.77 C:31 13.65 -11.37 C:38 17.37 -9.18 C:17 14.92 -10.62 C:33 17.37 -13.47 C:164 16.18 -7.13 C:36 18.60 -11.37 C:77 13.65 -12.77 C:76 14.92 -13.47 C:41 16.18 -11.37 C:39 17.37 -10.62 C:42 16.18 -12.77 22 1 -1 2 18 1 19 3 -2 21 4 -2 23 5 -2 24 6 -2 7 10 2 20 8 -2 21 9 -1 10 11 1 11 18 2 12 15 1 12 18 1 13 17 1 13 19 1 14 16 1 14 20 1 15 23 1 16 22 1 17 24 1 19 23 1 20 21 1 21 24 1 22 23 1 22 24 1', 'C20H34O3', 322.22, 'B+B', 'ph40_209_3', 3084, '', '', '1', 1, NULL, NULL),
(11959, '', '3δ-Hydroxy-5(10),13E-halimadien-15-al', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:16][C:13](=[CH:14][CH:15]=O)[CH2:12][CH2:11][C@:9]1([CH3:20])[C:10]2=[C:5]([CH2:6][CH2:7][C@H:8]1[CH3:17])[C@@:4]([CH3:18])([CH3:19])[CH:3](O)[CH2:2][CH2:1]2', 'CC(=CC=O)CC[C@]1(C)C2=C(CC[C@H]1C)[C@@](C)(C)C(O)CC2', '[CH3:17][C:163](=[CH:127][CH:190]=O)[CH2:36][CH2:34][C@:41]1([CH3:21])[C:131]2=[C:138]([CH2:26][CH2:27][C@H:34]1[CH3:16])[C@@:40]([CH3:25])([CH3:20])[CH:76](O)[CH2:28][CH2:25]2', '22 23 C:16 14.89 -7.58 C:17 19.75 -11.73 C:18 15.58 -15.74 C:19 14.19 -15.74 C:20 18.38 -10.79 O 16.11 -5.44 O 12.49 -14.54 C:15 17.32 -6.15 C:14 17.32 -7.58 C:6 17.32 -14.54 C:1 14.89 -11.73 C:12 16.11 -9.63 C:7 18.54 -13.85 C:2 13.69 -12.44 C:11 17.32 -10.31 C:13 16.11 -8.26 C:5 16.11 -13.85 C:10 16.11 -12.44 C:8 18.54 -12.44 C:3 13.69 -13.85 C:4 14.89 -14.54 C:9 17.32 -11.73 1 16 1 19 2 -2 21 3 -2 21 4 -1 22 5 -2 6 8 2 7 20 1 8 9 1 9 16 2 10 13 1 10 17 1 11 14 1 11 18 1 12 15 1 12 16 1 13 19 1 14 20 1 15 22 1 17 18 2 17 21 1 18 22 1 19 22 1 20 21 1', '22 23 C 14.89 -7.58 C 19.75 -11.73 C 15.58 -15.74 C 14.19 -15.74 C 18.38 -10.79 O 16.11 -5.44 O 12.49 -14.54 C 17.32 -6.15 C 17.32 -7.58 C 17.32 -14.54 C 14.89 -11.73 C 16.11 -9.63 C 18.54 -13.85 C 13.69 -12.44 C 17.32 -10.31 C 16.11 -8.26 C 16.11 -13.85 C 16.11 -12.44 C 18.54 -12.44 C 13.69 -13.85 C 14.89 -14.54 C 17.32 -11.73 1 16 1 19 2 -2 21 3 -2 21 4 -1 22 5 -2 6 8 2 7 20 1 8 9 1 9 16 2 10 13 1 10 17 1 11 14 1 11 18 1 12 15 1 12 16 1 13 19 1 14 20 1 15 22 1 17 18 2 17 21 1 18 22 1 19 22 1 20 21 1', '22 23 C:17 14.89 -7.58 C:16 19.75 -11.73 C:25 15.58 -15.74 C:20 14.19 -15.74 C:21 18.38 -10.79 O 16.11 -5.44 O 12.49 -14.54 C:190 17.32 -6.15 C:127 17.32 -7.58 C:26 17.32 -14.54 C:25 14.89 -11.73 C:36 16.11 -9.63 C:27 18.54 -13.85 C:28 13.69 -12.44 C:34 17.32 -10.31 C:163 16.11 -8.26 C:138 16.11 -13.85 C:131 16.11 -12.44 C:34 18.54 -12.44 C:76 13.69 -13.85 C:40 14.89 -14.54 C:41 17.32 -11.73 1 16 1 19 2 -2 21 3 -2 21 4 -1 22 5 -2 6 8 2 7 20 1 8 9 1 9 16 2 10 13 1 10 17 1 11 14 1 11 18 1 12 15 1 12 16 1 13 19 1 14 20 1 15 22 1 17 18 2 17 21 1 18 22 1 19 22 1 20 21 1', 'C20H32O2', 304.213, 'B', 'ph40_209_4', 3084, '', '', '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
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