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
(20420, '', '(7S,10S)-3,12-dihydroxycalamenene', 'Terpenoids', 'Sesquiterpenoids', 'Calamenenes', '[CH3:14][c:4]1[cH:5][c:6]2[c:1]([cH:2][c:3]1O)[C@@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH3:13])[CH2:12]O', 'Cc1cc2c(cc1O)[C@@H](C)CC[C@H]2C(C)CO', '[CH3:23][c:121]1[cH:130][c:126]2[c:142]([cH:115][c:152]1O)[C@@H:32]([CH3:16])[CH2:29][CH2:20][C@H:38]2[CH:39]([CH3:13])[CH2:67]O', '17 18 C:14 14.22 -12.47 C:15 19.10 -8.26 C:13 20.32 -14.59 O 16.68 -13.91 O 14.27 -9.70 C:5 16.68 -12.47 C:2 16.68 -9.70 C:12 17.89 -14.59 C:9 20.32 -10.37 C:8 20.32 -11.76 C:4 15.44 -11.76 C:3 15.44 -10.37 C:1 17.89 -10.37 C:6 17.89 -11.76 C:10 19.10 -9.70 C:11 19.10 -13.91 C:7 19.10 -12.47 1 11 1 15 2 -1 3 16 1 4 8 1 5 12 1 6 11 2 6 14 1 7 12 2 7 13 1 8 16 1 9 10 1 9 15 1 10 17 1 11 12 1 13 14 2 13 15 1 14 17 1 17 16 -1', '17 18 C 14.22 -12.47 C 19.10 -8.26 C 20.32 -14.59 O 16.68 -13.91 O 14.27 -9.70 C 16.68 -12.47 C 16.68 -9.70 C 17.89 -14.59 C 20.32 -10.37 C 20.32 -11.76 C 15.44 -11.76 C 15.44 -10.37 C 17.89 -10.37 C 17.89 -11.76 C 19.10 -9.70 C 19.10 -13.91 C 19.10 -12.47 1 11 1 15 2 -1 3 16 1 4 8 1 5 12 1 6 11 2 6 14 1 7 12 2 7 13 1 8 16 1 9 10 1 9 15 1 10 17 1 11 12 1 13 14 2 13 15 1 14 17 1 17 16 -1', '17 18 C:23 14.22 -12.47 C:16 19.10 -8.26 C:13 20.32 -14.59 O 16.68 -13.91 O 14.27 -9.70 C:130 16.68 -12.47 C:115 16.68 -9.70 C:67 17.89 -14.59 C:29 20.32 -10.37 C:20 20.32 -11.76 C:121 15.44 -11.76 C:152 15.44 -10.37 C:142 17.89 -10.37 C:126 17.89 -11.76 C:32 19.10 -9.70 C:39 19.10 -13.91 C:38 19.10 -12.47 1 11 1 15 2 -1 3 16 1 4 8 1 5 12 1 6 11 2 6 14 1 7 12 2 7 13 1 8 16 1 9 10 1 9 15 1 10 17 1 11 12 1 13 14 2 13 15 1 14 17 1 17 16 -1', 'C15H22O2', 234.159, '', 'ph67_1964_3', 5121, 'Solvent not indicated', '', '1', 55, NULL, NULL),
(20421, '', '3,12-Dihydroxycadalene', 'Terpenoids', 'Sesquiterpenoids', 'Calamenenes', '[CH3:14][c:4]2[cH:5][c:6]1[c:7]([CH:11]([CH3:13])[CH2:12]O)[cH:8][cH:9][c:10]([CH3:15])[c:1]1[cH:2][c:3]2O', 'Cc2cc1c(C(C)CO)ccc(C)c1cc2O', '[CH3:20][c:128]2[cH:126][c:131]1[c:139]([CH:38]([CH3:18])[CH2:69]O)[cH:121][cH:127][c:128]([CH3:17])[c:135]1[cH:107][c:155]2O', '17 18 C:14 14.22 -12.47 C:15 19.10 -8.26 C:13 20.32 -14.59 O 16.68 -13.91 O 14.27 -9.70 C:9 20.32 -10.37 C:8 20.32 -11.76 C:5 16.68 -12.47 C:2 16.68 -9.70 C:12 17.89 -14.59 C:4 15.44 -11.76 C:10 19.10 -9.70 C:3 15.44 -10.37 C:7 19.10 -12.47 C:1 17.89 -10.37 C:6 17.89 -11.76 C:11 19.10 -13.91 1 11 1 2 12 1 3 17 1 4 10 1 5 13 1 6 7 1 6 12 2 7 14 2 8 11 2 8 16 1 9 13 2 9 15 1 10 17 1 11 13 1 12 15 1 14 16 1 14 17 1 15 16 2', '17 18 C 14.22 -12.47 C 19.10 -8.26 C 20.32 -14.59 O 16.68 -13.91 O 14.27 -9.70 C 20.32 -10.37 C 20.32 -11.76 C 16.68 -12.47 C 16.68 -9.70 C 17.89 -14.59 C 15.44 -11.76 C 19.10 -9.70 C 15.44 -10.37 C 19.10 -12.47 C 17.89 -10.37 C 17.89 -11.76 C 19.10 -13.91 1 11 1 2 12 1 3 17 1 4 10 1 5 13 1 6 7 1 6 12 2 7 14 2 8 11 2 8 16 1 9 13 2 9 15 1 10 17 1 11 13 1 12 15 1 14 16 1 14 17 1 15 16 2', '17 18 C:20 14.22 -12.47 C:17 19.10 -8.26 C:18 20.32 -14.59 O 16.68 -13.91 O 14.27 -9.70 C:127 20.32 -10.37 C:121 20.32 -11.76 C:126 16.68 -12.47 C:107 16.68 -9.70 C:69 17.89 -14.59 C:128 15.44 -11.76 C:128 19.10 -9.70 C:155 15.44 -10.37 C:139 19.10 -12.47 C:135 17.89 -10.37 C:131 17.89 -11.76 C:38 19.10 -13.91 1 11 1 2 12 1 3 17 1 4 10 1 5 13 1 6 7 1 6 12 2 7 14 2 8 11 2 8 16 1 9 13 2 9 15 1 10 17 1 11 13 1 12 15 1 14 16 1 14 17 1 15 16 2', 'C15H18O2', 230.159, '', 'ph67_1964_4', 5121, 'Solvent not indicated', '', '1', 55, NULL, NULL),
(20422, '', '3,11,12-Trihydroxycadalene', 'Terpenoids', 'Sesquiterpenoids', 'Calamenenes', '[CH3:14][c:4]2[cH:5][c:6]1[c:7]([C:11]([CH3:13])(O)[CH2:12]O)[cH:8][cH:9][c:10]([CH3:15])[c:1]1[cH:2][c:3]2O', 'Cc2cc1c(C(C)(O)CO)ccc(C)c1cc2O', '[CH3:19][c:125]2[cH:129][c:134]1[c:139]([C:75]([CH3:27])(O)[CH2:69]O)[cH:121][cH:125][c:126]([CH3:17])[c:131]1[cH:106][c:153]2O', '18 19 C:14 14.22 -12.14 C:15 19.10 -7.93 C:13 20.32 -14.26 O 16.68 -13.58 O 14.27 -9.37 O 19.10 -14.98 C:9 20.32 -10.04 C:8 20.32 -11.43 C:5 16.68 -12.14 C:2 16.68 -9.37 C:12 17.89 -14.26 C:4 15.44 -11.43 C:10 19.10 -9.37 C:3 15.44 -10.04 C:7 19.10 -12.14 C:1 17.89 -10.04 C:6 17.89 -11.43 C:11 19.10 -13.58 1 12 1 2 13 1 3 18 1 4 11 1 5 14 1 6 18 1 7 8 1 7 13 2 8 15 2 9 12 2 9 17 1 10 14 2 10 16 1 11 18 1 12 14 1 13 16 1 15 17 1 15 18 1 16 17 2', '18 19 C 14.22 -12.14 C 19.10 -7.93 C 20.32 -14.26 O 16.68 -13.58 O 14.27 -9.37 O 19.10 -14.98 C 20.32 -10.04 C 20.32 -11.43 C 16.68 -12.14 C 16.68 -9.37 C 17.89 -14.26 C 15.44 -11.43 C 19.10 -9.37 C 15.44 -10.04 C 19.10 -12.14 C 17.89 -10.04 C 17.89 -11.43 C 19.10 -13.58 1 12 1 2 13 1 3 18 1 4 11 1 5 14 1 6 18 1 7 8 1 7 13 2 8 15 2 9 12 2 9 17 1 10 14 2 10 16 1 11 18 1 12 14 1 13 16 1 15 17 1 15 18 1 16 17 2', '18 19 C:19 14.22 -12.14 C:17 19.10 -7.93 C:27 20.32 -14.26 O 16.68 -13.58 O 14.27 -9.37 O 19.10 -14.98 C:125 20.32 -10.04 C:121 20.32 -11.43 C:129 16.68 -12.14 C:106 16.68 -9.37 C:69 17.89 -14.26 C:125 15.44 -11.43 C:126 19.10 -9.37 C:153 15.44 -10.04 C:139 19.10 -12.14 C:131 17.89 -10.04 C:134 17.89 -11.43 C:75 19.10 -13.58 1 12 1 2 13 1 3 18 1 4 11 1 5 14 1 6 18 1 7 8 1 7 13 2 8 15 2 9 12 2 9 17 1 10 14 2 10 16 1 11 18 1 12 14 1 13 16 1 15 17 1 15 18 1 16 17 2', 'C15H18O3', 246.159, '', 'ph67_1964_5', 5121, 'Solvent not indicated', '', '1', 55, NULL, NULL),
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(20437, 'Sonchifoliasolide D', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]23[CH2:8][C@H:9](O)[C@H:10]([CH3:14])[C@:1]1([H])[C:2](=O)[CH:3]=[C:4]([CH3:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11]3=[CH2:13]', '[H][C@@]23C[C@H](O)[C@H](C)[C@]1([H])C(=O)C=C(C)[C@]1([H])[C@@]2([H])OC(=O)C3=C', '[H][C@@:42]23[CH2:32][C@H:71](O)[C@H:40]([CH3:14])[C@:46]1([H])[C:210](=O)[CH:133]=[C:179]([CH3:19])[C@:53]1([H])[C@@:82]2([H])O[C:170](=O)[C:139]3=[CH2:121]', '23 25 H 18.46 -11.11 H 17.60 -11.14 H 16.92 -8.45 H 16.11 -11.87 C:13 20.60 -13.86 C:15 13.85 -12.05 C:14 18.03 -7.24 O 15.45 -7.15 O 18.03 -15.73 O 20.49 -8.52 C:3 14.26 -9.46 C:8 19.73 -10.86 O 16.86 -13.41 C:4 14.75 -10.86 C:11 19.21 -13.41 C:2 15.45 -8.55 C:12 18.03 -14.25 C:10 18.03 -8.73 C:9 19.39 -9.39 C:7 18.78 -12.01 C:6 17.30 -12.01 C:1 16.70 -9.39 C:5 16.37 -10.86 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 15 2 6 14 1 18 7 -1 8 16 2 9 17 2 19 10 -1 11 14 2 11 16 1 12 19 1 12 20 1 13 17 1 13 21 1 14 23 1 15 17 1 15 20 1 16 22 1 18 19 1 18 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 18.46 -11.11 H 17.60 -11.14 H 16.92 -8.45 H 16.11 -11.87 C 20.60 -13.86 C 13.85 -12.05 C 18.03 -7.24 O 15.45 -7.15 O 18.03 -15.73 O 20.49 -8.52 C 14.26 -9.46 C 19.73 -10.86 O 16.86 -13.41 C 14.75 -10.86 C 19.21 -13.41 C 15.45 -8.55 C 18.03 -14.25 C 18.03 -8.73 C 19.39 -9.39 C 18.78 -12.01 C 17.30 -12.01 C 16.70 -9.39 C 16.37 -10.86 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 15 2 6 14 1 18 7 -1 8 16 2 9 17 2 19 10 -1 11 14 2 11 16 1 12 19 1 12 20 1 13 17 1 13 21 1 14 23 1 15 17 1 15 20 1 16 22 1 18 19 1 18 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 18.46 -11.11 H 17.60 -11.14 H 16.92 -8.45 H 16.11 -11.87 C:121 20.60 -13.86 C:19 13.85 -12.05 C:14 18.03 -7.24 O 15.45 -7.15 O 18.03 -15.73 O 20.49 -8.52 C:133 14.26 -9.46 C:32 19.73 -10.86 O 16.86 -13.41 C:179 14.75 -10.86 C:139 19.21 -13.41 C:210 15.45 -8.55 C:170 18.03 -14.25 C:40 18.03 -8.73 C:71 19.39 -9.39 C:42 18.78 -12.01 C:82 17.30 -12.01 C:46 16.70 -9.39 C:53 16.37 -10.86 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 15 2 6 14 1 18 7 -1 8 16 2 9 17 2 19 10 -1 11 14 2 11 16 1 12 19 1 12 20 1 13 17 1 13 21 1 14 23 1 15 17 1 15 20 1 16 22 1 18 19 1 18 22 1 20 21 1 21 23 1 22 23 1', 'C15H18O4', 262.19, 'C', 'jan08_1087_1', 5129, '', '', '1', 55, 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
(20438, 'Sonchifoliasolide E', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]23[CH2:8][C@H:9](O)[C@H:10]([CH3:14])[C@:1]1([H])[C:2](=O)[CH:3]=[C:4]([CH3:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C@H:11]3[CH3:13]', '[H][C@@]23C[C@H](O)[C@H](C)[C@]1([H])C(=O)C=C(C)[C@]1([H])[C@@]2([H])OC(=O)[C@H]3C', '[H][C@@:41]23[CH2:33][C@H:71](O)[C@H:41]([CH3:14])[C@:47]1([H])[C:211](=O)[CH:132]=[C:180]([CH3:17])[C@:53]1([H])[C@@:82]2([H])O[C:178](=O)[C@H:44]3[CH3:13]', '23 25 H 18.46 -11.11 H 16.92 -8.45 H 17.60 -11.14 H 16.11 -11.87 C:15 13.85 -12.05 C:13 20.60 -13.86 C:14 18.03 -7.24 O 15.45 -7.15 O 18.03 -15.73 O 20.49 -8.52 C:3 14.26 -9.46 C:8 19.73 -10.86 O 16.86 -13.41 C:4 14.75 -10.86 C:2 15.45 -8.55 C:12 18.03 -14.25 C:11 19.21 -13.41 C:10 18.03 -8.73 C:9 19.39 -9.39 C:7 18.78 -12.01 C:1 16.70 -9.39 C:6 17.30 -12.01 C:5 16.37 -10.86 20 1 -2 21 2 -2 22 3 -1 23 4 -2 5 14 1 17 6 -2 18 7 -1 8 15 2 9 16 2 19 10 -1 11 14 2 11 15 1 12 19 1 12 20 1 13 16 1 13 22 1 14 23 1 15 21 1 16 17 1 17 20 1 18 19 1 18 21 1 20 22 1 21 23 1 22 23 1', '23 25 H 18.46 -11.11 H 16.92 -8.45 H 17.60 -11.14 H 16.11 -11.87 C 13.85 -12.05 C 20.60 -13.86 C 18.03 -7.24 O 15.45 -7.15 O 18.03 -15.73 O 20.49 -8.52 C 14.26 -9.46 C 19.73 -10.86 O 16.86 -13.41 C 14.75 -10.86 C 15.45 -8.55 C 18.03 -14.25 C 19.21 -13.41 C 18.03 -8.73 C 19.39 -9.39 C 18.78 -12.01 C 16.70 -9.39 C 17.30 -12.01 C 16.37 -10.86 20 1 -2 21 2 -2 22 3 -1 23 4 -2 5 14 1 17 6 -2 18 7 -1 8 15 2 9 16 2 19 10 -1 11 14 2 11 15 1 12 19 1 12 20 1 13 16 1 13 22 1 14 23 1 15 21 1 16 17 1 17 20 1 18 19 1 18 21 1 20 22 1 21 23 1 22 23 1', '23 25 H 18.46 -11.11 H 16.92 -8.45 H 17.60 -11.14 H 16.11 -11.87 C:17 13.85 -12.05 C:13 20.60 -13.86 C:14 18.03 -7.24 O 15.45 -7.15 O 18.03 -15.73 O 20.49 -8.52 C:132 14.26 -9.46 C:33 19.73 -10.86 O 16.86 -13.41 C:180 14.75 -10.86 C:211 15.45 -8.55 C:178 18.03 -14.25 C:44 19.21 -13.41 C:41 18.03 -8.73 C:71 19.39 -9.39 C:41 18.78 -12.01 C:47 16.70 -9.39 C:82 17.30 -12.01 C:53 16.37 -10.86 20 1 -2 21 2 -2 22 3 -1 23 4 -2 5 14 1 17 6 -2 18 7 -1 8 15 2 9 16 2 19 10 -1 11 14 2 11 15 1 12 19 1 12 20 1 13 16 1 13 22 1 14 23 1 15 21 1 16 17 1 17 20 1 18 19 1 18 21 1 20 22 1 21 23 1 22 23 1', 'C15H20O4', 264.19, 'C', 'jan08_1087_2', 5129, '', '', '1', 55, NULL, NULL),
(20439, 'Sonchifoliasolide F', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]23[CH2:8][CH2:9][C@H:10]([CH3:14])[C@:1]1([H])[C:2](=O)[CH:3]=[C:4]([CH2:15]O)[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11]3=[CH2:13]', '[H][C@@]23CC[C@H](C)[C@]1([H])C(=O)C=C(CO)[C@]1([H])[C@@]2([H])OC(=O)C3=C', '[H][C@@:53]23[CH2:22][CH2:35][C@H:30]([CH3:20])[C@:56]1([H])[C:206](=O)[CH:129]=[C:175]([CH2:62]O)[C@:50]1([H])[C@@:86]2([H])O[C:170](=O)[C:139]3=[CH2:119]', '23 25 H 19.18 -11.12 H 18.32 -11.15 H 17.65 -8.45 H 16.84 -11.89 C:13 21.32 -13.87 C:14 18.75 -7.24 O 16.18 -7.15 O 18.75 -15.74 O 13.19 -11.89 C:3 14.99 -9.47 C:15 14.58 -12.06 C:9 20.11 -9.40 C:8 20.45 -10.87 O 17.59 -13.42 C:11 19.93 -13.42 C:2 16.18 -8.55 C:12 18.75 -14.26 C:4 15.48 -10.87 C:10 18.75 -8.73 C:7 19.50 -12.02 C:6 18.03 -12.02 C:1 17.43 -9.40 C:5 17.10 -10.87 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 15 2 19 6 -1 7 16 2 8 17 2 9 11 1 10 16 1 10 18 2 11 18 1 12 13 1 12 19 1 13 20 1 14 17 1 14 21 1 15 17 1 15 20 1 16 22 1 18 23 1 19 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 19.18 -11.12 H 18.32 -11.15 H 17.65 -8.45 H 16.84 -11.89 C 21.32 -13.87 C 18.75 -7.24 O 16.18 -7.15 O 18.75 -15.74 O 13.19 -11.89 C 14.99 -9.47 C 14.58 -12.06 C 20.11 -9.40 C 20.45 -10.87 O 17.59 -13.42 C 19.93 -13.42 C 16.18 -8.55 C 18.75 -14.26 C 15.48 -10.87 C 18.75 -8.73 C 19.50 -12.02 C 18.03 -12.02 C 17.43 -9.40 C 17.10 -10.87 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 15 2 19 6 -1 7 16 2 8 17 2 9 11 1 10 16 1 10 18 2 11 18 1 12 13 1 12 19 1 13 20 1 14 17 1 14 21 1 15 17 1 15 20 1 16 22 1 18 23 1 19 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 19.18 -11.12 H 18.32 -11.15 H 17.65 -8.45 H 16.84 -11.89 C:119 21.32 -13.87 C:20 18.75 -7.24 O 16.18 -7.15 O 18.75 -15.74 O 13.19 -11.89 C:129 14.99 -9.47 C:62 14.58 -12.06 C:35 20.11 -9.40 C:22 20.45 -10.87 O 17.59 -13.42 C:139 19.93 -13.42 C:206 16.18 -8.55 C:170 18.75 -14.26 C:175 15.48 -10.87 C:30 18.75 -8.73 C:53 19.50 -12.02 C:86 18.03 -12.02 C:56 17.43 -9.40 C:50 17.10 -10.87 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 15 2 19 6 -1 7 16 2 8 17 2 9 11 1 10 16 1 10 18 2 11 18 1 12 13 1 12 19 1 13 20 1 14 17 1 14 21 1 15 17 1 15 20 1 16 22 1 18 23 1 19 22 1 20 21 1 21 23 1 22 23 1', 'C15H18O4', 262.19, 'C', 'jan08_1087_3', 5129, '', '', '1', 55, NULL, NULL),
(20440, 'Sonchifoliasolide G', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]23[CH2:8][CH2:9][C@@H:10]([CH3:14])[C@:1]1([H])[C:2](=O)[CH:3]=[C:4]([CH2:15]O)[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C@@H:11]3[CH3:13]', '[H][C@@]23CC[C@@H](C)[C@]1([H])C(=O)C=C(CO)[C@]1([H])[C@@]2([H])OC(=O)[C@@H]3C', '[H][C@@:46]23[CH2:22][CH2:34][C@@H:34]([CH3:15])[C@:53]1([H])[C:208](=O)[CH:130]=[C:180]([CH2:62]O)[C@:51]1([H])[C@@:82]2([H])O[C:179](=O)[C@@H:40]3[CH3:11]', '23 25 H 19.18 -11.12 H 17.65 -8.45 H 18.32 -11.15 H 16.84 -11.89 C:14 18.75 -7.24 C:13 21.32 -13.87 O 16.18 -7.15 O 18.75 -15.74 O 13.19 -11.89 C:3 14.99 -9.47 C:15 14.58 -12.06 C:9 20.11 -9.40 C:8 20.45 -10.87 O 17.59 -13.42 C:2 16.18 -8.55 C:12 18.75 -14.26 C:4 15.48 -10.87 C:10 18.75 -8.73 C:11 19.93 -13.42 C:7 19.50 -12.02 C:1 17.43 -9.40 C:6 18.03 -12.02 C:5 17.10 -10.87 20 1 -2 21 2 -2 22 3 -1 23 4 -2 18 5 -2 19 6 -1 7 15 2 8 16 2 9 11 1 10 15 1 10 17 2 11 17 1 12 13 1 12 18 1 13 20 1 14 16 1 14 22 1 15 21 1 16 19 1 17 23 1 18 21 1 19 20 1 20 22 1 21 23 1 22 23 1', '23 25 H 19.18 -11.12 H 17.65 -8.45 H 18.32 -11.15 H 16.84 -11.89 C 18.75 -7.24 C 21.32 -13.87 O 16.18 -7.15 O 18.75 -15.74 O 13.19 -11.89 C 14.99 -9.47 C 14.58 -12.06 C 20.11 -9.40 C 20.45 -10.87 O 17.59 -13.42 C 16.18 -8.55 C 18.75 -14.26 C 15.48 -10.87 C 18.75 -8.73 C 19.93 -13.42 C 19.50 -12.02 C 17.43 -9.40 C 18.03 -12.02 C 17.10 -10.87 20 1 -2 21 2 -2 22 3 -1 23 4 -2 18 5 -2 19 6 -1 7 15 2 8 16 2 9 11 1 10 15 1 10 17 2 11 17 1 12 13 1 12 18 1 13 20 1 14 16 1 14 22 1 15 21 1 16 19 1 17 23 1 18 21 1 19 20 1 20 22 1 21 23 1 22 23 1', '23 25 H 19.18 -11.12 H 17.65 -8.45 H 18.32 -11.15 H 16.84 -11.89 C:15 18.75 -7.24 C:11 21.32 -13.87 O 16.18 -7.15 O 18.75 -15.74 O 13.19 -11.89 C:130 14.99 -9.47 C:62 14.58 -12.06 C:34 20.11 -9.40 C:22 20.45 -10.87 O 17.59 -13.42 C:208 16.18 -8.55 C:179 18.75 -14.26 C:180 15.48 -10.87 C:34 18.75 -8.73 C:40 19.93 -13.42 C:46 19.50 -12.02 C:53 17.43 -9.40 C:82 18.03 -12.02 C:51 17.10 -10.87 20 1 -2 21 2 -2 22 3 -1 23 4 -2 18 5 -2 19 6 -1 7 15 2 8 16 2 9 11 1 10 15 1 10 17 2 11 17 1 12 13 1 12 18 1 13 20 1 14 16 1 14 22 1 15 21 1 16 19 1 17 23 1 18 21 1 19 20 1 20 22 1 21 23 1 22 23 1', 'C15H20O4', 264.19, 'C', 'jan08_1087_4', 5129, '', '', '1', 55, 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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(20457, '', '(1S,4S,5S,10R)-Zedoarondiol', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:1]12[CH2:2][CH2:3][C@:4]([CH3:15])(O)[C@@:5]1([H])[CH2:6]/[C:7](=[C:11]([CH3:12])/[CH3:13])[C:8](=O)[CH2:9][C@@:10]2([CH3:14])O', '[H][C@]12CC[C@](C)(O)[C@@]1([H])C/C(=C(C)/C)C(=O)C[C@@]2(C)O', '[H][C@:51]12[CH2:23][CH2:37][C@:81]([CH3:25])(O)[C@@:53]1([H])[CH2:27]/[C:134](=[C:141]([CH3:22])/[CH3:21])[C:203](=O)[CH2:52][C@@:71]2([CH3:29])O', '20 21 H 16.90 -8.94 H 16.12 -12.25 C:12 18.56 -14.87 C:13 20.70 -13.84 C:15 14.52 -12.83 C:14 18.69 -8.02 O 21.02 -11.61 O 13.52 -11.87 O 17.27 -8.05 C:3 14.32 -9.99 C:2 15.48 -9.09 C:9 19.33 -9.93 C:6 17.27 -12.49 C:11 19.33 -13.73 C:8 19.65 -11.36 C:7 18.74 -12.49 C:4 14.82 -11.36 C:10 18.01 -9.27 C:1 16.71 -9.93 C:5 16.38 -11.36 19 1 -1 20 2 -1 3 14 1 4 14 1 17 5 -2 18 6 -1 7 15 2 17 8 -1 18 9 -2 10 11 1 10 17 1 11 19 1 12 15 1 12 18 1 13 16 1 13 20 1 14 16 2 15 16 1 17 20 1 18 19 1 19 20 1', '20 21 H 16.90 -8.94 H 16.12 -12.25 C 18.56 -14.87 C 20.70 -13.84 C 14.52 -12.83 C 18.69 -8.02 O 21.02 -11.61 O 13.52 -11.87 O 17.27 -8.05 C 14.32 -9.99 C 15.48 -9.09 C 19.33 -9.93 C 17.27 -12.49 C 19.33 -13.73 C 19.65 -11.36 C 18.74 -12.49 C 14.82 -11.36 C 18.01 -9.27 C 16.71 -9.93 C 16.38 -11.36 19 1 -1 20 2 -1 3 14 1 4 14 1 17 5 -2 18 6 -1 7 15 2 17 8 -1 18 9 -2 10 11 1 10 17 1 11 19 1 12 15 1 12 18 1 13 16 1 13 20 1 14 16 2 15 16 1 17 20 1 18 19 1 19 20 1', '20 21 H 16.90 -8.94 H 16.12 -12.25 C:22 18.56 -14.87 C:21 20.70 -13.84 C:25 14.52 -12.83 C:29 18.69 -8.02 O 21.02 -11.61 O 13.52 -11.87 O 17.27 -8.05 C:37 14.32 -9.99 C:23 15.48 -9.09 C:52 19.33 -9.93 C:27 17.27 -12.49 C:141 19.33 -13.73 C:203 19.65 -11.36 C:134 18.74 -12.49 C:81 14.82 -11.36 C:71 18.01 -9.27 C:51 16.71 -9.93 C:53 16.38 -11.36 19 1 -1 20 2 -1 3 14 1 4 14 1 17 5 -2 18 6 -1 7 15 2 17 8 -1 18 9 -2 10 11 1 10 17 1 11 19 1 12 15 1 12 18 1 13 16 1 13 20 1 14 16 2 15 16 1 17 20 1 18 19 1 19 20 1', 'C15H24O3', 252.175, 'D', 'jan09_737_1', 5137, '', '', '1', 55, NULL, NULL),
(20458, 'Zedoalactone D', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:5]23[CH2:6][c:7]1[c:11]([CH3:13])[c:12](=O)o[c:8]1=[CH:9][C@:10]([CH3:14])(O)[C@@:1]2(O)[CH2:2][CH2:3][C@:4]3([CH3:15])O', '[H][C@]23Cc1c(C)c(=O)oc1=C[C@](C)(O)[C@@]2(O)CC[C@]3(C)O', '[H][C@:62]23[CH2:24][c:152]1[c:125]([CH3:8])[c:173](=O)o[c:153]1=[CH:120][C@:74]([CH3:27])(O)[C@@:88]2(O)[CH2:35][CH2:40][C@:81]3([CH3:22])O', '21 23 H 15.63 -12.34 C:13 18.51 -14.98 C:14 18.14 -8.09 C:15 14.12 -12.71 O 21.49 -14.11 O 16.96 -7.92 O 13.04 -11.87 O 16.39 -8.79 C:9 18.79 -9.92 C:3 13.83 -9.99 C:2 14.97 -9.10 C:6 16.76 -12.48 O 20.36 -11.87 C:11 19.01 -13.63 C:7 18.22 -12.48 C:12 20.36 -13.27 C:8 19.12 -11.36 C:10 17.50 -9.29 C:4 14.32 -11.36 C:5 15.88 -11.36 C:1 16.19 -9.92 20 1 -1 2 14 1 18 3 -2 19 4 -2 5 16 2 18 6 -1 19 7 -1 21 8 -1 9 17 2 9 18 1 10 11 1 10 19 1 11 21 1 12 15 1 12 20 1 13 16 1 13 17 1 14 15 2 14 16 1 15 17 1 18 21 1 19 20 1 20 21 1', '21 23 H 15.63 -12.34 C 18.51 -14.98 C 18.14 -8.09 C 14.12 -12.71 O 21.49 -14.11 O 16.96 -7.92 O 13.04 -11.87 O 16.39 -8.79 C 18.79 -9.92 C 13.83 -9.99 C 14.97 -9.10 C 16.76 -12.48 O 20.36 -11.87 C 19.01 -13.63 C 18.22 -12.48 C 20.36 -13.27 C 19.12 -11.36 C 17.50 -9.29 C 14.32 -11.36 C 15.88 -11.36 C 16.19 -9.92 20 1 -1 2 14 1 18 3 -2 19 4 -2 5 16 2 18 6 -1 19 7 -1 21 8 -1 9 17 2 9 18 1 10 11 1 10 19 1 11 21 1 12 15 1 12 20 1 13 16 1 13 17 1 14 15 2 14 16 1 15 17 1 18 21 1 19 20 1 20 21 1', '21 23 H 15.63 -12.34 C:8 18.51 -14.98 C:27 18.14 -8.09 C:22 14.12 -12.71 O 21.49 -14.11 O 16.96 -7.92 O 13.04 -11.87 O 16.39 -8.79 C:120 18.79 -9.92 C:40 13.83 -9.99 C:35 14.97 -9.10 C:24 16.76 -12.48 O 20.36 -11.87 C:125 19.01 -13.63 C:152 18.22 -12.48 C:173 20.36 -13.27 C:153 19.12 -11.36 C:74 17.50 -9.29 C:81 14.32 -11.36 C:62 15.88 -11.36 C:88 16.19 -9.92 20 1 -1 2 14 1 18 3 -2 19 4 -2 5 16 2 18 6 -1 19 7 -1 21 8 -1 9 17 2 9 18 1 10 11 1 10 19 1 11 21 1 12 15 1 12 20 1 13 16 1 13 17 1 14 15 2 14 16 1 15 17 1 18 21 1 19 20 1 20 21 1', 'C15H20O5', 280.165, 'M', 'jan09_737_2', 5137, '', '', '1', 55, 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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(20492, 'Ent-Litsenolide C1', '', 'Butanolides', '', '', '[CH3:2014][CH2:2013][CH2:2012][CH2:2011][CH2:2010][CH2:2009][CH2:2008][CH2:2007][CH2:2006][CH2:2005][CH2:2004][CH2:2003][CH2:2002]/[CH:2001]=[C:2]/1[C:1](=O)O[C@@H:4]([CH3:4001])[C@@H:3]1O', 'CCCCCCCCCCCCC/C=C/1C(=O)O[C@@H](C)[C@@H]1O', '[CH3:14][CH2:23][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:32]/[CH:149]=[C:129]/1[C:170](=O)O[C@@H:72]([CH3:20])[C@@H:82]1O', '22 22 C:2014 15.28 -9.16 C:4001 22.41 -10.25 O 17.49 -10.25 O 21.46 -13.16 C:2001 18.42 -13.16 C:2013 14.70 -7.88 C:2002 17.03 -13.01 C:2012 13.31 -7.75 C:2003 16.21 -14.14 C:2011 12.50 -8.89 C:2004 14.83 -14.00 C:2010 13.08 -10.16 C:2005 14.02 -15.14 C:2009 12.27 -11.30 C:2006 12.61 -14.99 C:2008 12.85 -12.57 C:2007 12.04 -13.72 O 19.94 -9.85 C:1 18.82 -10.69 C:2 19.25 -12.01 C:4 21.07 -10.69 C:3 20.64 -12.01 1 6 1 21 2 -1 3 19 2 22 4 -2 5 7 1 5 20 2 6 8 1 7 9 1 8 10 1 9 11 1 10 12 1 11 13 1 12 14 1 13 15 1 14 16 1 15 17 1 16 17 1 18 19 1 18 21 1 19 20 1 20 22 1 21 22 1', '22 22 C 15.28 -9.16 C 22.41 -10.25 O 17.49 -10.25 O 21.46 -13.16 C 18.42 -13.16 C 14.70 -7.88 C 17.03 -13.01 C 13.31 -7.75 C 16.21 -14.14 C 12.50 -8.89 C 14.83 -14.00 C 13.08 -10.16 C 14.02 -15.14 C 12.27 -11.30 C 12.61 -14.99 C 12.85 -12.57 C 12.04 -13.72 O 19.94 -9.85 C 18.82 -10.69 C 19.25 -12.01 C 21.07 -10.69 C 20.64 -12.01 1 6 1 21 2 -1 3 19 2 22 4 -2 5 7 1 5 20 2 6 8 1 7 9 1 8 10 1 9 11 1 10 12 1 11 13 1 12 14 1 13 15 1 14 16 1 15 17 1 16 17 1 18 19 1 18 21 1 19 20 1 20 22 1 21 22 1', '22 22 C:14 15.28 -9.16 C:20 22.41 -10.25 O 17.49 -10.25 O 21.46 -13.16 C:149 18.42 -13.16 C:23 14.70 -7.88 C:32 17.03 -13.01 C 13.31 -7.75 C 16.21 -14.14 C 12.50 -8.89 C 14.83 -14.00 C 13.08 -10.16 C 14.02 -15.14 C 12.27 -11.30 C 12.61 -14.99 C 12.85 -12.57 C 12.04 -13.72 O 19.94 -9.85 C:170 18.82 -10.69 C:129 19.25 -12.01 C:72 21.07 -10.69 C:82 20.64 -12.01 1 6 1 21 2 -1 3 19 2 22 4 -2 5 7 1 5 20 2 6 8 1 7 9 1 8 10 1 9 11 1 10 12 1 11 13 1 12 14 1 13 15 1 14 16 1 15 17 1 16 17 1 18 19 1 18 21 1 19 20 1 20 22 1 21 22 1', 'C19H34O3', 310.202, 'C', 'np09_2145_6', 5143, '', '1', '1', 55, NULL, NULL),
(20493, 'Vernocinolide A', '8β[3-chloro-2-hydroxy-2-methylpropanoyloxy]-4β,6α,10β-trihydroxyl-l3-ethoxy-7(11)-guaiaen-12,6-olide', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]([CH3:15])(O)[C@:5]1([H])[C@:6]2(O)O[C:12](=O)[C:11]([CH2:13]O[CH2:13001][CH3:13002])=[C:7]2[C@H:8](O[C:8001](=O)[C:8002]([CH3:8004])(O)[CH2:8003]Cl)[CH2:9][C@:10]3([CH3:14])O', '[H][C@@]13CC[C@](C)(O)[C@]1([H])[C@]2(O)OC(=O)C(COCC)=C2[C@H](OC(=O)C(C)(O)CCl)C[C@]3(C)O', '[H][C@@:51]13[CH2:24][CH2:42][C@:84]([CH3:30])(O)[C@:55]1([H])[C@:108]2(O)O[C:169](=O)[C:131]([CH2:62]O[CH2:67][CH3:15])=[C:158]2[C@H:67](O[C:172](=O)[C:75]([CH3:24])(O)[CH2:51]Cl)[CH2:45][C@:72]3([CH3:22])O', '33 35 H 15.24 -8.31 H 14.46 -11.68 C:13002 22.27 -12.32 C:8004 22.04 -11.60 C:15 12.86 -12.10 C:14 17.02 -7.40 O 16.34 -15.45 O 19.83 -8.62 O 20.67 -11.29 O 11.86 -11.16 O 15.62 -7.40 O 16.06 -10.48 Cl 22.18 -7.90 C:13001 21.21 -13.17 C:8003 22.58 -9.24 C:13 18.87 -13.60 C:3 12.65 -9.31 C:2 13.80 -8.41 C:9 17.66 -9.24 O 19.93 -12.72 O 19.33 -10.96 O 15.18 -13.17 C:12 16.34 -13.98 C:8001 20.26 -9.95 C:11 17.48 -13.17 C:7 17.06 -11.80 C:8 17.99 -10.67 C:8002 21.62 -10.26 C:4 13.13 -10.67 C:10 16.34 -8.58 C:1 15.02 -9.24 C:5 14.70 -10.67 C:6 15.62 -11.80 31 1 -2 32 2 -2 3 14 1 4 28 1 29 5 -2 30 6 -2 7 23 2 8 24 2 9 28 1 29 10 -1 30 11 -1 33 12 -2 13 15 1 14 20 1 15 28 1 16 20 1 16 25 1 17 18 1 17 29 1 18 31 1 19 27 1 19 30 1 21 24 1 27 21 -1 22 23 1 22 33 1 23 25 1 24 28 1 25 26 2 26 27 1 26 33 1 29 32 1 30 31 1 31 32 1 32 33 1', '33 35 H 15.24 -8.31 H 14.46 -11.68 C 22.27 -12.32 C 22.04 -11.60 C 12.86 -12.10 C 17.02 -7.40 O 16.34 -15.45 O 19.83 -8.62 O 20.67 -11.29 O 11.86 -11.16 O 15.62 -7.40 O 16.06 -10.48 Cl 22.18 -7.90 C 21.21 -13.17 C 22.58 -9.24 C 18.87 -13.60 C 12.65 -9.31 C 13.80 -8.41 C 17.66 -9.24 O 19.93 -12.72 O 19.33 -10.96 O 15.18 -13.17 C 16.34 -13.98 C 20.26 -9.95 C 17.48 -13.17 C 17.06 -11.80 C 17.99 -10.67 C 21.62 -10.26 C 13.13 -10.67 C 16.34 -8.58 C 15.02 -9.24 C 14.70 -10.67 C 15.62 -11.80 31 1 -2 32 2 -2 3 14 1 4 28 1 29 5 -2 30 6 -2 7 23 2 8 24 2 9 28 1 29 10 -1 30 11 -1 33 12 -2 13 15 1 14 20 1 15 28 1 16 20 1 16 25 1 17 18 1 17 29 1 18 31 1 19 27 1 19 30 1 21 24 1 27 21 -1 22 23 1 22 33 1 23 25 1 24 28 1 25 26 2 26 27 1 26 33 1 29 32 1 30 31 1 31 32 1 32 33 1', '33 35 H 15.24 -8.31 H 14.46 -11.68 C:15 22.27 -12.32 C:24 22.04 -11.60 C:30 12.86 -12.10 C:22 17.02 -7.40 O 16.34 -15.45 O 19.83 -8.62 O 20.67 -11.29 O 11.86 -11.16 O 15.62 -7.40 O 16.06 -10.48 Cl 22.18 -7.90 C:67 21.21 -13.17 C:51 22.58 -9.24 C:62 18.87 -13.60 C:42 12.65 -9.31 C:24 13.80 -8.41 C:45 17.66 -9.24 O 19.93 -12.72 O 19.33 -10.96 O 15.18 -13.17 C:169 16.34 -13.98 C:172 20.26 -9.95 C:131 17.48 -13.17 C:158 17.06 -11.80 C:67 17.99 -10.67 C:75 21.62 -10.26 C:84 13.13 -10.67 C:72 16.34 -8.58 C:51 15.02 -9.24 C:55 14.70 -10.67 C:108 15.62 -11.80 31 1 -2 32 2 -2 3 14 1 4 28 1 29 5 -2 30 6 -2 7 23 2 8 24 2 9 28 1 29 10 -1 30 11 -1 33 12 -2 13 15 1 14 20 1 15 28 1 16 20 1 16 25 1 17 18 1 17 29 1 18 31 1 19 27 1 19 30 1 21 24 1 27 21 -1 22 23 1 22 33 1 23 25 1 24 28 1 25 26 2 26 27 1 26 33 1 29 32 1 30 31 1 31 32 1 32 33 1', 'C21H31ClO9', 462.688, 'C', 'npr06_125_1', 5144, '', '', '1', 55, NULL, NULL),
(20494, '', '3β,9β-dihydroxyguaian-4(15),10(14),11(13)-trien-6,12 olide', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]23[CH2:8][C@H:9](O)[C:10](=[CH2:14])[C@:1]1([H])[CH2:2][C@H:3](O)[C:4](=[CH2:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11]3=[CH2:13]', '[H][C@@]23C[C@H](O)C(=C)[C@]1([H])C[C@H](O)C(=C)[C@]1([H])[C@@]2([H])OC(=O)C3=C', '[H][C@@:48]23[CH2:43][C@H:65](O)[C:145](=[CH2:115])[C@:44]1([H])[CH2:38][C@H:72](O)[C:154](=[CH2:104])[C@:49]1([H])[C@@:78]2([H])O[C:170](=O)[C:136]3=[CH2:121]', '23 25 H 18.94 -11.01 H 17.40 -8.36 H 18.08 -11.04 H 16.59 -11.78 C:13 21.08 -13.77 C:14 18.51 -7.15 C:15 14.34 -11.96 O 18.51 -15.64 O 20.97 -8.46 O 13.39 -8.98 C:8 20.21 -10.76 C:2 15.93 -8.46 O 17.34 -13.32 C:12 18.51 -14.16 C:11 19.69 -13.32 C:10 18.51 -8.64 C:4 15.24 -10.76 C:9 19.87 -9.30 C:3 14.75 -9.37 C:7 19.26 -11.92 C:1 17.18 -9.30 C:6 17.78 -11.92 C:5 16.85 -10.76 20 1 -2 21 2 -2 22 3 -1 23 4 -2 5 15 2 6 16 2 7 17 2 8 14 2 18 9 -1 19 10 -1 11 18 1 11 20 1 12 19 1 12 21 1 13 14 1 13 22 1 14 15 1 15 20 1 16 18 1 16 21 1 17 19 1 17 23 1 20 22 1 21 23 1 22 23 1', '23 25 H 18.94 -11.01 H 17.40 -8.36 H 18.08 -11.04 H 16.59 -11.78 C 21.08 -13.77 C 18.51 -7.15 C 14.34 -11.96 O 18.51 -15.64 O 20.97 -8.46 O 13.39 -8.98 C 20.21 -10.76 C 15.93 -8.46 O 17.34 -13.32 C 18.51 -14.16 C 19.69 -13.32 C 18.51 -8.64 C 15.24 -10.76 C 19.87 -9.30 C 14.75 -9.37 C 19.26 -11.92 C 17.18 -9.30 C 17.78 -11.92 C 16.85 -10.76 20 1 -2 21 2 -2 22 3 -1 23 4 -2 5 15 2 6 16 2 7 17 2 8 14 2 18 9 -1 19 10 -1 11 18 1 11 20 1 12 19 1 12 21 1 13 14 1 13 22 1 14 15 1 15 20 1 16 18 1 16 21 1 17 19 1 17 23 1 20 22 1 21 23 1 22 23 1', '23 25 H 18.94 -11.01 H 17.40 -8.36 H 18.08 -11.04 H 16.59 -11.78 C:121 21.08 -13.77 C:115 18.51 -7.15 C:104 14.34 -11.96 O 18.51 -15.64 O 20.97 -8.46 O 13.39 -8.98 C:43 20.21 -10.76 C:38 15.93 -8.46 O 17.34 -13.32 C:170 18.51 -14.16 C:136 19.69 -13.32 C:145 18.51 -8.64 C:154 15.24 -10.76 C:65 19.87 -9.30 C:72 14.75 -9.37 C:48 19.26 -11.92 C:44 17.18 -9.30 C:78 17.78 -11.92 C:49 16.85 -10.76 20 1 -2 21 2 -2 22 3 -1 23 4 -2 5 15 2 6 16 2 7 17 2 8 14 2 18 9 -1 19 10 -1 11 18 1 11 20 1 12 19 1 12 21 1 13 14 1 13 22 1 14 15 1 15 20 1 16 18 1 16 21 1 17 19 1 17 23 1 20 22 1 21 23 1 22 23 1', 'C15H18O4', 262.19, 'M', 'npr06_435_1', 5145, '', '', '1', 55, NULL, NULL),
(20495, '', '8α-hydroxy-4α(13),11β(15)-tetrahydrozaluzanin C', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][C@H:3](O)[C@H:4]([CH3:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C@@H:11]([CH3:13])[C@:7]2([H])[C@@H:8](O)[CH2:9][C:10]3=[CH2:14]', '[H][C@@]13C[C@H](O)[C@H](C)[C@]1([H])[C@@]2([H])OC(=O)[C@@H](C)[C@]2([H])[C@@H](O)CC3=C', '[H][C@@:42]13[CH2:39][C@H:80](O)[C@H:46]([CH3:13])[C@:55]1([H])[C@@:77]2([H])O[C:178](=O)[C@@H:36]([CH3:18])[C@:51]2([H])[C@@H:63](O)[CH2:44][C:144]3=[CH2:114]', '23 25 H 17.15 -8.41 H 17.84 -11.09 H 18.70 -11.06 H 16.34 -11.82 C:14 18.27 -7.20 C:13 20.84 -13.81 C:15 14.09 -12.00 O 18.27 -15.68 O 13.15 -9.03 O 21.35 -11.06 C:9 19.63 -9.35 C:2 15.68 -8.51 O 17.09 -13.36 C:10 18.27 -8.69 C:12 18.27 -14.20 C:11 19.45 -13.36 C:3 14.50 -9.42 C:4 14.99 -10.81 C:8 19.97 -10.81 C:1 16.93 -9.35 C:6 17.54 -11.96 C:7 19.02 -11.96 C:5 16.60 -10.81 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 14 2 16 6 -2 18 7 -1 8 15 2 17 9 -1 19 10 -2 11 14 1 11 19 1 12 17 1 12 20 1 13 15 1 13 21 1 14 20 1 15 16 1 16 22 1 17 18 1 18 23 1 19 22 1 20 23 1 21 22 1 21 23 1', '23 25 H 17.15 -8.41 H 17.84 -11.09 H 18.70 -11.06 H 16.34 -11.82 C 18.27 -7.20 C 20.84 -13.81 C 14.09 -12.00 O 18.27 -15.68 O 13.15 -9.03 O 21.35 -11.06 C 19.63 -9.35 C 15.68 -8.51 O 17.09 -13.36 C 18.27 -8.69 C 18.27 -14.20 C 19.45 -13.36 C 14.50 -9.42 C 14.99 -10.81 C 19.97 -10.81 C 16.93 -9.35 C 17.54 -11.96 C 19.02 -11.96 C 16.60 -10.81 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 14 2 16 6 -2 18 7 -1 8 15 2 17 9 -1 19 10 -2 11 14 1 11 19 1 12 17 1 12 20 1 13 15 1 13 21 1 14 20 1 15 16 1 16 22 1 17 18 1 18 23 1 19 22 1 20 23 1 21 22 1 21 23 1', '23 25 H 17.15 -8.41 H 17.84 -11.09 H 18.70 -11.06 H 16.34 -11.82 C:114 18.27 -7.20 C:18 20.84 -13.81 C:13 14.09 -12.00 O 18.27 -15.68 O 13.15 -9.03 O 21.35 -11.06 C:44 19.63 -9.35 C:39 15.68 -8.51 O 17.09 -13.36 C:144 18.27 -8.69 C:178 18.27 -14.20 C:36 19.45 -13.36 C:80 14.50 -9.42 C:46 14.99 -10.81 C:63 19.97 -10.81 C:42 16.93 -9.35 C:77 17.54 -11.96 C:51 19.02 -11.96 C:55 16.60 -10.81 20 1 -2 21 2 -1 22 3 -2 23 4 -2 5 14 2 16 6 -2 18 7 -1 8 15 2 17 9 -1 19 10 -2 11 14 1 11 19 1 12 17 1 12 20 1 13 15 1 13 21 1 14 20 1 15 16 1 16 22 1 17 18 1 18 23 1 19 22 1 20 23 1 21 22 1 21 23 1', 'C15H22O4', 266.19, 'M', 'npr06_435_2', 5145, '', '', '1', 55, NULL, NULL),
(20496, '', '1S*, 4R*, 5S*, 6R*, 7S*,10S*-1(5), 6(7)-Diepoxy-4-guaiol', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[CH3:13][CH:11]([CH3:12])[C@@:7]34[CH2:8][CH2:9][C@H:10]([CH3:14])[C@@:1]12[CH2:2][CH2:3][C@@:4]([CH3:15])(O)[C@@:5]1(O2)[C@@H:6]3O4', 'CC(C)[C@@]34CC[C@H](C)[C@@]12CC[C@@](C)(O)[C@@]1(O2)[C@@H]3O4', '[CH3:18][CH:36]([CH3:18])[C@@:68]34[CH2:26][CH2:25][C@H:38]([CH3:19])[C@@:76]12[CH2:29][CH2:36][C@@:70]([CH3:22])(O)[C@@:80]1(O2)[C@@H:56]3O4', '18 21 C:13 20.78 -13.68 C:12 18.58 -14.88 C:14 18.05 -7.99 C:15 14.79 -12.73 O 13.72 -11.89 C:9 19.32 -10.00 C:8 19.64 -11.38 C:3 14.53 -10.07 C:2 15.63 -9.20 O 18.05 -13.65 O 17.80 -10.95 C:11 19.37 -13.73 C:10 18.05 -9.38 C:6 17.36 -12.46 C:4 14.98 -11.38 C:7 18.76 -12.46 C:1 16.80 -10.00 C:5 16.49 -11.38 1 12 1 2 12 1 13 3 -1 15 4 -1 15 5 -2 6 7 1 6 13 1 7 16 1 8 9 1 8 15 1 9 17 1 14 10 -1 10 16 1 17 11 -1 18 11 -1 16 12 -2 13 17 1 14 16 1 14 18 1 15 18 1 17 18 1', '18 21 C 20.78 -13.68 C 18.58 -14.88 C 18.05 -7.99 C 14.79 -12.73 O 13.72 -11.89 C 19.32 -10.00 C 19.64 -11.38 C 14.53 -10.07 C 15.63 -9.20 O 18.05 -13.65 O 17.80 -10.95 C 19.37 -13.73 C 18.05 -9.38 C 17.36 -12.46 C 14.98 -11.38 C 18.76 -12.46 C 16.80 -10.00 C 16.49 -11.38 1 12 1 2 12 1 13 3 -1 15 4 -1 15 5 -2 6 7 1 6 13 1 7 16 1 8 9 1 8 15 1 9 17 1 14 10 -1 10 16 1 17 11 -1 18 11 -1 16 12 -2 13 17 1 14 16 1 14 18 1 15 18 1 17 18 1', '18 21 C:18 20.78 -13.68 C:18 18.58 -14.88 C:19 18.05 -7.99 C:22 14.79 -12.73 O 13.72 -11.89 C:25 19.32 -10.00 C:26 19.64 -11.38 C:36 14.53 -10.07 C:29 15.63 -9.20 O 18.05 -13.65 O 17.80 -10.95 C:36 19.37 -13.73 C:38 18.05 -9.38 C:56 17.36 -12.46 C:70 14.98 -11.38 C:68 18.76 -12.46 C:76 16.80 -10.00 C:80 16.49 -11.38 1 12 1 2 12 1 13 3 -1 15 4 -1 15 5 -2 6 7 1 6 13 1 7 16 1 8 9 1 8 15 1 9 17 1 14 10 -1 10 16 1 17 11 -1 18 11 -1 16 12 -2 13 17 1 14 16 1 14 18 1 15 18 1 17 18 1', 'C15H24O3', 252.159, 'C', 'npr06_659_1', 5146, '', '', '1', 55, 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
(20497, '', '1S*, 4S*, 5S*, 10R*-4,10-Guaianediol', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:5]12[CH:6]=[C:7]([CH:11]([CH3:13])[CH3:12])[CH2:8][CH2:9][C@@:10]([CH3:14])(O)[C@@:1]1([H])[CH2:2][CH2:3][C@:4]2([CH3:15])O', '[H][C@]12C=C(C(C)C)CC[C@@](C)(O)[C@@]1([H])CC[C@]2(C)O', '[H][C@:50]12[CH:121]=[C:150]([CH:37]([CH3:21])[CH3:21])[CH2:25][CH2:43][C@@:75]([CH3:21])(O)[C@@:51]1([H])[CH2:22][CH2:40][C@:80]2([CH3:23])O', '19 20 H 16.26 -12.23 H 17.04 -8.93 C:13 20.86 -13.82 C:12 18.71 -14.85 C:15 14.67 -12.81 C:14 18.84 -8.02 O 13.67 -11.85 O 17.41 -8.05 C:6 17.41 -12.47 C:8 19.81 -11.34 C:9 19.49 -9.90 C:3 14.47 -9.96 C:2 15.62 -9.08 C:7 18.89 -12.47 C:11 19.49 -13.71 C:4 14.96 -11.34 C:10 18.15 -9.26 C:5 16.52 -11.34 C:1 16.85 -9.90 18 1 -1 19 2 -1 3 15 1 4 15 1 16 5 -2 17 6 -1 16 7 -1 17 8 -2 9 14 2 9 18 1 10 11 1 10 14 1 11 17 1 12 13 1 12 16 1 13 19 1 14 15 1 16 18 1 17 19 1 18 19 1', '19 20 H 16.26 -12.23 H 17.04 -8.93 C 20.86 -13.82 C 18.71 -14.85 C 14.67 -12.81 C 18.84 -8.02 O 13.67 -11.85 O 17.41 -8.05 C 17.41 -12.47 C 19.81 -11.34 C 19.49 -9.90 C 14.47 -9.96 C 15.62 -9.08 C 18.89 -12.47 C 19.49 -13.71 C 14.96 -11.34 C 18.15 -9.26 C 16.52 -11.34 C 16.85 -9.90 18 1 -1 19 2 -1 3 15 1 4 15 1 16 5 -2 17 6 -1 16 7 -1 17 8 -2 9 14 2 9 18 1 10 11 1 10 14 1 11 17 1 12 13 1 12 16 1 13 19 1 14 15 1 16 18 1 17 19 1 18 19 1', '19 20 H 16.26 -12.23 H 17.04 -8.93 C:21 20.86 -13.82 C:21 18.71 -14.85 C:23 14.67 -12.81 C:21 18.84 -8.02 O 13.67 -11.85 O 17.41 -8.05 C:121 17.41 -12.47 C:25 19.81 -11.34 C:43 19.49 -9.90 C:40 14.47 -9.96 C:22 15.62 -9.08 C:150 18.89 -12.47 C:37 19.49 -13.71 C:80 14.96 -11.34 C:75 18.15 -9.26 C:50 16.52 -11.34 C:51 16.85 -9.90 18 1 -1 19 2 -1 3 15 1 4 15 1 16 5 -2 17 6 -1 16 7 -1 17 8 -2 9 14 2 9 18 1 10 11 1 10 14 1 11 17 1 12 13 1 12 16 1 13 19 1 14 15 1 16 18 1 17 19 1 18 19 1', 'C15H26O2', 238.175, 'C', 'npr06_659_2', 5146, '', '', '1', 55, NULL, NULL),
(20498, 'Pancherione', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[CH3:15][C@H:4]1[CH2:3][C:2](=O)[C:1]2=[C:5]1[CH2:6][C@H:7]([C:11]([CH3:12])([CH3:13])O)[CH2:8][CH2:9][C@@H:10]2[CH3:14]', 'C[C@H]1CC(=O)C2=C1C[C@H](C(C)(C)O)CC[C@@H]2C', '[CH3:19][C@H:38]1[CH2:43][C:208](=O)[C:145]2=[C:177]1[CH2:32][C@H:50]([C:73]([CH3:26])([CH3:28])O)[CH2:27][CH2:33][C@@H:27]2[CH3:18]', '17 18 C:15 13.97 -12.54 C:14 17.85 -8.05 C:12 18.38 -14.92 C:13 20.57 -13.71 O 15.44 -7.90 O 19.76 -14.99 C:9 19.12 -10.05 C:8 19.43 -11.42 C:3 14.34 -10.12 C:6 17.17 -12.51 C:2 15.44 -9.25 C:5 16.30 -11.42 C:1 16.61 -10.05 C:4 14.80 -11.42 C:10 17.85 -9.44 C:7 18.55 -12.51 C:11 19.16 -13.76 14 1 -1 15 2 -1 3 17 1 4 17 1 5 11 2 6 17 1 7 8 1 7 15 1 8 16 1 9 11 1 9 14 1 10 12 1 10 16 1 11 13 1 12 13 2 12 14 1 13 15 1 16 17 -1', '17 18 C 13.97 -12.54 C 17.85 -8.05 C 18.38 -14.92 C 20.57 -13.71 O 15.44 -7.90 O 19.76 -14.99 C 19.12 -10.05 C 19.43 -11.42 C 14.34 -10.12 C 17.17 -12.51 C 15.44 -9.25 C 16.30 -11.42 C 16.61 -10.05 C 14.80 -11.42 C 17.85 -9.44 C 18.55 -12.51 C 19.16 -13.76 14 1 -1 15 2 -1 3 17 1 4 17 1 5 11 2 6 17 1 7 8 1 7 15 1 8 16 1 9 11 1 9 14 1 10 12 1 10 16 1 11 13 1 12 13 2 12 14 1 13 15 1 16 17 -1', '17 18 C:19 13.97 -12.54 C:18 17.85 -8.05 C:26 18.38 -14.92 C:28 20.57 -13.71 O 15.44 -7.90 O 19.76 -14.99 C:33 19.12 -10.05 C:27 19.43 -11.42 C:43 14.34 -10.12 C:32 17.17 -12.51 C:208 15.44 -9.25 C:177 16.30 -11.42 C:145 16.61 -10.05 C:38 14.80 -11.42 C:27 17.85 -9.44 C:50 18.55 -12.51 C:73 19.16 -13.76 14 1 -1 15 2 -1 3 17 1 4 17 1 5 11 2 6 17 1 7 8 1 7 15 1 8 16 1 9 11 1 9 14 1 10 12 1 10 16 1 11 13 1 12 13 2 12 14 1 13 15 1 16 17 -1', 'C15H24O2', 236.159, 'C', 'npr06_731_2', 5147, '', '', '1', 55, NULL, NULL),
(20499, '', '3β,8α-Dihydroxy-13-methoxyl-4(14),10(15)-dien-(1αH,5αH,6βH,11βH)-12,6-olide', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][C@H:3](O)[C:4](=[CH2:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C@@H:11]([CH2:13]O[CH3:13001])[C@:7]2([H])[C@@H:8](O)[CH2:9][C:10]3=[CH2:14]', '[H][C@@]13C[C@H](O)C(=C)[C@]1([H])[C@@]2([H])OC(=O)[C@@H](COC)[C@]2([H])[C@@H](O)CC3=C', '[H][C@@:44]13[CH2:39][C@H:74](O)[C:153](=[CH2:112])[C@:50]1([H])[C@@:81]2([H])O[C:176](=O)[C@@H:45]([CH2:69]O[CH3:59])[C@:53]2([H])[C@@H:70](O)[CH2:44][C:143]3=[CH2:116]', '25 27 H 16.58 -8.40 H 17.27 -11.08 H 18.13 -11.05 H 15.77 -11.82 C:14 17.70 -7.19 C:15 13.53 -12.00 C:13001 21.89 -15.60 O 17.70 -15.67 O 12.59 -9.02 O 20.78 -11.05 C:13 20.27 -13.81 C:9 19.06 -9.34 C:2 15.11 -8.50 O 20.56 -15.17 O 16.52 -13.36 C:10 17.70 -8.68 C:4 14.42 -10.80 C:12 17.70 -14.20 C:3 13.94 -9.41 C:8 19.40 -10.80 C:11 18.88 -13.36 C:1 16.36 -9.34 C:6 16.97 -11.96 C:7 18.45 -11.96 C:5 16.03 -10.80 22 1 -2 23 2 -1 24 3 -2 25 4 -2 5 16 2 6 17 2 7 14 1 8 18 2 19 9 -1 20 10 -2 11 14 1 21 11 -2 12 16 1 12 20 1 13 19 1 13 22 1 15 18 1 15 23 1 16 22 1 17 19 1 17 25 1 18 21 1 20 24 1 21 24 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.58 -8.40 H 17.27 -11.08 H 18.13 -11.05 H 15.77 -11.82 C 17.70 -7.19 C 13.53 -12.00 C 21.89 -15.60 O 17.70 -15.67 O 12.59 -9.02 O 20.78 -11.05 C 20.27 -13.81 C 19.06 -9.34 C 15.11 -8.50 O 20.56 -15.17 O 16.52 -13.36 C 17.70 -8.68 C 14.42 -10.80 C 17.70 -14.20 C 13.94 -9.41 C 19.40 -10.80 C 18.88 -13.36 C 16.36 -9.34 C 16.97 -11.96 C 18.45 -11.96 C 16.03 -10.80 22 1 -2 23 2 -1 24 3 -2 25 4 -2 5 16 2 6 17 2 7 14 1 8 18 2 19 9 -1 20 10 -2 11 14 1 21 11 -2 12 16 1 12 20 1 13 19 1 13 22 1 15 18 1 15 23 1 16 22 1 17 19 1 17 25 1 18 21 1 20 24 1 21 24 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.58 -8.40 H 17.27 -11.08 H 18.13 -11.05 H 15.77 -11.82 C:116 17.70 -7.19 C:112 13.53 -12.00 C:59 21.89 -15.60 O 17.70 -15.67 O 12.59 -9.02 O 20.78 -11.05 C:69 20.27 -13.81 C:44 19.06 -9.34 C:39 15.11 -8.50 O 20.56 -15.17 O 16.52 -13.36 C:143 17.70 -8.68 C:153 14.42 -10.80 C:176 17.70 -14.20 C:74 13.94 -9.41 C:70 19.40 -10.80 C:45 18.88 -13.36 C:44 16.36 -9.34 C:81 16.97 -11.96 C:53 18.45 -11.96 C:50 16.03 -10.80 22 1 -2 23 2 -1 24 3 -2 25 4 -2 5 16 2 6 17 2 7 14 1 8 18 2 19 9 -1 20 10 -2 11 14 1 21 11 -2 12 16 1 12 20 1 13 19 1 13 22 1 15 18 1 15 23 1 16 22 1 17 19 1 17 25 1 18 21 1 20 24 1 21 24 1 22 25 1 23 24 1 23 25 1', 'C16H22O5', 294.2, 'C', 'npr07_221_1', 5148, '', '', '1', 55, NULL, NULL),
(20500, '', '3β,8α-Dihydroxy-13-methoxyl-4(14),10(15)-dien-(1αH,5αH,6βH,11lphaaH)-12,6-olide', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][C@H:3](O)[C:4](=[CH2:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C@H:11]([CH2:13]O[CH3:13001])[C@:7]2([H])[C@@H:8](O)[CH2:9][C:10]3=[CH2:14]', '[H][C@@]13C[C@H](O)C(=C)[C@]1([H])[C@@]2([H])OC(=O)[C@H](COC)[C@]2([H])[C@@H](O)CC3=C', '[H][C@@:44]13[CH2:39][C@H:74](O)[C:153](=[CH2:113])[C@:50]1([H])[C@@:79]2([H])O[C:174](=O)[C@H:48]([CH2:72]O[CH3:59])[C@:56]2([H])[C@@H:73](O)[CH2:42][C:143]3=[CH2:116]', '25 27 H 16.58 -8.40 H 17.27 -11.08 H 18.13 -11.05 H 15.77 -11.82 C:14 17.70 -7.19 C:15 13.53 -12.00 C:13001 21.89 -15.60 O 17.70 -15.67 O 12.59 -9.02 O 20.78 -11.05 C:13 20.27 -13.81 C:9 19.06 -9.34 C:2 15.11 -8.50 O 20.56 -15.17 O 16.52 -13.36 C:10 17.70 -8.68 C:4 14.42 -10.80 C:12 17.70 -14.20 C:3 13.94 -9.41 C:8 19.40 -10.80 C:11 18.88 -13.36 C:1 16.36 -9.34 C:6 16.97 -11.96 C:7 18.45 -11.96 C:5 16.03 -10.80 22 1 -2 23 2 -1 24 3 -2 25 4 -2 5 16 2 6 17 2 7 14 1 8 18 2 19 9 -1 20 10 -2 11 14 1 21 11 -1 12 16 1 12 20 1 13 19 1 13 22 1 15 18 1 15 23 1 16 22 1 17 19 1 17 25 1 18 21 1 20 24 1 21 24 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.58 -8.40 H 17.27 -11.08 H 18.13 -11.05 H 15.77 -11.82 C 17.70 -7.19 C 13.53 -12.00 C 21.89 -15.60 O 17.70 -15.67 O 12.59 -9.02 O 20.78 -11.05 C 20.27 -13.81 C 19.06 -9.34 C 15.11 -8.50 O 20.56 -15.17 O 16.52 -13.36 C 17.70 -8.68 C 14.42 -10.80 C 17.70 -14.20 C 13.94 -9.41 C 19.40 -10.80 C 18.88 -13.36 C 16.36 -9.34 C 16.97 -11.96 C 18.45 -11.96 C 16.03 -10.80 22 1 -2 23 2 -1 24 3 -2 25 4 -2 5 16 2 6 17 2 7 14 1 8 18 2 19 9 -1 20 10 -2 11 14 1 21 11 -1 12 16 1 12 20 1 13 19 1 13 22 1 15 18 1 15 23 1 16 22 1 17 19 1 17 25 1 18 21 1 20 24 1 21 24 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.58 -8.40 H 17.27 -11.08 H 18.13 -11.05 H 15.77 -11.82 C:116 17.70 -7.19 C:113 13.53 -12.00 C:59 21.89 -15.60 O 17.70 -15.67 O 12.59 -9.02 O 20.78 -11.05 C:72 20.27 -13.81 C:42 19.06 -9.34 C:39 15.11 -8.50 O 20.56 -15.17 O 16.52 -13.36 C:143 17.70 -8.68 C:153 14.42 -10.80 C:174 17.70 -14.20 C:74 13.94 -9.41 C:73 19.40 -10.80 C:48 18.88 -13.36 C:44 16.36 -9.34 C:79 16.97 -11.96 C:56 18.45 -11.96 C:50 16.03 -10.80 22 1 -2 23 2 -1 24 3 -2 25 4 -2 5 16 2 6 17 2 7 14 1 8 18 2 19 9 -1 20 10 -2 11 14 1 21 11 -1 12 16 1 12 20 1 13 19 1 13 22 1 15 18 1 15 23 1 16 22 1 17 19 1 17 25 1 18 21 1 20 24 1 21 24 1 22 25 1 23 24 1 23 25 1', 'C16H22O5', 294.2, 'C', 'npr07_221_2', 5148, '', '', '1', 55, NULL, NULL),
(20501, 'Nephthediol', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:15]=[C:4]1[CH2:5][CH2:6][CH:7]([CH:11]([CH3:12])[CH3:13])[C:8](=O)[CH2:9][CH:10](O)[CH2:1][CH2:2][CH:3]1O', 'C=C1CCC(C(C)C)C(=O)CC(O)CCC1O', '[CH2:110]=[C:152]1[CH2:33][CH2:24][CH:50]([CH:28]([CH3:17])[CH3:22])[C:210](=O)[CH2:49][CH:75](O)[CH2:40][CH2:28][CH:79]1O', '17 17 C:15 14.33 -12.51 C:12 18.74 -14.88 C:13 20.93 -13.68 O 21.13 -11.65 O 18.21 -8.00 O 13.38 -9.71 C:5 16.65 -11.39 C:1 16.97 -10.01 C:6 17.52 -12.47 C:2 15.80 -9.21 C:9 19.48 -10.01 C:4 15.15 -11.39 C:8 19.79 -11.39 C:11 19.53 -13.72 C:10 18.21 -9.40 C:3 14.70 -10.08 C:7 18.91 -12.47 1 12 2 2 14 1 3 14 1 4 13 2 5 15 1 6 16 1 7 9 1 7 12 1 8 10 1 8 15 1 9 17 1 10 16 1 11 13 1 11 15 1 12 16 1 13 17 1 14 17 1', '17 17 C 14.33 -12.51 C 18.74 -14.88 C 20.93 -13.68 O 21.13 -11.65 O 18.21 -8.00 O 13.38 -9.71 C 16.65 -11.39 C 16.97 -10.01 C 17.52 -12.47 C 15.80 -9.21 C 19.48 -10.01 C 15.15 -11.39 C 19.79 -11.39 C 19.53 -13.72 C 18.21 -9.40 C 14.70 -10.08 C 18.91 -12.47 1 12 2 2 14 1 3 14 1 4 13 2 5 15 1 6 16 1 7 9 1 7 12 1 8 10 1 8 15 1 9 17 1 10 16 1 11 13 1 11 15 1 12 16 1 13 17 1 14 17 1', '17 17 C:110 14.33 -12.51 C:17 18.74 -14.88 C:22 20.93 -13.68 O 21.13 -11.65 O 18.21 -8.00 O 13.38 -9.71 C:33 16.65 -11.39 C:40 16.97 -10.01 C:24 17.52 -12.47 C:28 15.80 -9.21 C:49 19.48 -10.01 C:152 15.15 -11.39 C:210 19.79 -11.39 C:28 19.53 -13.72 C:75 18.21 -9.40 C:79 14.70 -10.08 C:50 18.91 -12.47 1 12 2 2 14 1 3 14 1 4 13 2 5 15 1 6 16 1 7 9 1 7 12 1 8 10 1 8 15 1 9 17 1 10 16 1 11 13 1 11 15 1 12 16 1 13 17 1 14 17 1', 'C14H24O3', 240.148, 'C', 'npr08_1605_1', 5149, '', '', '1', 55, NULL, NULL),
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(20512, 'Salicylihalamide A', '', 'Aromatics', 'Phenyl-alkanoids', 'Macrocycles', '[CH3:26][CH2:25]/[CH:24]=[CH:23][CH:22]=[CH:21]/[C:20](=O)N/[CH:18]=[CH:17]/[CH2:16][C@H:15]2[CH2:14][C@@H:13](O)[C@@H:12]([CH3:12001])[CH2:11][CH:10]=[CH:9][CH2:8][c:7]1[cH:6][cH:5][cH:4][c:3](O)[c:2]1[C:1](=O)O2', 'CC/C=CC=C/C(=O)N/C=C/C[C@H]2C[C@@H](O)[C@@H](C)CC=CCc1cccc(O)c1C(=O)O2', '[CH3:14][CH2:22]/[CH:143]=[CH:125][CH:138]=[CH:120]/[C:166](=O)N/[CH:126]=[CH:110]/[CH2:38][C@H:76]2[CH2:37][C@@H:72](O)[C@@H:39]([CH3:14])[CH2:39][CH:132]=[CH:131][CH2:39][c:141]1[cH:123][cH:132][cH:115][c:157](O)[c:123]1[C:171](=O)O2', '32 33 C:26 23.40 -6.50 C:12001 19.68 -14.27 O 20.90 -12.16 O 15.99 -14.98 O 12.34 -12.87 O 16.74 -15.10 C:23 20.93 -7.91 C:22 22.15 -8.63 C:24 20.93 -6.50 C:9 15.99 -16.37 C:10 17.25 -17.10 C:17 17.25 -10.05 C:18 18.47 -10.75 C:21 22.15 -10.05 C:5 11.11 -16.37 C:4 11.11 -14.98 C:6 12.34 -17.10 C:25 22.18 -5.80 C:8 14.79 -17.10 C:11 18.47 -16.37 C:16 15.99 -10.75 C:14 17.25 -12.87 N 19.68 -10.05 O 14.79 -12.87 C:20 20.90 -10.75 C:1 14.79 -14.27 C:3 12.34 -14.27 C:7 13.57 -16.37 C:2 13.57 -14.98 C:12 18.47 -14.98 C:13 17.25 -14.27 C:15 15.99 -12.16 1 18 1 30 2 -1 3 25 2 4 26 2 5 27 1 31 6 -2 7 8 1 7 9 2 8 14 2 9 18 1 10 11 2 10 19 1 11 20 1 12 13 2 12 21 1 13 23 1 14 25 1 15 16 2 15 17 1 16 27 1 17 28 2 19 28 1 20 30 1 32 21 -1 22 31 1 22 32 1 23 25 1 24 26 1 24 32 1 26 29 1 27 29 2 28 29 1 30 31 1', '32 33 C 23.40 -6.50 C 19.68 -14.27 O 20.90 -12.16 O 15.99 -14.98 O 12.34 -12.87 O 16.74 -15.10 C 20.93 -7.91 C 22.15 -8.63 C 20.93 -6.50 C 15.99 -16.37 C 17.25 -17.10 C 17.25 -10.05 C 18.47 -10.75 C 22.15 -10.05 C 11.11 -16.37 C 11.11 -14.98 C 12.34 -17.10 C 22.18 -5.80 C 14.79 -17.10 C 18.47 -16.37 C 15.99 -10.75 C 17.25 -12.87 N 19.68 -10.05 O 14.79 -12.87 C 20.90 -10.75 C 14.79 -14.27 C 12.34 -14.27 C 13.57 -16.37 C 13.57 -14.98 C 18.47 -14.98 C 17.25 -14.27 C 15.99 -12.16 1 18 1 30 2 -1 3 25 2 4 26 2 5 27 1 31 6 -2 7 8 1 7 9 2 8 14 2 9 18 1 10 11 2 10 19 1 11 20 1 12 13 2 12 21 1 13 23 1 14 25 1 15 16 2 15 17 1 16 27 1 17 28 2 19 28 1 20 30 1 32 21 -1 22 31 1 22 32 1 23 25 1 24 26 1 24 32 1 26 29 1 27 29 2 28 29 1 30 31 1', '32 33 C:14 23.40 -6.50 C:14 19.68 -14.27 O 20.90 -12.16 O 15.99 -14.98 O 12.34 -12.87 O 16.74 -15.10 C:125 20.93 -7.91 C:138 22.15 -8.63 C:143 20.93 -6.50 C:131 15.99 -16.37 C:132 17.25 -17.10 C:110 17.25 -10.05 C:126 18.47 -10.75 C:120 22.15 -10.05 C:132 11.11 -16.37 C:115 11.11 -14.98 C:123 12.34 -17.10 C:22 22.18 -5.80 C:39 14.79 -17.10 C:39 18.47 -16.37 C:38 15.99 -10.75 C:37 17.25 -12.87 N 19.68 -10.05 O 14.79 -12.87 C:166 20.90 -10.75 C:171 14.79 -14.27 C:157 12.34 -14.27 C:141 13.57 -16.37 C:123 13.57 -14.98 C:39 18.47 -14.98 C:72 17.25 -14.27 C:76 15.99 -12.16 1 18 1 30 2 -1 3 25 2 4 26 2 5 27 1 31 6 -2 7 8 1 7 9 2 8 14 2 9 18 1 10 11 2 10 19 1 11 20 1 12 13 2 12 21 1 13 23 1 14 25 1 15 16 2 15 17 1 16 27 1 17 28 2 19 28 1 20 30 1 32 21 -1 22 31 1 22 32 1 23 25 1 24 26 1 24 32 1 26 29 1 27 29 2 28 29 1 30 31 1', 'C26H33NO5', 439.282, 'M', 'jo97_8188_1', 5155, 'Correction of absolute stereoquemistry in agw00_4308', '', '1', 55, 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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