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
(9581, 'Dehydrocostus lactone, 10alpha(14)-epoxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]34[CH2:8][CH2:9][C@:10]1([CH2:14]O1)[C@:1]2([H])[CH2:2][CH2:3][C:4](=[CH2:15])[C@:5]2([H])[C@@:6]3([H])O[C:12](=O)[C:11]4=[CH2:13]', '[H][C@@]34CC[C@]1(CO1)[C@]2([H])CCC(=C)[C@]2([H])[C@@]3([H])OC(=O)C4=C', '[H][C@@:45]34[CH2:29][CH2:33][C@:58]1([CH2:52]O1)[C@:47]2([H])[CH2:26][CH2:32][C:151](=[CH2:110])[C@:51]2([H])[C@@:84]3([H])O[C:170](=O)[C:140]4=[CH2:121]', '22 25 H 16.78 -10.66 H 15.22 -7.97 H 15.92 -10.66 H 14.41 -11.39 C:15 12.16 -11.57 C:13 18.93 -13.38 O 16.35 -15.27 C:3 12.57 -8.98 C:2 13.75 -8.07 C:8 18.05 -10.38 C:9 17.71 -8.91 C:14 17.03 -7.05 O 15.62 -7.05 O 15.16 -12.92 C:4 13.06 -10.38 C:11 17.53 -12.92 C:12 16.35 -13.77 C:7 17.10 -11.57 C:1 15.00 -8.91 C:6 15.62 -11.57 C:5 14.67 -10.38 C:10 16.35 -8.25 18 1 -2 19 2 -2 20 3 -1 21 4 -2 5 15 2 6 16 2 7 17 2 8 9 1 8 15 1 9 19 1 10 11 1 10 18 1 11 22 1 12 13 1 22 12 -1 22 13 -2 14 17 1 14 20 1 15 21 1 16 17 1 16 18 1 18 20 1 19 21 1 19 22 1 20 21 1', '22 25 H 16.78 -10.66 H 15.22 -7.97 H 15.92 -10.66 H 14.41 -11.39 C 12.16 -11.57 C 18.93 -13.38 O 16.35 -15.27 C 12.57 -8.98 C 13.75 -8.07 C 18.05 -10.38 C 17.71 -8.91 C 17.03 -7.05 O 15.62 -7.05 O 15.16 -12.92 C 13.06 -10.38 C 17.53 -12.92 C 16.35 -13.77 C 17.10 -11.57 C 15.00 -8.91 C 15.62 -11.57 C 14.67 -10.38 C 16.35 -8.25 18 1 -2 19 2 -2 20 3 -1 21 4 -2 5 15 2 6 16 2 7 17 2 8 9 1 8 15 1 9 19 1 10 11 1 10 18 1 11 22 1 12 13 1 22 12 -1 22 13 -2 14 17 1 14 20 1 15 21 1 16 17 1 16 18 1 18 20 1 19 21 1 19 22 1 20 21 1', '22 25 H 16.78 -10.66 H 15.22 -7.97 H 15.92 -10.66 H 14.41 -11.39 C:110 12.16 -11.57 C:121 18.93 -13.38 O 16.35 -15.27 C:32 12.57 -8.98 C:26 13.75 -8.07 C:29 18.05 -10.38 C:33 17.71 -8.91 C:52 17.03 -7.05 O 15.62 -7.05 O 15.16 -12.92 C:151 13.06 -10.38 C:140 17.53 -12.92 C:170 16.35 -13.77 C:45 17.10 -11.57 C:47 15.00 -8.91 C:84 15.62 -11.57 C:51 14.67 -10.38 C:58 16.35 -8.25 18 1 -2 19 2 -2 20 3 -1 21 4 -2 5 15 2 6 16 2 7 17 2 8 9 1 8 15 1 9 19 1 10 11 1 10 18 1 11 22 1 12 13 1 22 12 -1 22 13 -2 14 17 1 14 20 1 15 21 1 16 17 1 16 18 1 18 20 1 19 21 1 19 22 1 20 21 1', 'C15H18O3', 246.19, 'C', 'np98_1181_3b', 295, '', '', '1', 42, NULL, NULL),
(9582, 'Dehydrocostus lactone, 4beta(15),10r(14)-diepoxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]45[CH2:8][CH2:9][C@:10]1([CH2:14]O1)[C@:1]3([H])[CH2:2][CH2:3][C@@:4]2([CH2:15]O2)[C@:5]3([H])[C@@:6]4([H])O[C:12](=O)[C:11]5=[CH2:13]', '[H][C@@]45CC[C@]1(CO1)[C@]3([H])CC[C@@]2(CO2)[C@]3([H])[C@@]4([H])OC(=O)C5=C', '[H][C@@:45]45[CH2:28][CH2:38][C@:57]1([CH2:48]O1)[C@:44]3([H])[CH2:22][CH2:33][C@@:65]2([CH2:49]O2)[C@:47]3([H])[C@@:81]4([H])O[C:170](=O)[C:139]5=[CH2:121]', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C:13 19.74 -12.85 O 17.16 -14.73 C:8 18.86 -9.82 C:2 14.55 -7.52 C:9 18.52 -8.37 C:3 13.37 -8.44 C:14 17.84 -6.47 C:15 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C:11 18.34 -12.40 C:12 17.16 -13.24 C:7 17.91 -10.99 C:1 15.81 -8.37 C:6 16.42 -10.99 C:10 17.16 -7.71 C:4 13.86 -9.84 C:5 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -1 12 14 1 22 12 -2 21 13 -2 22 14 -1 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C 19.74 -12.85 O 17.16 -14.73 C 18.86 -9.82 C 14.55 -7.52 C 18.52 -8.37 C 13.37 -8.44 C 17.84 -6.47 C 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C 18.34 -12.40 C 17.16 -13.24 C 17.91 -10.99 C 15.81 -8.37 C 16.42 -10.99 C 17.16 -7.71 C 13.86 -9.84 C 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -1 12 14 1 22 12 -2 21 13 -2 22 14 -1 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C:121 19.74 -12.85 O 17.16 -14.73 C:28 18.86 -9.82 C:22 14.55 -7.52 C:38 18.52 -8.37 C:33 13.37 -8.44 C:48 17.84 -6.47 C:49 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C:139 18.34 -12.40 C:170 17.16 -13.24 C:45 17.91 -10.99 C:44 15.81 -8.37 C:81 16.42 -10.99 C:57 17.16 -7.71 C:65 13.86 -9.84 C:47 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -1 12 14 1 22 12 -2 21 13 -2 22 14 -1 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', 'C15H18O4', 262.19, 'C', 'np98_1181_4a', 295, '', '', '1', 42, NULL, NULL),
(9583, 'Dehydrocostus lactone, 4alpha(15),10alpha(14)-diepoxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]45[CH2:8][CH2:9][C@:10]1([CH2:14]O1)[C@:1]3([H])[CH2:2][CH2:3][C@:4]2([CH2:15]O2)[C@:5]3([H])[C@@:6]4([H])O[C:12](=O)[C:11]5=[CH2:13]', '[H][C@@]45CC[C@]1(CO1)[C@]3([H])CC[C@]2(CO2)[C@]3([H])[C@@]4([H])OC(=O)C5=C', '[H][C@@:46]45[CH2:26][CH2:31][C@:58]1([CH2:50]O1)[C@:45]3([H])[CH2:25][CH2:30][C@:66]2([CH2:55]O2)[C@:53]3([H])[C@@:81]4([H])O[C:170](=O)[C:140]5=[CH2:121]', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C:13 19.74 -12.85 O 17.16 -14.73 C:8 18.86 -9.82 C:2 14.55 -7.52 C:9 18.52 -8.37 C:3 13.37 -8.44 C:14 17.84 -6.47 C:15 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C:11 18.34 -12.40 C:12 17.16 -13.24 C:7 17.91 -10.99 C:1 15.81 -8.37 C:6 16.42 -10.99 C:10 17.16 -7.71 C:4 13.86 -9.84 C:5 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -1 12 14 1 22 12 -1 21 13 -2 22 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C 19.74 -12.85 O 17.16 -14.73 C 18.86 -9.82 C 14.55 -7.52 C 18.52 -8.37 C 13.37 -8.44 C 17.84 -6.47 C 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C 18.34 -12.40 C 17.16 -13.24 C 17.91 -10.99 C 15.81 -8.37 C 16.42 -10.99 C 17.16 -7.71 C 13.86 -9.84 C 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -1 12 14 1 22 12 -1 21 13 -2 22 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C:121 19.74 -12.85 O 17.16 -14.73 C:26 18.86 -9.82 C:25 14.55 -7.52 C:31 18.52 -8.37 C:30 13.37 -8.44 C:50 17.84 -6.47 C:55 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C:140 18.34 -12.40 C:170 17.16 -13.24 C:46 17.91 -10.99 C:45 15.81 -8.37 C:81 16.42 -10.99 C:58 17.16 -7.71 C:66 13.86 -9.84 C:53 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -1 12 14 1 22 12 -1 21 13 -2 22 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', 'C15H18O4', 262.19, 'C', 'np98_1181_4b', 295, '', '', '1', 42, NULL, NULL),
(9584, 'Dehydrocostus lactone, 4alpha(15),10beta(14)-diepoxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]45[CH2:8][CH2:9][C@@:10]1([CH2:14]O1)[C@:1]3([H])[CH2:2][CH2:3][C@:4]2([CH2:15]O2)[C@:5]3([H])[C@@:6]4([H])O[C:12](=O)[C:11]5=[CH2:13]', '[H][C@@]45CC[C@@]1(CO1)[C@]3([H])CC[C@]2(CO2)[C@]3([H])[C@@]4([H])OC(=O)C5=C', '[H][C@@:47]45[CH2:25][CH2:33][C@@:59]1([CH2:51]O1)[C@:44]3([H])[CH2:25][CH2:31][C@:67]2([CH2:54]O2)[C@:53]3([H])[C@@:82]4([H])O[C:170](=O)[C:139]5=[CH2:121]', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C:13 19.74 -12.85 O 17.16 -14.73 C:8 18.86 -9.82 C:2 14.55 -7.52 C:9 18.52 -8.37 C:3 13.37 -8.44 C:14 17.84 -6.47 C:15 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C:11 18.34 -12.40 C:12 17.16 -13.24 C:7 17.91 -10.99 C:1 15.81 -8.37 C:6 16.42 -10.99 C:10 17.16 -7.71 C:4 13.86 -9.84 C:5 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -2 12 14 1 22 12 -1 21 13 -1 22 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C 19.74 -12.85 O 17.16 -14.73 C 18.86 -9.82 C 14.55 -7.52 C 18.52 -8.37 C 13.37 -8.44 C 17.84 -6.47 C 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C 18.34 -12.40 C 17.16 -13.24 C 17.91 -10.99 C 15.81 -8.37 C 16.42 -10.99 C 17.16 -7.71 C 13.86 -9.84 C 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -2 12 14 1 22 12 -1 21 13 -1 22 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', '23 27 H 17.59 -10.09 H 16.03 -7.42 H 16.72 -10.12 H 15.22 -10.85 C:121 19.74 -12.85 O 17.16 -14.73 C:25 18.86 -9.82 C:25 14.55 -7.52 C:33 18.52 -8.37 C:31 13.37 -8.44 C:51 17.84 -6.47 C:54 13.65 -11.22 O 16.43 -6.49 O 12.55 -10.35 O 15.97 -12.40 C:139 18.34 -12.40 C:170 17.16 -13.24 C:47 17.91 -10.99 C:44 15.81 -8.37 C:82 16.42 -10.99 C:59 17.16 -7.71 C:67 13.86 -9.84 C:53 15.48 -9.82 18 1 -2 19 2 -2 20 3 -1 23 4 -2 5 16 2 6 17 2 7 9 1 7 18 1 8 10 1 8 19 1 9 21 1 10 22 1 11 13 1 21 11 -2 12 14 1 22 12 -1 21 13 -1 22 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 21 1 19 23 1 20 23 1 22 23 1', 'C15H18O4', 262.19, 'C', 'np98_1181_4c', 295, '', '', '1', 42, 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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(9620, 'Americanolide F', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]23[CH2:9][C@H:10]([CH3:14])[C@:1]1([H])[CH2:2][CH2:3][C:4]([CH3:15])=[C:5]1[CH2:6][C:7]2=[C:11]([CH3:13])[C:12](=O)O3', '[H][C@]23C[C@H](C)[C@]1([H])CCC(C)=C1CC2=C(C)C(=O)O3', '[H][C@:81]23[CH2:40][C@H:34]([CH3:14])[C@:54]1([H])[CH2:28][CH2:37][C:129]([CH3:14])=[C:137]1[CH2:26][C:163]2=[C:123]([CH3:9])[C:175](=O)O3', '19 21 H 17.92 -10.30 H 14.49 -8.54 C:15 11.58 -12.23 C:13 16.61 -14.66 C:14 15.58 -7.58 O 19.58 -13.81 C:3 11.96 -9.72 C:2 13.08 -8.84 C:6 14.86 -12.23 C:9 16.89 -9.65 O 18.45 -11.56 C:4 12.43 -11.08 C:11 17.10 -13.34 C:12 18.45 -12.96 C:7 16.31 -12.23 C:5 13.98 -11.08 C:10 15.58 -9.02 C:8 17.21 -11.06 C:1 14.30 -9.65 18 1 -1 19 2 -2 3 12 1 4 13 1 17 5 -1 6 14 2 7 8 1 7 12 1 8 19 1 9 15 1 9 16 1 10 17 1 10 18 1 11 14 1 11 18 1 12 16 2 13 14 1 13 15 2 15 18 1 16 19 1 17 19 1', '19 21 H 17.92 -10.30 H 14.49 -8.54 C 11.58 -12.23 C 16.61 -14.66 C 15.58 -7.58 O 19.58 -13.81 C 11.96 -9.72 C 13.08 -8.84 C 14.86 -12.23 C 16.89 -9.65 O 18.45 -11.56 C 12.43 -11.08 C 17.10 -13.34 C 18.45 -12.96 C 16.31 -12.23 C 13.98 -11.08 C 15.58 -9.02 C 17.21 -11.06 C 14.30 -9.65 18 1 -1 19 2 -2 3 12 1 4 13 1 17 5 -1 6 14 2 7 8 1 7 12 1 8 19 1 9 15 1 9 16 1 10 17 1 10 18 1 11 14 1 11 18 1 12 16 2 13 14 1 13 15 2 15 18 1 16 19 1 17 19 1', '19 21 H 17.92 -10.30 H 14.49 -8.54 C:14 11.58 -12.23 C:9 16.61 -14.66 C:14 15.58 -7.58 O 19.58 -13.81 C:37 11.96 -9.72 C:28 13.08 -8.84 C:26 14.86 -12.23 C:40 16.89 -9.65 O 18.45 -11.56 C:129 12.43 -11.08 C:123 17.10 -13.34 C:175 18.45 -12.96 C:163 16.31 -12.23 C:137 13.98 -11.08 C:34 15.58 -9.02 C:81 17.21 -11.06 C:54 14.30 -9.65 18 1 -1 19 2 -2 3 12 1 4 13 1 17 5 -1 6 14 2 7 8 1 7 12 1 8 19 1 9 15 1 9 16 1 10 17 1 10 18 1 11 14 1 11 18 1 12 16 2 13 14 1 13 15 2 15 18 1 16 19 1 17 19 1', 'C15H20O2', 232.175, 'C', 'np97_207_5', 1895, '', '', '1', 39, NULL, NULL),
(9621, 'Methoxyamericanolide G', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[CH3:8001]O[C@:8]23[CH2:9][C@@H:10]([CH3:14])[C:1]1=[CH:2][CH2:3][C:4]([CH3:15])=[C:5]1[CH2:6][C:7]2=[C:11]([CH3:13])[C:12](=O)O3', 'CO[C@]23C[C@@H](C)C1=CCC(C)=C1CC2=C(C)C(=O)O3', '[CH3:50]O[C@:109]23[CH2:46][C@@H:28]([CH3:20])[C:152]1=[CH:121][CH2:44][C:133]([CH3:13])=[C:138]1[CH2:23][C:158]2=[C:125]([CH3:8])[C:172](=O)O3', '19 21 C:8001 19.37 -10.22 C:15 11.63 -12.21 C:13 16.55 -14.59 C:14 15.54 -7.67 O 19.48 -13.75 C:2 13.10 -8.89 C:3 12.01 -9.76 C:6 14.84 -12.21 C:9 16.82 -9.69 O 18.01 -10.01 O 18.36 -11.57 C:4 12.46 -11.09 C:11 17.03 -13.29 C:12 18.36 -12.93 C:1 14.29 -9.69 C:5 13.97 -11.09 C:7 16.25 -12.21 C:10 15.54 -9.07 C:8 17.14 -11.09 1 10 1 2 12 1 3 13 1 18 4 -2 5 14 2 6 7 1 6 15 2 7 12 1 8 16 1 8 17 1 9 18 1 9 19 1 19 10 -1 11 14 1 11 19 1 12 16 2 13 14 1 13 17 2 15 16 1 15 18 1 17 19 1', '19 21 C 19.37 -10.22 C 11.63 -12.21 C 16.55 -14.59 C 15.54 -7.67 O 19.48 -13.75 C 13.10 -8.89 C 12.01 -9.76 C 14.84 -12.21 C 16.82 -9.69 O 18.01 -10.01 O 18.36 -11.57 C 12.46 -11.09 C 17.03 -13.29 C 18.36 -12.93 C 14.29 -9.69 C 13.97 -11.09 C 16.25 -12.21 C 15.54 -9.07 C 17.14 -11.09 1 10 1 2 12 1 3 13 1 18 4 -2 5 14 2 6 7 1 6 15 2 7 12 1 8 16 1 8 17 1 9 18 1 9 19 1 19 10 -1 11 14 1 11 19 1 12 16 2 13 14 1 13 17 2 15 16 1 15 18 1 17 19 1', '19 21 C:50 19.37 -10.22 C:13 11.63 -12.21 C:8 16.55 -14.59 C:20 15.54 -7.67 O 19.48 -13.75 C:121 13.10 -8.89 C:44 12.01 -9.76 C:23 14.84 -12.21 C:46 16.82 -9.69 O 18.01 -10.01 O 18.36 -11.57 C:133 12.46 -11.09 C:125 17.03 -13.29 C:172 18.36 -12.93 C:152 14.29 -9.69 C:138 13.97 -11.09 C:158 16.25 -12.21 C:28 15.54 -9.07 C:109 17.14 -11.09 1 10 1 2 12 1 3 13 1 18 4 -2 5 14 2 6 7 1 6 15 2 7 12 1 8 16 1 8 17 1 9 18 1 9 19 1 19 10 -1 11 14 1 11 19 1 12 16 2 13 14 1 13 17 2 15 16 1 15 18 1 17 19 1', 'C16H20O3', 260.169, 'C', 'np97_207_6', 1895, '', '', '1', 39, NULL, NULL),
(9622, '10alpha-Hydroxy-14H-inuviscolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]23[CH2:9][C@@:10]([CH3:14])(O)[C@@:1]1([H])[CH2:2][CH2:3][C@@:4]([CH3:15])(O)[C@:5]1([H])[CH2:6][C@:7]2([H])[C:11](=[CH2:13])[C:12](=O)O3', '[H][C@]23C[C@@](C)(O)[C@@]1([H])CC[C@@](C)(O)[C@]1([H])C[C@]2([H])C(=C)C(=O)O3', '[H][C@:79]23[CH2:48][C@@:72]([CH3:25])(O)[C@@:51]1([H])[CH2:23][CH2:41][C@@:79]([CH3:23])(O)[C@:49]1([H])[CH2:28][C@:50]2([H])[C:141](=[CH2:118])[C:170](=O)O3', '23 25 H 18.75 -9.57 H 16.68 -12.35 H 15.20 -7.77 H 14.40 -11.38 C:13 17.38 -14.09 C:15 11.77 -10.98 C:14 16.99 -7.03 O 20.46 -13.20 O 12.88 -11.78 O 15.59 -7.06 C:2 13.74 -8.07 C:3 12.57 -8.98 C:9 17.68 -8.91 C:6 15.58 -11.53 O 19.30 -10.91 C:11 17.91 -12.72 C:12 19.30 -12.35 C:8 18.02 -10.38 C:7 17.07 -11.53 C:1 14.99 -8.91 C:5 14.66 -10.38 C:4 13.07 -10.38 C:10 16.32 -8.26 18 1 -1 19 2 -2 20 3 -1 21 4 -2 5 16 2 22 6 -1 23 7 -1 8 17 2 22 9 -2 23 10 -2 11 12 1 11 20 1 12 22 1 13 18 1 13 23 1 14 19 1 14 21 1 15 17 1 15 18 1 16 17 1 16 19 1 18 19 1 20 21 1 20 23 1 21 22 1', '23 25 H 18.75 -9.57 H 16.68 -12.35 H 15.20 -7.77 H 14.40 -11.38 C 17.38 -14.09 C 11.77 -10.98 C 16.99 -7.03 O 20.46 -13.20 O 12.88 -11.78 O 15.59 -7.06 C 13.74 -8.07 C 12.57 -8.98 C 17.68 -8.91 C 15.58 -11.53 O 19.30 -10.91 C 17.91 -12.72 C 19.30 -12.35 C 18.02 -10.38 C 17.07 -11.53 C 14.99 -8.91 C 14.66 -10.38 C 13.07 -10.38 C 16.32 -8.26 18 1 -1 19 2 -2 20 3 -1 21 4 -2 5 16 2 22 6 -1 23 7 -1 8 17 2 22 9 -2 23 10 -2 11 12 1 11 20 1 12 22 1 13 18 1 13 23 1 14 19 1 14 21 1 15 17 1 15 18 1 16 17 1 16 19 1 18 19 1 20 21 1 20 23 1 21 22 1', '23 25 H 18.75 -9.57 H 16.68 -12.35 H 15.20 -7.77 H 14.40 -11.38 C:118 17.38 -14.09 C:23 11.77 -10.98 C:25 16.99 -7.03 O 20.46 -13.20 O 12.88 -11.78 O 15.59 -7.06 C:23 13.74 -8.07 C:41 12.57 -8.98 C:48 17.68 -8.91 C:28 15.58 -11.53 O 19.30 -10.91 C:141 17.91 -12.72 C:170 19.30 -12.35 C:79 18.02 -10.38 C:50 17.07 -11.53 C:51 14.99 -8.91 C:49 14.66 -10.38 C:79 13.07 -10.38 C:72 16.32 -8.26 18 1 -1 19 2 -2 20 3 -1 21 4 -2 5 16 2 22 6 -1 23 7 -1 8 17 2 22 9 -2 23 10 -2 11 12 1 11 20 1 12 22 1 13 18 1 13 23 1 14 19 1 14 21 1 15 17 1 15 18 1 16 17 1 16 19 1 18 19 1 20 21 1 20 23 1 21 22 1', 'C15H22O4', 266.19, 'D', 'np97_550_1', 1567, '', '', '1', 39, NULL, NULL),
(9623, '4alpha,5alpha-Epoxy-10alpha,11beta,13H,14H-1-epi-inuviscolide3-beta-D-glucoside', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]45[CH2:9][C@H:10]([CH3:14])[C@:1]2([H])[CH2:2][C@H:3](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@@:4]3([CH3:15])O[C@@:5]23[CH2:6][C@:7]4([H])[C@@H:11]([CH3:13])[C:12](=O)O5', '[H][C@]45C[C@H](C)[C@]2([H])C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]3(C)O[C@@]23C[C@]4([H])[C@@H](C)C(=O)O5', '[H][C@:84]45[CH2:42][C@H:36]([CH3:15])[C@:43]2([H])[CH2:36][C@H:82](O[C@@H:103]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@@:71]3([CH3:13])O[C@@:71]23[CH2:30][C@:48]4([H])[C@@H:42]([CH3:11])[C:182](=O)O5', '33 37 H 20.64 -11.85 H 17.14 -10.07 H 18.61 -14.59 C:14 18.25 -9.09 C:13 19.33 -16.26 C:15 14.17 -13.81 O 22.34 -15.43 O 14.30 -4.85 O 9.90 -7.33 O 11.94 -5.41 O 10.54 -10.05 C:106 14.62 -6.21 C:9 19.59 -11.20 C:2 15.71 -10.37 C:6 17.52 -13.81 O 13.92 -8.54 O 13.22 -10.86 O 21.19 -13.14 O 15.84 -13.81 C:12 21.19 -14.59 C:10 18.25 -10.56 C:11 19.81 -14.95 C:103 11.24 -7.73 C:104 12.26 -6.77 C:102 11.56 -9.09 C:105 13.60 -7.17 C:101 12.90 -9.50 C:3 14.56 -11.26 C:8 19.92 -12.64 C:1 16.93 -11.20 C:7 18.99 -13.81 C:4 15.04 -12.64 C:5 16.61 -12.64 29 1 -1 30 2 -2 31 3 -2 21 4 -1 22 5 -2 32 6 -1 7 20 2 8 12 1 23 9 -1 24 10 -2 25 11 -2 26 12 -1 13 21 1 13 29 1 14 28 1 14 30 1 15 31 1 15 33 1 16 26 1 16 27 1 27 17 -1 28 17 -1 18 20 1 18 29 1 19 32 1 33 19 -2 20 22 1 21 30 1 22 31 1 23 24 1 23 25 1 24 26 1 25 27 1 28 32 1 29 31 1 30 33 1 32 33 1', '33 37 H 20.64 -11.85 H 17.14 -10.07 H 18.61 -14.59 C 18.25 -9.09 C 19.33 -16.26 C 14.17 -13.81 O 22.34 -15.43 O 14.30 -4.85 O 9.90 -7.33 O 11.94 -5.41 O 10.54 -10.05 C 14.62 -6.21 C 19.59 -11.20 C 15.71 -10.37 C 17.52 -13.81 O 13.92 -8.54 O 13.22 -10.86 O 21.19 -13.14 O 15.84 -13.81 C 21.19 -14.59 C 18.25 -10.56 C 19.81 -14.95 C 11.24 -7.73 C 12.26 -6.77 C 11.56 -9.09 C 13.60 -7.17 C 12.90 -9.50 C 14.56 -11.26 C 19.92 -12.64 C 16.93 -11.20 C 18.99 -13.81 C 15.04 -12.64 C 16.61 -12.64 29 1 -1 30 2 -2 31 3 -2 21 4 -1 22 5 -2 32 6 -1 7 20 2 8 12 1 23 9 -1 24 10 -2 25 11 -2 26 12 -1 13 21 1 13 29 1 14 28 1 14 30 1 15 31 1 15 33 1 16 26 1 16 27 1 27 17 -1 28 17 -1 18 20 1 18 29 1 19 32 1 33 19 -2 20 22 1 21 30 1 22 31 1 23 24 1 23 25 1 24 26 1 25 27 1 28 32 1 29 31 1 30 33 1 32 33 1', '33 37 H 20.64 -11.85 H 17.14 -10.07 H 18.61 -14.59 C:15 18.25 -9.09 C:11 19.33 -16.26 C:13 14.17 -13.81 O 22.34 -15.43 O 14.30 -4.85 O 9.90 -7.33 O 11.94 -5.41 O 10.54 -10.05 C:63 14.62 -6.21 C:42 19.59 -11.20 C:36 15.71 -10.37 C:30 17.52 -13.81 O 13.92 -8.54 O 13.22 -10.86 O 21.19 -13.14 O 15.84 -13.81 C:182 21.19 -14.59 C:36 18.25 -10.56 C:42 19.81 -14.95 C:78 11.24 -7.73 C:72 12.26 -6.77 C:75 11.56 -9.09 C:78 13.60 -7.17 C:103 12.90 -9.50 C:82 14.56 -11.26 C:84 19.92 -12.64 C:43 16.93 -11.20 C:48 18.99 -13.81 C:71 15.04 -12.64 C:71 16.61 -12.64 29 1 -1 30 2 -2 31 3 -2 21 4 -1 22 5 -2 32 6 -1 7 20 2 8 12 1 23 9 -1 24 10 -2 25 11 -2 26 12 -1 13 21 1 13 29 1 14 28 1 14 30 1 15 31 1 15 33 1 16 26 1 16 27 1 27 17 -1 28 17 -1 18 20 1 18 29 1 19 32 1 33 19 -2 20 22 1 21 30 1 22 31 1 23 24 1 23 25 1 24 26 1 25 27 1 28 32 1 29 31 1 30 33 1 32 33 1', 'C21H32O9', 428.243, 'M', 'np97_550_2', 1567, '', '', '1', 39, 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
(9624, '8-epi-Confertin', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]23[CH2:9][C@H:10]([CH3:14])[C@:1]1([H])[CH2:2][CH2:3][C:4](=O)[C@@:5]1([CH3:15])[CH2:6][C@:7]2([H])[C:11](=[CH2:13])[C:12](=O)O3', '[H][C@]23C[C@H](C)[C@]1([H])CCC(=O)[C@@]1(C)C[C@]2([H])C(=C)C(=O)O3', '[H][C@:80]23[CH2:42][C@H:32]([CH3:17])[C@:47]1([H])[CH2:24][CH2:35][C:221](=O)[C@@:51]1([CH3:23])[CH2:35][C@:45]2([H])[C:140](=[CH2:120])[C:170](=O)O3', '21 23 H 17.94 -10.29 H 15.91 -13.02 H 14.44 -8.49 C:13 16.60 -14.73 C:14 15.55 -7.51 C:15 13.11 -12.17 O 19.64 -13.86 O 11.49 -12.17 C:3 11.86 -9.70 C:2 13.01 -8.78 C:9 16.89 -9.63 C:6 14.82 -12.17 O 18.49 -11.58 C:11 17.11 -13.38 C:12 18.49 -13.02 C:4 12.34 -11.08 C:10 15.55 -8.97 C:8 17.22 -11.06 C:7 16.30 -12.17 C:1 14.24 -9.63 C:5 13.92 -11.08 18 1 -1 19 2 -2 20 3 -2 4 14 2 17 5 -1 21 6 -1 7 15 2 8 16 2 9 10 1 9 16 1 10 20 1 11 17 1 11 18 1 12 19 1 12 21 1 13 15 1 13 18 1 14 15 1 14 19 1 16 21 1 17 20 1 18 19 1 20 21 1', '21 23 H 17.94 -10.29 H 15.91 -13.02 H 14.44 -8.49 C 16.60 -14.73 C 15.55 -7.51 C 13.11 -12.17 O 19.64 -13.86 O 11.49 -12.17 C 11.86 -9.70 C 13.01 -8.78 C 16.89 -9.63 C 14.82 -12.17 O 18.49 -11.58 C 17.11 -13.38 C 18.49 -13.02 C 12.34 -11.08 C 15.55 -8.97 C 17.22 -11.06 C 16.30 -12.17 C 14.24 -9.63 C 13.92 -11.08 18 1 -1 19 2 -2 20 3 -2 4 14 2 17 5 -1 21 6 -1 7 15 2 8 16 2 9 10 1 9 16 1 10 20 1 11 17 1 11 18 1 12 19 1 12 21 1 13 15 1 13 18 1 14 15 1 14 19 1 16 21 1 17 20 1 18 19 1 20 21 1', '21 23 H 17.94 -10.29 H 15.91 -13.02 H 14.44 -8.49 C:120 16.60 -14.73 C:17 15.55 -7.51 C:23 13.11 -12.17 O 19.64 -13.86 O 11.49 -12.17 C:35 11.86 -9.70 C:24 13.01 -8.78 C:42 16.89 -9.63 C:35 14.82 -12.17 O 18.49 -11.58 C:140 17.11 -13.38 C:170 18.49 -13.02 C:221 12.34 -11.08 C:32 15.55 -8.97 C:80 17.22 -11.06 C:45 16.30 -12.17 C:47 14.24 -9.63 C:51 13.92 -11.08 18 1 -1 19 2 -2 20 3 -2 4 14 2 17 5 -1 21 6 -1 7 15 2 8 16 2 9 10 1 9 16 1 10 20 1 11 17 1 11 18 1 12 19 1 12 21 1 13 15 1 13 18 1 14 15 1 14 19 1 16 21 1 17 20 1 18 19 1 20 21 1', 'C15H20O3', 248.183, 'C', 'np97_550_6', 1567, '', '', '1', 39, NULL, NULL),
(9625, '4alpha,5alpha-Epoxy-10alpha,14H-1-epi-inuviscolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]34[CH2:9][C@H:10]([CH3:14])[C@:1]1([H])[CH2:2][CH2:3][C@@:4]2([CH3:15])O[C@@:5]12[CH2:6][C@:7]3([H])[C:11](=[CH2:13])[C:12](=O)O4', '[H][C@]34C[C@H](C)[C@]1([H])CC[C@@]2(C)O[C@@]12C[C@]3([H])C(=C)C(=O)O4', '[H][C@:83]34[CH2:40][C@H:35]([CH3:15])[C@:48]1([H])[CH2:31][CH2:33][C@@:70]2([CH3:16])O[C@@:70]12[CH2:29][C@:44]3([H])[C:139](=[CH2:119])[C:170](=O)O4', '21 24 H 17.94 -10.34 H 15.91 -13.08 H 14.44 -8.56 C:13 16.63 -14.75 C:14 15.55 -7.58 C:15 11.48 -12.30 O 19.64 -13.92 C:2 13.02 -8.86 C:3 11.87 -9.75 C:9 16.89 -9.69 C:6 14.82 -12.30 O 18.49 -11.63 O 13.15 -12.30 C:11 17.11 -13.44 C:12 18.49 -13.08 C:10 15.55 -9.05 C:8 17.22 -11.13 C:7 16.29 -12.30 C:1 14.24 -9.69 C:4 12.35 -11.13 C:5 13.92 -11.13 17 1 -1 18 2 -2 19 3 -2 4 14 2 16 5 -1 20 6 -1 7 15 2 8 9 1 8 19 1 9 20 1 10 16 1 10 17 1 11 18 1 11 21 1 12 15 1 12 17 1 13 20 1 21 13 -2 14 15 1 14 18 1 16 19 1 17 18 1 19 21 1 20 21 1', '21 24 H 17.94 -10.34 H 15.91 -13.08 H 14.44 -8.56 C 16.63 -14.75 C 15.55 -7.58 C 11.48 -12.30 O 19.64 -13.92 C 13.02 -8.86 C 11.87 -9.75 C 16.89 -9.69 C 14.82 -12.30 O 18.49 -11.63 O 13.15 -12.30 C 17.11 -13.44 C 18.49 -13.08 C 15.55 -9.05 C 17.22 -11.13 C 16.29 -12.30 C 14.24 -9.69 C 12.35 -11.13 C 13.92 -11.13 17 1 -1 18 2 -2 19 3 -2 4 14 2 16 5 -1 20 6 -1 7 15 2 8 9 1 8 19 1 9 20 1 10 16 1 10 17 1 11 18 1 11 21 1 12 15 1 12 17 1 13 20 1 21 13 -2 14 15 1 14 18 1 16 19 1 17 18 1 19 21 1 20 21 1', '21 24 H 17.94 -10.34 H 15.91 -13.08 H 14.44 -8.56 C:119 16.63 -14.75 C:15 15.55 -7.58 C:16 11.48 -12.30 O 19.64 -13.92 C:31 13.02 -8.86 C:33 11.87 -9.75 C:40 16.89 -9.69 C:29 14.82 -12.30 O 18.49 -11.63 O 13.15 -12.30 C:139 17.11 -13.44 C:170 18.49 -13.08 C:35 15.55 -9.05 C:83 17.22 -11.13 C:44 16.29 -12.30 C:48 14.24 -9.69 C:70 12.35 -11.13 C:70 13.92 -11.13 17 1 -1 18 2 -2 19 3 -2 4 14 2 16 5 -1 20 6 -1 7 15 2 8 9 1 8 19 1 9 20 1 10 16 1 10 17 1 11 18 1 11 21 1 12 15 1 12 17 1 13 20 1 21 13 -2 14 15 1 14 18 1 16 19 1 17 18 1 19 21 1 20 21 1', 'C15H20O3', 248.183, 'C', 'np97_550_7', 1567, '', '', '1', 39, NULL, NULL),
(9626, 'Inuviscolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]23[CH2:9][C:10](=[CH2:14])[C@@:1]1([H])[CH2:2][CH2:3][C@@:4]([CH3:15])(O)[C@:5]1([H])[CH2:6][C@:7]2([H])[C:11](=[CH2:13])[C:12](=O)O3', '[H][C@]23CC(=C)[C@@]1([H])CC[C@@](C)(O)[C@]1([H])C[C@]2([H])C(=C)C(=O)O3', '[H][C@:82]23[CH2:41][C:147](=[CH2:112])[C@@:47]1([H])[CH2:26][CH2:41][C@@:80]([CH3:24])(O)[C@:59]1([H])[CH2:30][C@:45]2([H])[C:140](=[CH2:120])[C:170](=O)O3', '22 24 H 18.21 -10.32 H 14.68 -8.51 H 16.16 -13.08 H 13.89 -12.12 C:14 15.80 -7.52 C:13 16.86 -14.81 C:15 12.28 -12.61 O 19.92 -13.93 O 11.27 -11.65 C:2 13.23 -8.81 C:3 12.08 -9.73 C:9 17.15 -9.65 C:6 15.06 -12.26 O 18.76 -11.65 C:10 15.80 -9.00 C:11 17.37 -13.45 C:12 18.76 -13.08 C:8 17.48 -11.12 C:1 14.48 -9.65 C:7 16.55 -12.26 C:5 14.15 -11.12 C:4 12.57 -11.12 18 1 -1 19 2 -1 20 3 -2 21 4 -2 5 15 2 6 16 2 22 7 -1 8 17 2 22 9 -2 10 11 1 10 19 1 11 22 1 12 15 1 12 18 1 13 20 1 13 21 1 14 17 1 14 18 1 15 19 1 16 17 1 16 20 1 18 20 1 19 21 1 21 22 1', '22 24 H 18.21 -10.32 H 14.68 -8.51 H 16.16 -13.08 H 13.89 -12.12 C 15.80 -7.52 C 16.86 -14.81 C 12.28 -12.61 O 19.92 -13.93 O 11.27 -11.65 C 13.23 -8.81 C 12.08 -9.73 C 17.15 -9.65 C 15.06 -12.26 O 18.76 -11.65 C 15.80 -9.00 C 17.37 -13.45 C 18.76 -13.08 C 17.48 -11.12 C 14.48 -9.65 C 16.55 -12.26 C 14.15 -11.12 C 12.57 -11.12 18 1 -1 19 2 -1 20 3 -2 21 4 -2 5 15 2 6 16 2 22 7 -1 8 17 2 22 9 -2 10 11 1 10 19 1 11 22 1 12 15 1 12 18 1 13 20 1 13 21 1 14 17 1 14 18 1 15 19 1 16 17 1 16 20 1 18 20 1 19 21 1 21 22 1', '22 24 H 18.21 -10.32 H 14.68 -8.51 H 16.16 -13.08 H 13.89 -12.12 C:112 15.80 -7.52 C:120 16.86 -14.81 C:24 12.28 -12.61 O 19.92 -13.93 O 11.27 -11.65 C:26 13.23 -8.81 C:41 12.08 -9.73 C:41 17.15 -9.65 C:30 15.06 -12.26 O 18.76 -11.65 C:147 15.80 -9.00 C:140 17.37 -13.45 C:170 18.76 -13.08 C:82 17.48 -11.12 C:47 14.48 -9.65 C:45 16.55 -12.26 C:59 14.15 -11.12 C:80 12.57 -11.12 18 1 -1 19 2 -1 20 3 -2 21 4 -2 5 15 2 6 16 2 22 7 -1 8 17 2 22 9 -2 10 11 1 10 19 1 11 22 1 12 15 1 12 18 1 13 20 1 13 21 1 14 17 1 14 18 1 15 19 1 16 17 1 16 20 1 18 20 1 19 21 1 21 22 1', 'C15H20O3', 248.19, 'C', 'np97_550_8', 1567, '', '', '1', 39, NULL, NULL),
(9627, '4alpha,5alpha-Epoxy-10alpha,14H-1-epi-inuviscolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]35[CH2:9][C@H:10]([CH3:14])[C@:1]2([H])[CH2:2][CH2:3][C@@:4]1([CH3:15])O[C@:5]12[CH2:6][C@:7]3([H])[C@:11]4([CH2:13]O4)[C:12](=O)O5', '[H][C@]35C[C@H](C)[C@]2([H])CC[C@@]1(C)O[C@]12C[C@]3([H])[C@]4(CO4)C(=O)O5', '[H][C@:83]35[CH2:41][C@H:35]([CH3:15])[C@:48]2([H])[CH2:29][CH2:33][C@@:70]1([CH3:15])O[C@:69]12[CH2:27][C@:40]3([H])[C@:58]4([CH2:47]O4)[C:173](=O)O5', '22 26 H 18.54 -9.75 H 15.02 -7.97 H 16.48 -12.48 C:14 16.12 -6.99 C:15 12.07 -11.70 O 20.23 -13.32 C:3 12.45 -9.17 C:2 13.60 -8.27 C:13 17.95 -14.22 C:9 17.48 -9.10 C:6 15.40 -11.70 O 16.62 -13.74 O 19.08 -11.03 O 13.73 -11.70 C:12 19.08 -12.48 C:10 16.12 -8.46 C:8 17.81 -10.54 C:4 12.93 -10.54 C:1 14.83 -9.10 C:7 16.88 -11.70 C:11 17.70 -12.84 C:5 14.51 -10.54 17 1 -1 19 2 -2 20 3 -2 16 4 -1 18 5 -1 6 15 2 7 8 1 7 18 1 8 19 1 9 12 1 21 9 -1 10 16 1 10 17 1 11 20 1 11 22 1 21 12 -2 13 15 1 13 17 1 14 18 1 22 14 -2 15 21 1 16 19 1 17 20 1 18 22 1 19 22 1 20 21 1', '22 26 H 18.54 -9.75 H 15.02 -7.97 H 16.48 -12.48 C 16.12 -6.99 C 12.07 -11.70 O 20.23 -13.32 C 12.45 -9.17 C 13.60 -8.27 C 17.95 -14.22 C 17.48 -9.10 C 15.40 -11.70 O 16.62 -13.74 O 19.08 -11.03 O 13.73 -11.70 C 19.08 -12.48 C 16.12 -8.46 C 17.81 -10.54 C 12.93 -10.54 C 14.83 -9.10 C 16.88 -11.70 C 17.70 -12.84 C 14.51 -10.54 17 1 -1 19 2 -2 20 3 -2 16 4 -1 18 5 -1 6 15 2 7 8 1 7 18 1 8 19 1 9 12 1 21 9 -1 10 16 1 10 17 1 11 20 1 11 22 1 21 12 -2 13 15 1 13 17 1 14 18 1 22 14 -2 15 21 1 16 19 1 17 20 1 18 22 1 19 22 1 20 21 1', '22 26 H 18.54 -9.75 H 15.02 -7.97 H 16.48 -12.48 C:15 16.12 -6.99 C:15 12.07 -11.70 O 20.23 -13.32 C:33 12.45 -9.17 C:29 13.60 -8.27 C:47 17.95 -14.22 C:41 17.48 -9.10 C:27 15.40 -11.70 O 16.62 -13.74 O 19.08 -11.03 O 13.73 -11.70 C:173 19.08 -12.48 C:35 16.12 -8.46 C:83 17.81 -10.54 C:70 12.93 -10.54 C:48 14.83 -9.10 C:40 16.88 -11.70 C:58 17.70 -12.84 C:69 14.51 -10.54 17 1 -1 19 2 -2 20 3 -2 16 4 -1 18 5 -1 6 15 2 7 8 1 7 18 1 8 19 1 9 12 1 21 9 -1 10 16 1 10 17 1 11 20 1 11 22 1 21 12 -2 13 15 1 13 17 1 14 18 1 22 14 -2 15 21 1 16 19 1 17 20 1 18 22 1 19 22 1 20 21 1', 'C15H20O4', 264.182, 'C', 'np97_550_13', 1567, '', '', '1', 39, NULL, NULL),
(9628, '2alpha-O-Acetyl-3beta-hydroxyalantolactone', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:7]23[CH:6]=[C:5]1[C@@H:4]([CH3:15])[C@@H:3](O)[C@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@:10]1([CH3:14])[CH2:9][C@@:8]2([H])O[C:12](=O)[C:11]3=[CH2:13]', '[H][C@]23C=C1[C@@H](C)[C@@H](O)[C@H](OC(C)=O)C[C@]1(C)C[C@@]2([H])OC(=O)C3=C', '[H][C@:39]23[CH:122]=[C:146]1[C@@H:44]([CH3:16])[C@@H:75](O)[C@H:71](O[C:170]([CH3:21])=O)[CH2:44][C@:33]1([CH3:30])[CH2:42][C@@:75]2([H])O[C:171](=O)[C:139]3=[CH2:122]', '24 26 H 18.11 -12.52 H 18.11 -9.03 C:13 19.92 -13.27 C:2002 9.42 -9.36 C:15 14.28 -13.66 C:14 15.54 -8.60 O 10.67 -11.45 O 21.73 -10.78 O 11.83 -12.23 C:6 16.83 -12.22 C:1 14.28 -9.35 C:9 16.83 -9.35 O 11.83 -9.35 O 19.48 -9.64 C:2001 10.67 -10.05 C:11 19.48 -11.92 C:12 20.32 -10.78 C:5 15.54 -11.52 C:4 14.28 -12.23 C:3 13.04 -11.52 C:2 13.04 -10.04 C:7 18.11 -11.52 C:8 18.11 -10.04 C:10 15.54 -10.04 22 1 -2 23 2 -2 3 16 2 4 15 1 19 5 -1 24 6 -1 7 15 2 8 17 2 20 9 -1 10 18 2 10 22 1 11 21 1 11 24 1 12 23 1 12 24 1 13 15 1 21 13 -2 14 17 1 14 23 1 16 17 1 16 22 1 18 19 1 18 24 1 19 20 1 20 21 1 22 23 1', '24 26 H 18.11 -12.52 H 18.11 -9.03 C 19.92 -13.27 C 9.42 -9.36 C 14.28 -13.66 C 15.54 -8.60 O 10.67 -11.45 O 21.73 -10.78 O 11.83 -12.23 C 16.83 -12.22 C 14.28 -9.35 C 16.83 -9.35 O 11.83 -9.35 O 19.48 -9.64 C 10.67 -10.05 C 19.48 -11.92 C 20.32 -10.78 C 15.54 -11.52 C 14.28 -12.23 C 13.04 -11.52 C 13.04 -10.04 C 18.11 -11.52 C 18.11 -10.04 C 15.54 -10.04 22 1 -2 23 2 -2 3 16 2 4 15 1 19 5 -1 24 6 -1 7 15 2 8 17 2 20 9 -1 10 18 2 10 22 1 11 21 1 11 24 1 12 23 1 12 24 1 13 15 1 21 13 -2 14 17 1 14 23 1 16 17 1 16 22 1 18 19 1 18 24 1 19 20 1 20 21 1 22 23 1', '24 26 H 18.11 -12.52 H 18.11 -9.03 C:122 19.92 -13.27 C:21 9.42 -9.36 C:16 14.28 -13.66 C:30 15.54 -8.60 O 10.67 -11.45 O 21.73 -10.78 O 11.83 -12.23 C:122 16.83 -12.22 C:44 14.28 -9.35 C:42 16.83 -9.35 O 11.83 -9.35 O 19.48 -9.64 C:170 10.67 -10.05 C:139 19.48 -11.92 C:171 20.32 -10.78 C:146 15.54 -11.52 C:44 14.28 -12.23 C:75 13.04 -11.52 C:71 13.04 -10.04 C:39 18.11 -11.52 C:75 18.11 -10.04 C:33 15.54 -10.04 22 1 -2 23 2 -2 3 16 2 4 15 1 19 5 -1 24 6 -1 7 15 2 8 17 2 20 9 -1 10 18 2 10 22 1 11 21 1 11 24 1 12 23 1 12 24 1 13 15 1 21 13 -2 14 17 1 14 23 1 16 17 1 16 22 1 18 19 1 18 24 1 19 20 1 20 21 1 22 23 1', 'C17H22O5', 306.195, 'C', 'np97_550_3', 1567, '', '', '1', 39, NULL, NULL),
(9629, '2alpha,3alpha-Dihydroxyalloalantolactone', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:8]23[CH2:9][C@@:10]1([CH3:14])[CH2:1][C@@H:2](O)[C@@H:3](O)[C:4]([CH3:15])=[C:5]1[CH2:6][C@:7]2([H])[C:11](=[CH2:13])[C:12](=O)O3', '[H][C@@]23C[C@@]1(C)C[C@@H](O)[C@@H](O)C(C)=C1C[C@]2([H])C(=C)C(=O)O3', '[H][C@@:78]23[CH2:44][C@@:37]1([CH3:27])[CH2:45][C@@H:72](O)[C@@H:79](O)[C:130]([CH3:15])=[C:136]1[CH2:29][C@:42]2([H])[C:142](=[CH2:123])[C:173](=O)O3', '21 23 H 16.87 -9.06 H 16.87 -12.55 C:13 18.67 -13.30 C:15 13.07 -13.70 C:14 14.31 -8.62 O 20.50 -10.81 O 10.64 -9.37 O 10.64 -12.25 C:6 15.60 -12.25 C:1 13.07 -9.37 C:9 15.60 -9.37 O 18.22 -9.66 C:11 18.22 -11.95 C:4 13.07 -12.25 C:12 19.06 -10.81 C:5 14.31 -11.54 C:2 11.82 -10.08 C:3 11.82 -11.54 C:8 16.87 -10.08 C:7 16.87 -11.54 C:10 14.31 -10.08 19 1 -2 20 2 -2 3 13 2 4 14 1 21 5 -1 6 15 2 17 7 -2 18 8 -2 9 16 1 9 20 1 10 17 1 10 21 1 11 19 1 11 21 1 12 15 1 12 19 1 13 15 1 13 20 1 14 16 2 14 18 1 16 21 1 17 18 1 19 20 1', '21 23 H 16.87 -9.06 H 16.87 -12.55 C 18.67 -13.30 C 13.07 -13.70 C 14.31 -8.62 O 20.50 -10.81 O 10.64 -9.37 O 10.64 -12.25 C 15.60 -12.25 C 13.07 -9.37 C 15.60 -9.37 O 18.22 -9.66 C 18.22 -11.95 C 13.07 -12.25 C 19.06 -10.81 C 14.31 -11.54 C 11.82 -10.08 C 11.82 -11.54 C 16.87 -10.08 C 16.87 -11.54 C 14.31 -10.08 19 1 -2 20 2 -2 3 13 2 4 14 1 21 5 -1 6 15 2 17 7 -2 18 8 -2 9 16 1 9 20 1 10 17 1 10 21 1 11 19 1 11 21 1 12 15 1 12 19 1 13 15 1 13 20 1 14 16 2 14 18 1 16 21 1 17 18 1 19 20 1', '21 23 H 16.87 -9.06 H 16.87 -12.55 C:123 18.67 -13.30 C:15 13.07 -13.70 C:27 14.31 -8.62 O 20.50 -10.81 O 10.64 -9.37 O 10.64 -12.25 C:29 15.60 -12.25 C:45 13.07 -9.37 C:44 15.60 -9.37 O 18.22 -9.66 C:142 18.22 -11.95 C:130 13.07 -12.25 C:173 19.06 -10.81 C:136 14.31 -11.54 C:72 11.82 -10.08 C:79 11.82 -11.54 C:78 16.87 -10.08 C:42 16.87 -11.54 C:37 14.31 -10.08 19 1 -2 20 2 -2 3 13 2 4 14 1 21 5 -1 6 15 2 17 7 -2 18 8 -2 9 16 1 9 20 1 10 17 1 10 21 1 11 19 1 11 21 1 12 15 1 12 19 1 13 15 1 13 20 1 14 16 2 14 18 1 16 21 1 17 18 1 19 20 1', 'C15H20O4', 264.174, 'C', 'np97_550_4', 1567, '', '', '1', 39, 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
(9645, '11a,13-Dihydroxerantholide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:8]23[CH2:9][C@H:10]([CH3:14])[C@:1]1([H])[CH2:2][C:3](=O)[C:4]([CH3:15])=[C:5]1[CH2:6][C@:7]2([H])[C@H:11]([CH3:13])[C:12](=O)O3', '[H][C@]23C[C@H](C)[C@]1([H])CC(=O)C(C)=C1C[C@]2([H])[C@H](C)C(=O)O3', '[H][C@:81]23[CH2:41][C@H:33]([CH3:13])[C@:45]1([H])[CH2:41][C:207](=O)[C:140]([CH3:8])=[C:170]1[CH2:28][C@:43]2([H])[C@H:40]([CH3:11])[C:179](=O)O3', '21 23 H 18.41 -10.32 H 14.92 -8.53 H 16.39 -13.05 C:15 11.95 -12.28 C:14 16.03 -7.55 C:13 17.08 -14.76 O 11.01 -9.33 O 20.11 -13.89 C:2 13.49 -8.83 C:6 15.30 -12.28 C:9 17.37 -9.66 O 18.96 -11.61 C:3 12.34 -9.73 C:4 12.82 -11.11 C:12 18.96 -13.05 C:5 14.40 -11.11 C:10 16.03 -9.02 C:11 17.58 -13.42 C:8 17.69 -11.09 C:1 14.72 -9.66 C:7 16.77 -12.28 19 1 -1 20 2 -2 21 3 -2 4 14 1 17 5 -1 18 6 -1 7 13 2 8 15 2 9 13 1 9 20 1 10 16 1 10 21 1 11 17 1 11 19 1 12 15 1 12 19 1 13 14 1 14 16 2 15 18 1 16 20 1 17 20 1 18 21 1 19 21 1', '21 23 H 18.41 -10.32 H 14.92 -8.53 H 16.39 -13.05 C 11.95 -12.28 C 16.03 -7.55 C 17.08 -14.76 O 11.01 -9.33 O 20.11 -13.89 C 13.49 -8.83 C 15.30 -12.28 C 17.37 -9.66 O 18.96 -11.61 C 12.34 -9.73 C 12.82 -11.11 C 18.96 -13.05 C 14.40 -11.11 C 16.03 -9.02 C 17.58 -13.42 C 17.69 -11.09 C 14.72 -9.66 C 16.77 -12.28 19 1 -1 20 2 -2 21 3 -2 4 14 1 17 5 -1 18 6 -1 7 13 2 8 15 2 9 13 1 9 20 1 10 16 1 10 21 1 11 17 1 11 19 1 12 15 1 12 19 1 13 14 1 14 16 2 15 18 1 16 20 1 17 20 1 18 21 1 19 21 1', '21 23 H 18.41 -10.32 H 14.92 -8.53 H 16.39 -13.05 C:8 11.95 -12.28 C:13 16.03 -7.55 C:11 17.08 -14.76 O 11.01 -9.33 O 20.11 -13.89 C:41 13.49 -8.83 C:28 15.30 -12.28 C:41 17.37 -9.66 O 18.96 -11.61 C:207 12.34 -9.73 C:140 12.82 -11.11 C:179 18.96 -13.05 C:170 14.40 -11.11 C:33 16.03 -9.02 C:40 17.58 -13.42 C:81 17.69 -11.09 C:45 14.72 -9.66 C:43 16.77 -12.28 19 1 -1 20 2 -2 21 3 -2 4 14 1 17 5 -1 18 6 -1 7 13 2 8 15 2 9 13 1 9 20 1 10 16 1 10 21 1 11 17 1 11 19 1 12 15 1 12 19 1 13 14 1 14 16 2 15 18 1 16 20 1 17 20 1 18 21 1 19 21 1', 'C15H20O3', 248.183, 'C', 'AT-348_b', 1528, '', '', '1', 39, NULL, NULL),
(9646, '8a-Hydroxyosmitopsin', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][CH2:3][C:4]([CH3:15])=[C:5]1[C@:6]2([H])O[C:12](=O)[C:11](=[CH2:13])[C@:7]2([H])[C@@H:8](O)[CH2:9][C@@H:10]3[CH3:14]', '[H][C@@]13CCC(C)=C1[C@]2([H])OC(=O)C(=C)[C@]2([H])[C@@H](O)C[C@@H]3C', '[H][C@@:52]13[CH2:25][CH2:39][C:137]([CH3:18])=[C:130]1[C@:79]2([H])O[C:170](=O)[C:136](=[CH2:126])[C@:48]2([H])[C@@H:67](O)[CH2:41][C@@H:31]3[CH3:15]', '21 23 H 15.58 -7.58 H 16.26 -10.23 H 17.11 -10.23 C:13 19.23 -12.93 C:15 12.54 -11.13 C:14 16.69 -6.38 O 16.69 -14.78 O 19.73 -10.23 C:3 12.95 -8.58 C:2 14.13 -7.68 C:9 18.03 -8.51 O 15.52 -12.48 C:4 13.43 -9.95 C:11 17.86 -12.48 C:12 16.69 -13.32 C:5 15.04 -9.95 C:10 16.69 -7.86 C:8 18.37 -9.95 C:1 15.36 -8.51 C:6 15.97 -11.13 C:7 17.43 -11.09 19 1 -2 20 2 -2 21 3 -2 4 14 2 5 13 1 17 6 -1 7 15 2 18 8 -2 9 10 1 9 13 1 10 19 1 11 17 1 11 18 1 12 15 1 12 20 1 13 16 2 14 15 1 14 21 1 16 19 1 16 20 1 17 19 1 18 21 1 20 21 1', '21 23 H 15.58 -7.58 H 16.26 -10.23 H 17.11 -10.23 C 19.23 -12.93 C 12.54 -11.13 C 16.69 -6.38 O 16.69 -14.78 O 19.73 -10.23 C 12.95 -8.58 C 14.13 -7.68 C 18.03 -8.51 O 15.52 -12.48 C 13.43 -9.95 C 17.86 -12.48 C 16.69 -13.32 C 15.04 -9.95 C 16.69 -7.86 C 18.37 -9.95 C 15.36 -8.51 C 15.97 -11.13 C 17.43 -11.09 19 1 -2 20 2 -2 21 3 -2 4 14 2 5 13 1 17 6 -1 7 15 2 18 8 -2 9 10 1 9 13 1 10 19 1 11 17 1 11 18 1 12 15 1 12 20 1 13 16 2 14 15 1 14 21 1 16 19 1 16 20 1 17 19 1 18 21 1 20 21 1', '21 23 H 15.58 -7.58 H 16.26 -10.23 H 17.11 -10.23 C:126 19.23 -12.93 C:18 12.54 -11.13 C:15 16.69 -6.38 O 16.69 -14.78 O 19.73 -10.23 C:39 12.95 -8.58 C:25 14.13 -7.68 C:41 18.03 -8.51 O 15.52 -12.48 C:137 13.43 -9.95 C:136 17.86 -12.48 C:170 16.69 -13.32 C:130 15.04 -9.95 C:31 16.69 -7.86 C:67 18.37 -9.95 C:52 15.36 -8.51 C:79 15.97 -11.13 C:48 17.43 -11.09 19 1 -2 20 2 -2 21 3 -2 4 14 2 5 13 1 17 6 -1 7 15 2 18 8 -2 9 10 1 9 13 1 10 19 1 11 17 1 11 18 1 12 15 1 12 20 1 13 16 2 14 15 1 14 21 1 16 19 1 16 20 1 17 19 1 18 21 1 20 21 1', 'C15H20O3', 248.183, 'C', 'AT-349_a', 233, '', '', '1', 39, NULL, NULL),
(9647, 'Pechueloic acid', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]12[CH2:2][C:3](=O)[C:4]([CH3:15])=[C:5]1[CH2:6][C@H:7]([C:11](=[CH2:12])[C:13](=O)O)[CH2:8][CH2:9][C@@H:10]2[CH3:14]', '[H][C@@]12CC(=O)C(C)=C1C[C@H](C(=C)C(=O)O)CC[C@@H]2C', '[H][C@@:46]12[CH2:41][C:210](=O)[C:138]([CH3:8])=[C:171]1[CH2:37][C@H:38]([C:146](=[CH2:125])[C:176](=O)O)[CH2:32][CH2:39][C@@H:35]2[CH3:12]', '19 20 H 15.24 -8.61 C:12 16.83 -14.60 C:15 12.38 -12.20 C:14 16.30 -7.66 O 19.73 -12.21 O 11.39 -9.36 O 19.73 -14.65 C:9 17.57 -9.68 C:8 17.90 -11.07 C:6 15.59 -12.20 C:2 13.86 -8.89 C:11 17.62 -13.43 C:13 19.02 -13.43 C:4 13.20 -11.07 C:3 12.74 -9.75 C:5 14.71 -11.07 C:10 16.30 -9.06 C:7 17.01 -12.20 C:1 15.04 -9.68 19 1 -2 2 12 2 3 14 1 17 4 -1 5 13 2 6 15 2 7 13 1 8 9 1 8 17 1 9 18 1 10 16 1 10 18 1 11 15 1 11 19 1 12 13 1 18 12 -1 14 15 1 14 16 2 16 19 1 17 19 1', '19 20 H 15.24 -8.61 C 16.83 -14.60 C 12.38 -12.20 C 16.30 -7.66 O 19.73 -12.21 O 11.39 -9.36 O 19.73 -14.65 C 17.57 -9.68 C 17.90 -11.07 C 15.59 -12.20 C 13.86 -8.89 C 17.62 -13.43 C 19.02 -13.43 C 13.20 -11.07 C 12.74 -9.75 C 14.71 -11.07 C 16.30 -9.06 C 17.01 -12.20 C 15.04 -9.68 19 1 -2 2 12 2 3 14 1 17 4 -1 5 13 2 6 15 2 7 13 1 8 9 1 8 17 1 9 18 1 10 16 1 10 18 1 11 15 1 11 19 1 12 13 1 18 12 -1 14 15 1 14 16 2 16 19 1 17 19 1', '19 20 H 15.24 -8.61 C:125 16.83 -14.60 C:8 12.38 -12.20 C:12 16.30 -7.66 O 19.73 -12.21 O 11.39 -9.36 O 19.73 -14.65 C:39 17.57 -9.68 C:32 17.90 -11.07 C:37 15.59 -12.20 C:41 13.86 -8.89 C:146 17.62 -13.43 C:176 19.02 -13.43 C:138 13.20 -11.07 C:210 12.74 -9.75 C:171 14.71 -11.07 C:35 16.30 -9.06 C:38 17.01 -12.20 C:46 15.04 -9.68 19 1 -2 2 12 2 3 14 1 17 4 -1 5 13 2 6 15 2 7 13 1 8 9 1 8 17 1 9 18 1 10 16 1 10 18 1 11 15 1 11 19 1 12 13 1 18 12 -1 14 15 1 14 16 2 16 19 1 17 19 1', 'C15H20O3', 248.167, 'C', 'AT-349_b', 1528, '', '', '1', 39, NULL, NULL),
(9648, '11,13-Dihydropechueloic acid', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]12[CH2:2][C:3](=O)[C:4]([CH3:15])=[C:5]1[CH2:6][C@H:7]([CH:11]([CH3:12])[C:13](=O)O)[CH2:8][CH2:9][C@@H:10]2[CH3:14]', '[H][C@@]12CC(=O)C(C)=C1C[C@H](C(C)C(=O)O)CC[C@@H]2C', '[H][C@@:46]12[CH2:41][C:209](=O)[C:137]([CH3:7])=[C:176]1[CH2:29][C@H:38]([CH:45]([CH3:12])[C:179](=O)O)[CH2:28][CH2:38][C@@H:36]2[CH3:12]', '19 20 H 15.22 -8.60 C:15 12.37 -12.18 C:14 16.28 -7.66 C:12 16.81 -14.59 O 19.71 -12.19 O 11.38 -9.35 O 19.71 -14.64 C:9 17.60 -9.67 C:8 17.88 -11.06 C:6 15.57 -12.18 C:2 13.84 -8.88 C:4 13.19 -11.06 C:13 19.00 -13.42 C:3 12.73 -9.74 C:5 14.70 -11.06 C:10 16.28 -9.05 C:11 17.60 -13.42 C:7 16.99 -12.18 C:1 15.02 -9.67 19 1 -2 2 12 1 16 3 -1 4 17 1 5 13 2 6 14 2 7 13 1 8 9 1 8 16 1 9 18 1 10 15 1 10 18 1 11 14 1 11 19 1 12 14 1 12 15 2 13 17 1 15 19 1 16 19 1 18 17 -1', '19 20 H 15.22 -8.60 C 12.37 -12.18 C 16.28 -7.66 C 16.81 -14.59 O 19.71 -12.19 O 11.38 -9.35 O 19.71 -14.64 C 17.60 -9.67 C 17.88 -11.06 C 15.57 -12.18 C 13.84 -8.88 C 13.19 -11.06 C 19.00 -13.42 C 12.73 -9.74 C 14.70 -11.06 C 16.28 -9.05 C 17.60 -13.42 C 16.99 -12.18 C 15.02 -9.67 19 1 -2 2 12 1 16 3 -1 4 17 1 5 13 2 6 14 2 7 13 1 8 9 1 8 16 1 9 18 1 10 15 1 10 18 1 11 14 1 11 19 1 12 14 1 12 15 2 13 17 1 15 19 1 16 19 1 18 17 -1', '19 20 H 15.22 -8.60 C:7 12.37 -12.18 C:12 16.28 -7.66 C:12 16.81 -14.59 O 19.71 -12.19 O 11.38 -9.35 O 19.71 -14.64 C:38 17.60 -9.67 C:28 17.88 -11.06 C:29 15.57 -12.18 C:41 13.84 -8.88 C:137 13.19 -11.06 C:179 19.00 -13.42 C:209 12.73 -9.74 C:176 14.70 -11.06 C:36 16.28 -9.05 C:45 17.60 -13.42 C:38 16.99 -12.18 C:46 15.02 -9.67 19 1 -2 2 12 1 16 3 -1 4 17 1 5 13 2 6 14 2 7 13 1 8 9 1 8 16 1 9 18 1 10 15 1 10 18 1 11 14 1 11 19 1 12 14 1 12 15 2 13 17 1 15 19 1 16 19 1 18 17 -1', 'C15H22O3', 250.167, 'C', 'AT-350_a', 1528, '', '', '1', 39, 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
(9691, 'Vernolide-B', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:8004][CH:8003]=[C:8002]([CH3:8201])[C:8001](=O)O[C@H:8]2[CH2:9][C@@H:10]([CH3:14])[C@:1]3(O[CH3:1001])[CH2:2][CH2:3][C@:4]([CH3:15])([CH:5]=[c:6]1o[c:12](=O)[c:11]([CH2:13]O[C:13001]([CH3:13002])=O)[c:7]12)O3', 'CC=C(C)C(=O)O[C@H]2C[C@@H](C)[C@]3(OC)CC[C@](C)(C=c1oc(=O)c(COC(C)=O)c12)O3', '[CH3:14][CH:138]=[C:128]([CH3:12])[C:168](=O)O[C@H:68]2[CH2:36][C@@H:43]([CH3:17])[C@:111]3(O[CH3:49])[CH2:33][CH2:40][C@:80]([CH3:27])([CH:127]=[c:146]1o[c:168](=O)[c:130]([CH2:55]O[C:170]([CH3:21])=O)[c:150]12)O3', '31 33 C:8004 19.45 -5.95 C:1001 10.46 -9.52 C:13002 21.77 -13.13 C:8201 19.36 -8.73 C:14 12.76 -8.30 C:15 11.72 -13.99 O 20.62 -10.96 O 15.74 -7.93 O 17.71 -15.23 C:8003 18.19 -6.61 C:5 13.15 -13.21 C:13 18.19 -12.21 C:3 10.67 -12.21 C:2 10.67 -10.65 C:9 14.64 -9.64 O 11.82 -9.35 O 19.36 -12.98 O 16.93 -10.02 O 12.92 -11.44 O 15.31 -14.45 C:13001 20.62 -12.37 C:8002 18.19 -7.99 C:8001 16.93 -8.65 C:11 16.93 -12.83 C:7 15.68 -12.21 C:12 16.69 -14.22 C:6 14.64 -13.21 C:10 13.15 -9.64 C:8 15.68 -10.65 C:4 12.08 -12.62 C:1 12.08 -10.24 1 10 1 2 16 1 3 21 1 4 22 1 28 5 -2 30 6 -2 7 21 2 8 23 2 9 26 2 10 22 2 11 27 2 11 30 1 12 17 1 12 24 1 13 14 1 13 30 1 14 31 1 15 28 1 15 29 1 31 16 -2 17 21 1 18 23 1 29 18 -2 19 30 1 19 31 1 20 26 1 20 27 1 22 23 1 24 25 2 24 26 1 25 27 1 25 29 1 28 31 1', '31 33 C 19.45 -5.95 C 10.46 -9.52 C 21.77 -13.13 C 19.36 -8.73 C 12.76 -8.30 C 11.72 -13.99 O 20.62 -10.96 O 15.74 -7.93 O 17.71 -15.23 C 18.19 -6.61 C 13.15 -13.21 C 18.19 -12.21 C 10.67 -12.21 C 10.67 -10.65 C 14.64 -9.64 O 11.82 -9.35 O 19.36 -12.98 O 16.93 -10.02 O 12.92 -11.44 O 15.31 -14.45 C 20.62 -12.37 C 18.19 -7.99 C 16.93 -8.65 C 16.93 -12.83 C 15.68 -12.21 C 16.69 -14.22 C 14.64 -13.21 C 13.15 -9.64 C 15.68 -10.65 C 12.08 -12.62 C 12.08 -10.24 1 10 1 2 16 1 3 21 1 4 22 1 28 5 -2 30 6 -2 7 21 2 8 23 2 9 26 2 10 22 2 11 27 2 11 30 1 12 17 1 12 24 1 13 14 1 13 30 1 14 31 1 15 28 1 15 29 1 31 16 -2 17 21 1 18 23 1 29 18 -2 19 30 1 19 31 1 20 26 1 20 27 1 22 23 1 24 25 2 24 26 1 25 27 1 25 29 1 28 31 1', '31 33 C:14 19.45 -5.95 C:49 10.46 -9.52 C:21 21.77 -13.13 C:12 19.36 -8.73 C:17 12.76 -8.30 C:27 11.72 -13.99 O 20.62 -10.96 O 15.74 -7.93 O 17.71 -15.23 C:138 18.19 -6.61 C:127 13.15 -13.21 C:55 18.19 -12.21 C:40 10.67 -12.21 C:33 10.67 -10.65 C:36 14.64 -9.64 O 11.82 -9.35 O 19.36 -12.98 O 16.93 -10.02 O 12.92 -11.44 O 15.31 -14.45 C:170 20.62 -12.37 C:128 18.19 -7.99 C:168 16.93 -8.65 C:130 16.93 -12.83 C:150 15.68 -12.21 C:168 16.69 -14.22 C:146 14.64 -13.21 C:43 13.15 -9.64 C:68 15.68 -10.65 C:80 12.08 -12.62 C:111 12.08 -10.24 1 10 1 2 16 1 3 21 1 4 22 1 28 5 -2 30 6 -2 7 21 2 8 23 2 9 26 2 10 22 2 11 27 2 11 30 1 12 17 1 12 24 1 13 14 1 13 30 1 14 31 1 15 28 1 15 29 1 31 16 -2 17 21 1 18 23 1 29 18 -2 19 30 1 19 31 1 20 26 1 20 27 1 22 23 1 24 25 2 24 26 1 25 27 1 25 29 1 28 31 1', 'C23H30O8', 434.241, 'C', 'cpb03_425_2', 1225, '', '', '1', 32, NULL, NULL),
(9692, '', ' 8b-(Angeloyloxy)-4b,6a,15-trihydroxy-14-oxoguaia-9,11(13)-dien-12-oic acid 12,6-lactone', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][CH2:3][C@@:4](O)([CH2:15]O)[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11](=[CH2:13])[C@:7]2([H])[C@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8004])[CH:9]=[C:10]3[CH:14]=O', '[H][C@@]13CC[C@@](O)(CO)[C@]1([H])[C@@]2([H])OC(=O)C(=C)[C@]2([H])[C@H](OC(=O)C(C)=CC)C=C3C=O', '[H][C@@:39]13[CH2:32][CH2:36][C@@:84](O)([CH2:70]O)[C@:52]1([H])[C@@:77]2([H])O[C:168](=O)[C:134](=[CH2:123])[C@:48]2([H])[C@H:64](O[C:167](=O)[C:127]([CH3:21])=[CH:141][CH3:16])[CH:143]=[C:147]3[CH:195]=O', '31 33 H 14.31 -7.82 H 15.00 -10.55 H 15.86 -10.55 H 13.50 -11.29 C:13 18.00 -13.26 C:8004 21.36 -7.44 C:8201 21.21 -11.18 O 16.60 -6.01 O 19.00 -8.17 O 15.43 -15.15 O 10.56 -12.20 O 10.85 -10.76 C:8003 21.75 -8.78 C:14 15.43 -6.70 C:9 16.78 -8.78 C:15 11.87 -11.73 C:2 12.83 -7.92 C:3 11.65 -8.85 O 18.47 -10.55 O 14.25 -12.82 C:8002 20.79 -9.85 C:11 16.60 -12.82 C:8001 19.42 -9.54 C:12 15.43 -13.65 C:10 15.43 -8.10 C:8 17.12 -10.25 C:1 14.09 -8.78 C:6 14.70 -11.42 C:7 16.17 -11.42 C:5 13.75 -10.25 C:4 12.14 -10.25 27 1 -2 28 2 -1 29 3 -2 30 4 -2 5 22 2 6 13 1 7 21 1 8 14 2 9 23 2 10 24 2 11 16 1 31 12 -1 13 21 2 14 25 1 15 25 2 15 26 1 31 16 -2 17 18 1 17 27 1 18 31 1 19 23 1 26 19 -1 20 24 1 20 28 1 21 23 1 22 24 1 22 29 1 25 27 1 26 29 1 27 30 1 28 29 1 28 30 1 30 31 1', '31 33 H 14.31 -7.82 H 15.00 -10.55 H 15.86 -10.55 H 13.50 -11.29 C 18.00 -13.26 C 21.36 -7.44 C 21.21 -11.18 O 16.60 -6.01 O 19.00 -8.17 O 15.43 -15.15 O 10.56 -12.20 O 10.85 -10.76 C 21.75 -8.78 C 15.43 -6.70 C 16.78 -8.78 C 11.87 -11.73 C 12.83 -7.92 C 11.65 -8.85 O 18.47 -10.55 O 14.25 -12.82 C 20.79 -9.85 C 16.60 -12.82 C 19.42 -9.54 C 15.43 -13.65 C 15.43 -8.10 C 17.12 -10.25 C 14.09 -8.78 C 14.70 -11.42 C 16.17 -11.42 C 13.75 -10.25 C 12.14 -10.25 27 1 -2 28 2 -1 29 3 -2 30 4 -2 5 22 2 6 13 1 7 21 1 8 14 2 9 23 2 10 24 2 11 16 1 31 12 -1 13 21 2 14 25 1 15 25 2 15 26 1 31 16 -2 17 18 1 17 27 1 18 31 1 19 23 1 26 19 -1 20 24 1 20 28 1 21 23 1 22 24 1 22 29 1 25 27 1 26 29 1 27 30 1 28 29 1 28 30 1 30 31 1', '31 33 H 14.31 -7.82 H 15.00 -10.55 H 15.86 -10.55 H 13.50 -11.29 C:123 18.00 -13.26 C:16 21.36 -7.44 C:21 21.21 -11.18 O 16.60 -6.01 O 19.00 -8.17 O 15.43 -15.15 O 10.56 -12.20 O 10.85 -10.76 C:141 21.75 -8.78 C:195 15.43 -6.70 C:143 16.78 -8.78 C:70 11.87 -11.73 C:32 12.83 -7.92 C:36 11.65 -8.85 O 18.47 -10.55 O 14.25 -12.82 C:127 20.79 -9.85 C:134 16.60 -12.82 C:167 19.42 -9.54 C:168 15.43 -13.65 C:147 15.43 -8.10 C:64 17.12 -10.25 C:39 14.09 -8.78 C:77 14.70 -11.42 C:48 16.17 -11.42 C:52 13.75 -10.25 C:84 12.14 -10.25 27 1 -2 28 2 -1 29 3 -2 30 4 -2 5 22 2 6 13 1 7 21 1 8 14 2 9 23 2 10 24 2 11 16 1 31 12 -1 13 21 2 14 25 1 15 25 2 15 26 1 31 16 -2 17 18 1 17 27 1 18 31 1 19 23 1 26 19 -1 20 24 1 20 28 1 21 23 1 22 24 1 22 29 1 25 27 1 26 29 1 27 30 1 28 29 1 28 30 1 30 31 1', 'C20H24O7', 376.242, 'C', 'hca05_160_1', 2475, '', '', '1', 32, NULL, NULL),
(9693, '', ' 4b,6a,15-Trihydroxy-8b-(isobutyryloxy)-14-oxoguaia-9,11(13).dien-12-oic acid 12,6-lactone', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][CH2:3][C@@:4](O)([CH2:15]O)[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11](=[CH2:13])[C@:7]2([H])[C@H:8](O[C:8001](=O)[CH:8002]([CH3:8004])[CH3:8003])[CH:9]=[C:10]3[CH:14]=O', '[H][C@@]13CC[C@@](O)(CO)[C@]1([H])[C@@]2([H])OC(=O)C(=C)[C@]2([H])[C@H](OC(=O)C(C)C)C=C3C=O', '[H][C@@:39]13[CH2:32][CH2:36][C@@:84](O)([CH2:70]O)[C@:52]1([H])[C@@:77]2([H])O[C:168](=O)[C:134](=[CH2:122])[C@:48]2([H])[C@H:64](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[CH:142]=[C:147]3[CH:195]=O', '30 32 H 13.75 -8.38 H 14.44 -11.11 H 15.30 -11.11 H 12.94 -11.85 C:13 17.44 -13.82 C:8004 20.65 -11.74 C:8003 21.19 -9.35 O 16.04 -6.56 O 14.87 -15.71 O 18.44 -8.74 O 9.99 -12.76 O 10.28 -11.32 C:14 14.87 -7.26 C:9 16.22 -9.35 C:15 11.31 -12.29 C:2 12.27 -8.48 C:3 11.09 -9.42 O 17.91 -11.11 O 13.69 -13.38 C:11 16.04 -13.38 C:12 14.87 -14.21 C:8001 18.86 -10.09 C:10 14.87 -8.66 C:8002 20.23 -10.40 C:8 16.56 -10.81 C:1 13.53 -9.35 C:6 14.14 -11.98 C:7 15.61 -11.98 C:5 13.19 -10.81 C:4 11.58 -10.81 26 1 -2 27 2 -1 28 3 -2 29 4 -2 5 20 2 6 24 1 7 24 1 8 13 2 9 21 2 10 22 2 11 15 1 30 12 -1 13 23 1 14 23 2 14 25 1 30 15 -2 16 17 1 16 26 1 17 30 1 18 22 1 25 18 -1 19 21 1 19 27 1 20 21 1 20 28 1 22 24 1 23 26 1 25 28 1 26 29 1 27 28 1 27 29 1 29 30 1', '30 32 H 13.75 -8.38 H 14.44 -11.11 H 15.30 -11.11 H 12.94 -11.85 C 17.44 -13.82 C 20.65 -11.74 C 21.19 -9.35 O 16.04 -6.56 O 14.87 -15.71 O 18.44 -8.74 O 9.99 -12.76 O 10.28 -11.32 C 14.87 -7.26 C 16.22 -9.35 C 11.31 -12.29 C 12.27 -8.48 C 11.09 -9.42 O 17.91 -11.11 O 13.69 -13.38 C 16.04 -13.38 C 14.87 -14.21 C 18.86 -10.09 C 14.87 -8.66 C 20.23 -10.40 C 16.56 -10.81 C 13.53 -9.35 C 14.14 -11.98 C 15.61 -11.98 C 13.19 -10.81 C 11.58 -10.81 26 1 -2 27 2 -1 28 3 -2 29 4 -2 5 20 2 6 24 1 7 24 1 8 13 2 9 21 2 10 22 2 11 15 1 30 12 -1 13 23 1 14 23 2 14 25 1 30 15 -2 16 17 1 16 26 1 17 30 1 18 22 1 25 18 -1 19 21 1 19 27 1 20 21 1 20 28 1 22 24 1 23 26 1 25 28 1 26 29 1 27 28 1 27 29 1 29 30 1', '30 32 H 13.75 -8.38 H 14.44 -11.11 H 15.30 -11.11 H 12.94 -11.85 C:122 17.44 -13.82 C:19 20.65 -11.74 C:19 21.19 -9.35 O 16.04 -6.56 O 14.87 -15.71 O 18.44 -8.74 O 9.99 -12.76 O 10.28 -11.32 C:195 14.87 -7.26 C:142 16.22 -9.35 C:70 11.31 -12.29 C:32 12.27 -8.48 C:36 11.09 -9.42 O 17.91 -11.11 O 13.69 -13.38 C:134 16.04 -13.38 C:168 14.87 -14.21 C:176 18.86 -10.09 C:147 14.87 -8.66 C:34 20.23 -10.40 C:64 16.56 -10.81 C:39 13.53 -9.35 C:77 14.14 -11.98 C:48 15.61 -11.98 C:52 13.19 -10.81 C:84 11.58 -10.81 26 1 -2 27 2 -1 28 3 -2 29 4 -2 5 20 2 6 24 1 7 24 1 8 13 2 9 21 2 10 22 2 11 15 1 30 12 -1 13 23 1 14 23 2 14 25 1 30 15 -2 16 17 1 16 26 1 17 30 1 18 22 1 25 18 -1 19 21 1 19 27 1 20 21 1 20 28 1 22 24 1 23 26 1 25 28 1 26 29 1 27 28 1 27 29 1 29 30 1', 'C19H24O7', 364.231, 'C', 'hca05_160_2', 2475, '', '', '1', 32, NULL, NULL),
(9694, '', '11,12,13-Trinorguai-6-ene-4b,10b-diol', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:5]12[CH:6]=[CH:7][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=CCC[C@](C)(O)[C@]1([H])CC[C@]2(C)O', '[H][C@@:51]12[CH:130]=[CH:132][CH2:24][CH2:43][C@:75]([CH3:22])(O)[C@:51]1([H])[CH2:22][CH2:40][C@:80]2([CH3:23])O', '16 17 H 15.15 -13.09 H 15.93 -9.58 C:15 13.65 -13.50 C:14 17.74 -8.83 O 12.54 -12.64 O 16.30 -8.84 C:7 17.74 -13.23 C:6 16.30 -13.23 C:8 18.64 -12.09 C:9 18.32 -10.69 C:3 13.38 -10.76 C:2 14.52 -9.87 C:4 13.85 -12.11 C:10 17.02 -10.06 C:5 15.40 -12.09 C:1 15.72 -10.69 15 1 -2 16 2 -2 13 3 -2 14 4 -2 13 5 -1 14 6 -1 7 8 2 7 9 1 8 15 1 9 10 1 10 14 1 11 12 1 11 13 1 12 16 1 13 15 1 14 16 1 15 16 1', '16 17 H 15.15 -13.09 H 15.93 -9.58 C 13.65 -13.50 C 17.74 -8.83 O 12.54 -12.64 O 16.30 -8.84 C 17.74 -13.23 C 16.30 -13.23 C 18.64 -12.09 C 18.32 -10.69 C 13.38 -10.76 C 14.52 -9.87 C 13.85 -12.11 C 17.02 -10.06 C 15.40 -12.09 C 15.72 -10.69 15 1 -2 16 2 -2 13 3 -2 14 4 -2 13 5 -1 14 6 -1 7 8 2 7 9 1 8 15 1 9 10 1 10 14 1 11 12 1 11 13 1 12 16 1 13 15 1 14 16 1 15 16 1', '16 17 H 15.15 -13.09 H 15.93 -9.58 C:23 13.65 -13.50 C:22 17.74 -8.83 O 12.54 -12.64 O 16.30 -8.84 C:132 17.74 -13.23 C:130 16.30 -13.23 C:24 18.64 -12.09 C:43 18.32 -10.69 C:40 13.38 -10.76 C:22 14.52 -9.87 C:80 13.85 -12.11 C:75 17.02 -10.06 C:51 15.40 -12.09 C:51 15.72 -10.69 15 1 -2 16 2 -2 13 3 -2 14 4 -2 13 5 -1 14 6 -1 7 8 2 7 9 1 8 15 1 9 10 1 10 14 1 11 12 1 11 13 1 12 16 1 13 15 1 14 16 1 15 16 1', 'C12H20O2', 196.143, 'C', 'hca05_160_3', 2475, '', '', '1', 32, NULL, NULL),
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(9707, '1-Oxo-10a-OH-8a-methacryloyloxycostunolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:6]12[CH:5]=[C:4]([CH3:15])[CH2:3][CH2:2][C:1](=O)[C:10]([CH3:14])(O)[CH2:9][C@H:8](O[C:8001](=O)[C:8002](=[CH2:8003])[CH3:8004])[C@@:7]1([H])[C:11](=[CH2:13])[C:12](=O)O2', '[H][C@@]12C=C(C)CCC(=O)C(C)(O)C[C@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2', '[H][C@@:77]12[CH:124]=[C:144]([CH3:20])[CH2:34][CH2:33][C:218](=O)[C:78]([CH3:29])(O)[CH2:41][C@H:70](O[C:166](=O)[C:136](=[CH2:127])[CH3:18])[C@@:48]1([H])[C:136](=[CH2:121])[C:170](=O)O2', '27 28 H 14.05 -10.48 H 14.97 -10.48 C:8003 20.20 -11.15 C:13 17.01 -13.29 C:8004 20.66 -8.78 C:15 10.47 -11.51 C:14 15.18 -7.12 O 17.93 -8.23 O 14.47 -15.15 O 12.85 -7.60 O 13.75 -7.12 C:5 12.85 -10.35 C:3 10.85 -9.03 C:2 11.98 -8.14 C:9 15.75 -8.96 O 17.44 -10.60 O 13.29 -12.85 C:8002 19.74 -9.83 C:4 11.32 -10.35 C:11 15.64 -12.85 C:8001 18.37 -9.56 C:12 14.47 -13.71 C:1 13.18 -8.96 C:8 16.07 -10.33 C:6 13.75 -11.47 C:10 14.47 -8.33 C:7 15.18 -11.47 25 1 -1 27 2 -2 3 18 2 4 20 2 5 18 1 6 19 1 7 26 1 8 21 2 9 22 2 10 23 2 11 26 1 12 19 2 12 25 1 13 14 1 13 19 1 14 23 1 15 24 1 15 26 1 16 21 1 24 16 -2 17 22 1 17 25 1 18 21 1 20 22 1 20 27 1 23 26 1 24 27 1 25 27 1', '27 28 H 14.05 -10.48 H 14.97 -10.48 C 20.20 -11.15 C 17.01 -13.29 C 20.66 -8.78 C 10.47 -11.51 C 15.18 -7.12 O 17.93 -8.23 O 14.47 -15.15 O 12.85 -7.60 O 13.75 -7.12 C 12.85 -10.35 C 10.85 -9.03 C 11.98 -8.14 C 15.75 -8.96 O 17.44 -10.60 O 13.29 -12.85 C 19.74 -9.83 C 11.32 -10.35 C 15.64 -12.85 C 18.37 -9.56 C 14.47 -13.71 C 13.18 -8.96 C 16.07 -10.33 C 13.75 -11.47 C 14.47 -8.33 C 15.18 -11.47 25 1 -1 27 2 -2 3 18 2 4 20 2 5 18 1 6 19 1 7 26 1 8 21 2 9 22 2 10 23 2 11 26 1 12 19 2 12 25 1 13 14 1 13 19 1 14 23 1 15 24 1 15 26 1 16 21 1 24 16 -2 17 22 1 17 25 1 18 21 1 20 22 1 20 27 1 23 26 1 24 27 1 25 27 1', '27 28 H 14.05 -10.48 H 14.97 -10.48 C:127 20.20 -11.15 C:121 17.01 -13.29 C:18 20.66 -8.78 C:20 10.47 -11.51 C:29 15.18 -7.12 O 17.93 -8.23 O 14.47 -15.15 O 12.85 -7.60 O 13.75 -7.12 C:124 12.85 -10.35 C:34 10.85 -9.03 C:33 11.98 -8.14 C:41 15.75 -8.96 O 17.44 -10.60 O 13.29 -12.85 C:136 19.74 -9.83 C:144 11.32 -10.35 C:136 15.64 -12.85 C:166 18.37 -9.56 C:170 14.47 -13.71 C:218 13.18 -8.96 C:70 16.07 -10.33 C:77 13.75 -11.47 C:78 14.47 -8.33 C:48 15.18 -11.47 25 1 -1 27 2 -2 3 18 2 4 20 2 5 18 1 6 19 1 7 26 1 8 21 2 9 22 2 10 23 2 11 26 1 12 19 2 12 25 1 13 14 1 13 19 1 14 23 1 15 24 1 15 26 1 16 21 1 24 16 -2 17 22 1 17 25 1 18 21 1 20 22 1 20 27 1 23 26 1 24 27 1 25 27 1', 'C19H24O6', 348.216, 'D', 'AT-248_a', 718, '', '', '2', 3, 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
(9709, '2a-Hydroxy-8b-isovaleroyloxycostunolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:6]12[CH:5]=[C:4]([CH3:15])[CH2:3][C@H:2](O)[CH:1]=[C:10]([CH3:14])[CH2:9][C@@H:8](O[C:8001](=O)[CH2:8002][CH:8003]([CH3:8005])[CH3:8004])[C@@:7]1([H])[C:11](=[CH2:13])[C:12](=O)O2', '[H][C@@]12C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2', '[H][C@@:75]12[CH:130]=[C:143]([CH3:19])[CH2:49][C@H:69](O)[CH:134]=[C:135]([CH3:20])[CH2:44][C@@H:71](O[C:172](=O)[CH2:43][CH:26]([CH3:22])[CH3:22])[C@@:53]1([H])[C:137](=[CH2:121])[C:170](=O)O2', '27 28 H 13.64 -10.68 H 14.56 -10.68 C:13 16.59 -13.49 C:14 14.06 -7.14 C:15 10.04 -11.71 C:8005 18.82 -12.40 C:8004 21.12 -11.64 O 17.50 -8.44 O 14.06 -15.35 O 11.52 -6.95 C:1 12.78 -9.15 C:5 12.45 -10.55 C:3 10.42 -9.22 C:9 15.34 -9.15 C:8002 19.31 -10.04 O 17.02 -10.80 O 12.88 -13.05 C:10 14.06 -8.54 C:4 10.90 -10.55 C:11 15.23 -13.05 C:8001 17.94 -9.75 C:12 14.06 -13.91 C:8003 19.75 -11.36 C:2 11.57 -8.35 C:8 15.66 -10.55 C:6 13.34 -11.71 C:7 14.77 -11.71 26 1 -1 27 2 -2 3 20 2 4 18 1 5 19 1 6 23 1 7 23 1 8 21 2 9 22 2 24 10 -2 11 18 2 11 24 1 12 19 2 12 26 1 13 19 1 13 24 1 14 18 1 14 25 1 15 21 1 15 23 1 16 21 1 25 16 -1 17 22 1 17 26 1 20 22 1 20 27 1 25 27 1 26 27 1', '27 28 H 13.64 -10.68 H 14.56 -10.68 C 16.59 -13.49 C 14.06 -7.14 C 10.04 -11.71 C 18.82 -12.40 C 21.12 -11.64 O 17.50 -8.44 O 14.06 -15.35 O 11.52 -6.95 C 12.78 -9.15 C 12.45 -10.55 C 10.42 -9.22 C 15.34 -9.15 C 19.31 -10.04 O 17.02 -10.80 O 12.88 -13.05 C 14.06 -8.54 C 10.90 -10.55 C 15.23 -13.05 C 17.94 -9.75 C 14.06 -13.91 C 19.75 -11.36 C 11.57 -8.35 C 15.66 -10.55 C 13.34 -11.71 C 14.77 -11.71 26 1 -1 27 2 -2 3 20 2 4 18 1 5 19 1 6 23 1 7 23 1 8 21 2 9 22 2 24 10 -2 11 18 2 11 24 1 12 19 2 12 26 1 13 19 1 13 24 1 14 18 1 14 25 1 15 21 1 15 23 1 16 21 1 25 16 -1 17 22 1 17 26 1 20 22 1 20 27 1 25 27 1 26 27 1', '27 28 H 13.64 -10.68 H 14.56 -10.68 C:121 16.59 -13.49 C:20 14.06 -7.14 C:19 10.04 -11.71 C:22 18.82 -12.40 C:22 21.12 -11.64 O 17.50 -8.44 O 14.06 -15.35 O 11.52 -6.95 C:134 12.78 -9.15 C:130 12.45 -10.55 C:49 10.42 -9.22 C:44 15.34 -9.15 C:43 19.31 -10.04 O 17.02 -10.80 O 12.88 -13.05 C:135 14.06 -8.54 C:143 10.90 -10.55 C:137 15.23 -13.05 C:172 17.94 -9.75 C:170 14.06 -13.91 C:26 19.75 -11.36 C:69 11.57 -8.35 C:71 15.66 -10.55 C:75 13.34 -11.71 C:53 14.77 -11.71 26 1 -1 27 2 -2 3 20 2 4 18 1 5 19 1 6 23 1 7 23 1 8 21 2 9 22 2 24 10 -2 11 18 2 11 24 1 12 19 2 12 26 1 13 19 1 13 24 1 14 18 1 14 25 1 15 21 1 15 23 1 16 21 1 25 16 -1 17 22 1 17 26 1 20 22 1 20 27 1 25 27 1 26 27 1', 'C20H28O5', 348.227, 'C', 'AT-249_a', 1509, '', '', '2', 3, NULL, NULL),
(9710, 'Leucanthanolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:6]12[CH:5]=[C:4]([CH3:15])[CH2:3][CH2:2][CH:1]=[C:10]([CH3:14])[C@@H:9](O[C:9001](=O)[CH:9002]([CH3:9004])[CH3:9003])[C@H:8](O)[C@@:7]1(O)[C:11](=[CH2:13])[C:12](=O)O2', '[H][C@@]12C=C(C)CCC=C(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@]1(O)C(=C)C(=O)O2', '[H][C@@:84]12[CH:122]=[C:137]([CH3:17])[CH2:39][CH2:25][CH:130]=[C:140]([CH3:18])[C@@H:79](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C@H:75](O)[C@@:82]1(O)[C:140](=[CH2:129])[C:169](=O)O2', '26 27 H 14.75 -11.74 C:13 17.66 -14.50 C:15 11.21 -12.76 C:14 15.17 -8.20 C:9004 19.92 -7.98 C:9003 18.72 -5.89 O 15.17 -16.37 O 16.33 -7.27 O 18.09 -11.85 O 15.66 -11.37 C:1 13.90 -10.21 C:5 13.57 -11.61 C:2 12.70 -9.41 C:3 11.59 -10.28 O 17.51 -9.41 O 14.01 -14.07 C:4 12.05 -11.61 C:10 15.17 -9.59 C:11 16.33 -14.07 C:12 15.17 -14.93 C:9001 17.51 -7.97 C:9002 18.72 -7.27 C:8 16.74 -11.61 C:9 16.42 -10.21 C:6 14.46 -12.76 C:7 15.86 -12.76 25 1 -1 2 19 2 3 17 1 4 18 1 5 22 1 6 22 1 7 20 2 8 21 2 23 9 -2 26 10 -2 11 13 1 11 18 2 12 17 2 12 25 1 13 14 1 14 17 1 15 21 1 24 15 -1 16 20 1 16 25 1 18 24 1 19 20 1 19 26 1 21 22 1 23 24 1 23 26 1 25 26 1', '26 27 H 14.75 -11.74 C 17.66 -14.50 C 11.21 -12.76 C 15.17 -8.20 C 19.92 -7.98 C 18.72 -5.89 O 15.17 -16.37 O 16.33 -7.27 O 18.09 -11.85 O 15.66 -11.37 C 13.90 -10.21 C 13.57 -11.61 C 12.70 -9.41 C 11.59 -10.28 O 17.51 -9.41 O 14.01 -14.07 C 12.05 -11.61 C 15.17 -9.59 C 16.33 -14.07 C 15.17 -14.93 C 17.51 -7.97 C 18.72 -7.27 C 16.74 -11.61 C 16.42 -10.21 C 14.46 -12.76 C 15.86 -12.76 25 1 -1 2 19 2 3 17 1 4 18 1 5 22 1 6 22 1 7 20 2 8 21 2 23 9 -2 26 10 -2 11 13 1 11 18 2 12 17 2 12 25 1 13 14 1 14 17 1 15 21 1 24 15 -1 16 20 1 16 25 1 18 24 1 19 20 1 19 26 1 21 22 1 23 24 1 23 26 1 25 26 1', '26 27 H 14.75 -11.74 C:129 17.66 -14.50 C:17 11.21 -12.76 C:18 15.17 -8.20 C:19 19.92 -7.98 C:19 18.72 -5.89 O 15.17 -16.37 O 16.33 -7.27 O 18.09 -11.85 O 15.66 -11.37 C:130 13.90 -10.21 C:122 13.57 -11.61 C:25 12.70 -9.41 C:39 11.59 -10.28 O 17.51 -9.41 O 14.01 -14.07 C:137 12.05 -11.61 C:140 15.17 -9.59 C:140 16.33 -14.07 C:169 15.17 -14.93 C:176 17.51 -7.97 C:34 18.72 -7.27 C:75 16.74 -11.61 C:79 16.42 -10.21 C:84 14.46 -12.76 C:82 15.86 -12.76 25 1 -1 2 19 2 3 17 1 4 18 1 5 22 1 6 22 1 7 20 2 8 21 2 23 9 -2 26 10 -2 11 13 1 11 18 2 12 17 2 12 25 1 13 14 1 14 17 1 15 21 1 24 15 -1 16 20 1 16 25 1 18 24 1 19 20 1 19 26 1 21 22 1 23 24 1 23 26 1 25 26 1', 'C19H26O6', 350.208, 'C', 'AT-249_b', 1728, '', '', '2', 3, NULL, NULL),
(9711, '?4,15-Isoatripliciolide tiglate', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:15]=[C:4]2[CH2:5][C@H:6]1O[C:12](=O)[C:11](=[CH2:13])[C@@H:7]1[C@H:8](O[C:8001](=O)[C:8002]([CH3:8005])=[CH:8003][CH3:8004])[CH2:9][C@@:10]3([CH3:14])O[C:3]2=[CH:2][C:1]3=O', 'C=C2C[C@H]1OC(=O)C(=C)[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@]3(C)OC2=CC3=O', '[CH2:121]=[C:136]2[CH2:42][C@H:78]1O[C:168](=O)[C:139](=[CH2:122])[C@@H:51]1[C@H:74](O[C:166](=O)[C:127]([CH3:12])=[CH:139][CH3:14])[CH2:43][C@@:89]3([CH3:22])O[C:184]2=[CH:104][C:205]3=O', '26 28 C:15 13.61 -16.53 C:13 18.58 -11.12 C:8004 15.77 -5.76 C:8005 17.43 -8.00 C:14 12.86 -11.08 O 10.85 -11.96 O 14.12 -9.63 O 20.34 -13.58 C:8003 15.19 -7.05 C:2 11.91 -14.35 C:5 15.77 -15.30 C:9 14.36 -11.87 O 16.33 -10.58 O 18.12 -14.72 O 14.12 -13.58 C:8002 16.04 -8.17 C:4 14.36 -15.30 C:11 18.12 -12.45 C:1 11.91 -12.83 C:8001 15.48 -9.46 C:12 18.96 -13.58 C:3 13.28 -14.72 C:6 16.78 -14.35 C:8 15.77 -11.87 C:7 16.78 -12.83 C:10 13.28 -12.45 1 17 2 2 18 2 3 9 1 4 16 1 26 5 -2 6 19 2 7 20 2 8 21 2 9 16 2 10 19 1 10 22 2 11 17 1 11 23 1 12 24 1 12 26 1 13 20 1 24 13 -1 14 21 1 23 14 -2 15 22 1 15 26 1 16 20 1 17 22 1 18 21 1 25 18 -1 19 26 1 23 25 1 24 25 1', '26 28 C 13.61 -16.53 C 18.58 -11.12 C 15.77 -5.76 C 17.43 -8.00 C 12.86 -11.08 O 10.85 -11.96 O 14.12 -9.63 O 20.34 -13.58 C 15.19 -7.05 C 11.91 -14.35 C 15.77 -15.30 C 14.36 -11.87 O 16.33 -10.58 O 18.12 -14.72 O 14.12 -13.58 C 16.04 -8.17 C 14.36 -15.30 C 18.12 -12.45 C 11.91 -12.83 C 15.48 -9.46 C 18.96 -13.58 C 13.28 -14.72 C 16.78 -14.35 C 15.77 -11.87 C 16.78 -12.83 C 13.28 -12.45 1 17 2 2 18 2 3 9 1 4 16 1 26 5 -2 6 19 2 7 20 2 8 21 2 9 16 2 10 19 1 10 22 2 11 17 1 11 23 1 12 24 1 12 26 1 13 20 1 24 13 -1 14 21 1 23 14 -2 15 22 1 15 26 1 16 20 1 17 22 1 18 21 1 25 18 -1 19 26 1 23 25 1 24 25 1', '26 28 C:121 13.61 -16.53 C:122 18.58 -11.12 C:14 15.77 -5.76 C:12 17.43 -8.00 C:22 12.86 -11.08 O 10.85 -11.96 O 14.12 -9.63 O 20.34 -13.58 C:139 15.19 -7.05 C:104 11.91 -14.35 C:42 15.77 -15.30 C:43 14.36 -11.87 O 16.33 -10.58 O 18.12 -14.72 O 14.12 -13.58 C:127 16.04 -8.17 C:136 14.36 -15.30 C:139 18.12 -12.45 C:205 11.91 -12.83 C:166 15.48 -9.46 C:168 18.96 -13.58 C:184 13.28 -14.72 C:78 16.78 -14.35 C:74 15.77 -11.87 C:51 16.78 -12.83 C:89 13.28 -12.45 1 17 2 2 18 2 3 9 1 4 16 1 26 5 -2 6 19 2 7 20 2 8 21 2 9 16 2 10 19 1 10 22 2 11 17 1 11 23 1 12 24 1 12 26 1 13 20 1 24 13 -1 14 21 1 23 14 -2 15 22 1 15 26 1 16 20 1 17 22 1 18 21 1 25 18 -1 19 26 1 23 25 1 24 25 1', 'C20H22O6', 358.21, 'C', 'AT-250_a', 717, '', '', '2', 3, NULL, NULL),
(9712, '4b,15-Epoxymiller-1(10)Z,8e-dienolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@:7]12[C:11](=[CH2:13])[C:12](=O)O[C@@H:6]1[C@@H:5](O)[C@@:4]3([CH2:3][CH2:2][CH:1]=[C:10]([CH:14]=O)[CH:9]=[C:8]2O[C:8001](=O)[C:8002](=[CH2:8003])[CH3:8004])[CH2:15]O3', '[H][C@]12C(=C)C(=O)O[C@@H]1[C@@H](O)[C@@]3(CCC=C(C=O)C=C2OC(=O)C(=C)C)CO3', '[H][C@:41]12[C:133](=[CH2:127])[C:169](=O)O[C@@H:79]1[C@@H:82](O)[C@@:58]3([CH2:29][CH2:29][CH:157]=[C:137]([CH:193]=O)[CH:113]=[C:148]2O[C:166](=O)[C:135](=[CH2:128])[CH3:18])[CH2:54]O3', '27 29 H 15.36 -10.86 C:8003 20.42 -14.38 C:13 14.66 -14.19 C:8004 18.23 -15.45 O 18.10 -6.89 O 19.19 -11.88 O 11.56 -13.25 O 11.67 -11.69 C:14 18.10 -8.29 C:1 15.67 -8.54 C:9 17.30 -10.57 C:2 14.38 -9.18 C:3 13.18 -8.35 C:15 11.07 -8.24 O 10.70 -9.60 O 17.02 -12.94 O 12.77 -11.28 C:8002 19.02 -14.28 C:11 14.15 -12.88 C:10 16.97 -9.18 C:8001 18.41 -13.04 C:12 12.77 -12.50 C:8 16.40 -11.68 C:5 12.53 -10.59 C:6 14.05 -10.59 C:7 14.94 -11.68 C:4 12.05 -9.25 26 1 -2 2 18 2 3 19 2 4 18 1 5 9 2 6 21 2 7 22 2 24 8 -1 9 20 1 10 12 1 10 20 2 11 20 1 11 23 2 12 13 1 13 27 1 14 15 1 27 14 -2 27 15 -1 16 21 1 16 23 1 17 22 1 25 17 -2 18 21 1 19 22 1 19 26 1 23 26 1 24 25 1 24 27 1 25 26 1', '27 29 H 15.36 -10.86 C 20.42 -14.38 C 14.66 -14.19 C 18.23 -15.45 O 18.10 -6.89 O 19.19 -11.88 O 11.56 -13.25 O 11.67 -11.69 C 18.10 -8.29 C 15.67 -8.54 C 17.30 -10.57 C 14.38 -9.18 C 13.18 -8.35 C 11.07 -8.24 O 10.70 -9.60 O 17.02 -12.94 O 12.77 -11.28 C 19.02 -14.28 C 14.15 -12.88 C 16.97 -9.18 C 18.41 -13.04 C 12.77 -12.50 C 16.40 -11.68 C 12.53 -10.59 C 14.05 -10.59 C 14.94 -11.68 C 12.05 -9.25 26 1 -2 2 18 2 3 19 2 4 18 1 5 9 2 6 21 2 7 22 2 24 8 -1 9 20 1 10 12 1 10 20 2 11 20 1 11 23 2 12 13 1 13 27 1 14 15 1 27 14 -2 27 15 -1 16 21 1 16 23 1 17 22 1 25 17 -2 18 21 1 19 22 1 19 26 1 23 26 1 24 25 1 24 27 1 25 26 1', '27 29 H 15.36 -10.86 C:128 20.42 -14.38 C:127 14.66 -14.19 C:18 18.23 -15.45 O 18.10 -6.89 O 19.19 -11.88 O 11.56 -13.25 O 11.67 -11.69 C:193 18.10 -8.29 C:157 15.67 -8.54 C:113 17.30 -10.57 C:29 14.38 -9.18 C:29 13.18 -8.35 C:54 11.07 -8.24 O 10.70 -9.60 O 17.02 -12.94 O 12.77 -11.28 C:135 19.02 -14.28 C:133 14.15 -12.88 C:137 16.97 -9.18 C:166 18.41 -13.04 C:169 12.77 -12.50 C:148 16.40 -11.68 C:82 12.53 -10.59 C:79 14.05 -10.59 C:41 14.94 -11.68 C:58 12.05 -9.25 26 1 -2 2 18 2 3 19 2 4 18 1 5 9 2 6 21 2 7 22 2 24 8 -1 9 20 1 10 12 1 10 20 2 11 20 1 11 23 2 12 13 1 13 27 1 14 15 1 27 14 -2 27 15 -1 16 21 1 16 23 1 17 22 1 25 17 -2 18 21 1 19 22 1 19 26 1 23 26 1 24 25 1 24 27 1 25 26 1', 'C19H20O7', 360.207, 'C', 'AT-250_b', 1000, '', '', '3', 3, NULL, NULL),
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(9726, 'Sesquiterpene HM-1x', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:3]23[CH2:2][C@H:1](O)[C@@:10]([CH3:14])([CH2:9][C@@H:8](O[C:8001](=O)[C:8002]([CH3:8005])=[CH:8003][CH3:8004])[C@@:7]1([H])[C:11](=[CH2:13])[C:12](=O)O[C@:6]1([H])[CH:5]=[C:4]2[CH3:15])O3', '[H][C@@]23C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@@]1([H])C(=C)C(=O)O[C@]1([H])C=C2C)O3', '[H][C@@:77]23[CH2:37][C@H:76](O)[C@@:74]([CH3:31])([CH2:38][C@@H:73](O[C:167](=O)[C:127]([CH3:20])=[CH:140][CH3:16])[C@@:45]1([H])[C:137](=[CH2:124])[C:170](=O)O[C@:74]1([H])[CH:123]=[C:144]2[CH3:22])O3', '29 31 H 12.83 -15.01 H 16.82 -14.68 H 16.82 -11.14 C:13 18.69 -10.31 C:8004 13.89 -6.45 C:8005 17.49 -7.28 C:15 13.54 -15.98 C:14 12.75 -10.30 O 14.15 -8.86 O 20.50 -12.91 O 10.69 -11.23 C:8003 15.28 -6.30 C:5 15.80 -14.70 C:2 11.77 -13.69 C:9 14.31 -11.12 O 16.36 -9.84 O 18.24 -14.11 O 14.06 -12.91 C:8002 16.10 -7.43 C:4 14.31 -14.70 C:11 18.24 -11.71 C:8001 15.54 -8.71 C:12 19.10 -12.91 C:1 11.77 -12.12 C:8 15.80 -11.12 C:3 13.18 -14.10 C:6 16.82 -13.65 C:7 16.82 -12.16 C:10 13.18 -11.71 26 1 -2 27 2 -1 28 3 -2 4 21 2 5 12 1 6 19 1 7 20 1 29 8 -2 9 22 2 10 23 2 24 11 -2 12 19 2 13 20 2 13 27 1 14 24 1 14 26 1 15 25 1 15 29 1 16 22 1 25 16 -1 17 23 1 17 27 1 18 26 1 18 29 1 19 22 1 20 26 1 21 23 1 21 28 1 24 29 1 25 28 1 27 28 1', '29 31 H 12.83 -15.01 H 16.82 -14.68 H 16.82 -11.14 C 18.69 -10.31 C 13.89 -6.45 C 17.49 -7.28 C 13.54 -15.98 C 12.75 -10.30 O 14.15 -8.86 O 20.50 -12.91 O 10.69 -11.23 C 15.28 -6.30 C 15.80 -14.70 C 11.77 -13.69 C 14.31 -11.12 O 16.36 -9.84 O 18.24 -14.11 O 14.06 -12.91 C 16.10 -7.43 C 14.31 -14.70 C 18.24 -11.71 C 15.54 -8.71 C 19.10 -12.91 C 11.77 -12.12 C 15.80 -11.12 C 13.18 -14.10 C 16.82 -13.65 C 16.82 -12.16 C 13.18 -11.71 26 1 -2 27 2 -1 28 3 -2 4 21 2 5 12 1 6 19 1 7 20 1 29 8 -2 9 22 2 10 23 2 24 11 -2 12 19 2 13 20 2 13 27 1 14 24 1 14 26 1 15 25 1 15 29 1 16 22 1 25 16 -1 17 23 1 17 27 1 18 26 1 18 29 1 19 22 1 20 26 1 21 23 1 21 28 1 24 29 1 25 28 1 27 28 1', '29 31 H 12.83 -15.01 H 16.82 -14.68 H 16.82 -11.14 C:124 18.69 -10.31 C:16 13.89 -6.45 C:20 17.49 -7.28 C:22 13.54 -15.98 C:31 12.75 -10.30 O 14.15 -8.86 O 20.50 -12.91 O 10.69 -11.23 C:140 15.28 -6.30 C:123 15.80 -14.70 C:37 11.77 -13.69 C:38 14.31 -11.12 O 16.36 -9.84 O 18.24 -14.11 O 14.06 -12.91 C:127 16.10 -7.43 C:144 14.31 -14.70 C:137 18.24 -11.71 C:167 15.54 -8.71 C:170 19.10 -12.91 C:76 11.77 -12.12 C:73 15.80 -11.12 C:77 13.18 -14.10 C:74 16.82 -13.65 C:45 16.82 -12.16 C:74 13.18 -11.71 26 1 -2 27 2 -1 28 3 -2 4 21 2 5 12 1 6 19 1 7 20 1 29 8 -2 9 22 2 10 23 2 24 11 -2 12 19 2 13 20 2 13 27 1 14 24 1 14 26 1 15 25 1 15 29 1 16 22 1 25 16 -1 17 23 1 17 27 1 18 26 1 18 29 1 19 22 1 20 26 1 21 23 1 21 28 1 24 29 1 25 28 1 27 28 1', 'C20H26O6', 362.234, 'C', 'AT-257_b', 872, '', '', '2', 3, 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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(9740, 'Tupichinol B', '(2R,3R)-3,4''-Dihydroxy-5,7-dimethoxy-8-methylflavan', 'Flavonoids', 'Flavonoids', 'Flavanols', '[CH3:7001]O[c:7]3[cH:6][c:5](O[CH3:5001])[c:10]2[CH2:4][C@@H:3](O)[C@@H:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][cH:102]1)O[c:9]2[c:8]3[CH3:8001]', 'COc3cc(OC)c2C[C@@H](O)[C@@H](c1ccc(O)cc1)Oc2c3C', '[CH3:57]O[c:158]3[cH:90][c:158](O[CH3:56])[c:103]2[CH2:30][C@@H:67](O)[C@@H:80]([c:132]1[cH:130][cH:116][c:155](O)[cH:116][cH:130]1)O[c:158]2[c:106]3[CH3:9]', '23 25 C:7001 10.69 -7.76 C:5001 11.92 -14.07 C:8001 13.13 -7.77 O 21.61 -7.07 O 17.95 -11.98 C:105 19.18 -7.07 C:103 20.39 -9.16 C:106 17.96 -7.77 C:102 19.18 -9.86 C:6 11.90 -11.27 C:4 15.54 -11.97 O 10.69 -9.16 O 13.13 -13.37 O 15.54 -9.16 C:104 20.39 -7.77 C:8 13.13 -9.17 C:101 17.96 -9.16 C:7 11.90 -9.86 C:5 13.13 -11.97 C:10 14.33 -11.27 C:9 14.33 -9.86 C:3 16.74 -11.27 C:2 16.74 -9.86 1 12 1 2 13 1 3 16 1 4 15 1 22 5 -2 6 8 2 6 15 1 7 9 1 7 15 2 8 17 1 9 17 2 10 18 1 10 19 2 11 20 1 11 22 1 12 18 1 13 19 1 14 21 1 14 23 1 16 18 2 16 21 1 23 17 -2 19 20 1 20 21 2 22 23 1', '23 25 C 10.69 -7.76 C 11.92 -14.07 C 13.13 -7.77 O 21.61 -7.07 O 17.95 -11.98 C 19.18 -7.07 C 20.39 -9.16 C 17.96 -7.77 C 19.18 -9.86 C 11.90 -11.27 C 15.54 -11.97 O 10.69 -9.16 O 13.13 -13.37 O 15.54 -9.16 C 20.39 -7.77 C 13.13 -9.17 C 17.96 -9.16 C 11.90 -9.86 C 13.13 -11.97 C 14.33 -11.27 C 14.33 -9.86 C 16.74 -11.27 C 16.74 -9.86 1 12 1 2 13 1 3 16 1 4 15 1 22 5 -2 6 8 2 6 15 1 7 9 1 7 15 2 8 17 1 9 17 2 10 18 1 10 19 2 11 20 1 11 22 1 12 18 1 13 19 1 14 21 1 14 23 1 16 18 2 16 21 1 23 17 -2 19 20 1 20 21 2 22 23 1', '23 25 C:57 10.69 -7.76 C:56 11.92 -14.07 C:9 13.13 -7.77 O 21.61 -7.07 O 17.95 -11.98 C:116 19.18 -7.07 C:116 20.39 -9.16 C:130 17.96 -7.77 C:130 19.18 -9.86 C:90 11.90 -11.27 C:30 15.54 -11.97 O 10.69 -9.16 O 13.13 -13.37 O 15.54 -9.16 C:155 20.39 -7.77 C:106 13.13 -9.17 C:132 17.96 -9.16 C:158 11.90 -9.86 C:158 13.13 -11.97 C:103 14.33 -11.27 C:158 14.33 -9.86 C:67 16.74 -11.27 C:80 16.74 -9.86 1 12 1 2 13 1 3 16 1 4 15 1 22 5 -2 6 8 2 6 15 1 7 9 1 7 15 2 8 17 1 9 17 2 10 18 1 10 19 2 11 20 1 11 22 1 12 18 1 13 19 1 14 21 1 14 23 1 16 18 2 16 21 1 23 17 -2 19 20 1 20 21 2 22 23 1', 'C18H20O5', 316.19, 'A', 'np03_161_2', 1751, '', '', '1', 1, NULL, NULL),
(9741, 'Tupichinol B Acetate', '', 'Flavonoids', 'Flavonoids', 'Flavanols', '[CH3:7001]O[c:7]3[cH:6][c:5](O[CH3:5001])[c:10]2[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@H:2]([c:101]1[cH:106][cH:105][c:104](O[C:104001]([CH3:104002])=O)[cH:103][cH:102]1)O[c:9]2[c:8]3[CH3:8001]', 'COc3cc(OC)c2C[C@@H](OC(C)=O)[C@@H](c1ccc(OC(C)=O)cc1)Oc2c3C', '[CH3:56]O[c:157]3[cH:100][c:156](O[CH3:55])[c:106]2[CH2:30][C@@H:68](O[C:170]([CH3:21])=O)[C@@H:77]([c:136]1[cH:127][cH:121][c:150](O[C:169]([CH3:21])=O)[cH:121][cH:127]1)O[c:153]2[c:115]3[CH3:8]', '29 31 C:7001 9.46 -7.76 C:5001 10.69 -14.07 C:104002 22.81 -7.08 C:3002 17.92 -14.09 C:8001 11.90 -7.77 O 21.60 -9.17 O 15.50 -14.08 C:105 17.95 -7.07 C:103 19.16 -9.16 C:106 16.71 -7.77 C:102 17.92 -9.86 C:6 10.69 -11.27 C:4 14.31 -11.97 O 9.46 -9.16 O 11.90 -13.37 O 20.39 -7.07 O 16.71 -11.98 O 14.31 -9.16 C:104001 21.60 -7.77 C:3001 16.71 -13.38 C:104 19.16 -7.77 C:101 16.71 -9.16 C:8 11.90 -9.17 C:7 10.69 -9.86 C:5 11.90 -11.97 C:10 13.10 -11.27 C:9 13.10 -9.86 C:3 15.51 -11.27 C:2 15.51 -9.86 1 14 1 2 15 1 3 19 1 4 20 1 5 23 1 6 19 2 7 20 2 8 10 2 8 21 1 9 11 1 9 21 2 10 22 1 11 22 2 12 24 1 12 25 2 13 26 1 13 28 1 14 24 1 15 25 1 16 19 1 16 21 1 17 20 1 28 17 -2 18 27 1 18 29 1 29 22 -2 23 24 2 23 27 1 25 26 1 26 27 2 28 29 1', '29 31 C 9.46 -7.76 C 10.69 -14.07 C 22.81 -7.08 C 17.92 -14.09 C 11.90 -7.77 O 21.60 -9.17 O 15.50 -14.08 C 17.95 -7.07 C 19.16 -9.16 C 16.71 -7.77 C 17.92 -9.86 C 10.69 -11.27 C 14.31 -11.97 O 9.46 -9.16 O 11.90 -13.37 O 20.39 -7.07 O 16.71 -11.98 O 14.31 -9.16 C 21.60 -7.77 C 16.71 -13.38 C 19.16 -7.77 C 16.71 -9.16 C 11.90 -9.17 C 10.69 -9.86 C 11.90 -11.97 C 13.10 -11.27 C 13.10 -9.86 C 15.51 -11.27 C 15.51 -9.86 1 14 1 2 15 1 3 19 1 4 20 1 5 23 1 6 19 2 7 20 2 8 10 2 8 21 1 9 11 1 9 21 2 10 22 1 11 22 2 12 24 1 12 25 2 13 26 1 13 28 1 14 24 1 15 25 1 16 19 1 16 21 1 17 20 1 28 17 -2 18 27 1 18 29 1 29 22 -2 23 24 2 23 27 1 25 26 1 26 27 2 28 29 1', '29 31 C:56 9.46 -7.76 C:55 10.69 -14.07 C:21 22.81 -7.08 C:21 17.92 -14.09 C:8 11.90 -7.77 O 21.60 -9.17 O 15.50 -14.08 C:121 17.95 -7.07 C:121 19.16 -9.16 C:127 16.71 -7.77 C:127 17.92 -9.86 C:100 10.69 -11.27 C:30 14.31 -11.97 O 9.46 -9.16 O 11.90 -13.37 O 20.39 -7.07 O 16.71 -11.98 O 14.31 -9.16 C:169 21.60 -7.77 C:170 16.71 -13.38 C:150 19.16 -7.77 C:136 16.71 -9.16 C:115 11.90 -9.17 C:157 10.69 -9.86 C:156 11.90 -11.97 C:106 13.10 -11.27 C:153 13.10 -9.86 C:68 15.51 -11.27 C:77 15.51 -9.86 1 14 1 2 15 1 3 19 1 4 20 1 5 23 1 6 19 2 7 20 2 8 10 2 8 21 1 9 11 1 9 21 2 10 22 1 11 22 2 12 24 1 12 25 2 13 26 1 13 28 1 14 24 1 15 25 1 16 19 1 16 21 1 17 20 1 28 17 -2 18 27 1 18 29 1 29 22 -2 23 24 2 23 27 1 25 26 1 26 27 2 28 29 1', 'C22H24O7', 400.231, 'C', 'np03_161_2a', 1751, '', '', '1', 1, NULL, NULL),
(9742, 'Tupichinol C', '(2R)-7,4''-Dihydroxylflavan', 'Flavonoids', 'Flavonoids', 'Flavanes', 'O[c:104]3[cH:103][cH:102][c:101]([C@H:2]2[CH2:3][CH2:4][c:10]1[cH:5][cH:6][c:7](O)[cH:8][c:9]1O2)[cH:106][cH:105]3', 'Oc3ccc([C@H]2CCc1ccc(O)cc1O2)cc3', 'O[c:156]3[cH:115][cH:128][c:134]([C@H:78]2[CH2:25][CH2:30][c:114]1[cH:130][cH:108][c:155](O)[cH:104][c:155]1O2)[cH:128][cH:115]3', '18 20 O 21.60 -8.13 O 10.69 -10.22 C:103 20.39 -10.22 C:105 19.18 -8.13 C:6 11.90 -12.33 C:102 19.18 -10.92 C:106 17.96 -8.83 C:5 13.12 -13.03 C:8 13.12 -10.23 C:4 15.54 -13.03 C:3 16.74 -12.33 O 15.54 -10.22 C:104 20.39 -8.83 C:7 11.90 -10.92 C:101 17.96 -10.22 C:10 14.33 -12.33 C:9 14.33 -10.92 C:2 16.74 -10.92 1 13 1 2 14 1 3 6 1 3 13 2 4 7 2 4 13 1 5 8 2 5 14 1 6 15 2 7 15 1 8 16 1 9 14 2 9 17 1 10 11 1 10 16 1 11 18 1 12 17 1 12 18 1 18 15 -1 16 17 2', '18 20 O 21.60 -8.13 O 10.69 -10.22 C 20.39 -10.22 C 19.18 -8.13 C 11.90 -12.33 C 19.18 -10.92 C 17.96 -8.83 C 13.12 -13.03 C 13.12 -10.23 C 15.54 -13.03 C 16.74 -12.33 O 15.54 -10.22 C 20.39 -8.83 C 11.90 -10.92 C 17.96 -10.22 C 14.33 -12.33 C 14.33 -10.92 C 16.74 -10.92 1 13 1 2 14 1 3 6 1 3 13 2 4 7 2 4 13 1 5 8 2 5 14 1 6 15 2 7 15 1 8 16 1 9 14 2 9 17 1 10 11 1 10 16 1 11 18 1 12 17 1 12 18 1 18 15 -1 16 17 2', '18 20 O 21.60 -8.13 O 10.69 -10.22 C:115 20.39 -10.22 C:115 19.18 -8.13 C:108 11.90 -12.33 C:128 19.18 -10.92 C:128 17.96 -8.83 C:130 13.12 -13.03 C:104 13.12 -10.23 C:30 15.54 -13.03 C:25 16.74 -12.33 O 15.54 -10.22 C:156 20.39 -8.83 C:155 11.90 -10.92 C:134 17.96 -10.22 C:114 14.33 -12.33 C:155 14.33 -10.92 C:78 16.74 -10.92 1 13 1 2 14 1 3 6 1 3 13 2 4 7 2 4 13 1 5 8 2 5 14 1 6 15 2 7 15 1 8 16 1 9 14 2 9 17 1 10 11 1 10 16 1 11 18 1 12 17 1 12 18 1 18 15 -1 16 17 2', 'C15H14O3', 242.159, 'A', 'np03_161_3', 1751, '', '', '1', 1, NULL, NULL),
(9743, '', '5-Methoxy-6,7:3'',4''-bis(methylenedioxy)isoflavone', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:5001]O[c:5]4[c:6]1O[CH2:6001]O[c:7]1[cH:8][c:9]5o[cH:2][c:3]([c:101]3[cH:106][cH:105][c:104]2O[CH2:103001]O[c:103]2[cH:102]3)[c:4](=O)[c:10]45', 'COc4c1OCOc1cc5occ(c3ccc2OCOc2c3)c(=O)c45', '[CH3:61]O[c:142]4[c:136]1O[CH2:102]O[c:153]1[cH:93][c:155]5o[cH:150][c:126]([c:126]3[cH:123][cH:108][c:148]2O[CH2:101]O[c:148]2[cH:110]3)[c:175](=O)[c:114]45', '25 29 C:5001 11.31 -10.49 O 14.95 -9.79 C:106 17.38 -9.79 C:105 18.59 -10.49 C:2 16.17 -6.29 C:102 18.59 -7.69 C:8 12.53 -5.59 C:103001 21.96 -9.09 C:6001 9.16 -7.00 O 12.53 -9.79 O 21.14 -10.22 O 21.14 -7.96 O 9.98 -5.86 O 9.98 -8.12 O 14.95 -5.59 C:101 17.38 -8.39 C:104 19.81 -9.79 C:103 19.81 -8.39 C:7 11.31 -6.29 C:3 16.17 -7.69 C:6 11.31 -7.69 C:5 12.53 -8.39 C:4 14.95 -8.39 C:9 13.74 -6.29 C:10 13.74 -7.69 1 10 1 2 23 2 3 4 1 3 16 2 4 17 2 5 15 1 5 20 2 6 16 1 6 18 2 7 19 1 7 24 2 8 11 1 8 12 1 9 13 1 9 14 1 10 22 1 11 17 1 12 18 1 13 19 1 14 21 1 15 24 1 16 20 1 17 18 1 19 21 2 20 23 1 21 22 1 22 25 2 23 25 1 24 25 1', '25 29 C 11.31 -10.49 O 14.95 -9.79 C 17.38 -9.79 C 18.59 -10.49 C 16.17 -6.29 C 18.59 -7.69 C 12.53 -5.59 C 21.96 -9.09 C 9.16 -7.00 O 12.53 -9.79 O 21.14 -10.22 O 21.14 -7.96 O 9.98 -5.86 O 9.98 -8.12 O 14.95 -5.59 C 17.38 -8.39 C 19.81 -9.79 C 19.81 -8.39 C 11.31 -6.29 C 16.17 -7.69 C 11.31 -7.69 C 12.53 -8.39 C 14.95 -8.39 C 13.74 -6.29 C 13.74 -7.69 1 10 1 2 23 2 3 4 1 3 16 2 4 17 2 5 15 1 5 20 2 6 16 1 6 18 2 7 19 1 7 24 2 8 11 1 8 12 1 9 13 1 9 14 1 10 22 1 11 17 1 12 18 1 13 19 1 14 21 1 15 24 1 16 20 1 17 18 1 19 21 2 20 23 1 21 22 1 22 25 2 23 25 1 24 25 1', '25 29 C:61 11.31 -10.49 O 14.95 -9.79 C:123 17.38 -9.79 C:108 18.59 -10.49 C:150 16.17 -6.29 C:110 18.59 -7.69 C:93 12.53 -5.59 C:101 21.96 -9.09 C:102 9.16 -7.00 O 12.53 -9.79 O 21.14 -10.22 O 21.14 -7.96 O 9.98 -5.86 O 9.98 -8.12 O 14.95 -5.59 C:126 17.38 -8.39 C:148 19.81 -9.79 C:148 19.81 -8.39 C:153 11.31 -6.29 C:126 16.17 -7.69 C:136 11.31 -7.69 C:142 12.53 -8.39 C:175 14.95 -8.39 C:155 13.74 -6.29 C:114 13.74 -7.69 1 10 1 2 23 2 3 4 1 3 16 2 4 17 2 5 15 1 5 20 2 6 16 1 6 18 2 7 19 1 7 24 2 8 11 1 8 12 1 9 13 1 9 14 1 10 22 1 11 17 1 12 18 1 13 19 1 14 21 1 15 24 1 16 20 1 17 18 1 19 21 2 20 23 1 21 22 1 22 25 2 23 25 1 24 25 1', 'C18H12O7', 340.188, 'C', 'np03_210_1', 2360, '', '', '1', 1, NULL, NULL),
(9744, '', '5,2''-Dimethoxy-6,7:4'',5''-bis(methylenedioxy)isoflavone', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:102001]O[c:102]2[cH:103][c:104]1O[CH2:104001]O[c:105]1[cH:106][c:101]2[c:3]5[cH:2]o[c:9]4[cH:8][c:7]3O[CH2:6001]O[c:6]3[c:5](O[CH3:5001])[c:10]4[c:4]5=O', 'COc2cc1OCOc1cc2c5coc4cc3OCOc3c(OC)c4c5=O', '[CH3:57]O[c:153]2[cH:95][c:148]1O[CH2:101]O[c:141]1[cH:112][c:113]2[c:122]5[cH:152]o[c:155]4[cH:93][c:153]3O[CH2:102]O[c:136]3[c:142](O[CH3:61])[c:114]4[c:175]5=O', '27 31 C:5001 11.87 -9.76 O 15.51 -9.06 C:106 17.94 -9.06 C:105 19.15 -9.76 C:2 16.73 -5.56 C:102 19.15 -6.96 C:8 13.09 -4.86 C:6001 9.72 -6.27 O 13.09 -9.06 O 10.54 -5.13 O 10.54 -7.39 O 15.51 -4.86 C:101 17.94 -7.66 C:104 20.37 -9.06 C:103 20.37 -7.66 C:7 11.87 -5.56 C:3 16.73 -6.96 C:6 11.87 -6.96 C:5 13.09 -7.66 C:4 15.51 -7.66 C:9 14.30 -5.56 C:10 14.30 -6.96 O 19.44 -11.13 C:104001 20.83 -11.28 O 21.40 -10.00 O 19.14 -5.56 C:102001 20.34 -4.85 1 9 1 2 20 2 3 4 1 3 13 2 4 14 2 5 12 1 5 17 2 6 13 1 6 15 2 7 16 1 7 21 2 8 10 1 8 11 1 9 19 1 10 16 1 11 18 1 12 21 1 13 17 1 14 15 1 16 18 2 17 20 1 18 19 1 19 22 2 20 22 1 21 22 1 23 24 1 24 25 1 14 25 1 4 23 1 6 26 1 26 27 1', '27 31 C 11.87 -9.76 O 15.51 -9.06 C 17.94 -9.06 C 19.15 -9.76 C 16.73 -5.56 C 19.15 -6.96 C 13.09 -4.86 C 9.72 -6.27 O 13.09 -9.06 O 10.54 -5.13 O 10.54 -7.39 O 15.51 -4.86 C 17.94 -7.66 C 20.37 -9.06 C 20.37 -7.66 C 11.87 -5.56 C 16.73 -6.96 C 11.87 -6.96 C 13.09 -7.66 C 15.51 -7.66 C 14.30 -5.56 C 14.30 -6.96 O 19.44 -11.13 C 20.83 -11.28 O 21.40 -10.00 O 19.14 -5.56 C 20.34 -4.85 1 9 1 2 20 2 3 4 1 3 13 2 4 14 2 5 12 1 5 17 2 6 13 1 6 15 2 7 16 1 7 21 2 8 10 1 8 11 1 9 19 1 10 16 1 11 18 1 12 21 1 13 17 1 14 15 1 16 18 2 17 20 1 18 19 1 19 22 2 20 22 1 21 22 1 23 24 1 24 25 1 14 25 1 4 23 1 6 26 1 26 27 1', '27 31 C:61 11.87 -9.76 O 15.51 -9.06 C:112 17.94 -9.06 C:141 19.15 -9.76 C:152 16.73 -5.56 C:153 19.15 -6.96 C:93 13.09 -4.86 C:102 9.72 -6.27 O 13.09 -9.06 O 10.54 -5.13 O 10.54 -7.39 O 15.51 -4.86 C:113 17.94 -7.66 C:148 20.37 -9.06 C:95 20.37 -7.66 C:153 11.87 -5.56 C:122 16.73 -6.96 C:136 11.87 -6.96 C:142 13.09 -7.66 C:175 15.51 -7.66 C:155 14.30 -5.56 C:114 14.30 -6.96 O 19.44 -11.13 C:101 20.83 -11.28 O 21.40 -10.00 O 19.14 -5.56 C:57 20.34 -4.85 1 9 1 2 20 2 3 4 1 3 13 2 4 14 2 5 12 1 5 17 2 6 13 1 6 15 2 7 16 1 7 21 2 8 10 1 8 11 1 9 19 1 10 16 1 11 18 1 12 21 1 13 17 1 14 15 1 16 18 2 17 20 1 18 19 1 19 22 2 20 22 1 21 22 1 23 24 1 24 25 1 14 25 1 4 23 1 6 26 1 26 27 1', 'C19H14O8', 370.198, 'C', 'np03_210_3', 2360, '', '', '1', 1, NULL, NULL),
(9745, '', '5,3''-Dimethoxy-6,7:4'',5''-bis(methylenedioxy)isoflavone', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:103001]O[c:103]4[cH:102][c:101]([c:3]3[cH:2]o[c:9]2[cH:8][c:7]1O[CH2:6001]O[c:6]1[c:5](O[CH3:5001])[c:10]2[c:4]3=O)[cH:106][c:105]5O[CH2:104001]O[c:104]45', 'COc4cc(c3coc2cc1OCOc1c(OC)c2c3=O)cc5OCOc45', '[CH3:57]O[c:144]4[cH:109][c:126]([c:126]3[cH:151]o[c:155]2[cH:93][c:153]1O[CH2:102]O[c:136]1[c:142](O[CH3:61])[c:114]2[c:175]3=O)[cH:104][c:149]5O[CH2:101]O[c:135]45', '27 31 C:5001 11.19 -9.76 O 14.83 -9.06 C:2 16.04 -5.56 C:103 19.68 -7.66 C:106 17.25 -9.06 C:8 12.41 -4.86 C:104001 20.14 -11.28 C:6001 9.04 -6.27 O 12.41 -9.06 O 20.71 -10.00 O 18.75 -11.13 O 9.86 -5.13 O 9.86 -7.39 O 14.83 -4.86 C:102 18.46 -6.96 C:104 19.68 -9.06 C:105 18.46 -9.76 C:7 11.19 -5.56 C:101 17.25 -7.66 C:3 16.04 -6.96 C:6 11.19 -6.96 C:5 12.41 -7.66 C:4 14.83 -7.66 C:9 13.62 -5.56 C:10 13.62 -6.96 O 20.89 -6.96 C:103001 22.10 -7.67 1 9 1 2 23 2 3 14 1 3 20 2 4 15 2 4 16 1 5 17 1 5 19 2 6 18 1 6 24 2 7 10 1 7 11 1 8 12 1 8 13 1 9 22 1 10 16 1 11 17 1 12 18 1 13 21 1 14 24 1 15 19 1 16 17 2 18 21 2 19 20 1 20 23 1 21 22 1 22 25 2 23 25 1 24 25 1 4 26 1 26 27 1', '27 31 C 11.19 -9.76 O 14.83 -9.06 C 16.04 -5.56 C 19.68 -7.66 C 17.25 -9.06 C 12.41 -4.86 C 20.14 -11.28 C 9.04 -6.27 O 12.41 -9.06 O 20.71 -10.00 O 18.75 -11.13 O 9.86 -5.13 O 9.86 -7.39 O 14.83 -4.86 C 18.46 -6.96 C 19.68 -9.06 C 18.46 -9.76 C 11.19 -5.56 C 17.25 -7.66 C 16.04 -6.96 C 11.19 -6.96 C 12.41 -7.66 C 14.83 -7.66 C 13.62 -5.56 C 13.62 -6.96 O 20.89 -6.96 C 22.10 -7.67 1 9 1 2 23 2 3 14 1 3 20 2 4 15 2 4 16 1 5 17 1 5 19 2 6 18 1 6 24 2 7 10 1 7 11 1 8 12 1 8 13 1 9 22 1 10 16 1 11 17 1 12 18 1 13 21 1 14 24 1 15 19 1 16 17 2 18 21 2 19 20 1 20 23 1 21 22 1 22 25 2 23 25 1 24 25 1 4 26 1 26 27 1', '27 31 C:61 11.19 -9.76 O 14.83 -9.06 C:151 16.04 -5.56 C:144 19.68 -7.66 C:104 17.25 -9.06 C:93 12.41 -4.86 C:101 20.14 -11.28 C:102 9.04 -6.27 O 12.41 -9.06 O 20.71 -10.00 O 18.75 -11.13 O 9.86 -5.13 O 9.86 -7.39 O 14.83 -4.86 C:109 18.46 -6.96 C:135 19.68 -9.06 C:149 18.46 -9.76 C:153 11.19 -5.56 C:126 17.25 -7.66 C:126 16.04 -6.96 C:136 11.19 -6.96 C:142 12.41 -7.66 C:175 14.83 -7.66 C:155 13.62 -5.56 C:114 13.62 -6.96 O 20.89 -6.96 C:57 22.10 -7.67 1 9 1 2 23 2 3 14 1 3 20 2 4 15 2 4 16 1 5 17 1 5 19 2 6 18 1 6 24 2 7 10 1 7 11 1 8 12 1 8 13 1 9 22 1 10 16 1 11 17 1 12 18 1 13 21 1 14 24 1 15 19 1 16 17 2 18 21 2 19 20 1 20 23 1 21 22 1 22 25 2 23 25 1 24 25 1 4 26 1 26 27 1', 'C19H14O8', 370.198, 'C', 'np03_210_4', 2360, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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