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
(17166, 'Picrotin', '', 'Terpenoids', 'Sesquiterpenoids', 'Picrotoxanes', '[CH3:10][C:8]([CH3:9])(O)[C@H:4]1[C@@H:3]3O[C:15](=O)[C@H:5]1[C@@:6]4(O)[CH2:11][CH:12]2O[C:13]25[C:14](=O)O[C@@H:2]3[C@@:1]45[CH3:7]', 'CC(C)(O)[C@H]1[C@@H]3OC(=O)[C@H]1[C@@]4(O)CC2OC25C(=O)O[C@@H]3[C@@]45C', '[CH3:30][C:86]([CH3:29])(O)[C@H:52]1[C@@H:82]3O[C:175](=O)[C@H:63]1[C@@:75]4(O)[CH2:44][CH:54]2O[C:53]25[C:176](=O)O[C@@H:79]3[C@@:70]45[CH3:11]', '22 26 C:10 14.66 -14.36 C:9 13.47 -12.35 C:7 18.50 -9.66 O 16.11 -14.77 O 20.33 -8.05 O 13.37 -13.58 O 18.50 -13.73 C:11 19.77 -12.77 O 15.23 -11.92 O 17.67 -9.03 O 21.14 -10.44 C:15 16.11 -13.46 C:14 19.35 -9.03 C:12 20.55 -11.68 C:3 16.19 -11.01 C:2 17.35 -10.34 C:5 17.35 -13.02 C:4 16.19 -12.35 C:8 14.66 -13.02 C:6 18.50 -12.35 C:1 18.50 -11.01 C:13 19.77 -10.59 1 19 1 2 19 1 21 3 -1 4 12 2 5 13 2 6 19 1 20 7 -1 8 14 1 8 20 1 9 12 1 15 9 -2 10 13 1 16 10 -2 11 14 1 11 22 1 17 12 -2 13 22 1 14 22 1 15 16 1 15 18 1 16 21 1 17 18 1 17 20 1 18 19 -1 20 21 1 21 22 1', '22 26 C 14.66 -14.36 C 13.47 -12.35 C 18.50 -9.66 O 16.11 -14.77 O 20.33 -8.05 O 13.37 -13.58 O 18.50 -13.73 C 19.77 -12.77 O 15.23 -11.92 O 17.67 -9.03 O 21.14 -10.44 C 16.11 -13.46 C 19.35 -9.03 C 20.55 -11.68 C 16.19 -11.01 C 17.35 -10.34 C 17.35 -13.02 C 16.19 -12.35 C 14.66 -13.02 C 18.50 -12.35 C 18.50 -11.01 C 19.77 -10.59 1 19 1 2 19 1 21 3 -1 4 12 2 5 13 2 6 19 1 20 7 -1 8 14 1 8 20 1 9 12 1 15 9 -2 10 13 1 16 10 -2 11 14 1 11 22 1 17 12 -2 13 22 1 14 22 1 15 16 1 15 18 1 16 21 1 17 18 1 17 20 1 18 19 -1 20 21 1 21 22 1', '22 26 C:30 14.66 -14.36 C:29 13.47 -12.35 C:11 18.50 -9.66 O 16.11 -14.77 O 20.33 -8.05 O 13.37 -13.58 O 18.50 -13.73 C:44 19.77 -12.77 O 15.23 -11.92 O 17.67 -9.03 O 21.14 -10.44 C:175 16.11 -13.46 C:176 19.35 -9.03 C:54 20.55 -11.68 C:82 16.19 -11.01 C:79 17.35 -10.34 C:63 17.35 -13.02 C:52 16.19 -12.35 C:86 14.66 -13.02 C:75 18.50 -12.35 C:70 18.50 -11.01 C:53 19.77 -10.59 1 19 1 2 19 1 21 3 -1 4 12 2 5 13 2 6 19 1 20 7 -1 8 14 1 8 20 1 9 12 1 15 9 -2 10 13 1 16 10 -2 11 14 1 11 22 1 17 12 -2 13 22 1 14 22 1 15 16 1 15 18 1 16 21 1 17 18 1 17 20 1 18 19 -1 20 21 1 21 22 1', 'C15H18O7', 310.156, 'C', 'ph50_1365_3', 4277, '', '', '1', 1, NULL, NULL),
(17167, '', 'Dihydroxypicrotoxinin', 'Terpenoids', 'Sesquiterpenoids', 'Picrotoxanes', '[CH3:10][C:8](O)([CH2:9]O)[C@H:4]1[C@@H:3]3O[C:15](=O)[C@H:5]1[C@@:6]4(O)[CH2:11][CH:12]2O[C:13]25[C:14](=O)O[C@@H:2]3[C@@:1]45[CH3:7]', 'CC(O)(CO)[C@H]1[C@@H]3OC(=O)[C@H]1[C@@]4(O)CC2OC25C(=O)O[C@@H]3[C@@]45C', '[CH3:24][C:86](O)([CH2:70]O)[C@H:52]1[C@@H:80]3O[C:174](=O)[C@H:63]1[C@@:75]4(O)[CH2:45][CH:50]2O[C:51]25[C:177](=O)O[C@@H:83]3[C@@:71]45[CH3:10]', '23 27 C:10 15.22 -14.36 C:7 19.06 -9.66 O 16.67 -14.77 O 20.89 -8.05 O 12.84 -13.09 O 13.93 -13.58 O 19.06 -13.73 C:9 14.03 -12.35 C:11 20.33 -12.77 O 15.79 -11.92 O 18.23 -9.03 O 21.70 -10.44 C:15 16.67 -13.46 C:14 19.91 -9.03 C:12 21.11 -11.68 C:3 16.75 -11.01 C:2 17.91 -10.34 C:5 17.91 -13.02 C:4 16.75 -12.35 C:8 15.22 -13.02 C:6 19.06 -12.35 C:1 19.06 -11.01 C:13 20.33 -10.59 1 20 1 22 2 -1 3 13 2 4 14 2 5 8 1 6 20 1 21 7 -1 8 20 1 9 15 1 9 21 1 10 13 1 16 10 -2 11 14 1 17 11 -2 12 15 1 12 23 1 18 13 -2 14 23 1 15 23 1 16 17 1 16 19 1 17 22 1 18 19 1 18 21 1 19 20 -1 21 22 1 22 23 1', '23 27 C 15.22 -14.36 C 19.06 -9.66 O 16.67 -14.77 O 20.89 -8.05 O 12.84 -13.09 O 13.93 -13.58 O 19.06 -13.73 C 14.03 -12.35 C 20.33 -12.77 O 15.79 -11.92 O 18.23 -9.03 O 21.70 -10.44 C 16.67 -13.46 C 19.91 -9.03 C 21.11 -11.68 C 16.75 -11.01 C 17.91 -10.34 C 17.91 -13.02 C 16.75 -12.35 C 15.22 -13.02 C 19.06 -12.35 C 19.06 -11.01 C 20.33 -10.59 1 20 1 22 2 -1 3 13 2 4 14 2 5 8 1 6 20 1 21 7 -1 8 20 1 9 15 1 9 21 1 10 13 1 16 10 -2 11 14 1 17 11 -2 12 15 1 12 23 1 18 13 -2 14 23 1 15 23 1 16 17 1 16 19 1 17 22 1 18 19 1 18 21 1 19 20 -1 21 22 1 22 23 1', '23 27 C:24 15.22 -14.36 C:10 19.06 -9.66 O 16.67 -14.77 O 20.89 -8.05 O 12.84 -13.09 O 13.93 -13.58 O 19.06 -13.73 C:70 14.03 -12.35 C:45 20.33 -12.77 O 15.79 -11.92 O 18.23 -9.03 O 21.70 -10.44 C:174 16.67 -13.46 C:177 19.91 -9.03 C:50 21.11 -11.68 C:80 16.75 -11.01 C:83 17.91 -10.34 C:63 17.91 -13.02 C:52 16.75 -12.35 C:86 15.22 -13.02 C:75 19.06 -12.35 C:71 19.06 -11.01 C:51 20.33 -10.59 1 20 1 22 2 -1 3 13 2 4 14 2 5 8 1 6 20 1 21 7 -1 8 20 1 9 15 1 9 21 1 10 13 1 16 10 -2 11 14 1 17 11 -2 12 15 1 12 23 1 18 13 -2 14 23 1 15 23 1 16 17 1 16 19 1 17 22 1 18 19 1 18 21 1 19 20 -1 21 22 1 22 23 1', 'C15H18O8', 326.156, 'M', 'ph50_1365_4', 4277, '', '', '1', 1, NULL, NULL),
(17168, 'Picrotoxic acid', '', 'Terpenoids', 'Sesquiterpenoids', 'Picrotoxanes', '[CH2:10]=[C:8]([CH3:9])[C@H:4]2[C@@H:3](O)[C@@H:2]3O[C:14](=O)[C:13]14O[CH:12]1[CH2:11][C@:6](O)([C@@H:5]2[C:15](=O)O)[C@:1]34[CH3:7]', 'C=C(C)[C@H]2[C@@H](O)[C@@H]3OC(=O)C14OC1C[C@](O)([C@@H]2C(=O)O)[C@]34C', '[CH2:114]=[C:145]([CH3:23])[C@H:48]2[C@@H:82](O)[C@@H:83]3O[C:176](=O)[C:49]14O[CH:52]1[CH2:44][C@:87](O)([C@@H:45]2[C:171](=O)O)[C@:60]34[CH3:12]', '22 25 C:10 14.60 -14.20 C:9 13.40 -12.18 C:7 18.45 -9.47 O 16.10 -14.96 O 20.28 -7.84 O 18.53 -14.96 O 14.92 -10.12 O 18.45 -13.56 C:11 19.74 -12.60 O 17.62 -8.83 O 21.09 -10.25 C:8 14.60 -12.85 C:15 17.31 -14.26 C:14 19.31 -8.83 C:3 16.10 -10.84 C:12 20.50 -11.51 C:2 17.31 -10.12 C:4 16.10 -12.18 C:5 17.31 -12.85 C:1 18.45 -10.84 C:6 18.45 -12.18 C:13 19.74 -10.40 1 12 2 2 12 1 20 3 -1 4 13 2 5 14 2 6 13 1 15 7 -1 21 8 -1 9 16 1 9 21 1 10 14 1 17 10 -2 11 16 1 11 22 1 18 12 -1 19 13 -2 14 22 1 15 17 1 15 18 1 16 22 1 17 20 1 18 19 1 19 21 1 20 21 1 20 22 1', '22 25 C 14.60 -14.20 C 13.40 -12.18 C 18.45 -9.47 O 16.10 -14.96 O 20.28 -7.84 O 18.53 -14.96 O 14.92 -10.12 O 18.45 -13.56 C 19.74 -12.60 O 17.62 -8.83 O 21.09 -10.25 C 14.60 -12.85 C 17.31 -14.26 C 19.31 -8.83 C 16.10 -10.84 C 20.50 -11.51 C 17.31 -10.12 C 16.10 -12.18 C 17.31 -12.85 C 18.45 -10.84 C 18.45 -12.18 C 19.74 -10.40 1 12 2 2 12 1 20 3 -1 4 13 2 5 14 2 6 13 1 15 7 -1 21 8 -1 9 16 1 9 21 1 10 14 1 17 10 -2 11 16 1 11 22 1 18 12 -1 19 13 -2 14 22 1 15 17 1 15 18 1 16 22 1 17 20 1 18 19 1 19 21 1 20 21 1 20 22 1', '22 25 C:114 14.60 -14.20 C:23 13.40 -12.18 C:12 18.45 -9.47 O 16.10 -14.96 O 20.28 -7.84 O 18.53 -14.96 O 14.92 -10.12 O 18.45 -13.56 C:44 19.74 -12.60 O 17.62 -8.83 O 21.09 -10.25 C:145 14.60 -12.85 C:171 17.31 -14.26 C:176 19.31 -8.83 C:82 16.10 -10.84 C:52 20.50 -11.51 C:83 17.31 -10.12 C:48 16.10 -12.18 C:45 17.31 -12.85 C:60 18.45 -10.84 C:87 18.45 -12.18 C:49 19.74 -10.40 1 12 2 2 12 1 20 3 -1 4 13 2 5 14 2 6 13 1 15 7 -1 21 8 -1 9 16 1 9 21 1 10 14 1 17 10 -2 11 16 1 11 22 1 18 12 -1 19 13 -2 14 22 1 15 17 1 15 18 1 16 22 1 17 20 1 18 19 1 19 21 1 20 21 1 20 22 1', 'C15H18O7', 310.156, 'D', 'ph50_1365_5', 4277, '', '', '1', 1, NULL, NULL),
(17169, 'Barbiacoradienone', '', 'Terpenoids', 'Sesquiterpenoids', 'Acoranes', '[CH3:12][C:11]([CH3:13])=[C:7]1[C:8](=O)[CH2:9][C@@H:10]([CH3:14])[C@@:1]12[CH2:6][CH:5]=[C:4]([CH3:15])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2]2O[C:2001]([CH3:2002])=O', 'CC(C)=C1C(=O)C[C@@H](C)[C@@]12CC=C(C)[C@@H](OC(C)=O)[C@H]2OC(C)=O', '[CH3:23][C:150]([CH3:24])=[C:134]1[C:206](=O)[CH2:46][C@@H:35]([CH3:19])[C@@:50]12[CH2:35][CH:125]=[C:131]([CH3:20])[C@@H:69](O[C:170]([CH3:21])=O)[C@H:73]2O[C:170]([CH3:21])=O', '24 25 C:12 17.78 -12.66 C:13 20.17 -12.16 C:3002 14.88 -15.41 C:2002 18.42 -14.72 C:15 13.60 -11.88 C:14 16.35 -7.47 O 13.67 -13.31 O 19.62 -12.57 O 20.86 -9.46 C:5 14.82 -9.80 C:6 16.06 -9.09 C:9 18.77 -8.11 O 16.06 -13.31 O 17.20 -12.57 C:11 18.83 -11.72 C:3001 14.88 -14.01 C:2001 18.42 -13.31 C:4 14.82 -11.18 C:8 19.47 -9.32 C:7 18.53 -10.35 C:10 17.38 -8.40 C:3 16.06 -11.88 C:2 17.20 -11.18 C:1 17.20 -9.80 1 15 1 2 15 1 3 16 1 4 17 1 5 18 1 21 6 -2 7 16 2 8 17 2 9 19 2 10 11 1 10 18 2 24 11 -2 12 19 1 12 21 1 13 16 1 22 13 -2 14 17 1 23 14 -2 15 20 2 18 22 1 19 20 1 24 20 -1 21 24 1 22 23 1 23 24 1', '24 25 C 17.78 -12.66 C 20.17 -12.16 C 14.88 -15.41 C 18.42 -14.72 C 13.60 -11.88 C 16.35 -7.47 O 13.67 -13.31 O 19.62 -12.57 O 20.86 -9.46 C 14.82 -9.80 C 16.06 -9.09 C 18.77 -8.11 O 16.06 -13.31 O 17.20 -12.57 C 18.83 -11.72 C 14.88 -14.01 C 18.42 -13.31 C 14.82 -11.18 C 19.47 -9.32 C 18.53 -10.35 C 17.38 -8.40 C 16.06 -11.88 C 17.20 -11.18 C 17.20 -9.80 1 15 1 2 15 1 3 16 1 4 17 1 5 18 1 21 6 -2 7 16 2 8 17 2 9 19 2 10 11 1 10 18 2 24 11 -2 12 19 1 12 21 1 13 16 1 22 13 -2 14 17 1 23 14 -2 15 20 2 18 22 1 19 20 1 24 20 -1 21 24 1 22 23 1 23 24 1', '24 25 C:23 17.78 -12.66 C:24 20.17 -12.16 C:21 14.88 -15.41 C:21 18.42 -14.72 C:20 13.60 -11.88 C:19 16.35 -7.47 O 13.67 -13.31 O 19.62 -12.57 O 20.86 -9.46 C:125 14.82 -9.80 C:35 16.06 -9.09 C:46 18.77 -8.11 O 16.06 -13.31 O 17.20 -12.57 C:150 18.83 -11.72 C:170 14.88 -14.01 C:170 18.42 -13.31 C:131 14.82 -11.18 C:206 19.47 -9.32 C:134 18.53 -10.35 C:35 17.38 -8.40 C:69 16.06 -11.88 C:73 17.20 -11.18 C:50 17.20 -9.80 1 15 1 2 15 1 3 16 1 4 17 1 5 18 1 21 6 -2 7 16 2 8 17 2 9 19 2 10 11 1 10 18 2 24 11 -2 12 19 1 12 21 1 13 16 1 22 13 -2 14 17 1 23 14 -2 15 20 2 18 22 1 19 20 1 24 20 -1 21 24 1 22 23 1 23 24 1', 'C19H26O5', 334.2, 'C', 'ph51_563_1', 4278, '', '', '1', 1, NULL, NULL),
(17170, 'Germacrene D', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:15]=[C:4]1[CH:5]=[CH:6][C@H:7]([CH:11]([CH3:12])[CH3:13])[CH2:8][CH2:9][C:10]([CH3:14])=[CH:1][CH2:2][CH2:3]1', 'C=C1C=C[C@H](C(C)C)CCC(C)=CCC1', '[CH2:110]=[C:149]1[CH:137]=[CH:133][C@H:54]([CH:33]([CH3:20])[CH3:21])[CH2:27][CH2:41][C:134]([CH3:16])=[CH:130][CH2:30][CH2:35]1', '15 15 C:15 13.99 -12.49 C:14 17.84 -8.00 C:12 18.36 -14.84 C:13 20.54 -13.75 C:5 16.30 -11.36 C:6 17.17 -12.49 C:1 16.62 -10.00 C:2 15.45 -9.20 C:3 14.35 -10.07 C:9 19.14 -10.00 C:8 19.40 -11.36 C:4 14.81 -11.36 C:10 17.84 -9.39 C:11 19.14 -13.70 C:7 18.54 -12.49 1 12 2 2 13 1 3 14 1 4 14 1 5 6 2 5 12 1 6 15 1 7 8 1 7 13 2 8 9 1 9 12 1 10 11 1 10 13 1 11 15 1 15 14 -1', '15 15 C 13.99 -12.49 C 17.84 -8.00 C 18.36 -14.84 C 20.54 -13.75 C 16.30 -11.36 C 17.17 -12.49 C 16.62 -10.00 C 15.45 -9.20 C 14.35 -10.07 C 19.14 -10.00 C 19.40 -11.36 C 14.81 -11.36 C 17.84 -9.39 C 19.14 -13.70 C 18.54 -12.49 1 12 2 2 13 1 3 14 1 4 14 1 5 6 2 5 12 1 6 15 1 7 8 1 7 13 2 8 9 1 9 12 1 10 11 1 10 13 1 11 15 1 15 14 -1', '15 15 C:110 13.99 -12.49 C:16 17.84 -8.00 C:20 18.36 -14.84 C:21 20.54 -13.75 C:137 16.30 -11.36 C:133 17.17 -12.49 C:130 16.62 -10.00 C:30 15.45 -9.20 C:35 14.35 -10.07 C:41 19.14 -10.00 C:27 19.40 -11.36 C:149 14.81 -11.36 C:134 17.84 -9.39 C:33 19.14 -13.70 C:54 18.54 -12.49 1 12 2 2 13 1 3 14 1 4 14 1 5 6 2 5 12 1 6 15 1 7 8 1 7 13 2 8 9 1 9 12 1 10 11 1 10 13 1 11 15 1 15 14 -1', 'C15H24', 204.161, 'B', 'ph55_141_1', 4279, '', '', '1', 1, NULL, NULL),
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(17186, '', '(-)-Cumacrene, (4S)-4-[(1R,2S)-2-isopropenyl- 1-methylcyclobutyl]-1-methylcyclohexene', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@@:1]2([C@@:7]1([CH3:15])[CH2:10][CH2:9][C@H:8]1[C:11](=[CH2:12])[CH3:13])[CH2:6][CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2]2', '[H][C@@]2([C@@]1(C)CC[C@H]1C(=C)C)CC=C(C)CC2', '[H][C@@:38]2([C@@:46]1([CH3:25])[CH2:30][CH2:20][C@H:53]1[C:147](=[CH2:110])[CH3:24])[CH2:27][CH:121]=[C:134]([CH3:23])[CH2:31][CH2:24]2', '16 17 H 16.87 -11.25 C:12 17.37 -13.53 C:13 15.27 -14.74 C:14 20.62 -8.06 C:15 15.97 -9.59 C:5 19.37 -10.21 C:6 18.11 -10.94 C:3 18.11 -8.06 C:9 13.91 -11.95 C:2 16.87 -8.77 C:10 14.27 -10.59 C:11 15.97 -13.53 C:4 19.37 -8.77 C:8 15.27 -12.32 C:1 16.87 -10.21 C:7 15.64 -10.94 15 1 -2 2 12 2 3 12 1 4 13 1 16 5 -1 6 7 1 6 13 2 7 15 1 8 10 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 14 12 -2 14 16 1 15 16 1', '16 17 H 16.87 -11.25 C 17.37 -13.53 C 15.27 -14.74 C 20.62 -8.06 C 15.97 -9.59 C 19.37 -10.21 C 18.11 -10.94 C 18.11 -8.06 C 13.91 -11.95 C 16.87 -8.77 C 14.27 -10.59 C 15.97 -13.53 C 19.37 -8.77 C 15.27 -12.32 C 16.87 -10.21 C 15.64 -10.94 15 1 -2 2 12 2 3 12 1 4 13 1 16 5 -1 6 7 1 6 13 2 7 15 1 8 10 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 14 12 -2 14 16 1 15 16 1', '16 17 H 16.87 -11.25 C:110 17.37 -13.53 C:24 15.27 -14.74 C:23 20.62 -8.06 C:25 15.97 -9.59 C:121 19.37 -10.21 C:27 18.11 -10.94 C:31 18.11 -8.06 C:20 13.91 -11.95 C:24 16.87 -8.77 C:30 14.27 -10.59 C:147 15.97 -13.53 C:134 19.37 -8.77 C:53 15.27 -12.32 C:38 16.87 -10.21 C:46 15.64 -10.94 15 1 -2 2 12 2 3 12 1 4 13 1 16 5 -1 6 7 1 6 13 2 7 15 1 8 10 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 14 12 -2 14 16 1 15 16 1', 'C15H24', 204.168, 'C', 'ph66_249_8', 4280, '', '', '1', 1, NULL, NULL),
(17187, '', '(-)-Cumacrene, (4S)-4-[(1R,2S)-2-isopropenyl- 1-methylcyclobutyl]-1-methylcyclohexene', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@@:1]2([C@@:7]1([CH3:15])[CH2:10][CH2:9][C@H:8]1[C:11](=[CH2:12])[CH3:13])[CH2:6][CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2]2', '[H][C@@]2([C@@]1(C)CC[C@H]1C(=C)C)CC=C(C)CC2', '[H][C@@:38]2([C@@:46]1([CH3:25])[CH2:30][CH2:20][C@H:53]1[C:147](=[CH2:111])[CH3:24])[CH2:27][CH:122]=[C:133]([CH3:24])[CH2:32][CH2:25]2', '16 17 H 16.87 -11.25 C:12 17.37 -13.53 C:13 15.27 -14.74 C:14 20.62 -8.06 C:15 15.97 -9.59 C:5 19.37 -10.21 C:6 18.11 -10.94 C:3 18.11 -8.06 C:9 13.91 -11.95 C:2 16.87 -8.77 C:10 14.27 -10.59 C:11 15.97 -13.53 C:4 19.37 -8.77 C:8 15.27 -12.32 C:1 16.87 -10.21 C:7 15.64 -10.94 15 1 -2 2 12 2 3 12 1 4 13 1 16 5 -1 6 7 1 6 13 2 7 15 1 8 10 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 14 12 -2 14 16 1 15 16 1', '16 17 H 16.87 -11.25 C 17.37 -13.53 C 15.27 -14.74 C 20.62 -8.06 C 15.97 -9.59 C 19.37 -10.21 C 18.11 -10.94 C 18.11 -8.06 C 13.91 -11.95 C 16.87 -8.77 C 14.27 -10.59 C 15.97 -13.53 C 19.37 -8.77 C 15.27 -12.32 C 16.87 -10.21 C 15.64 -10.94 15 1 -2 2 12 2 3 12 1 4 13 1 16 5 -1 6 7 1 6 13 2 7 15 1 8 10 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 14 12 -2 14 16 1 15 16 1', '16 17 H 16.87 -11.25 C:111 17.37 -13.53 C:24 15.27 -14.74 C:24 20.62 -8.06 C:25 15.97 -9.59 C:122 19.37 -10.21 C:27 18.11 -10.94 C:32 18.11 -8.06 C:20 13.91 -11.95 C:25 16.87 -8.77 C:30 14.27 -10.59 C:147 15.97 -13.53 C:133 19.37 -8.77 C:53 15.27 -12.32 C:38 16.87 -10.21 C:46 15.64 -10.94 15 1 -2 2 12 2 3 12 1 4 13 1 16 5 -1 6 7 1 6 13 2 7 15 1 8 10 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 14 12 -2 14 16 1 15 16 1', 'C15H24', 204.168, 'B', 'ph66_249_8', 4280, '', '', '1', 1, NULL, NULL),
(17188, '', '(-)-10-epi-β-Acoradiene, (1S,4S,5R)-1- isopropenyl-4,8-dimethylspiro[4.5]dec-7-ene', 'Terpenoids', 'Sesquiterpenoids', 'Acoranes', '[CH2:12]=[C:11]([CH3:13])[C@@H:7]1[CH2:8][CH2:9][C@H:10]([CH3:14])[C@@:1]12[CH2:2][CH:3]=[C:4]([CH3:15])[CH2:5][CH2:6]2', 'C=C(C)[C@@H]1CC[C@H](C)[C@@]12CC=C(C)CC2', '[CH2:112]=[C:147]([CH3:24])[C@@H:58]1[CH2:28][CH2:31][C@H:44]([CH3:16])[C@@:45]12[CH2:39][CH:121]=[C:134]([CH3:23])[CH2:29][CH2:24]2', '15 16 C:12 18.13 -14.04 C:13 20.51 -13.54 C:15 13.96 -13.26 C:14 16.71 -8.83 C:3 16.39 -13.26 C:5 15.18 -11.16 C:2 17.59 -12.55 C:9 19.11 -9.47 C:8 19.81 -10.68 C:6 16.39 -10.45 C:11 19.17 -13.10 C:4 15.18 -12.55 C:10 17.74 -9.76 C:7 18.87 -11.72 C:1 17.59 -11.16 1 11 2 2 11 1 3 12 1 13 4 -1 5 7 1 5 12 2 6 10 1 6 12 1 15 7 -2 8 9 1 8 13 1 9 14 1 15 10 -1 14 11 -1 13 15 1 14 15 1', '15 16 C 18.13 -14.04 C 20.51 -13.54 C 13.96 -13.26 C 16.71 -8.83 C 16.39 -13.26 C 15.18 -11.16 C 17.59 -12.55 C 19.11 -9.47 C 19.81 -10.68 C 16.39 -10.45 C 19.17 -13.10 C 15.18 -12.55 C 17.74 -9.76 C 18.87 -11.72 C 17.59 -11.16 1 11 2 2 11 1 3 12 1 13 4 -1 5 7 1 5 12 2 6 10 1 6 12 1 15 7 -2 8 9 1 8 13 1 9 14 1 15 10 -1 14 11 -1 13 15 1 14 15 1', '15 16 C:112 18.13 -14.04 C:24 20.51 -13.54 C:23 13.96 -13.26 C:16 16.71 -8.83 C:121 16.39 -13.26 C:29 15.18 -11.16 C:39 17.59 -12.55 C:31 19.11 -9.47 C:28 19.81 -10.68 C:24 16.39 -10.45 C:147 19.17 -13.10 C:134 15.18 -12.55 C:44 17.74 -9.76 C:58 18.87 -11.72 C:45 17.59 -11.16 1 11 2 2 11 1 3 12 1 13 4 -1 5 7 1 5 12 2 6 10 1 6 12 1 15 7 -2 8 9 1 8 13 1 9 14 1 15 10 -1 14 11 -1 13 15 1 14 15 1', 'C15H24', 204.161, 'C', 'ph66_249_12', 4280, '', '', '1', 1, NULL, NULL),
(17189, '', '(-)-Widdra-2,4(14)-diene, (4aR,9aR)-1,1,4atrimethyl- 7-methylene-2,3,4,4a,5,6,7,9a-octahydro-1 H-benzo[7]annulene', 'Terpenoids', 'Sesquiterpenoids', 'Widdranes', '[H][C@:1]12[CH:2]=[CH:3][C:4](=[CH2:14])[CH2:5][CH2:6][C@@:7]1([CH3:15])[CH2:8][CH2:9][CH2:10][C@@:11]2([CH3:13])[CH3:12]', '[H][C@]12C=CC(=C)CC[C@@]1(C)CCC[C@@]2(C)C', '[H][C@:58]12[CH:131]=[CH:133][C:148](=[CH2:114])[CH2:32][CH2:36][C@@:36]1([CH3:31])[CH2:45][CH2:19][CH2:42][C@@:37]2([CH3:33])[CH3:23]', '16 17 H 16.23 -13.00 C:14 20.74 -11.15 C:13 14.04 -13.71 C:12 16.02 -13.64 C:15 16.23 -9.10 C:3 18.71 -12.47 C:2 17.33 -12.81 C:9 13.72 -10.55 C:5 18.71 -9.88 C:10 13.72 -11.98 C:8 15.00 -9.83 C:6 17.33 -9.59 C:4 19.30 -11.15 C:1 16.23 -11.98 C:11 15.00 -12.69 C:7 16.23 -10.50 14 1 -1 2 13 2 15 3 -1 15 4 -2 16 5 -1 6 7 2 6 13 1 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 15 1 11 16 1 12 16 1 14 15 1 14 16 1', '16 17 H 16.23 -13.00 C 20.74 -11.15 C 14.04 -13.71 C 16.02 -13.64 C 16.23 -9.10 C 18.71 -12.47 C 17.33 -12.81 C 13.72 -10.55 C 18.71 -9.88 C 13.72 -11.98 C 15.00 -9.83 C 17.33 -9.59 C 19.30 -11.15 C 16.23 -11.98 C 15.00 -12.69 C 16.23 -10.50 14 1 -1 2 13 2 15 3 -1 15 4 -2 16 5 -1 6 7 2 6 13 1 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 15 1 11 16 1 12 16 1 14 15 1 14 16 1', '16 17 H 16.23 -13.00 C:114 20.74 -11.15 C:33 14.04 -13.71 C:23 16.02 -13.64 C:31 16.23 -9.10 C:133 18.71 -12.47 C:131 17.33 -12.81 C:19 13.72 -10.55 C:32 18.71 -9.88 C:42 13.72 -11.98 C:45 15.00 -9.83 C:36 17.33 -9.59 C:148 19.30 -11.15 C:58 16.23 -11.98 C:37 15.00 -12.69 C:36 16.23 -10.50 14 1 -1 2 13 2 15 3 -1 15 4 -2 16 5 -1 6 7 2 6 13 1 7 14 1 8 10 1 8 11 1 9 12 1 9 13 1 10 15 1 11 16 1 12 16 1 14 15 1 14 16 1', 'C15H24', 204.168, 'B', 'ph66_249_15', 4280, '', '', '1', 1, NULL, NULL),
(17190, 'Echinolactone A', '', 'Terpenoids', 'Sesquiterpenoids', 'Illudalanes', '[CH3:15][c:3]2[c:6]1[CH2:5][CH2:4]O[C:14](=O)[c:7]1[cH:8][c:9]3[C:10](=O)[C@:11]([CH3:12])([CH3:13])[CH2:1][c:2]23', 'Cc2c1CCOC(=O)c1cc3C(=O)[C@](C)(C)Cc23', '[CH3:15][c:133]2[c:144]1[CH2:25][CH2:66]O[C:165](=O)[c:126]1[cH:125][c:134]3[C:210](=O)[C@:45]([CH3:25])([CH3:25])[CH2:43][c:156]23', '18 20 C:15 16.86 -8.63 C:12 21.28 -12.50 C:13 21.28 -10.48 O 14.44 -14.23 O 19.88 -13.93 C:8 16.86 -12.87 C:4 13.26 -10.82 C:5 14.44 -10.14 C:1 19.46 -10.34 O 13.26 -12.19 C:14 14.44 -12.87 C:10 19.46 -12.65 C:3 16.86 -10.07 C:7 15.62 -12.19 C:9 18.09 -12.19 C:6 15.62 -10.82 C:2 18.09 -10.82 C:11 20.29 -11.50 1 13 1 18 2 -2 18 3 -1 4 11 2 5 12 2 6 14 2 6 15 1 7 8 1 7 10 1 8 16 1 9 17 1 9 18 1 10 11 1 11 14 1 12 15 1 12 18 1 13 16 2 13 17 1 14 16 1 15 17 2', '18 20 C 16.86 -8.63 C 21.28 -12.50 C 21.28 -10.48 O 14.44 -14.23 O 19.88 -13.93 C 16.86 -12.87 C 13.26 -10.82 C 14.44 -10.14 C 19.46 -10.34 O 13.26 -12.19 C 14.44 -12.87 C 19.46 -12.65 C 16.86 -10.07 C 15.62 -12.19 C 18.09 -12.19 C 15.62 -10.82 C 18.09 -10.82 C 20.29 -11.50 1 13 1 18 2 -2 18 3 -1 4 11 2 5 12 2 6 14 2 6 15 1 7 8 1 7 10 1 8 16 1 9 17 1 9 18 1 10 11 1 11 14 1 12 15 1 12 18 1 13 16 2 13 17 1 14 16 1 15 17 2', '18 20 C:15 16.86 -8.63 C:25 21.28 -12.50 C:25 21.28 -10.48 O 14.44 -14.23 O 19.88 -13.93 C:125 16.86 -12.87 C:66 13.26 -10.82 C:25 14.44 -10.14 C:43 19.46 -10.34 O 13.26 -12.19 C:165 14.44 -12.87 C:210 19.46 -12.65 C:133 16.86 -10.07 C:126 15.62 -12.19 C:134 18.09 -12.19 C:144 15.62 -10.82 C:156 18.09 -10.82 C:45 20.29 -11.50 1 13 1 18 2 -2 18 3 -1 4 11 2 5 12 2 6 14 2 6 15 1 7 8 1 7 10 1 8 16 1 9 17 1 9 18 1 10 11 1 11 14 1 12 15 1 12 18 1 13 16 2 13 17 1 14 16 1 15 17 2', 'C15H16O3', 244.159, 'C', 'ph66_2329_1', 4281, '', '1', '1', 1, NULL, NULL),
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(17192, 'Valeric acid', '', 'Terpenoids', 'Sesquiterpenoids', 'Valerenanes', '[H][C@:1]12[CH2:2][CH2:3][C:4]([CH3:15])=[C:5]1[C@H:6]([CH:7]=[C:11]([CH3:12])[C:13](=O)O)[CH2:8][CH2:9][C@H:10]2[CH3:14]', '[H][C@]12CCC(C)=C1[C@H](C=C(C)C(=O)O)CC[C@H]2C', '[H][C@:48]12[CH2:25][CH2:38][C:132]([CH3:14])=[C:134]1[C@H:35]([CH:147]=[C:126]([CH3:12])[C:175](=O)O)[CH2:26][CH2:29][C@H:33]2[CH3:12]', '18 19 H 18.00 -8.36 C:12 14.29 -12.87 C:15 19.82 -12.52 C:14 16.76 -7.14 O 16.70 -15.76 O 14.34 -15.71 C:7 16.76 -12.87 C:3 20.22 -10.01 C:9 15.53 -9.29 C:8 15.53 -10.71 C:2 19.37 -8.85 C:11 15.53 -13.58 C:13 15.53 -15.02 C:4 19.37 -11.16 C:5 18.00 -10.71 C:10 16.76 -8.57 C:6 16.76 -11.43 C:1 18.00 -9.29 18 1 -2 2 12 1 3 14 1 16 4 -1 5 13 2 6 13 1 7 12 2 17 7 -2 8 11 1 8 14 1 9 10 1 9 16 1 10 17 1 11 18 1 12 13 1 14 15 2 15 17 1 15 18 1 16 18 1', '18 19 H 18.00 -8.36 C 14.29 -12.87 C 19.82 -12.52 C 16.76 -7.14 O 16.70 -15.76 O 14.34 -15.71 C 16.76 -12.87 C 20.22 -10.01 C 15.53 -9.29 C 15.53 -10.71 C 19.37 -8.85 C 15.53 -13.58 C 15.53 -15.02 C 19.37 -11.16 C 18.00 -10.71 C 16.76 -8.57 C 16.76 -11.43 C 18.00 -9.29 18 1 -2 2 12 1 3 14 1 16 4 -1 5 13 2 6 13 1 7 12 2 17 7 -2 8 11 1 8 14 1 9 10 1 9 16 1 10 17 1 11 18 1 12 13 1 14 15 2 15 17 1 15 18 1 16 18 1', '18 19 H 18.00 -8.36 C:12 14.29 -12.87 C:14 19.82 -12.52 C:12 16.76 -7.14 O 16.70 -15.76 O 14.34 -15.71 C:147 16.76 -12.87 C:38 20.22 -10.01 C:29 15.53 -9.29 C:26 15.53 -10.71 C:25 19.37 -8.85 C:126 15.53 -13.58 C:175 15.53 -15.02 C:132 19.37 -11.16 C:134 18.00 -10.71 C:33 16.76 -8.57 C:35 16.76 -11.43 C:48 18.00 -9.29 18 1 -2 2 12 1 3 14 1 16 4 -1 5 13 2 6 13 1 7 12 2 17 7 -2 8 11 1 8 14 1 9 10 1 9 16 1 10 17 1 11 18 1 12 13 1 14 15 2 15 17 1 15 18 1 16 18 1', 'C15H22O2', 234.167, 'C', 'pm02_661_1', 4282, '', '9', '1', 1, NULL, NULL),
(17193, '', '(-)-3β,4β- Epoxyvalerenic acid', 'Terpenoids', 'Sesquiterpenoids', 'Valerenanes', '[H][C@:1]13[CH2:2][CH2:3][C@:4]2([CH3:15])O[C@:5]12[C@H:6]([CH:7]=[C:11]([CH3:12])[C:13](=O)O)[CH2:8][CH2:9][C@H:10]3[CH3:14]', '[H][C@]13CC[C@]2(C)O[C@]12[C@H](C=C(C)C(=O)O)CC[C@H]3C', '[H][C@:41]13[CH2:25][CH2:33][C@:72]2([CH3:16])O[C@:71]12[C@H:35]([CH:144]=[C:129]([CH3:13])[C:174](=O)O)[CH2:24][CH2:28][C@H:33]3[CH3:14]', '19 21 H 17.94 -8.34 C:12 14.31 -12.80 C:14 16.71 -7.14 C:15 19.74 -12.45 O 16.65 -15.66 O 14.31 -15.61 C:7 16.71 -12.80 C:9 15.49 -9.26 C:8 15.49 -10.67 C:2 19.30 -8.83 C:3 20.14 -9.97 O 18.23 -12.22 C:11 15.49 -13.50 C:13 15.49 -14.93 C:10 16.71 -8.55 C:6 16.71 -11.38 C:1 17.94 -9.26 C:4 19.30 -11.11 C:5 17.94 -10.67 17 1 -2 2 13 1 15 3 -1 18 4 -1 5 14 2 6 14 1 7 13 2 16 7 -2 8 9 1 8 15 1 9 16 1 10 11 1 10 17 1 11 18 1 12 18 1 19 12 -2 13 14 1 15 17 1 16 19 1 17 19 1 18 19 1', '19 21 H 17.94 -8.34 C 14.31 -12.80 C 16.71 -7.14 C 19.74 -12.45 O 16.65 -15.66 O 14.31 -15.61 C 16.71 -12.80 C 15.49 -9.26 C 15.49 -10.67 C 19.30 -8.83 C 20.14 -9.97 O 18.23 -12.22 C 15.49 -13.50 C 15.49 -14.93 C 16.71 -8.55 C 16.71 -11.38 C 17.94 -9.26 C 19.30 -11.11 C 17.94 -10.67 17 1 -2 2 13 1 15 3 -1 18 4 -1 5 14 2 6 14 1 7 13 2 16 7 -2 8 9 1 8 15 1 9 16 1 10 11 1 10 17 1 11 18 1 12 18 1 19 12 -2 13 14 1 15 17 1 16 19 1 17 19 1 18 19 1', '19 21 H 17.94 -8.34 C:13 14.31 -12.80 C:14 16.71 -7.14 C:16 19.74 -12.45 O 16.65 -15.66 O 14.31 -15.61 C:144 16.71 -12.80 C:28 15.49 -9.26 C:24 15.49 -10.67 C:25 19.30 -8.83 C:33 20.14 -9.97 O 18.23 -12.22 C:129 15.49 -13.50 C:174 15.49 -14.93 C:33 16.71 -8.55 C:35 16.71 -11.38 C:41 17.94 -9.26 C:72 19.30 -11.11 C:71 17.94 -10.67 17 1 -2 2 13 1 15 3 -1 18 4 -1 5 14 2 6 14 1 7 13 2 16 7 -2 8 9 1 8 15 1 9 16 1 10 11 1 10 17 1 11 18 1 12 18 1 19 12 -2 13 14 1 15 17 1 16 19 1 17 19 1 18 19 1', 'C15H22O3', 250.167, 'C', 'pm02_661_2', 4282, '', '', '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
(17194, '', 'Methyl (-)-3β,4β-epoxyvalerenate', 'Terpenoids', 'Sesquiterpenoids', 'Valerenanes', '[H][C@:1]13[CH2:2][CH2:3][C@:4]2([CH3:15])O[C@:5]12[C@H:6]([CH:7]=[C:11]([CH3:12])[C:13](=O)O[CH3:13001])[CH2:8][CH2:9][C@H:10]3[CH3:14]', '[H][C@]13CC[C@]2(C)O[C@]12[C@H](C=C(C)C(=O)OC)CC[C@H]3C', '[H][C@:41]13[CH2:24][CH2:33][C@:72]2([CH3:16])O[C@:71]12[C@H:35]([CH:142]=[C:129]([CH3:13])[C:169](=O)O[CH3:52])[CH2:25][CH2:28][C@H:33]3[CH3:14]', '20 22 H 17.94 -7.69 C:13001 14.34 -16.39 C:12 14.34 -12.16 C:14 16.70 -6.49 C:15 19.75 -11.81 O 16.64 -14.98 C:7 16.70 -12.16 C:9 15.48 -8.61 C:8 15.48 -10.02 C:2 19.31 -8.18 C:3 20.15 -9.32 O 14.34 -14.98 O 18.23 -11.58 C:11 15.48 -12.87 C:13 15.48 -14.30 C:10 16.70 -7.90 C:6 16.70 -10.73 C:1 17.94 -8.61 C:4 19.31 -10.46 C:5 17.94 -10.02 18 1 -2 2 12 1 3 14 1 16 4 -1 19 5 -1 6 15 2 7 14 2 17 7 -2 8 9 1 8 16 1 9 17 1 10 11 1 10 18 1 11 19 1 12 15 1 13 19 1 20 13 -2 14 15 1 16 18 1 17 20 1 18 20 1 19 20 1', '20 22 H 17.94 -7.69 C 14.34 -16.39 C 14.34 -12.16 C 16.70 -6.49 C 19.75 -11.81 O 16.64 -14.98 C 16.70 -12.16 C 15.48 -8.61 C 15.48 -10.02 C 19.31 -8.18 C 20.15 -9.32 O 14.34 -14.98 O 18.23 -11.58 C 15.48 -12.87 C 15.48 -14.30 C 16.70 -7.90 C 16.70 -10.73 C 17.94 -8.61 C 19.31 -10.46 C 17.94 -10.02 18 1 -2 2 12 1 3 14 1 16 4 -1 19 5 -1 6 15 2 7 14 2 17 7 -2 8 9 1 8 16 1 9 17 1 10 11 1 10 18 1 11 19 1 12 15 1 13 19 1 20 13 -2 14 15 1 16 18 1 17 20 1 18 20 1 19 20 1', '20 22 H 17.94 -7.69 C:52 14.34 -16.39 C:13 14.34 -12.16 C:14 16.70 -6.49 C:16 19.75 -11.81 O 16.64 -14.98 C:142 16.70 -12.16 C:28 15.48 -8.61 C:25 15.48 -10.02 C:24 19.31 -8.18 C:33 20.15 -9.32 O 14.34 -14.98 O 18.23 -11.58 C:129 15.48 -12.87 C:169 15.48 -14.30 C:33 16.70 -7.90 C:35 16.70 -10.73 C:41 17.94 -8.61 C:72 19.31 -10.46 C:71 17.94 -10.02 18 1 -2 2 12 1 3 14 1 16 4 -1 19 5 -1 6 15 2 7 14 2 17 7 -2 8 9 1 8 16 1 9 17 1 10 11 1 10 18 1 11 19 1 12 15 1 13 19 1 20 13 -2 14 15 1 16 18 1 17 20 1 18 20 1 19 20 1', 'C16H24O3', 264.177, 'C', 'pm02_661_4', 4282, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(17216, 'Salvileucalin B', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', 'O=[C:17]2O[C@H:12]([c:13]1[cH:14][cH:15]o[cH:16]1)[C:11]5=[C:8]2[CH:7]=[CH:6][C@:10]46[CH2:1][C@H:2]7[CH:3]=[C:4]3[C:18](=O)O[CH2:19][C:5]34[C@:9]56[CH2:20]7', 'O=C2O[C@H](c1ccoc1)C5=C2C=C[C@]46C[C@H]7C=C3C(=O)OCC34[C@]56C7', 'O=[C:170]2O[C@H:76]([c:119]1[cH:108][cH:145]o[cH:142]1)[C:154]5=[C:123]2[CH:118]=[CH:126][C@:42]46[CH2:30][C@H:31]7[CH:134]=[C:124]3[C:168](=O)O[CH2:66][C:26]34[C@:37]56[CH2:27]7', '25 31 O 21.80 -11.28 O 12.70 -15.09 C:7 19.48 -13.23 C:6 18.32 -13.91 C:3 14.21 -12.56 C:15 15.81 -7.81 C:14 16.36 -9.05 C:16 17.99 -7.58 C:19 16.23 -15.43 C:1 15.71 -12.77 C:20 16.11 -11.06 O 14.99 -15.96 O 19.94 -9.78 O 16.81 -6.91 C:17 20.48 -11.00 C:18 14.10 -14.95 C:8 19.48 -11.90 C:4 14.79 -13.77 C:11 18.32 -11.22 C:13 17.71 -8.90 C:2 14.79 -11.36 C:12 18.60 -9.91 C:10 17.16 -13.23 C:5 16.11 -14.09 C:9 17.16 -11.90 1 15 2 2 16 2 3 4 2 3 17 1 4 23 1 5 18 2 5 21 1 6 7 2 6 14 1 7 20 1 8 14 1 8 20 2 9 12 1 9 24 1 21 10 -1 23 10 -1 11 21 1 11 25 1 12 16 1 13 15 1 13 22 1 15 17 1 16 18 1 17 19 2 18 24 1 19 22 1 19 25 1 22 20 -1 23 24 1 23 25 1 25 24 -2', '25 31 O 21.80 -11.28 O 12.70 -15.09 C 19.48 -13.23 C 18.32 -13.91 C 14.21 -12.56 C 15.81 -7.81 C 16.36 -9.05 C 17.99 -7.58 C 16.23 -15.43 C 15.71 -12.77 C 16.11 -11.06 O 14.99 -15.96 O 19.94 -9.78 O 16.81 -6.91 C 20.48 -11.00 C 14.10 -14.95 C 19.48 -11.90 C 14.79 -13.77 C 18.32 -11.22 C 17.71 -8.90 C 14.79 -11.36 C 18.60 -9.91 C 17.16 -13.23 C 16.11 -14.09 C 17.16 -11.90 1 15 2 2 16 2 3 4 2 3 17 1 4 23 1 5 18 2 5 21 1 6 7 2 6 14 1 7 20 1 8 14 1 8 20 2 9 12 1 9 24 1 21 10 -1 23 10 -1 11 21 1 11 25 1 12 16 1 13 15 1 13 22 1 15 17 1 16 18 1 17 19 2 18 24 1 19 22 1 19 25 1 22 20 -1 23 24 1 23 25 1 25 24 -2', '25 31 O 21.80 -11.28 O 12.70 -15.09 C:118 19.48 -13.23 C:126 18.32 -13.91 C:134 14.21 -12.56 C:145 15.81 -7.81 C:108 16.36 -9.05 C:142 17.99 -7.58 C:66 16.23 -15.43 C:30 15.71 -12.77 C:27 16.11 -11.06 O 14.99 -15.96 O 19.94 -9.78 O 16.81 -6.91 C:170 20.48 -11.00 C:168 14.10 -14.95 C:123 19.48 -11.90 C:124 14.79 -13.77 C:154 18.32 -11.22 C:119 17.71 -8.90 C:31 14.79 -11.36 C:76 18.60 -9.91 C:42 17.16 -13.23 C:26 16.11 -14.09 C:37 17.16 -11.90 1 15 2 2 16 2 3 4 2 3 17 1 4 23 1 5 18 2 5 21 1 6 7 2 6 14 1 7 20 1 8 14 1 8 20 2 9 12 1 9 24 1 21 10 -1 23 10 -1 11 21 1 11 25 1 12 16 1 13 15 1 13 22 1 15 17 1 16 18 1 17 19 2 18 24 1 19 22 1 19 25 1 22 20 -1 23 24 1 23 25 1 25 24 -2', 'C20H14O5', 334.211, 'C', 'ol08_4429_2', 3751, '', '', '1', 1, NULL, NULL),
(17220, 'Honulactone F', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:14]25[CH2:15][CH2:16][C:17]1=[C:18]([C:25](=O)O[C@@H:24]1[CH3:26])[C@@:13]2([CH3:23])[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003](O)[CH2:12004][CH3:12005])[CH2:11][C@:9]6([H])[C@@:10]4([CH3:22])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH2:19][C@@H:20]3[CH3:27])[C@:5]4([H])[CH2:6][CH2:7][C@@:8]56[CH3:21]', '[H][C@@]25CCC1=C(C(=O)O[C@@H]1C)[C@@]2(C)[C@@H](OC(=O)CC(O)CC)C[C@]6([H])[C@@]4(C)CCC[C@@]3(C[C@@H]3C)[C@]4([H])CC[C@@]56C', '[H][C@@:51]25[CH2:17][CH2:24][C:164]1=[C:133]([C:171](=O)O[C@@H:78]1[CH3:19])[C@@:38]2([CH3:21])[C@@H:75](O[C:171](=O)[CH2:42][CH:69](O)[CH2:29][CH3:10])[CH2:21][C@:51]6([H])[C@@:37]4([CH3:14])[CH2:40][CH2:21][CH2:33][C@@:23]3([CH2:14][C@@H:13]3[CH3:13])[C@:50]4([H])[CH2:17][CH2:40][C@@:38]56[CH3:17]', '40 45 H 18.41 -12.87 H 14.63 -15.10 H 15.87 -12.87 C:12005 11.19 -7.45 C:26 23.26 -9.75 C:27 11.44 -16.71 C:22 14.63 -11.12 C:21 17.16 -11.19 C:23 18.41 -8.99 O 16.00 -6.19 O 18.99 -7.27 O 13.61 -6.13 C:12004 12.38 -8.19 C:2 12.09 -12.61 C:16 20.85 -11.85 C:1 13.36 -11.85 C:15 19.62 -12.54 C:3 12.09 -14.07 C:6 15.87 -14.80 C:7 17.16 -14.07 C:12002 14.79 -8.25 C:11 15.87 -10.39 C:19 14.06 -16.01 O 21.32 -8.19 O 17.16 -8.30 C:12001 16.00 -7.59 C:25 19.92 -8.30 C:17 20.85 -10.39 C:18 19.62 -9.68 C:24 21.89 -9.45 C:20 12.66 -16.01 C:12003 13.61 -7.53 C:12 17.16 -9.68 C:14 18.41 -11.85 C:5 14.63 -14.07 C:9 15.87 -11.85 C:10 14.63 -12.61 C:8 17.16 -12.61 C:13 18.41 -10.39 C:4 13.36 -14.80 34 1 -2 35 2 -2 36 3 -2 4 13 1 30 5 -2 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 26 2 11 27 2 12 32 1 13 32 1 14 16 1 14 18 1 15 17 1 15 28 1 16 37 1 17 34 1 18 40 1 19 20 1 19 35 1 20 38 1 21 26 1 21 32 1 22 33 1 22 36 1 23 31 1 40 23 -2 24 27 1 24 30 1 25 26 1 33 25 -2 27 29 1 28 29 2 28 30 1 29 39 1 31 40 1 33 39 1 34 38 1 34 39 1 35 37 1 35 40 1 36 37 1 36 38 1', '40 45 H 18.41 -12.87 H 14.63 -15.10 H 15.87 -12.87 C 11.19 -7.45 C 23.26 -9.75 C 11.44 -16.71 C 14.63 -11.12 C 17.16 -11.19 C 18.41 -8.99 O 16.00 -6.19 O 18.99 -7.27 O 13.61 -6.13 C 12.38 -8.19 C 12.09 -12.61 C 20.85 -11.85 C 13.36 -11.85 C 19.62 -12.54 C 12.09 -14.07 C 15.87 -14.80 C 17.16 -14.07 C 14.79 -8.25 C 15.87 -10.39 C 14.06 -16.01 O 21.32 -8.19 O 17.16 -8.30 C 16.00 -7.59 C 19.92 -8.30 C 20.85 -10.39 C 19.62 -9.68 C 21.89 -9.45 C 12.66 -16.01 C 13.61 -7.53 C 17.16 -9.68 C 18.41 -11.85 C 14.63 -14.07 C 15.87 -11.85 C 14.63 -12.61 C 17.16 -12.61 C 18.41 -10.39 C 13.36 -14.80 34 1 -2 35 2 -2 36 3 -2 4 13 1 30 5 -2 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 26 2 11 27 2 12 32 1 13 32 1 14 16 1 14 18 1 15 17 1 15 28 1 16 37 1 17 34 1 18 40 1 19 20 1 19 35 1 20 38 1 21 26 1 21 32 1 22 33 1 22 36 1 23 31 1 40 23 -2 24 27 1 24 30 1 25 26 1 33 25 -2 27 29 1 28 29 2 28 30 1 29 39 1 31 40 1 33 39 1 34 38 1 34 39 1 35 37 1 35 40 1 36 37 1 36 38 1', '40 45 H 18.41 -12.87 H 14.63 -15.10 H 15.87 -12.87 C:10 11.19 -7.45 C:19 23.26 -9.75 C:13 11.44 -16.71 C:14 14.63 -11.12 C:17 17.16 -11.19 C:21 18.41 -8.99 O 16.00 -6.19 O 18.99 -7.27 O 13.61 -6.13 C:29 12.38 -8.19 C:21 12.09 -12.61 C:24 20.85 -11.85 C:40 13.36 -11.85 C:17 19.62 -12.54 C:33 12.09 -14.07 C:17 15.87 -14.80 C:40 17.16 -14.07 C:42 14.79 -8.25 C:21 15.87 -10.39 C:14 14.06 -16.01 O 21.32 -8.19 O 17.16 -8.30 C:171 16.00 -7.59 C:171 19.92 -8.30 C:164 20.85 -10.39 C:133 19.62 -9.68 C:78 21.89 -9.45 C:13 12.66 -16.01 C:69 13.61 -7.53 C:75 17.16 -9.68 C:51 18.41 -11.85 C:50 14.63 -14.07 C:51 15.87 -11.85 C:37 14.63 -12.61 C:38 17.16 -12.61 C:38 18.41 -10.39 C:23 13.36 -14.80 34 1 -2 35 2 -2 36 3 -2 4 13 1 30 5 -2 31 6 -2 37 7 -1 38 8 -1 39 9 -1 10 26 2 11 27 2 12 32 1 13 32 1 14 16 1 14 18 1 15 17 1 15 28 1 16 37 1 17 34 1 18 40 1 19 20 1 19 35 1 20 38 1 21 26 1 21 32 1 22 33 1 22 36 1 23 31 1 40 23 -2 24 27 1 24 30 1 25 26 1 33 25 -2 27 29 1 28 29 2 28 30 1 29 39 1 31 40 1 33 39 1 34 38 1 34 39 1 35 37 1 35 40 1 36 37 1 36 38 1', 'C32H48O5', 512.363, 'C', 'joc00_6837_6', 3947, '', '', '1', 47, 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
(17233, 'Norselic acid B', '', 'Steroids', 'Stigmastanes', '', '[H][C@@:5]34[CH2:6][CH2:7][C@:8]1([H])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([C:18](=O)O)[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@:24](O)([CH2:24001][CH3:24002])[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@@:14]12[H])[C@@:10]3([CH3:19])[CH:1]=[CH:2][C:3](=O)[CH2:4]4', '[H][C@@]34CC[C@]1([H])[C@]([H])(CC[C@]2(C(=O)O)[C@@]([H])([C@H](C)CC[C@](O)(CC)C(=C)C)CC[C@@]12[H])[C@@]3(C)C=CC(=O)C4', '[H][C@@:45]34[CH2:28][CH2:31][C@:38]1([H])[C@:50]([H])([CH2:23][CH2:38][C@:57]2([C:178](=O)O)[C@@:57]([H])([C@H:37]([CH3:19])[CH2:29][CH2:36][C@:79](O)([CH2:33][CH3:8])[C:148](=[CH2:111])[CH3:20])[CH2:29][CH2:23][C@@:57]12[H])[C@@:39]3([CH3:13])[CH:158]=[CH:128][C:200](=O)[CH2:41]4', '38 41 H 13.15 -15.59 H 18.03 -11.44 H 15.72 -11.96 H 14.46 -13.38 H 17.03 -13.38 C:26 24.98 -10.31 C:24002 23.35 -7.21 C:27 23.10 -11.96 C:21 17.83 -7.98 C:19 13.15 -11.60 O 9.47 -15.32 O 17.03 -8.03 O 15.72 -8.91 O 22.32 -8.15 C:2 10.64 -13.07 C:1 11.89 -12.31 C:24001 23.63 -8.59 C:22 20.22 -8.78 C:6 14.46 -15.28 C:16 19.18 -11.60 C:7 15.72 -14.57 C:15 18.35 -12.74 C:11 14.46 -10.88 C:23 21.18 -9.84 C:12 15.72 -10.15 C:4 11.89 -15.28 C:25 23.54 -10.63 C:3 10.64 -14.57 C:18 17.03 -9.44 C:20 18.79 -9.07 C:5 13.15 -14.57 C:17 18.35 -10.43 C:8 15.72 -13.07 C:9 14.46 -12.31 C:14 17.03 -12.31 C:10 13.15 -13.07 C:24 22.59 -9.54 C:13 17.03 -10.88 31 1 -2 32 2 -2 33 3 -1 34 4 -2 35 5 -2 6 27 2 7 17 1 8 27 1 30 9 -2 36 10 -1 11 28 2 12 29 2 13 29 1 37 14 -1 15 16 2 15 28 1 16 36 1 37 17 -2 18 24 1 18 30 1 19 21 1 19 31 1 20 22 1 20 32 1 21 33 1 22 35 1 23 25 1 23 34 1 24 37 1 25 38 1 26 28 1 26 31 1 27 37 1 38 29 -1 30 32 1 31 36 1 32 38 1 33 34 1 33 35 1 34 36 1 35 38 1', '38 41 H 13.15 -15.59 H 18.03 -11.44 H 15.72 -11.96 H 14.46 -13.38 H 17.03 -13.38 C 24.98 -10.31 C 23.35 -7.21 C 23.10 -11.96 C 17.83 -7.98 C 13.15 -11.60 O 9.47 -15.32 O 17.03 -8.03 O 15.72 -8.91 O 22.32 -8.15 C 10.64 -13.07 C 11.89 -12.31 C 23.63 -8.59 C 20.22 -8.78 C 14.46 -15.28 C 19.18 -11.60 C 15.72 -14.57 C 18.35 -12.74 C 14.46 -10.88 C 21.18 -9.84 C 15.72 -10.15 C 11.89 -15.28 C 23.54 -10.63 C 10.64 -14.57 C 17.03 -9.44 C 18.79 -9.07 C 13.15 -14.57 C 18.35 -10.43 C 15.72 -13.07 C 14.46 -12.31 C 17.03 -12.31 C 13.15 -13.07 C 22.59 -9.54 C 17.03 -10.88 31 1 -2 32 2 -2 33 3 -1 34 4 -2 35 5 -2 6 27 2 7 17 1 8 27 1 30 9 -2 36 10 -1 11 28 2 12 29 2 13 29 1 37 14 -1 15 16 2 15 28 1 16 36 1 37 17 -2 18 24 1 18 30 1 19 21 1 19 31 1 20 22 1 20 32 1 21 33 1 22 35 1 23 25 1 23 34 1 24 37 1 25 38 1 26 28 1 26 31 1 27 37 1 38 29 -1 30 32 1 31 36 1 32 38 1 33 34 1 33 35 1 34 36 1 35 38 1', '38 41 H 13.15 -15.59 H 18.03 -11.44 H 15.72 -11.96 H 14.46 -13.38 H 17.03 -13.38 C:111 24.98 -10.31 C:8 23.35 -7.21 C:20 23.10 -11.96 C:19 17.83 -7.98 C:13 13.15 -11.60 O 9.47 -15.32 O 17.03 -8.03 O 15.72 -8.91 O 22.32 -8.15 C:128 10.64 -13.07 C:158 11.89 -12.31 C:33 23.63 -8.59 C:29 20.22 -8.78 C:28 14.46 -15.28 C:29 19.18 -11.60 C:31 15.72 -14.57 C:23 18.35 -12.74 C:23 14.46 -10.88 C:36 21.18 -9.84 C:38 15.72 -10.15 C:41 11.89 -15.28 C:148 23.54 -10.63 C:200 10.64 -14.57 C:178 17.03 -9.44 C:37 18.79 -9.07 C:45 13.15 -14.57 C:57 18.35 -10.43 C:38 15.72 -13.07 C:50 14.46 -12.31 C:57 17.03 -12.31 C:39 13.15 -13.07 C:79 22.59 -9.54 C:57 17.03 -10.88 31 1 -2 32 2 -2 33 3 -1 34 4 -2 35 5 -2 6 27 2 7 17 1 8 27 1 30 9 -2 36 10 -1 11 28 2 12 29 2 13 29 1 37 14 -1 15 16 2 15 28 1 16 36 1 37 17 -2 18 24 1 18 30 1 19 21 1 19 31 1 20 22 1 20 32 1 21 33 1 22 35 1 23 25 1 23 34 1 24 37 1 25 38 1 26 28 1 26 31 1 27 37 1 38 29 -1 30 32 1 31 36 1 32 38 1 33 34 1 33 35 1 34 36 1 35 38 1', 'C29H44O4', 456.348, 'C', 'np09_1842_2', 4309, '', '', '1', 48, 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
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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