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
(1667, 'Xenicin', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][CH:8](O)[CH2:9][C:1](=[CH2:19])[C@:2]1([H])[CH2:18]O[CH:17]=[C:10]2[CH:11](O)[CH:12](O)[CH:13]=[C:14]([CH3:16])[CH3:15]', '[H][C@]12CCC(C)=CC(O)CC(=C)[C@]1([H])COC=C2C(O)C(O)C=C(C)C', '[H][C@:37]12[CH2:31][CH2:41][C:134]([CH3:18])=[CH:126][CH:71](O)[CH2:43][C:147](=[CH2:116])[C@:43]1([H])[CH2:92]O[CH:143]=[C:114]2[CH:76](O)[CH:70](O)[CH:120]=[C:141]([CH3:26])[CH3:19]', '26 27 H 15.59 -11.46 H 15.59 -14.97 C:19 15.79 -16.21 C:15 10.66 -8.21 C:16 11.88 -6.07 C:20 20.48 -11.40 O 20.48 -14.92 O 11.90 -10.33 O 15.55 -9.62 C:17 13.11 -12.48 C:7 18.42 -13.18 C:13 13.11 -8.21 C:5 17.91 -11.14 C:4 16.51 -11.38 C:9 17.91 -15.25 C:18 14.35 -14.60 O 13.11 -13.91 C:14 11.88 -7.48 C:6 19.14 -11.86 C:1 16.51 -14.98 C:10 14.35 -11.76 C:8 19.14 -14.51 C:12 13.11 -9.63 C:11 14.35 -10.33 C:3 15.59 -12.48 C:2 15.59 -13.90 25 1 -2 26 2 -1 3 20 2 4 18 1 5 18 1 6 19 1 7 22 1 8 23 1 9 24 1 10 17 1 10 21 2 11 19 2 11 22 1 12 18 2 12 23 1 13 14 1 13 19 1 14 25 1 15 20 1 15 22 1 16 17 1 16 26 1 20 26 1 21 24 1 21 25 1 23 24 1 25 26 1', '26 27 H 15.59 -11.46 H 15.59 -14.97 C 15.79 -16.21 C 10.66 -8.21 C 11.88 -6.07 C 20.48 -11.40 O 20.48 -14.92 O 11.90 -10.33 O 15.55 -9.62 C 13.11 -12.48 C 18.42 -13.18 C 13.11 -8.21 C 17.91 -11.14 C 16.51 -11.38 C 17.91 -15.25 C 14.35 -14.60 O 13.11 -13.91 C 11.88 -7.48 C 19.14 -11.86 C 16.51 -14.98 C 14.35 -11.76 C 19.14 -14.51 C 13.11 -9.63 C 14.35 -10.33 C 15.59 -12.48 C 15.59 -13.90 25 1 -2 26 2 -1 3 20 2 4 18 1 5 18 1 6 19 1 7 22 1 8 23 1 9 24 1 10 17 1 10 21 2 11 19 2 11 22 1 12 18 2 12 23 1 13 14 1 13 19 1 14 25 1 15 20 1 15 22 1 16 17 1 16 26 1 20 26 1 21 24 1 21 25 1 23 24 1 25 26 1', '26 27 H 15.59 -11.46 H 15.59 -14.97 C:116 15.79 -16.21 C:19 10.66 -8.21 C:26 11.88 -6.07 C:18 20.48 -11.40 O 20.48 -14.92 O 11.90 -10.33 O 15.55 -9.62 C:143 13.11 -12.48 C:126 18.42 -13.18 C:120 13.11 -8.21 C:41 17.91 -11.14 C:31 16.51 -11.38 C:43 17.91 -15.25 C:92 14.35 -14.60 O 13.11 -13.91 C:141 11.88 -7.48 C:134 19.14 -11.86 C:147 16.51 -14.98 C:114 14.35 -11.76 C:71 19.14 -14.51 C:70 13.11 -9.63 C:76 14.35 -10.33 C:37 15.59 -12.48 C:43 15.59 -13.90 25 1 -2 26 2 -1 3 20 2 4 18 1 5 18 1 6 19 1 7 22 1 8 23 1 9 24 1 10 17 1 10 21 2 11 19 2 11 22 1 12 18 2 12 23 1 13 14 1 13 19 1 14 25 1 15 20 1 15 22 1 16 17 1 16 26 1 20 26 1 21 24 1 21 25 1 23 24 1 25 26 1', 'C20H30O4', 334.227, 'C', 'np95_1581_', 1938, '', '', '1', 1, NULL, NULL),
(1668, 'Zahavins A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][CH2:8][CH2:9][C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O[C:18001]([CH3:18002])=O)O[CH:17]=[C:10]2[CH:11]([CH2:12][CH:13](O[C:13001]([CH3:13002])=O)[C:14](=[CH2:16])[CH3:15])O[C:11001]([CH3:11002])=O', '[H][C@]12CCC(C)=CCCC(=C)[C@]1([H])[C@@H](OC(C)=O)OC=C2C(CC(OC(C)=O)C(=C)C)OC(C)=O', '[H][C@:38]12[CH2:30][CH2:40][C:136]([CH3:17])=[CH:125][CH2:25][CH2:35][C:150](=[CH2:113])[C@:50]1([H])[C@@H:92](O[C:170]([CH3:21])=O)O[CH:137]=[C:117]2[CH:69]([CH2:39][CH:73](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[CH3:18])O[C:170]([CH3:21])=O', '35 36 H 15.58 -10.84 H 15.58 -14.36 C:16 11.86 -5.46 C:19 15.78 -15.59 C:15 10.65 -7.61 C:13002 15.56 -4.83 C:11002 17.95 -8.94 C:18002 13.12 -17.49 C:20 20.47 -10.78 O 13.13 -4.80 O 16.74 -6.87 O 11.90 -15.39 C:7 18.39 -12.58 C:17 13.10 -11.87 C:8 19.12 -13.90 C:9 17.89 -14.63 C:5 17.89 -10.53 C:4 16.51 -10.77 C:12 13.10 -9.02 O 13.10 -13.30 O 14.32 -6.91 O 15.54 -9.01 O 14.34 -15.39 C:14 11.86 -6.87 C:13001 14.34 -5.51 C:11001 16.73 -8.27 C:18001 13.12 -16.09 C:6 19.12 -11.25 C:1 16.51 -14.37 C:10 14.34 -11.15 C:13 13.10 -7.61 C:11 14.34 -9.71 C:18 14.34 -13.99 C:3 15.58 -11.87 C:2 15.58 -13.29 34 1 -2 35 2 -1 3 24 2 4 29 2 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 10 25 2 11 26 2 12 27 2 13 15 1 13 28 2 14 20 1 14 30 2 15 16 1 16 29 1 17 18 1 17 28 1 18 34 1 19 31 1 19 32 1 20 33 1 21 25 1 21 31 1 22 26 1 22 32 1 23 27 1 33 23 -1 24 31 1 29 35 1 30 32 1 30 34 1 33 35 1 34 35 1', '35 36 H 15.58 -10.84 H 15.58 -14.36 C 11.86 -5.46 C 15.78 -15.59 C 10.65 -7.61 C 15.56 -4.83 C 17.95 -8.94 C 13.12 -17.49 C 20.47 -10.78 O 13.13 -4.80 O 16.74 -6.87 O 11.90 -15.39 C 18.39 -12.58 C 13.10 -11.87 C 19.12 -13.90 C 17.89 -14.63 C 17.89 -10.53 C 16.51 -10.77 C 13.10 -9.02 O 13.10 -13.30 O 14.32 -6.91 O 15.54 -9.01 O 14.34 -15.39 C 11.86 -6.87 C 14.34 -5.51 C 16.73 -8.27 C 13.12 -16.09 C 19.12 -11.25 C 16.51 -14.37 C 14.34 -11.15 C 13.10 -7.61 C 14.34 -9.71 C 14.34 -13.99 C 15.58 -11.87 C 15.58 -13.29 34 1 -2 35 2 -1 3 24 2 4 29 2 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 10 25 2 11 26 2 12 27 2 13 15 1 13 28 2 14 20 1 14 30 2 15 16 1 16 29 1 17 18 1 17 28 1 18 34 1 19 31 1 19 32 1 20 33 1 21 25 1 21 31 1 22 26 1 22 32 1 23 27 1 33 23 -1 24 31 1 29 35 1 30 32 1 30 34 1 33 35 1 34 35 1', '35 36 H 15.58 -10.84 H 15.58 -14.36 C:113 11.86 -5.46 C:113 15.78 -15.59 C:18 10.65 -7.61 C:21 15.56 -4.83 C:21 17.95 -8.94 C:21 13.12 -17.49 C:17 20.47 -10.78 O 13.13 -4.80 O 16.74 -6.87 O 11.90 -15.39 C:125 18.39 -12.58 C:137 13.10 -11.87 C:25 19.12 -13.90 C:35 17.89 -14.63 C:40 17.89 -10.53 C:30 16.51 -10.77 C:39 13.10 -9.02 O 13.10 -13.30 O 14.32 -6.91 O 15.54 -9.01 O 14.34 -15.39 C:143 11.86 -6.87 C:170 14.34 -5.51 C:170 16.73 -8.27 C:170 13.12 -16.09 C:136 19.12 -11.25 C:150 16.51 -14.37 C:117 14.34 -11.15 C:73 13.10 -7.61 C:69 14.34 -9.71 C:92 14.34 -13.99 C:38 15.58 -11.87 C:50 15.58 -13.29 34 1 -2 35 2 -1 3 24 2 4 29 2 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 10 25 2 11 26 2 12 27 2 13 15 1 13 28 2 14 20 1 14 30 2 15 16 1 16 29 1 17 18 1 17 28 1 18 34 1 19 31 1 19 32 1 20 33 1 21 25 1 21 31 1 22 26 1 22 32 1 23 27 1 33 23 -1 24 31 1 29 35 1 30 32 1 30 34 1 33 35 1 34 35 1', 'C26H36O7', 460.29, 'C', 'np95_1581_2', 1938, '', '', '1', 1, NULL, NULL),
(1669, 'Zahavins B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][CH2:8][C@@H:9](O)[C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O[C:18001]([CH3:18002])=O)O[CH:17]=[C:10]2[CH:11]([CH2:12][CH:13](O[C:13001]([CH3:13002])=O)[C:14](=[CH2:16])[CH3:15])O[C:11001]([CH3:11002])=O', '[H][C@]12CCC(C)=CC[C@@H](O)C(=C)[C@]1([H])[C@@H](OC(C)=O)OC=C2C(CC(OC(C)=O)C(=C)C)OC(C)=O', '[H][C@:38]12[CH2:30][CH2:41][C:137]([CH3:17])=[CH:121][CH2:35][C@@H:76](O)[C:152](=[CH2:113])[C@:43]1([H])[C@@H:93](O[C:170]([CH3:21])=O)O[CH:137]=[C:117]2[CH:69]([CH2:39][CH:73](O[C:169]([CH3:21])=O)[C:143](=[CH2:113])[CH3:18])O[C:170]([CH3:21])=O', '36 37 H 15.58 -10.85 H 15.58 -14.36 C:16 11.85 -5.45 C:19 15.78 -15.59 C:15 10.64 -7.60 C:13002 15.56 -4.81 C:11002 18.06 -9.04 C:18002 13.11 -17.48 C:20 20.46 -10.79 O 13.12 -4.78 O 16.81 -7.01 O 11.89 -15.39 O 18.08 -16.00 C:7 18.38 -12.57 C:17 13.09 -11.86 C:8 19.11 -13.90 C:5 17.88 -10.53 C:4 16.50 -10.77 C:12 13.09 -9.02 O 13.09 -13.30 O 14.32 -6.91 O 15.54 -9.01 O 14.34 -15.39 C:14 11.85 -6.87 C:13001 14.33 -5.50 C:11001 16.80 -8.41 C:18001 13.11 -16.09 C:6 19.11 -11.25 C:1 16.50 -14.37 C:10 14.34 -11.15 C:9 17.88 -14.63 C:13 13.09 -7.60 C:11 14.34 -9.72 C:18 14.34 -13.99 C:3 15.58 -11.86 C:2 15.58 -13.29 35 1 -2 36 2 -1 3 24 2 4 29 2 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 10 25 2 11 26 2 12 27 2 31 13 -1 14 16 1 14 28 2 15 20 1 15 30 2 16 31 1 17 18 1 17 28 1 18 35 1 19 32 1 19 33 1 20 34 1 21 25 1 21 32 1 22 26 1 22 33 1 23 27 1 34 23 -1 24 32 1 29 31 1 29 36 1 30 33 1 30 35 1 34 36 1 35 36 1', '36 37 H 15.58 -10.85 H 15.58 -14.36 C 11.85 -5.45 C 15.78 -15.59 C 10.64 -7.60 C 15.56 -4.81 C 18.06 -9.04 C 13.11 -17.48 C 20.46 -10.79 O 13.12 -4.78 O 16.81 -7.01 O 11.89 -15.39 O 18.08 -16.00 C 18.38 -12.57 C 13.09 -11.86 C 19.11 -13.90 C 17.88 -10.53 C 16.50 -10.77 C 13.09 -9.02 O 13.09 -13.30 O 14.32 -6.91 O 15.54 -9.01 O 14.34 -15.39 C 11.85 -6.87 C 14.33 -5.50 C 16.80 -8.41 C 13.11 -16.09 C 19.11 -11.25 C 16.50 -14.37 C 14.34 -11.15 C 17.88 -14.63 C 13.09 -7.60 C 14.34 -9.72 C 14.34 -13.99 C 15.58 -11.86 C 15.58 -13.29 35 1 -2 36 2 -1 3 24 2 4 29 2 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 10 25 2 11 26 2 12 27 2 31 13 -1 14 16 1 14 28 2 15 20 1 15 30 2 16 31 1 17 18 1 17 28 1 18 35 1 19 32 1 19 33 1 20 34 1 21 25 1 21 32 1 22 26 1 22 33 1 23 27 1 34 23 -1 24 32 1 29 31 1 29 36 1 30 33 1 30 35 1 34 36 1 35 36 1', '36 37 H 15.58 -10.85 H 15.58 -14.36 C:113 11.85 -5.45 C:113 15.78 -15.59 C:18 10.64 -7.60 C:21 15.56 -4.81 C:21 18.06 -9.04 C:21 13.11 -17.48 C:17 20.46 -10.79 O 13.12 -4.78 O 16.81 -7.01 O 11.89 -15.39 O 18.08 -16.00 C:121 18.38 -12.57 C:137 13.09 -11.86 C:35 19.11 -13.90 C:41 17.88 -10.53 C:30 16.50 -10.77 C:39 13.09 -9.02 O 13.09 -13.30 O 14.32 -6.91 O 15.54 -9.01 O 14.34 -15.39 C:143 11.85 -6.87 C:169 14.33 -5.50 C:170 16.80 -8.41 C:170 13.11 -16.09 C:137 19.11 -11.25 C:152 16.50 -14.37 C:117 14.34 -11.15 C:76 17.88 -14.63 C:73 13.09 -7.60 C:69 14.34 -9.72 C:93 14.34 -13.99 C:38 15.58 -11.86 C:43 15.58 -13.29 35 1 -2 36 2 -1 3 24 2 4 29 2 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 10 25 2 11 26 2 12 27 2 31 13 -1 14 16 1 14 28 2 15 20 1 15 30 2 16 31 1 17 18 1 17 28 1 18 35 1 19 32 1 19 33 1 20 34 1 21 25 1 21 32 1 22 26 1 22 33 1 23 27 1 34 23 -1 24 32 1 29 31 1 29 36 1 30 33 1 30 35 1 34 36 1 35 36 1', 'C26H36O8', 476.289, 'C', 'np95_1581_3', 1938, '', '', '1', 1, NULL, NULL),
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(1686, 'Methyl botryolate', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@@:5]12[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@H:1]([C:10](=O)O[CH3:10001])[C@:9]1(O)[C@@:8]([CH3:14])([CH2:15]O)[CH2:7][C@:6]2([CH3:12])[CH3:13]', '[H][C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@H](C(=O)OC)[C@]1(O)[C@@](C)(CO)C[C@]2(C)C', '[H][C@@:64]12[C@@H:73](O[C:170]([CH3:22])=O)[CH2:39][C@@H:29]([CH3:21])[C@H:61]([C:173](=O)O[CH3:52])[C@:88]1(O)[C@@:50]([CH3:22])([CH2:68]O)[CH2:52][C@:37]2([CH3:36])[CH3:28]', '25 26 H 18.87 -11.83 C:10001 18.86 -5.07 C:4002 16.42 -14.95 C:11 15.20 -8.60 C:12 19.92 -12.53 C:13 21.26 -12.10 C:14 19.92 -7.49 O 15.20 -12.84 O 16.42 -6.48 O 22.61 -8.35 O 18.87 -7.89 C:15 21.26 -7.92 C:3 16.42 -10.72 C:7 21.05 -10.01 O 18.85 -6.47 O 17.64 -12.84 C:4001 16.42 -13.54 C:10 17.64 -7.18 C:2 16.42 -9.30 C:4 17.64 -11.42 C:1 17.64 -8.60 C:6 20.21 -11.15 C:8 20.21 -8.87 C:5 18.87 -10.72 C:9 18.87 -9.30 24 1 -1 2 15 1 3 17 1 19 4 -1 22 5 -1 22 6 -2 23 7 -2 8 17 2 9 18 2 10 12 1 25 11 -1 23 12 -1 13 19 1 13 20 1 14 22 1 14 23 1 15 18 1 16 17 1 20 16 -1 21 18 -2 19 21 1 20 24 1 21 25 1 22 24 1 23 25 1 24 25 1', '25 26 H 18.87 -11.83 C 18.86 -5.07 C 16.42 -14.95 C 15.20 -8.60 C 19.92 -12.53 C 21.26 -12.10 C 19.92 -7.49 O 15.20 -12.84 O 16.42 -6.48 O 22.61 -8.35 O 18.87 -7.89 C 21.26 -7.92 C 16.42 -10.72 C 21.05 -10.01 O 18.85 -6.47 O 17.64 -12.84 C 16.42 -13.54 C 17.64 -7.18 C 16.42 -9.30 C 17.64 -11.42 C 17.64 -8.60 C 20.21 -11.15 C 20.21 -8.87 C 18.87 -10.72 C 18.87 -9.30 24 1 -1 2 15 1 3 17 1 19 4 -1 22 5 -1 22 6 -2 23 7 -2 8 17 2 9 18 2 10 12 1 25 11 -1 23 12 -1 13 19 1 13 20 1 14 22 1 14 23 1 15 18 1 16 17 1 20 16 -1 21 18 -2 19 21 1 20 24 1 21 25 1 22 24 1 23 25 1 24 25 1', '25 26 H 18.87 -11.83 C:52 18.86 -5.07 C:22 16.42 -14.95 C:21 15.20 -8.60 C:36 19.92 -12.53 C:28 21.26 -12.10 C:22 19.92 -7.49 O 15.20 -12.84 O 16.42 -6.48 O 22.61 -8.35 O 18.87 -7.89 C:68 21.26 -7.92 C:39 16.42 -10.72 C:52 21.05 -10.01 O 18.85 -6.47 O 17.64 -12.84 C:170 16.42 -13.54 C:173 17.64 -7.18 C:29 16.42 -9.30 C:73 17.64 -11.42 C:61 17.64 -8.60 C:37 20.21 -11.15 C:50 20.21 -8.87 C:64 18.87 -10.72 C:88 18.87 -9.30 24 1 -1 2 15 1 3 17 1 19 4 -1 22 5 -1 22 6 -2 23 7 -2 8 17 2 9 18 2 10 12 1 25 11 -1 23 12 -1 13 19 1 13 20 1 14 22 1 14 23 1 15 18 1 16 17 1 20 16 -1 21 18 -2 19 21 1 20 24 1 21 25 1 22 24 1 23 25 1 24 25 1', 'C18H30O6', 342.197, 'C', 'coc_00_1261_12', 415, '', '', '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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(1688, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@@:5]12[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@H:1]([C:10](=O)O[CH3:10001])[C@:9]1(O)[C@@:8]([CH3:14])([C:15](=O)O[CH3:15001])[CH2:7][C@@:6]2([CH3:13])[CH3:12]', '[H][C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@H](C(=O)OC)[C@]1(O)[C@@](C)(C(=O)OC)C[C@@]2(C)C', '[H][C@@:9999]12[C@@H:9999](O[C:9999]([CH3:9999])=O)[CH2:9999][C@@H:9999]([CH3:9999])[C@H:9999]([C:9999](=O)O[CH3:9999])[C@:9999]1(O)[C@@:9999]([CH3:9999])([C:9999](=O)O[CH3:9999])[CH2:9999][C@@:9999]2([CH3:9999])[CH3:9999]', '27 28 H 18.87 -11.83 C:10001 18.86 -5.07 C:15001 22.00 -5.61 C:4002 16.42 -14.95 C:11 15.20 -8.60 C:13 21.26 -12.10 C:12 19.92 -12.53 C:14 19.92 -7.49 O 15.20 -12.84 O 16.42 -6.48 O 22.61 -8.35 O 18.87 -7.89 C:3 16.42 -10.72 C:7 21.05 -10.01 O 18.85 -6.47 O 20.96 -6.55 O 17.64 -12.84 C:4001 16.42 -13.54 C:10 17.64 -7.18 C:15 21.26 -7.92 C:2 16.42 -9.30 C:4 17.64 -11.42 C:1 17.64 -8.60 C:6 20.21 -11.15 C:8 20.21 -8.87 C:5 18.87 -10.72 C:9 18.87 -9.30 26 1 -1 2 15 1 3 16 1 4 18 1 21 5 -1 24 6 -2 24 7 -1 25 8 -2 9 18 2 10 19 2 11 20 2 27 12 -1 13 21 1 13 22 1 14 24 1 14 25 1 15 19 1 16 20 1 17 18 1 22 17 -1 23 19 -2 25 20 -1 21 23 1 22 26 1 23 27 1 24 26 1 25 27 1 26 27 1', '27 28 H 18.87 -11.83 C 18.86 -5.07 C 22.00 -5.61 C 16.42 -14.95 C 15.20 -8.60 C 21.26 -12.10 C 19.92 -12.53 C 19.92 -7.49 O 15.20 -12.84 O 16.42 -6.48 O 22.61 -8.35 O 18.87 -7.89 C 16.42 -10.72 C 21.05 -10.01 O 18.85 -6.47 O 20.96 -6.55 O 17.64 -12.84 C 16.42 -13.54 C 17.64 -7.18 C 21.26 -7.92 C 16.42 -9.30 C 17.64 -11.42 C 17.64 -8.60 C 20.21 -11.15 C 20.21 -8.87 C 18.87 -10.72 C 18.87 -9.30 26 1 -1 2 15 1 3 16 1 4 18 1 21 5 -1 24 6 -2 24 7 -1 25 8 -2 9 18 2 10 19 2 11 20 2 27 12 -1 13 21 1 13 22 1 14 24 1 14 25 1 15 19 1 16 20 1 17 18 1 22 17 -1 23 19 -2 25 20 -1 21 23 1 22 26 1 23 27 1 24 26 1 25 27 1 26 27 1', '27 28 H 18.87 -11.83 C 18.86 -5.07 C 22.00 -5.61 C 16.42 -14.95 C 15.20 -8.60 C 21.26 -12.10 C 19.92 -12.53 C 19.92 -7.49 O 15.20 -12.84 O 16.42 -6.48 O 22.61 -8.35 O 18.87 -7.89 C 16.42 -10.72 C 21.05 -10.01 O 18.85 -6.47 O 20.96 -6.55 O 17.64 -12.84 C 16.42 -13.54 C 17.64 -7.18 C 21.26 -7.92 C 16.42 -9.30 C 17.64 -11.42 C 17.64 -8.60 C 20.21 -11.15 C 20.21 -8.87 C 18.87 -10.72 C 18.87 -9.30 26 1 -1 2 15 1 3 16 1 4 18 1 21 5 -1 24 6 -2 24 7 -1 25 8 -2 9 18 2 10 19 2 11 20 2 27 12 -1 13 21 1 13 22 1 14 24 1 14 25 1 15 19 1 16 20 1 17 18 1 22 17 -1 23 19 -2 25 20 -1 21 23 1 22 26 1 23 27 1 24 26 1 25 27 1 26 27 1', 'C19H30O7', 370.207, '', 'coc_00_1261_14', 415, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1710, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@:5]13[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@@H:1]2[C@H:10](O)O[CH2:15][C@@:8]([CH3:14])([CH2:7][C@:6]1([CH3:12])[CH3:13])[C@@:9]23O', '[H][C@]13[C@@H](OC(C)=O)C[C@@H](C)[C@@H]2[C@H](O)OC[C@@](C)(C[C@]1(C)C)[C@@]23O', '[H][C@:60]13[C@@H:73](O[C:171]([CH3:21])=O)[CH2:40][C@@H:29]([CH3:20])[C@@H:55]2[C@H:92](O)O[CH2:68][C@@:46]([CH3:25])([CH2:50][C@:39]1([CH3:36])[CH3:27])[C@@:83]23O', '23 25 H 19.56 -11.16 C:4002 17.14 -14.27 C:11 15.93 -7.96 C:12 20.61 -11.86 C:13 21.95 -11.43 C:14 21.95 -7.28 O 15.93 -12.16 O 17.18 -5.79 O 19.56 -7.25 C:15 20.90 -6.62 C:3 17.14 -10.05 C:7 21.74 -9.35 O 19.69 -5.98 O 18.36 -12.16 C:4001 17.14 -12.87 C:2 17.14 -8.64 C:10 18.36 -6.54 C:4 18.36 -10.75 C:1 18.36 -7.96 C:6 20.91 -10.48 C:8 20.91 -8.23 C:5 19.56 -10.05 C:9 19.56 -8.64 22 1 -1 2 15 1 16 3 -1 20 4 -1 20 5 -2 21 6 -2 7 15 2 17 8 -2 23 9 -1 10 13 1 10 21 1 11 16 1 11 18 1 12 20 1 12 21 1 13 17 1 14 15 1 18 14 -1 16 19 1 19 17 -2 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 25 H 19.56 -11.16 C 17.14 -14.27 C 15.93 -7.96 C 20.61 -11.86 C 21.95 -11.43 C 21.95 -7.28 O 15.93 -12.16 O 17.18 -5.79 O 19.56 -7.25 C 20.90 -6.62 C 17.14 -10.05 C 21.74 -9.35 O 19.69 -5.98 O 18.36 -12.16 C 17.14 -12.87 C 17.14 -8.64 C 18.36 -6.54 C 18.36 -10.75 C 18.36 -7.96 C 20.91 -10.48 C 20.91 -8.23 C 19.56 -10.05 C 19.56 -8.64 22 1 -1 2 15 1 16 3 -1 20 4 -1 20 5 -2 21 6 -2 7 15 2 17 8 -2 23 9 -1 10 13 1 10 21 1 11 16 1 11 18 1 12 20 1 12 21 1 13 17 1 14 15 1 18 14 -1 16 19 1 19 17 -2 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 25 H 19.56 -11.16 C:21 17.14 -14.27 C:20 15.93 -7.96 C:36 20.61 -11.86 C:27 21.95 -11.43 C:25 21.95 -7.28 O 15.93 -12.16 O 17.18 -5.79 O 19.56 -7.25 C:68 20.90 -6.62 C:40 17.14 -10.05 C:50 21.74 -9.35 O 19.69 -5.98 O 18.36 -12.16 C:171 17.14 -12.87 C:29 17.14 -8.64 C:92 18.36 -6.54 C:73 18.36 -10.75 C:55 18.36 -7.96 C:39 20.91 -10.48 C:46 20.91 -8.23 C:60 19.56 -10.05 C:83 19.56 -8.64 22 1 -1 2 15 1 16 3 -1 20 4 -1 20 5 -2 21 6 -2 7 15 2 17 8 -2 23 9 -1 10 13 1 10 21 1 11 16 1 11 18 1 12 20 1 12 21 1 13 17 1 14 15 1 18 14 -1 16 19 1 19 17 -2 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', 'C17H28O5', 312.187, 'C', 'coc_00_1261_37', 415, '', '', '1', 1, NULL, NULL),
(1711, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@:5]13[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@@H:1]2[CH2:10]O[C:15](=O)[C@@:8]([CH3:14])([CH2:7][C@@:6]1([CH3:13])[CH3:12])[C@@:9]23O', '[H][C@]13[C@@H](OC(C)=O)C[C@@H](C)[C@@H]2COC(=O)[C@@](C)(C[C@@]1(C)C)[C@@]23O', '[H][C@:61]13[C@@H:73](O[C:170]([CH3:21])=O)[CH2:39][C@@H:34]([CH3:20])[C@@H:48]2[CH2:71]O[C:174](=O)[C@@:54]([CH3:20])([CH2:50][C@@:40]1([CH3:27])[CH3:36])[C@@:86]23O', '23 25 H 19.50 -11.10 C:4002 17.08 -14.21 C:11 15.87 -7.90 C:13 21.89 -11.37 C:12 20.55 -11.80 C:14 21.89 -7.22 O 15.87 -12.10 O 21.93 -5.68 O 19.50 -7.19 C:10 18.30 -6.48 C:3 17.08 -9.99 C:7 21.68 -9.29 O 19.63 -5.92 O 18.30 -12.10 C:4001 17.08 -12.81 C:15 20.84 -6.56 C:2 17.08 -8.58 C:4 18.30 -10.69 C:1 18.30 -7.90 C:6 20.85 -10.42 C:8 20.85 -8.17 C:5 19.50 -9.99 C:9 19.50 -8.58 22 1 -1 2 15 1 17 3 -1 20 4 -2 20 5 -1 21 6 -2 7 15 2 8 16 2 23 9 -1 10 13 1 19 10 -2 11 17 1 11 18 1 12 20 1 12 21 1 13 16 1 14 15 1 18 14 -1 16 21 1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 25 H 19.50 -11.10 C 17.08 -14.21 C 15.87 -7.90 C 21.89 -11.37 C 20.55 -11.80 C 21.89 -7.22 O 15.87 -12.10 O 21.93 -5.68 O 19.50 -7.19 C 18.30 -6.48 C 17.08 -9.99 C 21.68 -9.29 O 19.63 -5.92 O 18.30 -12.10 C 17.08 -12.81 C 20.84 -6.56 C 17.08 -8.58 C 18.30 -10.69 C 18.30 -7.90 C 20.85 -10.42 C 20.85 -8.17 C 19.50 -9.99 C 19.50 -8.58 22 1 -1 2 15 1 17 3 -1 20 4 -2 20 5 -1 21 6 -2 7 15 2 8 16 2 23 9 -1 10 13 1 19 10 -2 11 17 1 11 18 1 12 20 1 12 21 1 13 16 1 14 15 1 18 14 -1 16 21 1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 25 H 19.50 -11.10 C:21 17.08 -14.21 C:20 15.87 -7.90 C:27 21.89 -11.37 C:36 20.55 -11.80 C:20 21.89 -7.22 O 15.87 -12.10 O 21.93 -5.68 O 19.50 -7.19 C:71 18.30 -6.48 C:39 17.08 -9.99 C:50 21.68 -9.29 O 19.63 -5.92 O 18.30 -12.10 C:170 17.08 -12.81 C:174 20.84 -6.56 C:34 17.08 -8.58 C:73 18.30 -10.69 C:48 18.30 -7.90 C:40 20.85 -10.42 C:54 20.85 -8.17 C:61 19.50 -9.99 C:86 19.50 -8.58 22 1 -1 2 15 1 17 3 -1 20 4 -2 20 5 -1 21 6 -2 7 15 2 8 16 2 23 9 -1 10 13 1 19 10 -2 11 17 1 11 18 1 12 20 1 12 21 1 13 16 1 14 15 1 18 14 -1 16 21 1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', 'C17H26O5', 310.187, 'C', 'coc_00_1261_38', 415, '', '', '1', 1, NULL, NULL),
(1712, '8,9-Epibotrydial', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@@:5]12[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@@H:1]([CH:10]=O)[C@@:9]1(O)[C@:8]([CH3:15])([CH:14]=O)[CH2:7][C@@:6]2([CH3:13])[CH3:12]', '[H][C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@@H](C=O)[C@@]1(O)[C@](C)(C=O)C[C@@]2(C)C', '[H][C@@:58]12[C@@H:71](O[C:170]([CH3:21])=O)[CH2:40][C@@H:29]([CH3:20])[C@@H:60]([CH:208]=O)[C@@:89]1(O)[C@:57]([CH3:19])([CH:208]=O)[CH2:51][C@@:38]2([CH3:27])[CH3:34]', '23 24 H 19.58 -11.00 C:4002 17.12 -14.29 C:11 15.89 -7.90 C:13 21.98 -11.42 C:12 20.64 -11.85 C:15 21.98 -7.22 O 17.12 -5.77 O 21.69 -5.85 O 15.89 -12.17 O 19.58 -7.19 C:10 18.34 -6.48 C:14 20.64 -6.79 C:3 17.12 -10.03 C:7 21.77 -9.32 O 18.34 -12.17 C:4001 17.12 -12.87 C:2 17.12 -8.61 C:4 18.34 -10.74 C:1 18.34 -7.90 C:6 20.93 -10.47 C:8 20.93 -8.18 C:5 19.58 -10.03 C:9 19.58 -8.61 22 1 -1 2 16 1 17 3 -1 20 4 -2 20 5 -1 21 6 -1 7 11 2 8 12 2 9 16 2 23 10 -2 19 11 -1 21 12 -2 13 17 1 13 18 1 14 20 1 14 21 1 15 16 1 18 15 -1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 24 H 19.58 -11.00 C 17.12 -14.29 C 15.89 -7.90 C 21.98 -11.42 C 20.64 -11.85 C 21.98 -7.22 O 17.12 -5.77 O 21.69 -5.85 O 15.89 -12.17 O 19.58 -7.19 C 18.34 -6.48 C 20.64 -6.79 C 17.12 -10.03 C 21.77 -9.32 O 18.34 -12.17 C 17.12 -12.87 C 17.12 -8.61 C 18.34 -10.74 C 18.34 -7.90 C 20.93 -10.47 C 20.93 -8.18 C 19.58 -10.03 C 19.58 -8.61 22 1 -1 2 16 1 17 3 -1 20 4 -2 20 5 -1 21 6 -1 7 11 2 8 12 2 9 16 2 23 10 -2 19 11 -1 21 12 -2 13 17 1 13 18 1 14 20 1 14 21 1 15 16 1 18 15 -1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 24 H 19.58 -11.00 C:21 17.12 -14.29 C:20 15.89 -7.90 C:27 21.98 -11.42 C:34 20.64 -11.85 C:19 21.98 -7.22 O 17.12 -5.77 O 21.69 -5.85 O 15.89 -12.17 O 19.58 -7.19 C:208 18.34 -6.48 C:208 20.64 -6.79 C:40 17.12 -10.03 C:51 21.77 -9.32 O 18.34 -12.17 C:170 17.12 -12.87 C:29 17.12 -8.61 C:71 18.34 -10.74 C:60 18.34 -7.90 C:38 20.93 -10.47 C:57 20.93 -8.18 C:58 19.58 -10.03 C:89 19.58 -8.61 22 1 -1 2 16 1 17 3 -1 20 4 -2 20 5 -1 21 6 -1 7 11 2 8 12 2 9 16 2 23 10 -2 19 11 -1 21 12 -2 13 17 1 13 18 1 14 20 1 14 21 1 15 16 1 18 15 -1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', 'C17H26O5', 310.187, 'C', 'coc_00_1261_39', 415, 'No se especifica la conf. En 1. Identico a comp 41', '', '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
(1730, 'Botrydioic Acid', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@@:5]12[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@H:1]([C:10](=O)O)[C@:9]1(O)[C@@:8]([CH3:14])([C:15](=O)O)[CH2:7][C@@:6]2([CH3:13])[CH3:12]', '[H][C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@H](C(=O)O)[C@]1(O)[C@@](C)(C(=O)O)C[C@@]2(C)C', '[H][C@@:61]12[C@@H:73](O[C:171]([CH3:21])=O)[CH2:38][C@@H:30]([CH3:20])[C@H:61]([C:181](=O)O)[C@:88]1(O)[C@@:55]([CH3:21])([C:186](=O)O)[CH2:55][C@@:39]2([CH3:27])[CH3:36]', '25 26 H 15.51 -12.27 C:4002 13.06 -15.39 C:11 11.84 -9.04 C:13 17.90 -12.54 C:12 16.56 -12.97 C:14 16.56 -7.93 O 11.84 -13.28 O 13.06 -6.92 O 19.25 -8.79 O 15.49 -6.91 O 17.60 -7.00 O 15.51 -8.33 C:3 13.06 -11.16 C:7 17.69 -10.45 O 14.28 -13.28 C:4001 13.06 -13.98 C:10 14.28 -7.62 C:15 17.90 -8.36 C:2 13.06 -9.74 C:4 14.28 -11.86 C:1 14.28 -9.04 C:6 16.85 -11.59 C:8 16.85 -9.31 C:5 15.51 -11.16 C:9 15.51 -9.74 24 1 -1 2 16 1 19 3 -1 22 4 -2 22 5 -1 23 6 -2 7 16 2 8 17 2 9 18 2 10 17 1 11 18 1 25 12 -1 13 19 1 13 20 1 14 22 1 14 23 1 15 16 1 20 15 -1 21 17 -2 23 18 -1 19 21 1 20 24 1 21 25 1 22 24 1 23 25 1 24 25 1', '25 26 H 15.51 -12.27 C 13.06 -15.39 C 11.84 -9.04 C 17.90 -12.54 C 16.56 -12.97 C 16.56 -7.93 O 11.84 -13.28 O 13.06 -6.92 O 19.25 -8.79 O 15.49 -6.91 O 17.60 -7.00 O 15.51 -8.33 C 13.06 -11.16 C 17.69 -10.45 O 14.28 -13.28 C 13.06 -13.98 C 14.28 -7.62 C 17.90 -8.36 C 13.06 -9.74 C 14.28 -11.86 C 14.28 -9.04 C 16.85 -11.59 C 16.85 -9.31 C 15.51 -11.16 C 15.51 -9.74 24 1 -1 2 16 1 19 3 -1 22 4 -2 22 5 -1 23 6 -2 7 16 2 8 17 2 9 18 2 10 17 1 11 18 1 25 12 -1 13 19 1 13 20 1 14 22 1 14 23 1 15 16 1 20 15 -1 21 17 -2 23 18 -1 19 21 1 20 24 1 21 25 1 22 24 1 23 25 1 24 25 1', '25 26 H 15.51 -12.27 C:21 13.06 -15.39 C:20 11.84 -9.04 C:27 17.90 -12.54 C:36 16.56 -12.97 C:21 16.56 -7.93 O 11.84 -13.28 O 13.06 -6.92 O 19.25 -8.79 O 15.49 -6.91 O 17.60 -7.00 O 15.51 -8.33 C:38 13.06 -11.16 C:55 17.69 -10.45 O 14.28 -13.28 C:171 13.06 -13.98 C:181 14.28 -7.62 C:186 17.90 -8.36 C:30 13.06 -9.74 C:73 14.28 -11.86 C:61 14.28 -9.04 C:39 16.85 -11.59 C:55 16.85 -9.31 C:61 15.51 -11.16 C:88 15.51 -9.74 24 1 -1 2 16 1 19 3 -1 22 4 -2 22 5 -1 23 6 -2 7 16 2 8 17 2 9 18 2 10 17 1 11 18 1 25 12 -1 13 19 1 13 20 1 14 22 1 14 23 1 15 16 1 20 15 -1 21 17 -2 23 18 -1 19 21 1 20 24 1 21 25 1 22 24 1 23 25 1 24 25 1', 'C17H26O7', 342.186, 'C', 'np03_344_13', 1875, '', '', '1', 1, NULL, NULL),
(1731, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@:5]12[C:9](=[C:1]([CH:10]=O)[C@H:2]([CH3:11])[CH2:3][C@@H:4]1O)[C@@:8]([CH3:14])([C:15](=O)O[CH3:15001])[CH2:7][C@@:6]2([CH3:13])[CH3:12]', '[H][C@]12C(=C(C=O)[C@H](C)C[C@@H]1O)[C@@](C)(C(=O)OC)C[C@@]2(C)C', '[H][C@:62]12[C:164](=[C:137]([CH:192]=O)[C@H:30]([CH3:20])[CH2:42][C@@H:69]1O)[C@@:51]([CH3:30])([C:177](=O)O[CH3:53])[CH2:56][C@@:40]2([CH3:24])[CH3:30]', '21 22 H 15.57 -12.72 C:15001 18.70 -6.50 C:11 11.90 -9.49 C:12 16.62 -13.42 C:13 17.96 -12.99 C:14 16.62 -8.38 O 13.12 -7.37 O 19.31 -9.24 O 14.34 -13.73 C:10 14.34 -8.07 C:3 13.12 -11.61 C:7 17.75 -10.90 O 17.66 -7.44 C:15 17.96 -8.81 C:1 14.34 -9.49 C:9 15.57 -10.19 C:2 13.12 -10.19 C:4 14.34 -12.31 C:6 16.91 -12.04 C:8 16.91 -9.76 C:5 15.57 -11.61 21 1 -1 2 13 1 17 3 -1 19 4 -1 19 5 -2 20 6 -2 7 10 2 8 14 2 18 9 -1 15 10 -2 11 17 1 11 18 1 12 19 1 12 20 1 13 14 1 20 14 -1 15 16 2 15 17 1 16 20 1 16 21 1 18 21 1 19 21 1', '21 22 H 15.57 -12.72 C 18.70 -6.50 C 11.90 -9.49 C 16.62 -13.42 C 17.96 -12.99 C 16.62 -8.38 O 13.12 -7.37 O 19.31 -9.24 O 14.34 -13.73 C 14.34 -8.07 C 13.12 -11.61 C 17.75 -10.90 O 17.66 -7.44 C 17.96 -8.81 C 14.34 -9.49 C 15.57 -10.19 C 13.12 -10.19 C 14.34 -12.31 C 16.91 -12.04 C 16.91 -9.76 C 15.57 -11.61 21 1 -1 2 13 1 17 3 -1 19 4 -1 19 5 -2 20 6 -2 7 10 2 8 14 2 18 9 -1 15 10 -2 11 17 1 11 18 1 12 19 1 12 20 1 13 14 1 20 14 -1 15 16 2 15 17 1 16 20 1 16 21 1 18 21 1 19 21 1', '21 22 H 15.57 -12.72 C:53 18.70 -6.50 C:20 11.90 -9.49 C:30 16.62 -13.42 C:24 17.96 -12.99 C:30 16.62 -8.38 O 13.12 -7.37 O 19.31 -9.24 O 14.34 -13.73 C:192 14.34 -8.07 C:42 13.12 -11.61 C:56 17.75 -10.90 O 17.66 -7.44 C:177 17.96 -8.81 C:137 14.34 -9.49 C:164 15.57 -10.19 C:30 13.12 -10.19 C:69 14.34 -12.31 C:40 16.91 -12.04 C:51 16.91 -9.76 C:62 15.57 -11.61 21 1 -1 2 13 1 17 3 -1 19 4 -1 19 5 -2 20 6 -2 7 10 2 8 14 2 18 9 -1 15 10 -2 11 17 1 11 18 1 12 19 1 12 20 1 13 14 1 20 14 -1 15 16 2 15 17 1 16 20 1 16 21 1 18 21 1 19 21 1', 'C16H24O4', 280.177, 'C', 'np03_344_18', 1875, '', '', '1', 1, NULL, NULL),
(1732, 'Botrydiol', '', 'Terpenoids', 'Sesquiterpenoids', 'Botryanes', '[H][C@@:5]12[C@@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@@H:2]([CH3:11])[C@H:1]([CH2:10]O)[C@:9]1(O)[C@@:8]([CH3:14])([CH2:15]O)[CH2:7][C@@:6]2([CH3:13])[CH3:12]', '[H][C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@H](CO)[C@]1(O)[C@@](C)(CO)C[C@@]2(C)C', '[H][C@@:65]12[C@@H:73](O[C:171]([CH3:22])=O)[CH2:41][C@@H:29]([CH3:21])[C@H:56]([CH2:61]O)[C@:90]1(O)[C@@:50]([CH3:23])([CH2:68]O)[CH2:54][C@@:37]2([CH3:28])[CH3:36]', '23 24 H 15.51 -12.27 C:4002 13.06 -15.39 C:11 11.84 -9.04 C:12 16.56 -12.97 C:13 17.90 -12.54 C:14 16.56 -7.93 O 11.84 -13.28 O 15.49 -6.91 O 17.60 -7.00 O 15.51 -8.33 C:10 14.28 -7.62 C:15 17.90 -8.36 C:3 13.06 -11.16 C:7 17.69 -10.45 O 14.28 -13.28 C:4001 13.06 -13.98 C:2 13.06 -9.74 C:4 14.28 -11.86 C:1 14.28 -9.04 C:6 16.85 -11.59 C:8 16.85 -9.31 C:5 15.51 -11.16 C:9 15.51 -9.74 22 1 -1 2 16 1 17 3 -1 20 4 -1 20 5 -2 21 6 -2 7 16 2 8 11 1 9 12 1 23 10 -1 19 11 -2 21 12 -1 13 17 1 13 18 1 14 20 1 14 21 1 15 16 1 18 15 -1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 24 H 15.51 -12.27 C 13.06 -15.39 C 11.84 -9.04 C 16.56 -12.97 C 17.90 -12.54 C 16.56 -7.93 O 11.84 -13.28 O 15.49 -6.91 O 17.60 -7.00 O 15.51 -8.33 C 14.28 -7.62 C 17.90 -8.36 C 13.06 -11.16 C 17.69 -10.45 O 14.28 -13.28 C 13.06 -13.98 C 13.06 -9.74 C 14.28 -11.86 C 14.28 -9.04 C 16.85 -11.59 C 16.85 -9.31 C 15.51 -11.16 C 15.51 -9.74 22 1 -1 2 16 1 17 3 -1 20 4 -1 20 5 -2 21 6 -2 7 16 2 8 11 1 9 12 1 23 10 -1 19 11 -2 21 12 -1 13 17 1 13 18 1 14 20 1 14 21 1 15 16 1 18 15 -1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', '23 24 H 15.51 -12.27 C:22 13.06 -15.39 C:21 11.84 -9.04 C:36 16.56 -12.97 C:28 17.90 -12.54 C:23 16.56 -7.93 O 11.84 -13.28 O 15.49 -6.91 O 17.60 -7.00 O 15.51 -8.33 C:61 14.28 -7.62 C:68 17.90 -8.36 C:41 13.06 -11.16 C:54 17.69 -10.45 O 14.28 -13.28 C:171 13.06 -13.98 C:29 13.06 -9.74 C:73 14.28 -11.86 C:56 14.28 -9.04 C:37 16.85 -11.59 C:50 16.85 -9.31 C:65 15.51 -11.16 C:90 15.51 -9.74 22 1 -1 2 16 1 17 3 -1 20 4 -1 20 5 -2 21 6 -2 7 16 2 8 11 1 9 12 1 23 10 -1 19 11 -2 21 12 -1 13 17 1 13 18 1 14 20 1 14 21 1 15 16 1 18 15 -1 17 19 1 18 22 1 19 23 1 20 22 1 21 23 1 22 23 1', 'C17H30O5', 314.187, 'C', 'np03_344_22', 1875, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1753, 'Chagresnone', '', 'Terpenoids', 'Diterpenoids', 'Cleistanthanes', '[H][C@@:5]34[CH2:6][CH2:7][C@:8]1([H])[C@:9]([H])([CH2:11][C:12](=O)[C@:13]2([CH3:17])[C@@H:15]([CH2:16]O[C:16001]([CH3:16002])=O)[C@:14]12[H])[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH2:18]O', '[H][C@@]34CC[C@]1([H])[C@]([H])(CC(=O)[C@]2(C)[C@@H](COC(C)=O)[C@]12[H])[C@@]3(C)CCC[C@@]4(C)CO', '[H][C@@:55]34[CH2:22][CH2:36][C@:37]1([H])[C@:57]([H])([CH2:36][C:211](=O)[C@:33]2([CH3:14])[C@@H:33]([CH2:64]O[C:171]([CH3:21])=O)[C@:39]12[H])[C@@:37]3([CH3:15])[CH2:38][CH2:18][CH2:36][C@@:38]4([CH3:27])[CH2:65]O', '30 33 H 12.25 -13.52 H 14.78 -9.90 H 13.49 -11.30 H 16.70 -11.03 C:16002 21.47 -11.97 C:19 9.91 -14.20 C:20 12.25 -9.56 C:17 16.90 -7.59 O 21.47 -9.55 O 14.76 -6.70 O 11.56 -15.63 C:2 9.71 -11.04 C:18 11.97 -14.29 C:16 18.67 -9.56 C:3 9.71 -12.50 C:1 10.98 -10.29 C:6 13.49 -13.23 C:7 14.78 -12.50 C:11 13.49 -8.82 O 19.37 -10.77 C:16001 20.77 -10.77 C:12 14.78 -8.10 C:15 17.25 -9.56 C:4 10.98 -13.23 C:5 12.25 -12.50 C:8 14.78 -11.04 C:9 13.49 -10.29 C:10 12.25 -11.04 C:14 16.03 -10.29 C:13 16.03 -8.82 25 1 -2 26 2 -1 27 3 -2 29 4 -1 5 21 1 24 6 -1 28 7 -1 30 8 -1 9 21 2 10 22 2 11 13 1 12 15 1 12 16 1 24 13 -2 14 20 1 23 14 -1 15 24 1 16 28 1 17 18 1 17 25 1 18 26 1 19 22 1 19 27 1 20 21 1 22 30 1 23 29 1 23 30 1 24 25 1 25 28 1 26 27 1 26 29 1 27 28 1 29 30 1', '30 33 H 12.25 -13.52 H 14.78 -9.90 H 13.49 -11.30 H 16.70 -11.03 C 21.47 -11.97 C 9.91 -14.20 C 12.25 -9.56 C 16.90 -7.59 O 21.47 -9.55 O 14.76 -6.70 O 11.56 -15.63 C 9.71 -11.04 C 11.97 -14.29 C 18.67 -9.56 C 9.71 -12.50 C 10.98 -10.29 C 13.49 -13.23 C 14.78 -12.50 C 13.49 -8.82 O 19.37 -10.77 C 20.77 -10.77 C 14.78 -8.10 C 17.25 -9.56 C 10.98 -13.23 C 12.25 -12.50 C 14.78 -11.04 C 13.49 -10.29 C 12.25 -11.04 C 16.03 -10.29 C 16.03 -8.82 25 1 -2 26 2 -1 27 3 -2 29 4 -1 5 21 1 24 6 -1 28 7 -1 30 8 -1 9 21 2 10 22 2 11 13 1 12 15 1 12 16 1 24 13 -2 14 20 1 23 14 -1 15 24 1 16 28 1 17 18 1 17 25 1 18 26 1 19 22 1 19 27 1 20 21 1 22 30 1 23 29 1 23 30 1 24 25 1 25 28 1 26 27 1 26 29 1 27 28 1 29 30 1', '30 33 H 12.25 -13.52 H 14.78 -9.90 H 13.49 -11.30 H 16.70 -11.03 C:21 21.47 -11.97 C:27 9.91 -14.20 C:15 12.25 -9.56 C:14 16.90 -7.59 O 21.47 -9.55 O 14.76 -6.70 O 11.56 -15.63 C:18 9.71 -11.04 C:65 11.97 -14.29 C:64 18.67 -9.56 C:36 9.71 -12.50 C:38 10.98 -10.29 C:22 13.49 -13.23 C:36 14.78 -12.50 C:36 13.49 -8.82 O 19.37 -10.77 C:171 20.77 -10.77 C:211 14.78 -8.10 C:33 17.25 -9.56 C:38 10.98 -13.23 C:55 12.25 -12.50 C:37 14.78 -11.04 C:57 13.49 -10.29 C:37 12.25 -11.04 C:39 16.03 -10.29 C:33 16.03 -8.82 25 1 -2 26 2 -1 27 3 -2 29 4 -1 5 21 1 24 6 -1 28 7 -1 30 8 -1 9 21 2 10 22 2 11 13 1 12 15 1 12 16 1 24 13 -2 14 20 1 23 14 -1 15 24 1 16 28 1 17 18 1 17 25 1 18 26 1 19 22 1 19 27 1 20 21 1 22 30 1 23 29 1 23 30 1 24 25 1 25 28 1 26 27 1 26 29 1 27 28 1 29 30 1', 'C22H34O4', 362.265, 'C', 'np04_1711_4', 2295, '', '', '1', 1, NULL, NULL),
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(1768, '', '', 'Terpenoids', 'Diterpenoids', 'Cleistanthanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[c:9]([cH:11][cH:12][c:13]([C:17](=O)O[CH3:17001])[c:14]1[CH2:15][CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CCc1c(ccc(C(=O)OC)c1CC)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:49]23[CH2:19][CH2:27][c:133]1[c:154]([cH:122][cH:127][c:129]([C:169](=O)O[CH3:52])[c:143]1[CH2:23][CH3:14])[C@@:38]2([CH3:25])[CH2:39][CH2:19][CH2:41][C@@:33]3([CH3:33])[CH3:22]', '24 26 H 13.18 -14.11 C:16 19.33 -10.95 C:17001 20.45 -8.78 C:19 10.93 -14.77 C:18 12.91 -14.86 C:20 13.18 -10.26 O 18.04 -7.43 C:12 15.65 -8.85 C:11 14.40 -9.55 C:15 18.09 -11.67 C:2 10.73 -11.70 C:7 15.65 -13.11 C:3 10.73 -13.11 C:1 11.95 -10.97 C:6 14.40 -13.83 O 19.28 -9.53 C:17 18.06 -8.83 C:13 16.86 -9.55 C:9 14.40 -10.97 C:14 16.86 -10.97 C:8 15.65 -11.70 C:4 11.95 -13.83 C:5 13.18 -13.11 C:10 13.18 -11.70 23 1 -2 2 10 1 3 16 1 22 4 -1 22 5 -2 24 6 -1 7 17 2 8 9 2 8 18 1 9 19 1 10 20 1 11 13 1 11 14 1 12 15 1 12 21 1 13 22 1 14 24 1 15 23 1 16 17 1 17 18 1 18 20 2 19 21 2 19 24 1 20 21 1 22 23 1 23 24 1', '24 26 H 13.18 -14.11 C 19.33 -10.95 C 20.45 -8.78 C 10.93 -14.77 C 12.91 -14.86 C 13.18 -10.26 O 18.04 -7.43 C 15.65 -8.85 C 14.40 -9.55 C 18.09 -11.67 C 10.73 -11.70 C 15.65 -13.11 C 10.73 -13.11 C 11.95 -10.97 C 14.40 -13.83 O 19.28 -9.53 C 18.06 -8.83 C 16.86 -9.55 C 14.40 -10.97 C 16.86 -10.97 C 15.65 -11.70 C 11.95 -13.83 C 13.18 -13.11 C 13.18 -11.70 23 1 -2 2 10 1 3 16 1 22 4 -1 22 5 -2 24 6 -1 7 17 2 8 9 2 8 18 1 9 19 1 10 20 1 11 13 1 11 14 1 12 15 1 12 21 1 13 22 1 14 24 1 15 23 1 16 17 1 17 18 1 18 20 2 19 21 2 19 24 1 20 21 1 22 23 1 23 24 1', '24 26 H 13.18 -14.11 C:14 19.33 -10.95 C:52 20.45 -8.78 C:33 10.93 -14.77 C:22 12.91 -14.86 C:25 13.18 -10.26 O 18.04 -7.43 C:127 15.65 -8.85 C:122 14.40 -9.55 C:23 18.09 -11.67 C:19 10.73 -11.70 C:27 15.65 -13.11 C:41 10.73 -13.11 C:39 11.95 -10.97 C:19 14.40 -13.83 O 19.28 -9.53 C:169 18.06 -8.83 C:129 16.86 -9.55 C:154 14.40 -10.97 C:143 16.86 -10.97 C:133 15.65 -11.70 C:33 11.95 -13.83 C:49 13.18 -13.11 C:38 13.18 -11.70 23 1 -2 2 10 1 3 16 1 22 4 -1 22 5 -2 24 6 -1 7 17 2 8 9 2 8 18 1 9 19 1 10 20 1 11 13 1 11 14 1 12 15 1 12 21 1 13 22 1 14 24 1 15 23 1 16 17 1 17 18 1 18 20 2 19 21 2 19 24 1 20 21 1 22 23 1 23 24 1', 'C21H30O2', 314.231, 'C', 'ph38_1269_2', 1795, '', '', '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
(1769, '8,11,13-Cleistanthantrien-7-one- 19-oic acid', '', 'Terpenoids', 'Diterpenoids', 'Cleistanthanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[c:9]([cH:11][cH:12][c:13]([CH3:17])[c:14]1[CH2:15][CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]23CCc1c(ccc(C)c1CC)[C@@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@@:52]23[CH2:20][CH2:29][c:133]1[c:146]([cH:123][cH:128][c:133]([CH3:19])[c:140]1[CH2:22][CH3:13])[C@@:39]2([CH3:23])[CH2:40][CH2:21][CH2:38][C@:44]3([CH3:29])[C:178](=O)O[CH3:51]', '24 26 H 13.73 -12.97 C:16 19.89 -9.80 C:19001 10.81 -15.94 C:17 18.62 -7.67 C:18 13.46 -13.72 C:20 13.73 -9.11 O 10.16 -13.22 C:12 16.20 -7.69 C:11 14.95 -8.39 C:15 18.65 -10.52 C:2 11.27 -10.55 C:7 16.20 -11.97 C:3 11.27 -11.97 C:1 12.49 -9.82 C:6 14.95 -12.69 O 11.74 -14.99 C:19 11.47 -13.63 C:13 17.42 -8.39 C:9 14.95 -9.82 C:14 17.42 -9.82 C:8 16.20 -10.55 C:5 13.73 -11.97 C:4 12.49 -12.69 C:10 13.73 -10.55 22 1 -2 2 10 1 3 16 1 4 18 1 23 5 -2 24 6 -1 7 17 2 8 9 2 8 18 1 9 19 1 10 20 1 11 13 1 11 14 1 12 15 1 12 21 1 13 23 1 14 24 1 15 22 1 16 17 1 23 17 -1 18 20 2 19 21 2 19 24 1 20 21 1 22 23 1 22 24 1', '24 26 H 13.73 -12.97 C 19.89 -9.80 C 10.81 -15.94 C 18.62 -7.67 C 13.46 -13.72 C 13.73 -9.11 O 10.16 -13.22 C 16.20 -7.69 C 14.95 -8.39 C 18.65 -10.52 C 11.27 -10.55 C 16.20 -11.97 C 11.27 -11.97 C 12.49 -9.82 C 14.95 -12.69 O 11.74 -14.99 C 11.47 -13.63 C 17.42 -8.39 C 14.95 -9.82 C 17.42 -9.82 C 16.20 -10.55 C 13.73 -11.97 C 12.49 -12.69 C 13.73 -10.55 22 1 -2 2 10 1 3 16 1 4 18 1 23 5 -2 24 6 -1 7 17 2 8 9 2 8 18 1 9 19 1 10 20 1 11 13 1 11 14 1 12 15 1 12 21 1 13 23 1 14 24 1 15 22 1 16 17 1 23 17 -1 18 20 2 19 21 2 19 24 1 20 21 1 22 23 1 22 24 1', '24 26 H 13.73 -12.97 C:13 19.89 -9.80 C:51 10.81 -15.94 C:19 18.62 -7.67 C:29 13.46 -13.72 C:23 13.73 -9.11 O 10.16 -13.22 C:128 16.20 -7.69 C:123 14.95 -8.39 C:22 18.65 -10.52 C:21 11.27 -10.55 C:29 16.20 -11.97 C:38 11.27 -11.97 C:40 12.49 -9.82 C:20 14.95 -12.69 O 11.74 -14.99 C:178 11.47 -13.63 C:133 17.42 -8.39 C:146 14.95 -9.82 C:140 17.42 -9.82 C:133 16.20 -10.55 C:52 13.73 -11.97 C:44 12.49 -12.69 C:39 13.73 -10.55 22 1 -2 2 10 1 3 16 1 4 18 1 23 5 -2 24 6 -1 7 17 2 8 9 2 8 18 1 9 19 1 10 20 1 11 13 1 11 14 1 12 15 1 12 21 1 13 23 1 14 24 1 15 22 1 16 17 1 23 17 -1 18 20 2 19 21 2 19 24 1 20 21 1 22 23 1 22 24 1', 'C21H30O2', 314.231, 'C', 'ph38_1269_3', 1795, '', '', '1', 1, NULL, NULL),
(1770, '8,11,13-Cleistanthatrien-7-one-17-oie acid methyl ester', '', 'Terpenoids', 'Diterpenoids', 'Cleistanthanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:9]([cH:11][cH:12][c:13]([C:17](=O)O[CH3:17001])[c:14]1[CH2:15][CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC(=O)c1c(ccc(C(=O)OC)c1CC)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:47]23[CH2:39][C:201](=O)[c:132]1[c:160]([cH:121][cH:133][c:131]([C:169](=O)O[CH3:52])[c:146]1[CH2:23][CH3:16])[C@@:38]2([CH3:24])[CH2:39][CH2:19][CH2:41][C@:32]3([CH3:21])[CH3:33]', '25 27 H 13.13 -14.12 C:16 19.29 -10.96 C:17001 20.41 -8.79 C:18 12.86 -14.87 C:19 10.89 -14.78 C:20 13.13 -10.27 O 16.84 -13.80 O 18.03 -7.44 C:12 15.60 -8.86 C:11 14.35 -9.56 C:15 18.05 -11.67 C:2 10.69 -11.70 C:3 10.69 -13.12 C:1 11.90 -10.98 C:6 14.35 -13.84 O 19.24 -9.54 C:7 15.60 -13.12 C:17 18.02 -8.84 C:13 16.82 -9.56 C:9 14.35 -10.98 C:14 16.82 -10.98 C:8 15.60 -11.70 C:4 11.90 -13.84 C:5 13.13 -13.12 C:10 13.13 -11.70 24 1 -2 2 11 1 3 16 1 23 4 -2 23 5 -1 25 6 -1 7 17 2 8 18 2 9 10 2 9 19 1 10 20 1 11 21 1 12 13 1 12 14 1 13 23 1 14 25 1 15 17 1 15 24 1 16 18 1 17 22 1 18 19 1 19 21 2 20 22 2 20 25 1 21 22 1 23 24 1 24 25 1', '25 27 H 13.13 -14.12 C 19.29 -10.96 C 20.41 -8.79 C 12.86 -14.87 C 10.89 -14.78 C 13.13 -10.27 O 16.84 -13.80 O 18.03 -7.44 C 15.60 -8.86 C 14.35 -9.56 C 18.05 -11.67 C 10.69 -11.70 C 10.69 -13.12 C 11.90 -10.98 C 14.35 -13.84 O 19.24 -9.54 C 15.60 -13.12 C 18.02 -8.84 C 16.82 -9.56 C 14.35 -10.98 C 16.82 -10.98 C 15.60 -11.70 C 11.90 -13.84 C 13.13 -13.12 C 13.13 -11.70 24 1 -2 2 11 1 3 16 1 23 4 -2 23 5 -1 25 6 -1 7 17 2 8 18 2 9 10 2 9 19 1 10 20 1 11 21 1 12 13 1 12 14 1 13 23 1 14 25 1 15 17 1 15 24 1 16 18 1 17 22 1 18 19 1 19 21 2 20 22 2 20 25 1 21 22 1 23 24 1 24 25 1', '25 27 H 13.13 -14.12 C:16 19.29 -10.96 C:52 20.41 -8.79 C:21 12.86 -14.87 C:33 10.89 -14.78 C:24 13.13 -10.27 O 16.84 -13.80 O 18.03 -7.44 C:133 15.60 -8.86 C:121 14.35 -9.56 C:23 18.05 -11.67 C:19 10.69 -11.70 C:41 10.69 -13.12 C:39 11.90 -10.98 C:39 14.35 -13.84 O 19.24 -9.54 C:201 15.60 -13.12 C:169 18.02 -8.84 C:131 16.82 -9.56 C:160 14.35 -10.98 C:146 16.82 -10.98 C:132 15.60 -11.70 C:32 11.90 -13.84 C:47 13.13 -13.12 C:38 13.13 -11.70 24 1 -2 2 11 1 3 16 1 23 4 -2 23 5 -1 25 6 -1 7 17 2 8 18 2 9 10 2 9 19 1 10 20 1 11 21 1 12 13 1 12 14 1 13 23 1 14 25 1 15 17 1 15 24 1 16 18 1 17 22 1 18 19 1 19 21 2 20 22 2 20 25 1 21 22 1 23 24 1 24 25 1', 'C21H28O3', 328.231, 'C', 'ph38_1269_4', 1795, '', '', '1', 1, NULL, NULL),
(1771, '', '', 'Terpenoids', 'Diterpenoids', 'Cleistanthanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:9]([cH:11][cH:12][c:13]([CH3:17])[c:14]1[CH2:15][CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]23CC(=O)c1c(ccc(C)c1CC)[C@@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@@:50]23[CH2:40][C:201](=O)[c:130]1[c:153]([cH:122][cH:135][c:130]([CH3:19])[c:145]1[CH2:21][CH3:14])[C@@:39]2([CH3:24])[CH2:39][CH2:22][CH2:38][C@:44]3([CH3:28])[C:177](=O)O[CH3:9999]', '25 27 H 14.29 -12.30 C:16 20.45 -9.13 C:19001 11.37 -15.27 C:17 19.18 -7.00 C:18 14.02 -13.05 C:20 14.29 -8.44 O 17.98 -11.98 O 10.72 -12.55 C:12 16.76 -7.02 C:11 15.51 -7.72 C:15 19.21 -9.85 C:2 11.83 -9.88 C:3 11.83 -11.30 C:1 13.05 -9.15 C:6 15.51 -12.02 O 12.30 -14.32 C:7 16.76 -11.30 C:19 12.03 -12.96 C:13 17.98 -7.72 C:9 15.51 -9.15 C:14 17.98 -9.15 C:8 16.76 -9.88 C:5 14.29 -11.30 C:4 13.05 -12.02 C:10 14.29 -9.88 23 1 -2 2 11 1 3 16 1 4 19 1 24 5 -2 25 6 -1 7 17 2 8 18 2 9 10 2 9 19 1 10 20 1 11 21 1 12 13 1 12 14 1 13 24 1 14 25 1 15 17 1 15 23 1 16 18 1 17 22 1 24 18 -1 19 21 2 20 22 2 20 25 1 21 22 1 23 24 1 23 25 1', '25 27 H 14.29 -12.30 C 20.45 -9.13 C 11.37 -15.27 C 19.18 -7.00 C 14.02 -13.05 C 14.29 -8.44 O 17.98 -11.98 O 10.72 -12.55 C 16.76 -7.02 C 15.51 -7.72 C 19.21 -9.85 C 11.83 -9.88 C 11.83 -11.30 C 13.05 -9.15 C 15.51 -12.02 O 12.30 -14.32 C 16.76 -11.30 C 12.03 -12.96 C 17.98 -7.72 C 15.51 -9.15 C 17.98 -9.15 C 16.76 -9.88 C 14.29 -11.30 C 13.05 -12.02 C 14.29 -9.88 23 1 -2 2 11 1 3 16 1 4 19 1 24 5 -2 25 6 -1 7 17 2 8 18 2 9 10 2 9 19 1 10 20 1 11 21 1 12 13 1 12 14 1 13 24 1 14 25 1 15 17 1 15 23 1 16 18 1 17 22 1 24 18 -1 19 21 2 20 22 2 20 25 1 21 22 1 23 24 1 23 25 1', '25 27 H 14.29 -12.30 C:14 20.45 -9.13 C 11.37 -15.27 C:19 19.18 -7.00 C:28 14.02 -13.05 C:24 14.29 -8.44 O 17.98 -11.98 O 10.72 -12.55 C:135 16.76 -7.02 C:122 15.51 -7.72 C:21 19.21 -9.85 C:22 11.83 -9.88 C:38 11.83 -11.30 C:39 13.05 -9.15 C:40 15.51 -12.02 O 12.30 -14.32 C:201 16.76 -11.30 C:177 12.03 -12.96 C:130 17.98 -7.72 C:153 15.51 -9.15 C:145 17.98 -9.15 C:130 16.76 -9.88 C:50 14.29 -11.30 C:44 13.05 -12.02 C:39 14.29 -9.88 23 1 -2 2 11 1 3 16 1 4 19 1 24 5 -2 25 6 -1 7 17 2 8 18 2 9 10 2 9 19 1 10 20 1 11 21 1 12 13 1 12 14 1 13 24 1 14 25 1 15 17 1 15 23 1 16 18 1 17 22 1 24 18 -1 19 21 2 20 22 2 20 25 1 21 22 1 23 24 1 23 25 1', 'C21H28O3', 328.231, 'C', 'ph38_1269_5', 1795, '', '', '1', 1, NULL, NULL),
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(1788, 'Strychnistenolide B 6-O-acetate', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@:5]24[C:4](=[CH2:15])[C@H:3]1[CH2:2][C@H:1]1[C@:10]2([CH3:14])[CH2:9][C@:8]3(O)O[C:12](=O)[C:11]([CH3:13])=[C:7]3[C@@H:6]4O[C:6001]([CH3:6002])=O', '[H][C@]24C(=C)[C@H]1C[C@H]1[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3[C@@H]4OC(C)=O', '[H][C@:67]24[C:147](=[CH2:109])[C@H:24]1[CH2:17][C@H:28]1[C@:38]2([CH3:18])[CH2:48][C@:106]3(O)O[C:171](=O)[C:123]([CH3:8])=[C:158]3[C@@H:70]4O[C:21]([CH3:9999])=O', '23 26 H 17.28 -10.53 C:15 15.52 -11.10 C:13 21.51 -11.10 C:14 17.28 -6.50 O 23.31 -8.62 O 18.51 -11.43 O 19.75 -6.50 C:2 14.55 -7.33 C:9 18.51 -7.21 O 21.07 -7.48 C:11 21.07 -9.75 C:4 15.96 -9.75 C:12 21.90 -8.62 C:7 19.73 -9.32 C:3 15.13 -8.62 C:6 18.51 -10.02 C:1 15.96 -7.48 C:5 17.30 -9.32 C:10 17.30 -7.91 C:8 19.73 -7.91 C:6001 19.72 -12.14 C:6002 19.71 -13.54 O 20.93 -11.45 18 1 -2 2 12 2 3 11 1 19 4 -1 5 13 2 16 6 -2 20 7 -1 15 8 -1 17 8 -1 9 19 1 9 20 1 10 13 1 10 20 1 11 13 1 11 14 2 12 15 1 12 18 1 14 16 1 14 20 1 15 17 1 16 18 1 17 19 1 18 19 1 6 21 1 21 22 1 21 23 2', '23 26 H 17.28 -10.53 C 15.52 -11.10 C 21.51 -11.10 C 17.28 -6.50 O 23.31 -8.62 O 18.51 -11.43 O 19.75 -6.50 C 14.55 -7.33 C 18.51 -7.21 O 21.07 -7.48 C 21.07 -9.75 C 15.96 -9.75 C 21.90 -8.62 C 19.73 -9.32 C 15.13 -8.62 C 18.51 -10.02 C 15.96 -7.48 C 17.30 -9.32 C 17.30 -7.91 C 19.73 -7.91 C 19.72 -12.14 C 19.71 -13.54 O 20.93 -11.45 18 1 -2 2 12 2 3 11 1 19 4 -1 5 13 2 16 6 -2 20 7 -1 15 8 -1 17 8 -1 9 19 1 9 20 1 10 13 1 10 20 1 11 13 1 11 14 2 12 15 1 12 18 1 14 16 1 14 20 1 15 17 1 16 18 1 17 19 1 18 19 1 6 21 1 21 22 1 21 23 2', '23 26 H 17.28 -10.53 C:109 15.52 -11.10 C:8 21.51 -11.10 C:18 17.28 -6.50 O 23.31 -8.62 O 18.51 -11.43 O 19.75 -6.50 C:17 14.55 -7.33 C:48 18.51 -7.21 O 21.07 -7.48 C:123 21.07 -9.75 C:147 15.96 -9.75 C:171 21.90 -8.62 C:158 19.73 -9.32 C:24 15.13 -8.62 C:70 18.51 -10.02 C:28 15.96 -7.48 C:67 17.30 -9.32 C:38 17.30 -7.91 C:106 19.73 -7.91 C:21 19.72 -12.14 C 19.71 -13.54 O 20.93 -11.45 18 1 -2 2 12 2 3 11 1 19 4 -1 5 13 2 16 6 -2 20 7 -1 15 8 -1 17 8 -1 9 19 1 9 20 1 10 13 1 10 20 1 11 13 1 11 14 2 12 15 1 12 18 1 14 16 1 14 20 1 15 17 1 16 18 1 17 19 1 18 19 1 6 21 1 21 22 1 21 23 2', 'C17H20O5', 304.187, 'C', 'np01_286_2B', 1191, '', '', '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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(1811, '5-Epidilatanolides A', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH3:15][C@H:4]3[CH2:3][CH2:2][CH:1]=[C:10]2[CH2:9][CH2:8][C@@H:7]1[C@@H:11]([CH3:13])[C:12](=O)O[C@@H:6]1[C@@:5]23[CH3:14]', 'C[C@H]3CCC=C2CC[C@@H]1[C@@H](C)C(=O)O[C@@H]1[C@@]23C', '[CH3:15][C@H:33]3[CH2:27][CH2:26][CH:124]=[C:138]2[CH2:30][CH2:29][C@@H:40]1[C@@H:45]([CH3:14])[C:180](=O)O[C@@H:83]1[C@@:40]23[CH3:18]', '17 19 C:15 16.49 -11.43 C:13 22.53 -10.00 C:14 17.72 -10.74 O 21.29 -12.79 C:1 16.49 -7.25 C:2 15.28 -7.94 C:9 18.92 -7.25 C:3 15.28 -9.34 C:8 20.14 -7.94 O 19.21 -11.42 C:12 20.60 -11.57 C:10 17.72 -7.94 C:4 16.49 -10.04 C:11 21.16 -10.29 C:7 20.14 -9.34 C:6 18.92 -10.04 C:5 17.72 -9.34 13 1 -1 14 2 -1 17 3 -1 4 11 2 5 6 1 5 12 2 6 8 1 7 9 1 7 12 1 8 13 1 9 15 1 10 11 1 16 10 -2 11 14 1 12 17 1 13 17 1 15 14 -2 15 16 1 16 17 1', '17 19 C 16.49 -11.43 C 22.53 -10.00 C 17.72 -10.74 O 21.29 -12.79 C 16.49 -7.25 C 15.28 -7.94 C 18.92 -7.25 C 15.28 -9.34 C 20.14 -7.94 O 19.21 -11.42 C 20.60 -11.57 C 17.72 -7.94 C 16.49 -10.04 C 21.16 -10.29 C 20.14 -9.34 C 18.92 -10.04 C 17.72 -9.34 13 1 -1 14 2 -1 17 3 -1 4 11 2 5 6 1 5 12 2 6 8 1 7 9 1 7 12 1 8 13 1 9 15 1 10 11 1 16 10 -2 11 14 1 12 17 1 13 17 1 15 14 -2 15 16 1 16 17 1', '17 19 C:15 16.49 -11.43 C:14 22.53 -10.00 C:18 17.72 -10.74 O 21.29 -12.79 C:124 16.49 -7.25 C:26 15.28 -7.94 C:30 18.92 -7.25 C:27 15.28 -9.34 C:29 20.14 -7.94 O 19.21 -11.42 C:180 20.60 -11.57 C:138 17.72 -7.94 C:33 16.49 -10.04 C:45 21.16 -10.29 C:40 20.14 -9.34 C:83 18.92 -10.04 C:40 17.72 -9.34 13 1 -1 14 2 -1 17 3 -1 4 11 2 5 6 1 5 12 2 6 8 1 7 9 1 7 12 1 8 13 1 9 15 1 10 11 1 16 10 -2 11 14 1 12 17 1 13 17 1 15 14 -2 15 16 1 16 17 1', 'C15H22O2', 234.159, 'C', 'ph_59_205_1', 172, '', '', '1', 1, NULL, NULL),
(1812, '5-Epidilatanolides B', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[CH2:13]=[C:11]1[C:12](=O)O[C@H:6]3[C@@H:7]1[CH2:8][CH2:9][C:10]2=[CH:1][CH2:2][CH2:3][C@H:4]([CH3:15])[C@:5]23[CH3:14]', 'C=C1C(=O)O[C@H]3[C@@H]1CCC2=CCC[C@H](C)[C@]23C', '[CH2:119]=[C:143]1[C:170](=O)O[C@H:83]3[C@@H:39]1[CH2:29][CH2:29][C:137]2=[CH:124][CH2:25][CH2:27][C@H:33]([CH3:15])[C@:39]23[CH3:18]', '17 19 C:13 22.54 -10.00 C:15 16.50 -11.43 C:14 17.73 -10.74 O 21.30 -12.80 C:1 16.50 -7.25 C:2 15.29 -7.94 C:9 18.93 -7.25 C:3 15.29 -9.34 C:8 20.15 -7.94 O 19.22 -11.42 C:11 21.17 -10.29 C:12 20.61 -11.57 C:10 17.73 -7.94 C:4 16.50 -10.04 C:7 20.15 -9.34 C:6 18.93 -10.04 C:5 17.73 -9.34 1 11 2 14 2 -1 17 3 -1 4 12 2 5 6 1 5 13 2 6 8 1 7 9 1 7 13 1 8 14 1 9 15 1 10 12 1 16 10 -2 11 12 1 15 11 -2 13 17 1 14 17 1 15 16 1 16 17 1', '17 19 C 22.54 -10.00 C 16.50 -11.43 C 17.73 -10.74 O 21.30 -12.80 C 16.50 -7.25 C 15.29 -7.94 C 18.93 -7.25 C 15.29 -9.34 C 20.15 -7.94 O 19.22 -11.42 C 21.17 -10.29 C 20.61 -11.57 C 17.73 -7.94 C 16.50 -10.04 C 20.15 -9.34 C 18.93 -10.04 C 17.73 -9.34 1 11 2 14 2 -1 17 3 -1 4 12 2 5 6 1 5 13 2 6 8 1 7 9 1 7 13 1 8 14 1 9 15 1 10 12 1 16 10 -2 11 12 1 15 11 -2 13 17 1 14 17 1 15 16 1 16 17 1', '17 19 C:119 22.54 -10.00 C:15 16.50 -11.43 C:18 17.73 -10.74 O 21.30 -12.80 C:124 16.50 -7.25 C:25 15.29 -7.94 C:29 18.93 -7.25 C:27 15.29 -9.34 C:29 20.15 -7.94 O 19.22 -11.42 C:143 21.17 -10.29 C:170 20.61 -11.57 C:137 17.73 -7.94 C:33 16.50 -10.04 C:39 20.15 -9.34 C:83 18.93 -10.04 C:39 17.73 -9.34 1 11 2 14 2 -1 17 3 -1 4 12 2 5 6 1 5 13 2 6 8 1 7 9 1 7 13 1 8 14 1 9 15 1 10 12 1 16 10 -2 11 12 1 15 11 -2 13 17 1 14 17 1 15 16 1 16 17 1', 'C15H20O2', 232.159, 'C', 'ph_59_205_2', 172, '', '', '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
(1813, 'Nepalensolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Cycloeudesmanes', '[H][C@:5]24[C@@H:6]1O[C:12](=O)[C@@H:11]([CH3:13])[C@@H:7]1[CH2:8][CH2:9][C@:10]2([CH3:14])[CH2:1][C@@H:2]3[CH2:3][C@@:4]34[CH3:15]', '[H][C@]24[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3C[C@@]34C', '[H][C@:57]24[C@@H:79]1O[C:180](=O)[C@@H:37]([CH3:14])[C@@H:42]1[CH2:22][CH2:32][C@:53]2([CH3:19])[CH2:46][C@@H:26]3[CH2:34][C@@:26]34[CH3:19]', '18 21 H 17.77 -10.80 C:13 22.46 -10.37 C:14 17.77 -7.00 C:15 16.56 -11.77 O 21.24 -13.10 C:8 20.12 -8.36 C:9 18.94 -7.68 C:1 16.56 -7.68 C:3 15.38 -9.73 O 19.22 -11.76 C:12 20.58 -11.90 C:11 21.12 -10.66 C:2 15.38 -8.36 C:7 20.12 -9.73 C:6 18.94 -10.41 C:10 17.77 -8.36 C:4 16.56 -10.41 C:5 17.77 -9.73 18 1 -1 12 2 -2 16 3 -2 17 4 -2 5 11 2 6 7 1 6 14 1 7 16 1 8 13 1 8 16 1 13 9 -1 17 9 -1 10 11 1 15 10 -1 11 12 1 14 12 -1 13 17 1 14 15 1 15 18 1 16 18 1 17 18 1', '18 21 H 17.77 -10.80 C 22.46 -10.37 C 17.77 -7.00 C 16.56 -11.77 O 21.24 -13.10 C 20.12 -8.36 C 18.94 -7.68 C 16.56 -7.68 C 15.38 -9.73 O 19.22 -11.76 C 20.58 -11.90 C 21.12 -10.66 C 15.38 -8.36 C 20.12 -9.73 C 18.94 -10.41 C 17.77 -8.36 C 16.56 -10.41 C 17.77 -9.73 18 1 -1 12 2 -2 16 3 -2 17 4 -2 5 11 2 6 7 1 6 14 1 7 16 1 8 13 1 8 16 1 13 9 -1 17 9 -1 10 11 1 15 10 -1 11 12 1 14 12 -1 13 17 1 14 15 1 15 18 1 16 18 1 17 18 1', '18 21 H 17.77 -10.80 C:14 22.46 -10.37 C:19 17.77 -7.00 C:19 16.56 -11.77 O 21.24 -13.10 C:22 20.12 -8.36 C:32 18.94 -7.68 C:46 16.56 -7.68 C:34 15.38 -9.73 O 19.22 -11.76 C:180 20.58 -11.90 C:37 21.12 -10.66 C:26 15.38 -8.36 C:42 20.12 -9.73 C:79 18.94 -10.41 C:53 17.77 -8.36 C:26 16.56 -10.41 C:57 17.77 -9.73 18 1 -1 12 2 -2 16 3 -2 17 4 -2 5 11 2 6 7 1 6 14 1 7 16 1 8 13 1 8 16 1 13 9 -1 17 9 -1 10 11 1 15 10 -1 11 12 1 14 12 -1 13 17 1 14 15 1 15 18 1 16 18 1 17 18 1', 'C15H22O2', 234.167, 'C', 'ph59_205_3', 172, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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