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
(12697, '(+)-(5S,8S,9R,10S)-20-Methoxypuupehenone', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@:9]23[CH:11]=[c:101]1[cH:106][c:105](O[CH3:105001])[c:104](=O)[cH:103][c:102]1O[C@@:8]2([CH3:12])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:13])([CH3:14])[CH2:3][CH2:2][CH2:1][C@:10]34[CH3:15]', '[H][C@]23C=c1cc(OC)c(=O)cc1O[C@@]2(C)CC[C@@]4([H])[C@@](C)(C)CCC[C@]34C', '[H][C@:55]23[CH:139]=[c:129]1[cH:109][c:152](O[CH3:55])[c:182](=O)[cH:105][c:161]1O[C@@:79]2([CH3:28])[CH2:39][CH2:19][C@@:54]4([H])[C@@:33]([CH3:34])([CH3:22])[CH2:41][CH2:18][CH2:40][C@:42]34[CH3:15]', '27 30 H 15.48 -12.74 H 14.24 -14.93 C:105001 19.23 -5.38 C:13 13.75 -15.81 C:14 12.15 -15.65 C:12 16.78 -11.02 C:15 14.24 -11.02 O 20.43 -7.48 C:11 15.48 -10.30 C:103 19.23 -9.59 C:106 16.78 -8.17 C:2 11.79 -12.48 C:3 11.79 -13.89 C:7 16.78 -13.89 C:1 13.04 -11.73 C:6 15.48 -14.59 O 18.02 -6.08 O 18.02 -11.73 C:105 18.02 -7.48 C:102 18.02 -10.30 C:104 19.23 -8.17 C:101 16.78 -9.59 C:4 13.04 -14.59 C:9 15.48 -11.73 C:8 16.78 -12.48 C:5 14.24 -13.89 C:10 14.24 -12.48 24 1 -2 26 2 -2 3 17 1 23 4 -2 23 5 -1 25 6 -2 27 7 -1 8 21 2 9 22 2 9 24 1 10 20 2 10 21 1 11 19 2 11 22 1 12 13 1 12 15 1 13 23 1 14 16 1 14 25 1 15 27 1 16 26 1 17 19 1 18 20 1 18 25 1 19 21 1 20 22 1 23 26 1 24 25 1 24 27 1 26 27 1', '27 30 H 15.48 -12.74 H 14.24 -14.93 C 19.23 -5.38 C 13.75 -15.81 C 12.15 -15.65 C 16.78 -11.02 C 14.24 -11.02 O 20.43 -7.48 C 15.48 -10.30 C 19.23 -9.59 C 16.78 -8.17 C 11.79 -12.48 C 11.79 -13.89 C 16.78 -13.89 C 13.04 -11.73 C 15.48 -14.59 O 18.02 -6.08 O 18.02 -11.73 C 18.02 -7.48 C 18.02 -10.30 C 19.23 -8.17 C 16.78 -9.59 C 13.04 -14.59 C 15.48 -11.73 C 16.78 -12.48 C 14.24 -13.89 C 14.24 -12.48 24 1 -2 26 2 -2 3 17 1 23 4 -2 23 5 -1 25 6 -2 27 7 -1 8 21 2 9 22 2 9 24 1 10 20 2 10 21 1 11 19 2 11 22 1 12 13 1 12 15 1 13 23 1 14 16 1 14 25 1 15 27 1 16 26 1 17 19 1 18 20 1 18 25 1 19 21 1 20 22 1 23 26 1 24 25 1 24 27 1 26 27 1', '27 30 H 15.48 -12.74 H 14.24 -14.93 C:55 19.23 -5.38 C:34 13.75 -15.81 C:22 12.15 -15.65 C:28 16.78 -11.02 C:15 14.24 -11.02 O 20.43 -7.48 C:139 15.48 -10.30 C:105 19.23 -9.59 C:109 16.78 -8.17 C:18 11.79 -12.48 C:41 11.79 -13.89 C:39 16.78 -13.89 C:40 13.04 -11.73 C:19 15.48 -14.59 O 18.02 -6.08 O 18.02 -11.73 C:152 18.02 -7.48 C:161 18.02 -10.30 C:182 19.23 -8.17 C:129 16.78 -9.59 C:33 13.04 -14.59 C:55 15.48 -11.73 C:79 16.78 -12.48 C:54 14.24 -13.89 C:42 14.24 -12.48 24 1 -2 26 2 -2 3 17 1 23 4 -2 23 5 -1 25 6 -2 27 7 -1 8 21 2 9 22 2 9 24 1 10 20 2 10 21 1 11 19 2 11 22 1 12 13 1 12 15 1 13 23 1 14 16 1 14 25 1 15 27 1 16 26 1 17 19 1 18 20 1 18 25 1 19 21 1 20 22 1 23 26 1 24 25 1 24 27 1 26 27 1', 'C22H30O3', 342.249, 'C', 'np03_2_3', 3270, '', '', '1', 1, NULL, NULL),
(12698, '(+)-(5S,8S,10S)-20-Methoxy-9,15-ene-puupehenol', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]34[CH2:6][CH2:7][C@:8]2([CH3:12])O[c:102]1[cH:103][c:104](O)[c:105](O[CH3:105001])[cH:106][c:101]1[CH:11]=[C:9]2[C@@:10]3([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:13])[CH3:14]', '[H][C@@]34CC[C@]2(C)Oc1cc(O)c(OC)cc1C=C2[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:44]34[CH2:19][CH2:31][C@:77]2([CH3:25])O[c:146]1[cH:104][c:146](O)[c:141](O[CH3:57])[cH:109][c:117]1[CH:114]=[C:150]2[C@@:39]3([CH3:26])[CH2:39][CH2:18][CH2:42][C@:34]4([CH3:33])[CH3:21]', '26 29 H 14.27 -14.90 C:105001 19.22 -5.44 C:13 13.79 -15.77 C:14 12.20 -15.61 C:12 16.79 -11.03 C:15 14.27 -11.03 O 20.41 -7.52 C:11 15.50 -10.31 C:103 19.22 -9.61 C:106 16.79 -8.20 C:2 11.85 -12.47 C:3 11.85 -13.87 C:1 13.08 -11.73 C:7 16.79 -13.87 C:6 15.50 -14.56 O 18.02 -6.13 O 18.02 -11.73 C:9 15.50 -11.73 C:104 19.22 -8.20 C:101 16.79 -9.61 C:105 18.02 -7.52 C:102 18.02 -10.31 C:4 13.08 -14.56 C:8 16.79 -12.47 C:10 14.27 -12.47 C:5 14.27 -13.87 26 1 -2 2 16 1 23 3 -2 23 4 -1 24 5 -2 25 6 -1 7 19 1 8 18 2 8 20 1 9 19 1 9 22 2 10 20 2 10 21 1 11 12 1 11 13 1 12 23 1 13 25 1 14 15 1 14 24 1 15 26 1 16 21 1 17 22 1 17 24 1 18 24 1 18 25 1 19 21 2 20 22 1 23 26 1 25 26 1', '26 29 H 14.27 -14.90 C 19.22 -5.44 C 13.79 -15.77 C 12.20 -15.61 C 16.79 -11.03 C 14.27 -11.03 O 20.41 -7.52 C 15.50 -10.31 C 19.22 -9.61 C 16.79 -8.20 C 11.85 -12.47 C 11.85 -13.87 C 13.08 -11.73 C 16.79 -13.87 C 15.50 -14.56 O 18.02 -6.13 O 18.02 -11.73 C 15.50 -11.73 C 19.22 -8.20 C 16.79 -9.61 C 18.02 -7.52 C 18.02 -10.31 C 13.08 -14.56 C 16.79 -12.47 C 14.27 -12.47 C 14.27 -13.87 26 1 -2 2 16 1 23 3 -2 23 4 -1 24 5 -2 25 6 -1 7 19 1 8 18 2 8 20 1 9 19 1 9 22 2 10 20 2 10 21 1 11 12 1 11 13 1 12 23 1 13 25 1 14 15 1 14 24 1 15 26 1 16 21 1 17 22 1 17 24 1 18 24 1 18 25 1 19 21 2 20 22 1 23 26 1 25 26 1', '26 29 H 14.27 -14.90 C:57 19.22 -5.44 C:33 13.79 -15.77 C:21 12.20 -15.61 C:25 16.79 -11.03 C:26 14.27 -11.03 O 20.41 -7.52 C:114 15.50 -10.31 C:104 19.22 -9.61 C:109 16.79 -8.20 C:18 11.85 -12.47 C:42 11.85 -13.87 C:39 13.08 -11.73 C:31 16.79 -13.87 C:19 15.50 -14.56 O 18.02 -6.13 O 18.02 -11.73 C:150 15.50 -11.73 C:146 19.22 -8.20 C:117 16.79 -9.61 C:141 18.02 -7.52 C:146 18.02 -10.31 C:34 13.08 -14.56 C:77 16.79 -12.47 C:39 14.27 -12.47 C:44 14.27 -13.87 26 1 -2 2 16 1 23 3 -2 23 4 -1 24 5 -2 25 6 -1 7 19 1 8 18 2 8 20 1 9 19 1 9 22 2 10 20 2 10 21 1 11 12 1 11 13 1 12 23 1 13 25 1 14 15 1 14 24 1 15 26 1 16 21 1 17 22 1 17 24 1 18 24 1 18 25 1 19 21 2 20 22 1 23 26 1 25 26 1', 'C22H30O3', 342.242, 'C', 'np03_2_4', 3270, '', '', '1', 1, NULL, NULL),
(12699, '(+)-(5S,8S,9R,10S)-15,20-Dimethoxypuupehenol', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]34[CH2:6][CH2:7][C@:8]2([CH3:12])O[c:102]1[cH:103][c:104](O)[c:105](O[CH3:105001])[cH:106][c:101]1[C@@H:11](O[CH3:11001])[C@:9]2([H])[C@@:10]3([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:14])[CH3:13]', '[H][C@@]34CC[C@]2(C)Oc1cc(O)c(OC)cc1[C@@H](OC)[C@]2([H])[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:55]34[CH2:18][CH2:41][C@:75]2([CH3:27])O[c:149]1[cH:104][c:147](O)[c:141](O[CH3:56])[cH:112][c:115]1[C@@H:74](O[CH3:56])[C@:54]2([H])[C@@:37]3([CH3:15])[CH2:40][CH2:19][CH2:42][C@@:33]4([CH3:22])[CH3:34]', '29 32 H 14.25 -14.93 H 15.49 -12.74 C:105001 19.24 -5.38 C:11001 14.25 -8.23 C:14 12.15 -15.65 C:13 13.76 -15.81 C:12 16.79 -11.03 C:15 14.25 -11.03 O 20.43 -7.49 C:103 19.24 -9.63 C:106 16.79 -8.18 C:2 11.79 -12.48 C:3 11.79 -13.89 C:1 13.04 -11.74 C:7 16.79 -13.89 C:6 15.49 -14.59 O 18.03 -6.08 O 14.25 -9.63 O 18.03 -11.74 C:104 19.24 -8.18 C:105 18.03 -7.49 C:102 18.03 -10.31 C:101 16.79 -9.63 C:11 15.49 -10.31 C:4 13.04 -14.59 C:8 16.79 -12.48 C:5 14.25 -13.89 C:10 14.25 -12.48 C:9 15.49 -11.74 27 1 -2 29 2 -2 3 17 1 4 18 1 25 5 -1 25 6 -2 26 7 -2 28 8 -1 9 20 1 10 20 2 10 22 1 11 21 2 11 23 1 12 13 1 12 14 1 13 25 1 14 28 1 15 16 1 15 26 1 16 27 1 17 21 1 24 18 -2 19 22 1 19 26 1 20 21 1 22 23 2 23 24 1 24 29 1 25 27 1 26 29 1 27 28 1 28 29 1', '29 32 H 14.25 -14.93 H 15.49 -12.74 C 19.24 -5.38 C 14.25 -8.23 C 12.15 -15.65 C 13.76 -15.81 C 16.79 -11.03 C 14.25 -11.03 O 20.43 -7.49 C 19.24 -9.63 C 16.79 -8.18 C 11.79 -12.48 C 11.79 -13.89 C 13.04 -11.74 C 16.79 -13.89 C 15.49 -14.59 O 18.03 -6.08 O 14.25 -9.63 O 18.03 -11.74 C 19.24 -8.18 C 18.03 -7.49 C 18.03 -10.31 C 16.79 -9.63 C 15.49 -10.31 C 13.04 -14.59 C 16.79 -12.48 C 14.25 -13.89 C 14.25 -12.48 C 15.49 -11.74 27 1 -2 29 2 -2 3 17 1 4 18 1 25 5 -1 25 6 -2 26 7 -2 28 8 -1 9 20 1 10 20 2 10 22 1 11 21 2 11 23 1 12 13 1 12 14 1 13 25 1 14 28 1 15 16 1 15 26 1 16 27 1 17 21 1 24 18 -2 19 22 1 19 26 1 20 21 1 22 23 2 23 24 1 24 29 1 25 27 1 26 29 1 27 28 1 28 29 1', '29 32 H 14.25 -14.93 H 15.49 -12.74 C:56 19.24 -5.38 C:56 14.25 -8.23 C:22 12.15 -15.65 C:34 13.76 -15.81 C:27 16.79 -11.03 C:15 14.25 -11.03 O 20.43 -7.49 C:104 19.24 -9.63 C:112 16.79 -8.18 C:19 11.79 -12.48 C:42 11.79 -13.89 C:40 13.04 -11.74 C:41 16.79 -13.89 C:18 15.49 -14.59 O 18.03 -6.08 O 14.25 -9.63 O 18.03 -11.74 C:147 19.24 -8.18 C:141 18.03 -7.49 C:149 18.03 -10.31 C:115 16.79 -9.63 C:74 15.49 -10.31 C:33 13.04 -14.59 C:75 16.79 -12.48 C:55 14.25 -13.89 C:37 14.25 -12.48 C:54 15.49 -11.74 27 1 -2 29 2 -2 3 17 1 4 18 1 25 5 -1 25 6 -2 26 7 -2 28 8 -1 9 20 1 10 20 2 10 22 1 11 21 2 11 23 1 12 13 1 12 14 1 13 25 1 14 28 1 15 16 1 15 26 1 16 27 1 17 21 1 24 18 -2 19 22 1 19 26 1 20 21 1 22 23 2 23 24 1 24 29 1 25 27 1 26 29 1 27 28 1 28 29 1', 'C23H34O4', 374.26, 'C', 'np03_2_5', 3270, '', '', '1', 1, NULL, NULL),
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(12714, 'ent-Yahazunol', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]([CH3:12])(O)[C@H:9]([CH2:11][c:101]1[cH:106][c:105](O)[cH:104][cH:103][c:102]1O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@@]23CC[C@@](C)(O)[C@H](Cc1cc(O)ccc1O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:56]23[CH2:20][CH2:44][C@@:76]([CH3:25])(O)[C@H:61]([CH2:27][c:130]1[cH:118][c:149](O)[cH:114][cH:117][c:148]1O)[C@@:40]2([CH3:15])[CH2:40][CH2:18][CH2:42][C@:33]3([CH3:33])[CH3:21]', '25 27 H 14.34 -14.06 C:13 13.83 -14.92 C:14 12.26 -14.77 C:12 17.88 -10.95 C:15 14.34 -10.26 O 20.38 -9.09 O 15.55 -6.28 O 18.14 -12.31 C:104 19.19 -7.00 C:103 17.96 -6.28 C:106 17.96 -9.09 C:2 11.93 -11.68 C:3 11.93 -13.06 C:7 16.78 -13.06 C:1 13.14 -10.95 C:6 15.55 -13.74 C:11 15.55 -9.09 C:105 19.19 -8.42 C:102 16.78 -7.00 C:101 16.78 -8.42 C:9 15.55 -10.95 C:4 13.14 -13.74 C:8 16.78 -11.68 C:5 14.34 -13.06 C:10 14.34 -11.68 24 1 -2 22 2 -2 22 3 -1 23 4 -1 25 5 -1 6 18 1 7 19 1 23 8 -2 9 10 1 9 18 2 10 19 2 11 18 1 11 20 2 12 13 1 12 15 1 13 22 1 14 16 1 14 23 1 15 25 1 16 24 1 17 20 1 21 17 -1 19 20 1 21 23 1 21 25 1 22 24 1 24 25 1', '25 27 H 14.34 -14.06 C 13.83 -14.92 C 12.26 -14.77 C 17.88 -10.95 C 14.34 -10.26 O 20.38 -9.09 O 15.55 -6.28 O 18.14 -12.31 C 19.19 -7.00 C 17.96 -6.28 C 17.96 -9.09 C 11.93 -11.68 C 11.93 -13.06 C 16.78 -13.06 C 13.14 -10.95 C 15.55 -13.74 C 15.55 -9.09 C 19.19 -8.42 C 16.78 -7.00 C 16.78 -8.42 C 15.55 -10.95 C 13.14 -13.74 C 16.78 -11.68 C 14.34 -13.06 C 14.34 -11.68 24 1 -2 22 2 -2 22 3 -1 23 4 -1 25 5 -1 6 18 1 7 19 1 23 8 -2 9 10 1 9 18 2 10 19 2 11 18 1 11 20 2 12 13 1 12 15 1 13 22 1 14 16 1 14 23 1 15 25 1 16 24 1 17 20 1 21 17 -1 19 20 1 21 23 1 21 25 1 22 24 1 24 25 1', '25 27 H 14.34 -14.06 C:33 13.83 -14.92 C:21 12.26 -14.77 C:25 17.88 -10.95 C:15 14.34 -10.26 O 20.38 -9.09 O 15.55 -6.28 O 18.14 -12.31 C:114 19.19 -7.00 C:117 17.96 -6.28 C:118 17.96 -9.09 C:18 11.93 -11.68 C:42 11.93 -13.06 C:44 16.78 -13.06 C:40 13.14 -10.95 C:20 15.55 -13.74 C:27 15.55 -9.09 C:149 19.19 -8.42 C:148 16.78 -7.00 C:130 16.78 -8.42 C:61 15.55 -10.95 C:33 13.14 -13.74 C:76 16.78 -11.68 C:56 14.34 -13.06 C:40 14.34 -11.68 24 1 -2 22 2 -2 22 3 -1 23 4 -1 25 5 -1 6 18 1 7 19 1 23 8 -2 9 10 1 9 18 2 10 19 2 11 18 1 11 20 2 12 13 1 12 15 1 13 22 1 14 16 1 14 23 1 15 25 1 16 24 1 17 20 1 21 17 -1 19 20 1 21 23 1 21 25 1 22 24 1 24 25 1', 'C21H32O3', 332.231, 'C', 'np05_653_4', 3273, '', '', '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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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
(12730, 'Colossolactone F', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8]4=[C:9]([CH:10]=[C:19]1[CH:1]=[CH:2][C:3](=O)O[C@@:4]2([CH3:29])[CH3:28])[C@@H:11](O)[CH2:12][C@:13]5([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH:22]3[CH2:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O3)[CH2:16][C@@H:15](O[C:15001]([CH3:15002])=O)[C@@:14]45[CH3:30]', '[H][C@@]12CCC4=C(C=C1C=CC(=O)O[C@@]2(C)C)[C@@H](O)C[C@]5(C)[C@@]([H])([C@H](C)C3CC=C(C)C(=O)O3)C[C@@H](OC(C)=O)[C@@]45C', '[H][C@@:49]12[CH2:37][CH2:27][C:149]4=[C:132]([CH:140]=[C:141]1[CH:144]=[CH:119][C:167](=O)O[C@@:81]2([CH3:27])[CH3:28])[C@@H:68](O)[CH2:42][C@:43]5([CH3:19])[C@@:45]([H])([C@H:40]([CH3:13])[CH:80]3[CH2:28][CH:139]=[C:128]([CH3:17])[C:166](=O)O3)[CH2:39][C@@H:78](O[C:170]([CH3:21])=O)[C@@:56]45[CH3:25]', '41 45 H 13.31 -14.14 H 17.29 -9.38 C:15002 19.93 -13.62 C:27 23.52 -5.80 C:21 17.16 -5.95 C:29 12.59 -16.13 C:28 13.94 -15.25 C:18 16.29 -7.45 C:30 16.31 -11.80 O 20.39 -11.24 O 8.75 -15.17 O 22.72 -8.46 O 12.48 -8.21 C:2 9.73 -13.02 C:1 10.67 -12.01 C:24 21.22 -5.09 C:10 12.48 -10.80 C:7 15.16 -12.40 C:23 19.93 -5.41 C:6 14.21 -13.41 C:12 15.02 -8.12 C:16 18.49 -9.59 O 18.10 -12.03 O 20.39 -7.76 O 11.11 -15.11 C:15001 19.47 -12.30 C:25 22.16 -6.11 C:3 9.92 -14.40 C:26 21.77 -7.44 C:19 12.04 -12.13 C:9 13.74 -10.30 C:8 15.02 -11.04 C:11 13.74 -8.87 C:20 18.10 -7.02 C:22 19.47 -6.73 C:15 17.65 -10.71 C:4 12.39 -14.61 C:5 12.82 -13.29 C:17 17.65 -8.42 C:13 16.29 -8.87 C:14 16.29 -10.30 38 1 -2 39 2 -2 3 26 1 4 27 1 34 5 -2 37 6 -1 37 7 -2 40 8 -1 41 9 -2 10 26 2 11 28 2 12 29 2 33 13 -1 14 15 2 14 28 1 15 30 1 16 19 1 16 27 2 17 30 2 17 31 1 18 20 1 18 32 1 19 35 1 20 38 1 21 33 1 21 40 1 22 36 1 22 39 1 23 26 1 36 23 -1 24 29 1 24 35 1 25 28 1 25 37 1 27 29 1 30 38 1 31 32 2 31 33 1 32 41 1 34 35 1 34 39 1 36 41 1 37 38 1 39 40 1 40 41 1', '41 45 H 13.31 -14.14 H 17.29 -9.38 C 19.93 -13.62 C 23.52 -5.80 C 17.16 -5.95 C 12.59 -16.13 C 13.94 -15.25 C 16.29 -7.45 C 16.31 -11.80 O 20.39 -11.24 O 8.75 -15.17 O 22.72 -8.46 O 12.48 -8.21 C 9.73 -13.02 C 10.67 -12.01 C 21.22 -5.09 C 12.48 -10.80 C 15.16 -12.40 C 19.93 -5.41 C 14.21 -13.41 C 15.02 -8.12 C 18.49 -9.59 O 18.10 -12.03 O 20.39 -7.76 O 11.11 -15.11 C 19.47 -12.30 C 22.16 -6.11 C 9.92 -14.40 C 21.77 -7.44 C 12.04 -12.13 C 13.74 -10.30 C 15.02 -11.04 C 13.74 -8.87 C 18.10 -7.02 C 19.47 -6.73 C 17.65 -10.71 C 12.39 -14.61 C 12.82 -13.29 C 17.65 -8.42 C 16.29 -8.87 C 16.29 -10.30 38 1 -2 39 2 -2 3 26 1 4 27 1 34 5 -2 37 6 -1 37 7 -2 40 8 -1 41 9 -2 10 26 2 11 28 2 12 29 2 33 13 -1 14 15 2 14 28 1 15 30 1 16 19 1 16 27 2 17 30 2 17 31 1 18 20 1 18 32 1 19 35 1 20 38 1 21 33 1 21 40 1 22 36 1 22 39 1 23 26 1 36 23 -1 24 29 1 24 35 1 25 28 1 25 37 1 27 29 1 30 38 1 31 32 2 31 33 1 32 41 1 34 35 1 34 39 1 36 41 1 37 38 1 39 40 1 40 41 1', '41 45 H 13.31 -14.14 H 17.29 -9.38 C:21 19.93 -13.62 C:17 23.52 -5.80 C:13 17.16 -5.95 C:27 12.59 -16.13 C:28 13.94 -15.25 C:19 16.29 -7.45 C:25 16.31 -11.80 O 20.39 -11.24 O 8.75 -15.17 O 22.72 -8.46 O 12.48 -8.21 C:119 9.73 -13.02 C:144 10.67 -12.01 C:139 21.22 -5.09 C:140 12.48 -10.80 C:27 15.16 -12.40 C:28 19.93 -5.41 C:37 14.21 -13.41 C:42 15.02 -8.12 C:39 18.49 -9.59 O 18.10 -12.03 O 20.39 -7.76 O 11.11 -15.11 C:170 19.47 -12.30 C:128 22.16 -6.11 C:167 9.92 -14.40 C:166 21.77 -7.44 C:141 12.04 -12.13 C:132 13.74 -10.30 C:149 15.02 -11.04 C:68 13.74 -8.87 C:40 18.10 -7.02 C:80 19.47 -6.73 C:78 17.65 -10.71 C:81 12.39 -14.61 C:49 12.82 -13.29 C:45 17.65 -8.42 C:43 16.29 -8.87 C:56 16.29 -10.30 38 1 -2 39 2 -2 3 26 1 4 27 1 34 5 -2 37 6 -1 37 7 -2 40 8 -1 41 9 -2 10 26 2 11 28 2 12 29 2 33 13 -1 14 15 2 14 28 1 15 30 1 16 19 1 16 27 2 17 30 2 17 31 1 18 20 1 18 32 1 19 35 1 20 38 1 21 33 1 21 40 1 22 36 1 22 39 1 23 26 1 36 23 -1 24 29 1 24 35 1 25 28 1 25 37 1 27 29 1 30 38 1 31 32 2 31 33 1 32 41 1 34 35 1 34 39 1 36 41 1 37 38 1 39 40 1 40 41 1', 'C32H42O7', 538.354, 'C', 'np01_236_6', 3277, '', '', '1', 1, NULL, NULL),
(12731, 'Colossolactone G', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH:22]1[CH2:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O1)[CH2:16][C@@H:15](O[C:15001]([CH3:15002])=O)[C@@:14]5([CH3:30])[C:8]3=[C:9]([CH:10]=[C:19]2[CH:1]=[CH:2][C:3](=O)O[C@@:4]([CH3:29])([CH3:28])[C:5]2(O)[CH2:6][CH2:7]3)[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)C1CC=C(C)C(=O)O1)C[C@@H](OC(C)=O)[C@@]5(C)C3=C(C=C2C=CC(=O)O[C@@](C)(C)C2(O)CC3)CC[C@]45C', '[H][C@:46]4([C@H:40]([CH3:13])[CH:80]1[CH2:28][CH:139]=[C:128]([CH3:17])[C:166](=O)O1)[CH2:38][C@@H:78](O[C:170]([CH3:21])=O)[C@@:55]5([CH3:24])[C:149]3=[C:128]([CH:133]=[C:139]2[CH:148]=[CH:117][C:164](=O)O[C@@:78]([CH3:25])([CH3:25])[C:93]2(O)[CH2:44][CH2:27]3)[CH2:28][CH2:31][C@:44]45[CH3:17]', '40 44 H 17.30 -9.38 C:15002 19.92 -13.59 C:27 23.48 -5.82 C:21 17.17 -5.97 C:29 12.63 -16.08 C:28 13.97 -15.21 C:18 16.30 -7.46 C:30 16.32 -11.78 O 20.38 -11.22 O 8.80 -15.13 O 22.68 -8.46 O 13.63 -14.41 C:2 9.79 -12.99 C:1 10.72 -11.99 C:24 21.20 -5.11 C:10 12.52 -10.79 C:11 13.77 -8.87 C:7 15.18 -12.38 C:23 19.92 -5.43 C:12 15.04 -8.12 C:6 14.24 -13.38 C:16 18.49 -9.58 O 18.10 -12.01 O 20.38 -7.77 O 11.16 -15.07 C:15001 19.46 -12.28 C:25 22.13 -6.13 C:3 9.97 -14.36 C:26 21.75 -7.45 C:9 13.77 -10.29 C:19 12.08 -12.11 C:8 15.04 -11.03 C:20 18.10 -7.03 C:22 19.46 -6.74 C:15 17.66 -10.70 C:4 12.43 -14.57 C:17 17.66 -8.42 C:13 16.30 -8.87 C:14 16.30 -10.29 C:5 12.86 -13.26 37 1 -2 2 26 1 3 27 1 33 4 -2 36 5 -1 36 6 -2 38 7 -1 39 8 -2 9 26 2 10 28 2 11 29 2 12 40 1 13 14 2 13 28 1 14 31 1 15 19 1 15 27 2 16 30 1 16 31 2 17 20 1 17 30 1 18 21 1 18 32 1 19 34 1 20 38 1 21 40 1 22 35 1 22 37 1 23 26 1 35 23 -1 24 29 1 24 34 1 25 28 1 25 36 1 27 29 1 30 32 2 31 40 1 32 39 1 33 34 1 33 37 1 35 39 1 36 40 1 37 38 1 38 39 1', '40 44 H 17.30 -9.38 C 19.92 -13.59 C 23.48 -5.82 C 17.17 -5.97 C 12.63 -16.08 C 13.97 -15.21 C 16.30 -7.46 C 16.32 -11.78 O 20.38 -11.22 O 8.80 -15.13 O 22.68 -8.46 O 13.63 -14.41 C 9.79 -12.99 C 10.72 -11.99 C 21.20 -5.11 C 12.52 -10.79 C 13.77 -8.87 C 15.18 -12.38 C 19.92 -5.43 C 15.04 -8.12 C 14.24 -13.38 C 18.49 -9.58 O 18.10 -12.01 O 20.38 -7.77 O 11.16 -15.07 C 19.46 -12.28 C 22.13 -6.13 C 9.97 -14.36 C 21.75 -7.45 C 13.77 -10.29 C 12.08 -12.11 C 15.04 -11.03 C 18.10 -7.03 C 19.46 -6.74 C 17.66 -10.70 C 12.43 -14.57 C 17.66 -8.42 C 16.30 -8.87 C 16.30 -10.29 C 12.86 -13.26 37 1 -2 2 26 1 3 27 1 33 4 -2 36 5 -1 36 6 -2 38 7 -1 39 8 -2 9 26 2 10 28 2 11 29 2 12 40 1 13 14 2 13 28 1 14 31 1 15 19 1 15 27 2 16 30 1 16 31 2 17 20 1 17 30 1 18 21 1 18 32 1 19 34 1 20 38 1 21 40 1 22 35 1 22 37 1 23 26 1 35 23 -1 24 29 1 24 34 1 25 28 1 25 36 1 27 29 1 30 32 2 31 40 1 32 39 1 33 34 1 33 37 1 35 39 1 36 40 1 37 38 1 38 39 1', '40 44 H 17.30 -9.38 C:21 19.92 -13.59 C:17 23.48 -5.82 C:13 17.17 -5.97 C:25 12.63 -16.08 C:25 13.97 -15.21 C:17 16.30 -7.46 C:24 16.32 -11.78 O 20.38 -11.22 O 8.80 -15.13 O 22.68 -8.46 O 13.63 -14.41 C:117 9.79 -12.99 C:148 10.72 -11.99 C:139 21.20 -5.11 C:133 12.52 -10.79 C:28 13.77 -8.87 C:27 15.18 -12.38 C:28 19.92 -5.43 C:31 15.04 -8.12 C:44 14.24 -13.38 C:38 18.49 -9.58 O 18.10 -12.01 O 20.38 -7.77 O 11.16 -15.07 C:170 19.46 -12.28 C:128 22.13 -6.13 C:164 9.97 -14.36 C:166 21.75 -7.45 C:128 13.77 -10.29 C:139 12.08 -12.11 C:149 15.04 -11.03 C:40 18.10 -7.03 C:80 19.46 -6.74 C:78 17.66 -10.70 C:78 12.43 -14.57 C:46 17.66 -8.42 C:44 16.30 -8.87 C:55 16.30 -10.29 C:93 12.86 -13.26 37 1 -2 2 26 1 3 27 1 33 4 -2 36 5 -1 36 6 -2 38 7 -1 39 8 -2 9 26 2 10 28 2 11 29 2 12 40 1 13 14 2 13 28 1 14 31 1 15 19 1 15 27 2 16 30 1 16 31 2 17 20 1 17 30 1 18 21 1 18 32 1 19 34 1 20 38 1 21 40 1 22 35 1 22 37 1 23 26 1 35 23 -1 24 29 1 24 34 1 25 28 1 25 36 1 27 29 1 30 32 2 31 40 1 32 39 1 33 34 1 33 37 1 35 39 1 36 40 1 37 38 1 38 39 1', 'C32H42O7', 538.346, 'C', 'np01_236_7', 3277, '', '', '1', 1, NULL, NULL),
(12732, 'Lucidenic acid N', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=O)O)[CH2:16][C:15](=O)[C@@:14]2([CH3:30])[C:8]4=[C:9]([C:11](=O)[CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]3([H])[CH2:6][C@@H:7]4O', '[H][C@]1([C@H](C)CCC(=O)O)CC(=O)[C@@]2(C)C4=C(C(=O)C[C@]12C)[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])C[C@@H]4O', '[H][C@:46]1([C@H:35]([CH3:18])[CH2:30][CH2:31][C:178](=O)O)[CH2:41][C:218](=O)[C@@:59]2([CH3:15])[C:157]4=[C:143]([C:198](=O)[CH2:50][C@:45]12[CH3:17])[C@@:39]3([CH3:18])[CH2:35][CH2:28][C@H:78](O)[C@:39]([CH3:24])([CH3:28])[C@:49]3([H])[CH2:27][C@@H:67]4O', '35 38 H 17.74 -9.77 H 12.87 -13.88 C:21 17.44 -6.37 C:28 12.37 -14.76 C:29 10.85 -14.71 C:19 12.87 -9.92 C:30 16.63 -12.09 C:18 16.61 -7.81 O 22.55 -6.58 O 12.94 -8.53 O 18.36 -12.36 O 23.03 -8.96 O 16.55 -13.53 O 9.23 -13.53 C:23 20.70 -8.18 C:22 19.77 -7.14 C:2 10.42 -11.36 C:1 11.64 -10.62 C:16 18.77 -9.92 C:12 15.37 -8.50 C:6 14.15 -13.50 C:24 22.10 -7.90 C:11 14.15 -9.21 C:15 17.93 -11.04 C:9 14.15 -10.62 C:8 15.37 -11.36 C:20 18.36 -7.44 C:7 15.37 -12.81 C:3 10.42 -12.81 C:4 11.64 -13.50 C:17 17.93 -8.79 C:5 12.87 -12.81 C:10 12.87 -11.36 C:14 16.61 -10.62 C:13 16.61 -9.21 31 1 -2 32 2 -2 27 3 -2 30 4 -2 30 5 -1 33 6 -1 34 7 -2 35 8 -1 9 22 2 10 23 2 11 24 2 12 22 1 28 13 -1 29 14 -1 15 16 1 15 22 1 16 27 1 17 18 1 17 29 1 18 33 1 19 24 1 19 31 1 20 23 1 20 35 1 21 28 1 21 32 1 23 25 1 24 34 1 25 26 2 25 33 1 26 28 1 26 34 1 27 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 17.74 -9.77 H 12.87 -13.88 C 17.44 -6.37 C 12.37 -14.76 C 10.85 -14.71 C 12.87 -9.92 C 16.63 -12.09 C 16.61 -7.81 O 22.55 -6.58 O 12.94 -8.53 O 18.36 -12.36 O 23.03 -8.96 O 16.55 -13.53 O 9.23 -13.53 C 20.70 -8.18 C 19.77 -7.14 C 10.42 -11.36 C 11.64 -10.62 C 18.77 -9.92 C 15.37 -8.50 C 14.15 -13.50 C 22.10 -7.90 C 14.15 -9.21 C 17.93 -11.04 C 14.15 -10.62 C 15.37 -11.36 C 18.36 -7.44 C 15.37 -12.81 C 10.42 -12.81 C 11.64 -13.50 C 17.93 -8.79 C 12.87 -12.81 C 12.87 -11.36 C 16.61 -10.62 C 16.61 -9.21 31 1 -2 32 2 -2 27 3 -2 30 4 -2 30 5 -1 33 6 -1 34 7 -2 35 8 -1 9 22 2 10 23 2 11 24 2 12 22 1 28 13 -1 29 14 -1 15 16 1 15 22 1 16 27 1 17 18 1 17 29 1 18 33 1 19 24 1 19 31 1 20 23 1 20 35 1 21 28 1 21 32 1 23 25 1 24 34 1 25 26 2 25 33 1 26 28 1 26 34 1 27 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 17.74 -9.77 H 12.87 -13.88 C:18 17.44 -6.37 C:24 12.37 -14.76 C:28 10.85 -14.71 C:18 12.87 -9.92 C:15 16.63 -12.09 C:17 16.61 -7.81 O 22.55 -6.58 O 12.94 -8.53 O 18.36 -12.36 O 23.03 -8.96 O 16.55 -13.53 O 9.23 -13.53 C:31 20.70 -8.18 C:30 19.77 -7.14 C:28 10.42 -11.36 C:35 11.64 -10.62 C:41 18.77 -9.92 C:50 15.37 -8.50 C:27 14.15 -13.50 C:178 22.10 -7.90 C:198 14.15 -9.21 C:218 17.93 -11.04 C:143 14.15 -10.62 C:157 15.37 -11.36 C:35 18.36 -7.44 C:67 15.37 -12.81 C:78 10.42 -12.81 C:39 11.64 -13.50 C:46 17.93 -8.79 C:49 12.87 -12.81 C:39 12.87 -11.36 C:59 16.61 -10.62 C:45 16.61 -9.21 31 1 -2 32 2 -2 27 3 -2 30 4 -2 30 5 -1 33 6 -1 34 7 -2 35 8 -1 9 22 2 10 23 2 11 24 2 12 22 1 28 13 -1 29 14 -1 15 16 1 15 22 1 16 27 1 17 18 1 17 29 1 18 33 1 19 24 1 19 31 1 20 23 1 20 35 1 21 28 1 21 32 1 23 25 1 24 34 1 25 26 2 25 33 1 26 28 1 26 34 1 27 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', 'C27H40O6', 460.301, 'C', 'np01_1121_1', 3278, '', '', '1', 1, NULL, NULL),
(12733, 'Methyl 20(21)-dehydrolucidenate A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C:20](=[CH2:21])[CH2:22][CH2:23][C:24](=O)O[CH3:24001])[CH2:16][C:15](=O)[C@@:14]2([CH3:30])[C:8]4=[C:9]([C:11](=O)[CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]3([H])[CH2:6][C@@H:7]4O', '[H][C@]1(C(=C)CCC(=O)OC)CC(=O)[C@@]2(C)C4=C(C(=O)C[C@]12C)[C@@]3(C)CCC(=O)[C@@](C)(C)[C@]3([H])C[C@@H]4O', '[H][C@:47]1([C:146](=[CH2:112])[CH2:32][CH2:33][C:173](=O)O[CH3:52])[CH2:40][C:216](=O)[C@@:58]2([CH3:25])[C:160]4=[C:141]([C:198](=O)[CH2:50][C@:46]12[CH3:19])[C@@:39]3([CH3:19])[CH2:36][CH2:35][C:216](=O)[C@@:47]([CH3:21])([CH3:27])[C@:49]3([H])[CH2:29][C@@H:66]4O', '36 39 H 17.03 -9.78 H 12.15 -13.91 C:21 16.73 -6.39 C:24001 23.70 -8.67 C:29 10.13 -14.73 C:28 11.64 -14.73 C:19 12.15 -9.94 C:30 15.92 -12.11 C:18 15.92 -7.82 O 21.85 -6.58 O 12.22 -8.55 O 8.51 -13.55 O 17.65 -12.38 O 15.84 -13.55 C:22 19.07 -7.16 C:23 20.00 -8.20 C:2 9.69 -11.38 C:1 10.92 -10.63 C:16 18.06 -9.94 C:12 14.66 -8.55 C:6 13.42 -13.55 O 22.33 -8.95 C:20 17.65 -7.46 C:24 21.39 -7.91 C:11 13.42 -9.23 C:3 9.69 -12.83 C:15 17.22 -11.06 C:9 13.42 -10.63 C:8 14.66 -11.38 C:7 14.66 -12.83 C:4 10.92 -13.55 C:17 17.22 -8.80 C:5 12.15 -12.83 C:10 12.15 -11.38 C:14 15.92 -10.63 C:13 15.92 -9.23 32 1 -2 33 2 -2 3 23 2 4 22 1 31 5 -1 31 6 -2 34 7 -1 35 8 -2 36 9 -1 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -1 15 16 1 15 23 1 16 24 1 17 18 1 17 26 1 18 34 1 19 27 1 19 32 1 20 25 1 20 36 1 21 30 1 21 33 1 22 24 1 23 32 1 25 28 1 26 31 1 27 35 1 28 29 2 28 34 1 29 30 1 29 35 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 17.03 -9.78 H 12.15 -13.91 C 16.73 -6.39 C 23.70 -8.67 C 10.13 -14.73 C 11.64 -14.73 C 12.15 -9.94 C 15.92 -12.11 C 15.92 -7.82 O 21.85 -6.58 O 12.22 -8.55 O 8.51 -13.55 O 17.65 -12.38 O 15.84 -13.55 C 19.07 -7.16 C 20.00 -8.20 C 9.69 -11.38 C 10.92 -10.63 C 18.06 -9.94 C 14.66 -8.55 C 13.42 -13.55 O 22.33 -8.95 C 17.65 -7.46 C 21.39 -7.91 C 13.42 -9.23 C 9.69 -12.83 C 17.22 -11.06 C 13.42 -10.63 C 14.66 -11.38 C 14.66 -12.83 C 10.92 -13.55 C 17.22 -8.80 C 12.15 -12.83 C 12.15 -11.38 C 15.92 -10.63 C 15.92 -9.23 32 1 -2 33 2 -2 3 23 2 4 22 1 31 5 -1 31 6 -2 34 7 -1 35 8 -2 36 9 -1 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -1 15 16 1 15 23 1 16 24 1 17 18 1 17 26 1 18 34 1 19 27 1 19 32 1 20 25 1 20 36 1 21 30 1 21 33 1 22 24 1 23 32 1 25 28 1 26 31 1 27 35 1 28 29 2 28 34 1 29 30 1 29 35 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 17.03 -9.78 H 12.15 -13.91 C:112 16.73 -6.39 C:52 23.70 -8.67 C:21 10.13 -14.73 C:27 11.64 -14.73 C:19 12.15 -9.94 C:25 15.92 -12.11 C:19 15.92 -7.82 O 21.85 -6.58 O 12.22 -8.55 O 8.51 -13.55 O 17.65 -12.38 O 15.84 -13.55 C:32 19.07 -7.16 C:33 20.00 -8.20 C:35 9.69 -11.38 C:36 10.92 -10.63 C:40 18.06 -9.94 C:50 14.66 -8.55 C:29 13.42 -13.55 O 22.33 -8.95 C:146 17.65 -7.46 C:173 21.39 -7.91 C:198 13.42 -9.23 C:216 9.69 -12.83 C:216 17.22 -11.06 C:141 13.42 -10.63 C:160 14.66 -11.38 C:66 14.66 -12.83 C:47 10.92 -13.55 C:47 17.22 -8.80 C:49 12.15 -12.83 C:39 12.15 -11.38 C:58 15.92 -10.63 C:46 15.92 -9.23 32 1 -2 33 2 -2 3 23 2 4 22 1 31 5 -1 31 6 -2 34 7 -1 35 8 -2 36 9 -1 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -1 15 16 1 15 23 1 16 24 1 17 18 1 17 26 1 18 34 1 19 27 1 19 32 1 20 25 1 20 36 1 21 30 1 21 33 1 22 24 1 23 32 1 25 28 1 26 31 1 27 35 1 28 29 2 28 34 1 29 30 1 29 35 1 31 33 1 32 36 1 33 34 1 35 36 1', 'C28H38O6', 470.312, 'C', 'np05_559_2', 3279, '', '', '1', 1, NULL, NULL),
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(12742, 'Sarcophytonolide D', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:14002][C:14001](=O)O[C@H:14]2[CH2:13][C:12]([CH3:20])=[CH:11][CH2:10][CH2:9][C:8]([CH3:19])=[CH:7][C:6](=O)[CH2:5][C:4]1=[CH:3][C@H:2](O[C:18]1=O)[C@H:1]2[CH:15]([CH3:17])[CH3:16]', 'CC(=O)O[C@H]2CC(C)=CCCC(C)=CC(=O)CC1=C[C@H](OC1=O)[C@H]2C(C)C', '[CH3:21][C:171](=O)O[C@H:72]2[CH2:41][C:132]([CH3:18])=[CH:125][CH2:25][CH2:31][C:159]([CH3:23])=[CH:9999][C:196](=O)[CH2:40][C:129]1=[CH:152][C@H:81](O[C:173]1=O)[C@H:51]2[CH:26]([CH3:25])[CH3:19]', '27 28 C:14002 20.91 -14.71 C:20 16.41 -13.85 C:19 10.88 -11.08 C:17 21.39 -9.55 C:16 21.39 -11.93 O 21.31 -12.62 O 13.96 -7.17 O 16.24 -6.45 C:11 14.81 -12.05 C:7 12.41 -9.12 C:3 17.08 -9.95 C:10 13.58 -12.77 C:9 13.20 -11.40 C:5 14.81 -9.37 C:13 17.20 -11.61 O 19.03 -13.16 O 18.43 -8.10 C:14001 20.40 -13.50 C:12 16.12 -12.48 C:8 12.17 -10.53 C:6 13.69 -8.55 C:18 16.87 -7.71 C:4 16.12 -8.94 C:15 20.73 -10.73 C:2 18.43 -9.55 C:14 18.53 -11.86 C:1 19.34 -10.73 1 18 1 2 19 1 3 20 1 4 24 1 5 24 1 6 18 2 7 21 2 8 22 2 9 12 1 9 19 2 10 20 2 10 21 1 11 23 2 11 25 1 12 13 1 13 20 1 14 21 1 14 23 1 15 19 1 15 26 1 16 18 1 26 16 -1 17 22 1 25 17 -2 22 23 1 27 24 -1 25 27 1 26 27 1', '27 28 C 20.91 -14.71 C 16.41 -13.85 C 10.88 -11.08 C 21.39 -9.55 C 21.39 -11.93 O 21.31 -12.62 O 13.96 -7.17 O 16.24 -6.45 C 14.81 -12.05 C 12.41 -9.12 C 17.08 -9.95 C 13.58 -12.77 C 13.20 -11.40 C 14.81 -9.37 C 17.20 -11.61 O 19.03 -13.16 O 18.43 -8.10 C 20.40 -13.50 C 16.12 -12.48 C 12.17 -10.53 C 13.69 -8.55 C 16.87 -7.71 C 16.12 -8.94 C 20.73 -10.73 C 18.43 -9.55 C 18.53 -11.86 C 19.34 -10.73 1 18 1 2 19 1 3 20 1 4 24 1 5 24 1 6 18 2 7 21 2 8 22 2 9 12 1 9 19 2 10 20 2 10 21 1 11 23 2 11 25 1 12 13 1 13 20 1 14 21 1 14 23 1 15 19 1 15 26 1 16 18 1 26 16 -1 17 22 1 25 17 -2 22 23 1 27 24 -1 25 27 1 26 27 1', '27 28 C:21 20.91 -14.71 C:18 16.41 -13.85 C:23 10.88 -11.08 C:25 21.39 -9.55 C:19 21.39 -11.93 O 21.31 -12.62 O 13.96 -7.17 O 16.24 -6.45 C:125 14.81 -12.05 C 12.41 -9.12 C:152 17.08 -9.95 C:25 13.58 -12.77 C:31 13.20 -11.40 C:40 14.81 -9.37 C:41 17.20 -11.61 O 19.03 -13.16 O 18.43 -8.10 C:171 20.40 -13.50 C:132 16.12 -12.48 C:159 12.17 -10.53 C:196 13.69 -8.55 C:173 16.87 -7.71 C:129 16.12 -8.94 C:26 20.73 -10.73 C:81 18.43 -9.55 C:72 18.53 -11.86 C:51 19.34 -10.73 1 18 1 2 19 1 3 20 1 4 24 1 5 24 1 6 18 2 7 21 2 8 22 2 9 12 1 9 19 2 10 20 2 10 21 1 11 23 2 11 25 1 12 13 1 13 20 1 14 21 1 14 23 1 15 19 1 15 26 1 16 18 1 26 16 -1 17 22 1 25 17 -2 22 23 1 27 24 -1 25 27 1 26 27 1', 'C22H30O5', 374.232, 'C', 'hca05_1028_4', 3280, '', '', '1', 45, NULL, NULL),
(12743, '17-Dimethylaminolobohedleolide', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@:2]12[CH:3]=[C:4]([CH3:18])[CH2:5][CH2:6][CH:7]=[C:8]([C:19](=O)O)[CH2:9][CH2:10][CH:11]=[C:12]([CH3:20])[CH2:13][CH2:14][C@@:1]1([H])[C@H:15]([CH2:17]N([CH3:17001])[CH3:17002])[C:16](=O)O2', '[H][C@]12C=C(C)CCC=C(C(=O)O)CCC=C(C)CC[C@@]1([H])[C@H](CN(C)C)C(=O)O2', '[H][C@:81]12[CH:120]=[C:145]([CH3:15])[CH2:41][CH2:27][CH:145]=[C:132]([C:171](=O)O)[CH2:37][CH2:26][CH:124]=[C:136]([CH3:16])[CH2:37][CH2:28][C@@:44]1([H])[C@H:40]([CH2:58]N([CH3:43])[CH3:46])[C:179](=O)O2', '29 30 H 15.80 -8.61 H 17.90 -11.32 C:20 14.22 -13.85 C:18 14.22 -7.28 C:17001 22.17 -11.07 C:17002 20.95 -8.82 O 12.84 -9.66 O 19.75 -7.87 O 12.84 -11.49 C:11 12.51 -11.96 C:7 10.13 -9.16 C:3 15.01 -9.66 C:10 11.32 -12.83 C:6 11.32 -8.31 C:5 12.51 -9.16 C:9 10.13 -11.96 C:13 15.01 -11.49 C:14 16.42 -11.76 C:17 19.75 -10.95 O 17.28 -8.23 C:12 13.91 -12.41 C:4 13.91 -8.72 C:19 12.07 -10.55 C:16 18.62 -8.72 C:8 10.58 -10.55 C:15 18.62 -10.12 N 20.95 -10.31 C:2 16.42 -9.35 C:1 17.28 -10.55 28 1 -1 29 2 -1 3 21 1 4 22 1 5 27 1 6 27 1 7 23 2 8 24 2 9 23 1 10 13 1 10 21 2 11 14 1 11 25 2 12 22 2 12 28 1 13 16 1 14 15 1 15 22 1 16 25 1 17 18 1 17 21 1 18 29 1 26 19 -1 19 27 1 20 24 1 20 28 1 23 25 1 24 26 1 26 29 1 28 29 1', '29 30 H 15.80 -8.61 H 17.90 -11.32 C 14.22 -13.85 C 14.22 -7.28 C 22.17 -11.07 C 20.95 -8.82 O 12.84 -9.66 O 19.75 -7.87 O 12.84 -11.49 C 12.51 -11.96 C 10.13 -9.16 C 15.01 -9.66 C 11.32 -12.83 C 11.32 -8.31 C 12.51 -9.16 C 10.13 -11.96 C 15.01 -11.49 C 16.42 -11.76 C 19.75 -10.95 O 17.28 -8.23 C 13.91 -12.41 C 13.91 -8.72 C 12.07 -10.55 C 18.62 -8.72 C 10.58 -10.55 C 18.62 -10.12 N 20.95 -10.31 C 16.42 -9.35 C 17.28 -10.55 28 1 -1 29 2 -1 3 21 1 4 22 1 5 27 1 6 27 1 7 23 2 8 24 2 9 23 1 10 13 1 10 21 2 11 14 1 11 25 2 12 22 2 12 28 1 13 16 1 14 15 1 15 22 1 16 25 1 17 18 1 17 21 1 18 29 1 26 19 -1 19 27 1 20 24 1 20 28 1 23 25 1 24 26 1 26 29 1 28 29 1', '29 30 H 15.80 -8.61 H 17.90 -11.32 C:16 14.22 -13.85 C:15 14.22 -7.28 C:43 22.17 -11.07 C:46 20.95 -8.82 O 12.84 -9.66 O 19.75 -7.87 O 12.84 -11.49 C:124 12.51 -11.96 C:145 10.13 -9.16 C:120 15.01 -9.66 C:26 11.32 -12.83 C:27 11.32 -8.31 C:41 12.51 -9.16 C:37 10.13 -11.96 C:37 15.01 -11.49 C:28 16.42 -11.76 C:58 19.75 -10.95 O 17.28 -8.23 C:136 13.91 -12.41 C:145 13.91 -8.72 C:171 12.07 -10.55 C:179 18.62 -8.72 C:132 10.58 -10.55 C:40 18.62 -10.12 N 20.95 -10.31 C:81 16.42 -9.35 C:44 17.28 -10.55 28 1 -1 29 2 -1 3 21 1 4 22 1 5 27 1 6 27 1 7 23 2 8 24 2 9 23 1 10 13 1 10 21 2 11 14 1 11 25 2 12 22 2 12 28 1 13 16 1 14 15 1 15 22 1 16 25 1 17 18 1 17 21 1 18 29 1 26 19 -1 19 27 1 20 24 1 20 28 1 23 25 1 24 26 1 26 29 1 28 29 1', 'C22H33NO4', 375.256, 'M', 'np00_531_3', 3281, '', '', '1', 45, NULL, NULL),
(12744, 'Capillolide', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@:1]12[CH2:2][CH2:3][C@@:4]([CH3:18])(O[C:16](=O)[C:15]1=[CH2:17])[C@H:5](O)[CH2:6][CH2:7][C:8]([CH3:19])=[CH:9][CH2:10][CH2:11][C@:12]([CH3:20])(O)[C@@H:13](O)[CH2:14]2', '[H][C@]12CC[C@@](C)(OC(=O)C1=C)[C@H](O)CCC(C)=CCC[C@](C)(O)[C@@H](O)C2', '[H][C@:36]12[CH2:36][CH2:32][C@@:87]([CH3:23])(O[C:169](=O)[C:142]1=[CH2:125])[C@H:68](O)[CH2:30][CH2:37][C:136]([CH3:16])=[CH:127][CH2:22][CH2:38][C@:75]([CH3:24])(O)[C@@H:73](O)[CH2:29]2', '26 27 H 16.88 -13.41 C:17 19.07 -13.41 C:19 12.00 -8.15 C:20 13.96 -14.35 C:18 18.32 -7.47 O 20.31 -11.92 O 16.88 -6.76 O 14.45 -10.97 O 12.56 -14.35 C:9 13.23 -10.27 C:10 12.00 -10.97 C:7 14.45 -8.15 C:6 15.66 -8.85 C:11 12.00 -12.40 C:2 16.88 -10.97 C:3 18.16 -10.27 C:14 15.66 -13.10 O 19.22 -9.74 C:8 13.23 -8.85 C:15 18.16 -12.19 C:16 19.22 -11.13 C:5 16.88 -8.15 C:13 14.45 -12.40 C:1 16.88 -12.40 C:12 13.23 -13.10 C:4 18.16 -8.85 24 1 -2 2 20 2 3 19 1 25 4 -2 26 5 -1 6 21 2 22 7 -1 23 8 -1 25 9 -1 10 11 1 10 19 2 11 14 1 12 13 1 12 19 1 13 22 1 14 25 1 15 16 1 15 24 1 16 26 1 17 23 1 17 24 1 18 21 1 26 18 -2 20 21 1 20 24 1 22 26 1 23 25 1', '26 27 H 16.88 -13.41 C 19.07 -13.41 C 12.00 -8.15 C 13.96 -14.35 C 18.32 -7.47 O 20.31 -11.92 O 16.88 -6.76 O 14.45 -10.97 O 12.56 -14.35 C 13.23 -10.27 C 12.00 -10.97 C 14.45 -8.15 C 15.66 -8.85 C 12.00 -12.40 C 16.88 -10.97 C 18.16 -10.27 C 15.66 -13.10 O 19.22 -9.74 C 13.23 -8.85 C 18.16 -12.19 C 19.22 -11.13 C 16.88 -8.15 C 14.45 -12.40 C 16.88 -12.40 C 13.23 -13.10 C 18.16 -8.85 24 1 -2 2 20 2 3 19 1 25 4 -2 26 5 -1 6 21 2 22 7 -1 23 8 -1 25 9 -1 10 11 1 10 19 2 11 14 1 12 13 1 12 19 1 13 22 1 14 25 1 15 16 1 15 24 1 16 26 1 17 23 1 17 24 1 18 21 1 26 18 -2 20 21 1 20 24 1 22 26 1 23 25 1', '26 27 H 16.88 -13.41 C:125 19.07 -13.41 C:16 12.00 -8.15 C:24 13.96 -14.35 C:23 18.32 -7.47 O 20.31 -11.92 O 16.88 -6.76 O 14.45 -10.97 O 12.56 -14.35 C:127 13.23 -10.27 C:22 12.00 -10.97 C:37 14.45 -8.15 C:30 15.66 -8.85 C:38 12.00 -12.40 C:36 16.88 -10.97 C:32 18.16 -10.27 C:29 15.66 -13.10 O 19.22 -9.74 C:136 13.23 -8.85 C:142 18.16 -12.19 C:169 19.22 -11.13 C:68 16.88 -8.15 C:73 14.45 -12.40 C:36 16.88 -12.40 C:75 13.23 -13.10 C:87 18.16 -8.85 24 1 -2 2 20 2 3 19 1 25 4 -2 26 5 -1 6 21 2 22 7 -1 23 8 -1 25 9 -1 10 11 1 10 19 2 11 14 1 12 13 1 12 19 1 13 22 1 14 25 1 15 16 1 15 24 1 16 26 1 17 23 1 17 24 1 18 21 1 26 18 -2 20 21 1 20 24 1 22 26 1 23 25 1', 'C20H32O5', 352.219, 'C', 'np00_1543_1', 3282, '', '', '1', 45, 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
(12745, 'seco-Bipinnatin J', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[H][C@:10]2([CH2:9][C:8]([CH3:19])=O)[CH:11]=[C:12]([CH2:13][CH2:14][C@@H:1]([C:15](=[CH2:16])[CH3:17])[C@H:2](O)[c:3]1o[c:6]([CH:7]=O)[cH:5][c:4]1[CH3:18])[C:20](=O)O2', '[H][C@]2(CC(C)=O)C=C(CC[C@@H](C(=C)C)[C@H](O)c1oc(C=O)cc1C)C(=O)O2', '[H][C@:77]2([CH2:46][C:204]([CH3:30])=O)[CH:148]=[C:134]([CH2:23][CH2:26][C@@H:52]([C:143](=[CH2:118])[CH3:18])[C@H:67](O)[c:151]1o[c:156]([CH:178]=O)[cH:125][c:121]1[CH3:10])[C:173](=O)O2', '27 28 H 14.71 -14.36 C:16 20.56 -8.34 C:17 20.47 -10.83 C:19 14.10 -11.11 C:18 15.92 -5.75 O 11.68 -9.68 O 11.81 -12.11 O 18.54 -15.38 O 18.40 -7.05 C:7 13.06 -10.01 C:11 16.09 -12.63 C:5 14.10 -7.53 C:13 18.30 -11.90 C:14 17.62 -10.69 C:9 13.83 -13.59 O 16.09 -14.87 O 15.43 -9.35 C:15 19.75 -9.49 C:8 13.25 -12.27 C:20 17.41 -14.49 C:12 17.41 -13.08 C:4 15.43 -7.11 C:6 14.10 -8.90 C:3 16.27 -8.26 C:2 17.62 -8.26 C:1 18.30 -9.49 C:10 15.29 -13.72 27 1 -2 2 18 2 3 18 1 4 19 1 5 22 1 6 10 2 7 19 2 8 20 2 25 9 -1 10 23 1 11 21 2 11 27 1 12 22 1 12 23 2 13 14 1 13 21 1 14 26 1 15 19 1 15 27 1 16 20 1 16 27 1 17 23 1 17 24 1 26 18 -2 20 21 1 22 24 2 24 25 1 25 26 1', '27 28 H 14.71 -14.36 C 20.56 -8.34 C 20.47 -10.83 C 14.10 -11.11 C 15.92 -5.75 O 11.68 -9.68 O 11.81 -12.11 O 18.54 -15.38 O 18.40 -7.05 C 13.06 -10.01 C 16.09 -12.63 C 14.10 -7.53 C 18.30 -11.90 C 17.62 -10.69 C 13.83 -13.59 O 16.09 -14.87 O 15.43 -9.35 C 19.75 -9.49 C 13.25 -12.27 C 17.41 -14.49 C 17.41 -13.08 C 15.43 -7.11 C 14.10 -8.90 C 16.27 -8.26 C 17.62 -8.26 C 18.30 -9.49 C 15.29 -13.72 27 1 -2 2 18 2 3 18 1 4 19 1 5 22 1 6 10 2 7 19 2 8 20 2 25 9 -1 10 23 1 11 21 2 11 27 1 12 22 1 12 23 2 13 14 1 13 21 1 14 26 1 15 19 1 15 27 1 16 20 1 16 27 1 17 23 1 17 24 1 26 18 -2 20 21 1 22 24 2 24 25 1 25 26 1', '27 28 H 14.71 -14.36 C:118 20.56 -8.34 C:18 20.47 -10.83 C:30 14.10 -11.11 C:10 15.92 -5.75 O 11.68 -9.68 O 11.81 -12.11 O 18.54 -15.38 O 18.40 -7.05 C:178 13.06 -10.01 C:148 16.09 -12.63 C:125 14.10 -7.53 C:23 18.30 -11.90 C:26 17.62 -10.69 C:46 13.83 -13.59 O 16.09 -14.87 O 15.43 -9.35 C:143 19.75 -9.49 C:204 13.25 -12.27 C:173 17.41 -14.49 C:134 17.41 -13.08 C:121 15.43 -7.11 C:156 14.10 -8.90 C:151 16.27 -8.26 C:67 17.62 -8.26 C:52 18.30 -9.49 C:77 15.29 -13.72 27 1 -2 2 18 2 3 18 1 4 19 1 5 22 1 6 10 2 7 19 2 8 20 2 25 9 -1 10 23 1 11 21 2 11 27 1 12 22 1 12 23 2 13 14 1 13 21 1 14 26 1 15 19 1 15 27 1 16 20 1 16 27 1 17 23 1 17 24 1 26 18 -2 20 21 1 22 24 2 24 25 1 25 26 1', 'C20H24O6', 360.218, 'C', 'np00_1548_3', 3283, '', '', '1', 45, NULL, NULL),
(12746, 'Bipinnatolide K', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH2:18]=[C:4]4[CH2:5][C:6](=O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@H:10]1O[C:20](=O)[C@:12]2(O[C@@H:11]12)[C@H:13]5[CH2:14][C@@H:1]([C@:15]3([CH3:16])[CH2:17]O3)[C@H:2](O)[C@:3]4(O)O5', 'C=C4CC(=O)C=C(C)C[C@@H]1OC(=O)[C@]2(O[C@@H]12)[C@H]5C[C@@H]([C@]3(C)CO3)[C@H](O)[C@]4(O)O5', '[CH2:119]=[C:143]4[CH2:51][C:199](=O)[CH:126]=[C:148]([CH3:29])[CH2:33][C@@H:78]1O[C:172](=O)[C@:59]2(O[C@@H:59]12)[C@H:63]5[CH2:27][C@@H:42]([C@:58]3([CH3:18])[CH2:52]O3)[C@H:69](O)[C@:97]4(O)O5', '28 32 C:18 16.11 -7.03 C:19 10.19 -10.34 C:16 21.34 -11.51 O 13.51 -6.75 O 16.73 -14.46 O 19.06 -7.86 O 17.48 -8.06 C:7 12.07 -8.96 C:5 14.74 -8.96 C:9 12.46 -11.67 C:17 21.34 -9.06 C:14 18.37 -11.51 O 22.06 -10.28 O 14.35 -13.80 O 16.73 -10.28 O 15.86 -10.68 C:8 11.82 -10.48 C:6 13.51 -8.14 C:4 16.11 -8.53 C:20 15.72 -13.48 C:2 18.48 -9.16 C:10 13.71 -12.49 C:13 17.05 -11.51 C:1 19.20 -10.34 C:11 14.74 -11.51 C:15 20.63 -10.34 C:3 17.14 -9.16 C:12 15.96 -12.07 1 19 2 2 17 1 26 3 -1 4 18 2 5 20 2 21 6 -1 27 7 -1 8 17 2 8 18 1 9 18 1 9 19 1 10 17 1 10 22 1 11 13 1 11 26 1 12 23 1 12 24 1 13 26 1 14 20 1 22 14 -1 23 15 -2 15 27 1 25 16 -2 28 16 -2 19 27 1 20 28 1 21 24 1 21 27 1 22 25 1 23 28 1 24 26 -2 25 28 1', '28 32 C 16.11 -7.03 C 10.19 -10.34 C 21.34 -11.51 O 13.51 -6.75 O 16.73 -14.46 O 19.06 -7.86 O 17.48 -8.06 C 12.07 -8.96 C 14.74 -8.96 C 12.46 -11.67 C 21.34 -9.06 C 18.37 -11.51 O 22.06 -10.28 O 14.35 -13.80 O 16.73 -10.28 O 15.86 -10.68 C 11.82 -10.48 C 13.51 -8.14 C 16.11 -8.53 C 15.72 -13.48 C 18.48 -9.16 C 13.71 -12.49 C 17.05 -11.51 C 19.20 -10.34 C 14.74 -11.51 C 20.63 -10.34 C 17.14 -9.16 C 15.96 -12.07 1 19 2 2 17 1 26 3 -1 4 18 2 5 20 2 21 6 -1 27 7 -1 8 17 2 8 18 1 9 18 1 9 19 1 10 17 1 10 22 1 11 13 1 11 26 1 12 23 1 12 24 1 13 26 1 14 20 1 22 14 -1 23 15 -2 15 27 1 25 16 -2 28 16 -2 19 27 1 20 28 1 21 24 1 21 27 1 22 25 1 23 28 1 24 26 -2 25 28 1', '28 32 C:119 16.11 -7.03 C:29 10.19 -10.34 C:18 21.34 -11.51 O 13.51 -6.75 O 16.73 -14.46 O 19.06 -7.86 O 17.48 -8.06 C:126 12.07 -8.96 C:51 14.74 -8.96 C:33 12.46 -11.67 C:52 21.34 -9.06 C:27 18.37 -11.51 O 22.06 -10.28 O 14.35 -13.80 O 16.73 -10.28 O 15.86 -10.68 C:148 11.82 -10.48 C:199 13.51 -8.14 C:143 16.11 -8.53 C:172 15.72 -13.48 C:69 18.48 -9.16 C:78 13.71 -12.49 C:63 17.05 -11.51 C:42 19.20 -10.34 C:59 14.74 -11.51 C:58 20.63 -10.34 C:97 17.14 -9.16 C:59 15.96 -12.07 1 19 2 2 17 1 26 3 -1 4 18 2 5 20 2 21 6 -1 27 7 -1 8 17 2 8 18 1 9 18 1 9 19 1 10 17 1 10 22 1 11 13 1 11 26 1 12 23 1 12 24 1 13 26 1 14 20 1 22 14 -1 23 15 -2 15 27 1 25 16 -2 28 16 -2 19 27 1 20 28 1 21 24 1 21 27 1 22 25 1 23 28 1 24 26 -2 25 28 1', 'C20H24O8', 392.209, 'C', 'np00_1548_4', 3283, '', '', '1', 45, NULL, NULL),
(12747, 'Flaccidoxide-13-acetate', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:14002][C:14001](=O)O[C@H:14]2[C:1]([CH:15]([CH3:17])[CH3:16])=[CH:2][CH:3]=[C:4]([CH3:18])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:19])[CH2:9][CH2:10][C@H:11]1O[C@@:12]1([CH3:20])[C@@H:13]2O[C:13001]([CH3:13002])=O', 'CC(=O)O[C@H]2C(C(C)C)=CC=C(C)CCC=C(C)CC[C@H]1O[C@@]1(C)[C@@H]2OC(C)=O', '[CH3:21][C:169](=O)O[C@H:69]2[C:140]([CH:28]([CH3:25])[CH3:25])=[CH:125][CH:121]=[C:140]([CH3:16])[CH2:40][CH2:26][CH:126]=[C:134]([CH3:15])[CH2:37][CH2:25][C@H:58]1O[C@@:60]1([CH3:17])[C@@H:73]2O[C:171]([CH3:21])=O', '29 30 C:14002 14.34 -8.47 C:13002 14.34 -15.46 C:18 16.75 -9.87 C:19 14.34 -5.66 C:17 19.18 -14.06 C:16 16.75 -14.06 C:20 13.12 -11.96 O 16.75 -8.47 O 13.12 -13.36 C:3 19.18 -9.87 C:2 19.18 -11.27 C:7 15.55 -7.77 C:6 16.75 -7.06 C:5 17.96 -7.77 C:9 13.12 -7.77 C:10 13.12 -9.17 O 15.55 -10.57 O 15.55 -13.36 O 13.12 -10.57 C:14001 15.55 -9.17 C:13001 14.34 -14.06 C:4 17.96 -9.17 C:8 14.34 -7.06 C:1 17.96 -11.96 C:15 17.96 -13.36 C:11 14.34 -9.87 C:14 16.75 -11.27 C:13 15.55 -11.96 C:12 14.34 -11.27 1 20 1 2 21 1 3 22 1 4 23 1 5 25 1 6 25 1 29 7 -1 8 20 2 9 21 2 10 11 1 10 22 2 11 24 2 12 13 1 12 23 2 13 14 1 14 22 1 15 16 1 15 23 1 16 26 1 17 20 1 27 17 -1 18 21 1 28 18 -1 26 19 -2 19 29 1 24 25 1 24 27 1 26 29 1 27 28 1 28 29 1', '29 30 C 14.34 -8.47 C 14.34 -15.46 C 16.75 -9.87 C 14.34 -5.66 C 19.18 -14.06 C 16.75 -14.06 C 13.12 -11.96 O 16.75 -8.47 O 13.12 -13.36 C 19.18 -9.87 C 19.18 -11.27 C 15.55 -7.77 C 16.75 -7.06 C 17.96 -7.77 C 13.12 -7.77 C 13.12 -9.17 O 15.55 -10.57 O 15.55 -13.36 O 13.12 -10.57 C 15.55 -9.17 C 14.34 -14.06 C 17.96 -9.17 C 14.34 -7.06 C 17.96 -11.96 C 17.96 -13.36 C 14.34 -9.87 C 16.75 -11.27 C 15.55 -11.96 C 14.34 -11.27 1 20 1 2 21 1 3 22 1 4 23 1 5 25 1 6 25 1 29 7 -1 8 20 2 9 21 2 10 11 1 10 22 2 11 24 2 12 13 1 12 23 2 13 14 1 14 22 1 15 16 1 15 23 1 16 26 1 17 20 1 27 17 -1 18 21 1 28 18 -1 26 19 -2 19 29 1 24 25 1 24 27 1 26 29 1 27 28 1 28 29 1', '29 30 C:21 14.34 -8.47 C:21 14.34 -15.46 C:16 16.75 -9.87 C:15 14.34 -5.66 C:25 19.18 -14.06 C:25 16.75 -14.06 C:17 13.12 -11.96 O 16.75 -8.47 O 13.12 -13.36 C:121 19.18 -9.87 C:125 19.18 -11.27 C:126 15.55 -7.77 C:26 16.75 -7.06 C:40 17.96 -7.77 C:37 13.12 -7.77 C:25 13.12 -9.17 O 15.55 -10.57 O 15.55 -13.36 O 13.12 -10.57 C:169 15.55 -9.17 C:171 14.34 -14.06 C:140 17.96 -9.17 C:134 14.34 -7.06 C:140 17.96 -11.96 C:28 17.96 -13.36 C:58 14.34 -9.87 C:69 16.75 -11.27 C:73 15.55 -11.96 C:60 14.34 -11.27 1 20 1 2 21 1 3 22 1 4 23 1 5 25 1 6 25 1 29 7 -1 8 20 2 9 21 2 10 11 1 10 22 2 11 24 2 12 13 1 12 23 2 13 14 1 14 22 1 15 16 1 15 23 1 16 26 1 17 20 1 27 17 -1 18 21 1 28 18 -1 26 19 -2 19 29 1 24 25 1 24 27 1 26 29 1 27 28 1 28 29 1', 'C24H36O5', 404.254, 'C', 'np00_1551_3', 3284, '', '', '1', 45, 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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(12779, '7,8-Dihydroflabellatene B', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:16][CH:15]([CH3:17])[C:1]2=[CH:2][C@@H:3]1O[C@:4]1([CH3:18])[CH2:5][CH2:6][CH2:7][C@@H:8]([CH2:19]O)[C:9](=O)[CH2:10][CH2:11][C@@H:12]([CH3:20])[C@@H:13](O)[C:14]2=O', 'CC(C)C2=C[C@@H]1O[C@]1(C)CCC[C@@H](CO)C(=O)CC[C@@H](C)[C@@H](O)C2=O', '[CH3:20][CH:29]([CH3:23])[C:150]2=[CH:135][C@@H:58]1O[C@:64]1([CH3:23])[CH2:36][CH2:24][CH2:29][C@@H:57]([CH2:64]O)[C:212](=O)[CH2:35][CH2:26][C@@H:36]([CH3:14])[C@@H:74](O)[C:205]2=O', '25 26 C:16 14.31 -15.15 C:17 16.74 -15.15 C:20 11.89 -10.95 C:18 20.37 -13.05 O 15.52 -10.26 O 13.09 -13.05 O 17.95 -6.06 O 13.09 -11.65 C:2 16.74 -12.35 C:19 16.74 -6.76 C:6 17.95 -10.26 C:10 14.31 -8.16 C:7 17.95 -8.86 C:11 13.09 -8.86 C:5 19.16 -10.95 O 19.16 -13.75 C:9 15.52 -8.86 C:14 14.31 -12.35 C:1 15.52 -13.05 C:15 15.52 -14.45 C:12 13.09 -10.26 C:13 14.31 -10.95 C:8 16.74 -8.16 C:3 17.95 -13.05 C:4 19.16 -12.35 1 20 1 2 20 1 21 3 -2 25 4 -2 5 17 2 6 18 2 7 10 1 22 8 -2 9 19 2 9 24 1 23 10 -2 11 13 1 11 15 1 12 14 1 12 17 1 13 23 1 14 21 1 15 25 1 24 16 -1 16 25 1 17 23 1 18 19 1 18 22 1 19 20 1 21 22 1 24 25 1', '25 26 C 14.31 -15.15 C 16.74 -15.15 C 11.89 -10.95 C 20.37 -13.05 O 15.52 -10.26 O 13.09 -13.05 O 17.95 -6.06 O 13.09 -11.65 C 16.74 -12.35 C 16.74 -6.76 C 17.95 -10.26 C 14.31 -8.16 C 17.95 -8.86 C 13.09 -8.86 C 19.16 -10.95 O 19.16 -13.75 C 15.52 -8.86 C 14.31 -12.35 C 15.52 -13.05 C 15.52 -14.45 C 13.09 -10.26 C 14.31 -10.95 C 16.74 -8.16 C 17.95 -13.05 C 19.16 -12.35 1 20 1 2 20 1 21 3 -2 25 4 -2 5 17 2 6 18 2 7 10 1 22 8 -2 9 19 2 9 24 1 23 10 -2 11 13 1 11 15 1 12 14 1 12 17 1 13 23 1 14 21 1 15 25 1 24 16 -1 16 25 1 17 23 1 18 19 1 18 22 1 19 20 1 21 22 1 24 25 1', '25 26 C:20 14.31 -15.15 C:23 16.74 -15.15 C:14 11.89 -10.95 C:23 20.37 -13.05 O 15.52 -10.26 O 13.09 -13.05 O 17.95 -6.06 O 13.09 -11.65 C:135 16.74 -12.35 C:64 16.74 -6.76 C:24 17.95 -10.26 C:35 14.31 -8.16 C:29 17.95 -8.86 C:26 13.09 -8.86 C:36 19.16 -10.95 O 19.16 -13.75 C:212 15.52 -8.86 C:205 14.31 -12.35 C:150 15.52 -13.05 C:29 15.52 -14.45 C:36 13.09 -10.26 C:74 14.31 -10.95 C:57 16.74 -8.16 C:58 17.95 -13.05 C:64 19.16 -12.35 1 20 1 2 20 1 21 3 -2 25 4 -2 5 17 2 6 18 2 7 10 1 22 8 -2 9 19 2 9 24 1 23 10 -2 11 13 1 11 15 1 12 14 1 12 17 1 13 23 1 14 21 1 15 25 1 24 16 -1 16 25 1 17 23 1 18 19 1 18 22 1 19 20 1 21 22 1 24 25 1', 'C20H32O5', 352.211, 'C', 'np04_1190_2', 3291, '', '', '1', 45, 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
(12780, '', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:17][C:15]2=[C:1]1[CH2:14][CH2:13][C@@:12]([CH3:20])(O)[CH2:11][CH2:10][CH2:9][C@@:8]([CH3:19])(O)[C@H:7]3[CH2:6][CH2:5][C@@:4]([CH3:18])([CH2:3][C@@H:2]1O[C:16]2=O)O3', 'CC2=C1CC[C@@](C)(O)CCC[C@@](C)(O)[C@H]3CC[C@@](C)(C[C@@H]1OC2=O)O3', '[CH3:9][C:124]2=[C:164]1[CH2:26][CH2:39][C@@:73]([CH3:30])(O)[CH2:38][CH2:19][CH2:36][C@@:73]([CH3:25])(O)[C@H:89]3[CH2:21][CH2:40][C@@:82]([CH3:28])([CH2:45][C@@H:79]1O[C:175]2=O)O3', '25 27 C:17 16.17 -14.64 C:20 12.51 -12.75 C:18 20.43 -10.16 C:19 16.33 -6.16 O 19.20 -14.97 O 11.82 -11.33 O 14.93 -6.16 C:10 14.42 -9.46 C:14 15.62 -11.54 C:6 18.04 -7.37 C:11 13.22 -10.16 C:9 14.42 -8.07 C:13 14.42 -12.24 C:5 19.20 -8.07 C:3 18.04 -10.16 O 19.07 -12.48 O 17.64 -9.22 C:15 17.11 -13.61 C:16 18.50 -13.76 C:1 16.82 -12.24 C:2 18.04 -11.54 C:7 16.82 -8.07 C:12 13.22 -11.54 C:4 19.20 -9.46 C:8 15.62 -7.37 1 18 1 23 2 -2 24 3 -2 25 4 -2 5 19 2 23 6 -1 25 7 -1 8 11 1 8 12 1 9 13 1 9 20 1 10 14 1 10 22 1 11 23 1 12 25 1 13 23 1 14 24 1 15 21 1 15 24 1 16 19 1 21 16 -2 22 17 -1 17 24 1 18 19 1 18 20 2 20 21 1 22 25 1', '25 27 C 16.17 -14.64 C 12.51 -12.75 C 20.43 -10.16 C 16.33 -6.16 O 19.20 -14.97 O 11.82 -11.33 O 14.93 -6.16 C 14.42 -9.46 C 15.62 -11.54 C 18.04 -7.37 C 13.22 -10.16 C 14.42 -8.07 C 14.42 -12.24 C 19.20 -8.07 C 18.04 -10.16 O 19.07 -12.48 O 17.64 -9.22 C 17.11 -13.61 C 18.50 -13.76 C 16.82 -12.24 C 18.04 -11.54 C 16.82 -8.07 C 13.22 -11.54 C 19.20 -9.46 C 15.62 -7.37 1 18 1 23 2 -2 24 3 -2 25 4 -2 5 19 2 23 6 -1 25 7 -1 8 11 1 8 12 1 9 13 1 9 20 1 10 14 1 10 22 1 11 23 1 12 25 1 13 23 1 14 24 1 15 21 1 15 24 1 16 19 1 21 16 -2 22 17 -1 17 24 1 18 19 1 18 20 2 20 21 1 22 25 1', '25 27 C:9 16.17 -14.64 C:30 12.51 -12.75 C:28 20.43 -10.16 C:25 16.33 -6.16 O 19.20 -14.97 O 11.82 -11.33 O 14.93 -6.16 C:19 14.42 -9.46 C:26 15.62 -11.54 C:21 18.04 -7.37 C:38 13.22 -10.16 C:36 14.42 -8.07 C:39 14.42 -12.24 C:40 19.20 -8.07 C:45 18.04 -10.16 O 19.07 -12.48 O 17.64 -9.22 C:124 17.11 -13.61 C:175 18.50 -13.76 C:164 16.82 -12.24 C:79 18.04 -11.54 C:89 16.82 -8.07 C:73 13.22 -11.54 C:82 19.20 -9.46 C:73 15.62 -7.37 1 18 1 23 2 -2 24 3 -2 25 4 -2 5 19 2 23 6 -1 25 7 -1 8 11 1 8 12 1 9 13 1 9 20 1 10 14 1 10 22 1 11 23 1 12 25 1 13 23 1 14 24 1 15 21 1 15 24 1 16 19 1 21 16 -2 22 17 -1 17 24 1 18 19 1 18 20 2 20 21 1 22 25 1', 'C20H32O5', 352.211, 'C', 'np04_2017_5', 3292, '', '', '1', 45, NULL, NULL),
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(12799, 'Microclavatin', '', 'Terpenoids', 'Diterpenoids', 'Casbanes', '[H][C@@:2]23[CH:3]=[C:4]([CH3:18])[C:5](=O)[CH:6]=[CH:7][C@@:8]1([CH3:19])O[C@H:9]1[C:10](=O)[CH2:11][C@@H:12]([CH3:20])[CH2:13][CH2:14][C@:1]2([H])[C@@:15]3([CH3:16])[CH3:17]', '[H][C@@]23C=C(C)C(=O)C=C[C@@]1(C)O[C@H]1C(=O)C[C@@H](C)CC[C@]2([H])[C@@]3(C)C', '[H][C@@:28]23[CH:146]=[C:137]([CH3:12])[C:196](=O)[CH:135]=[CH:138][C@@:62]1([CH3:20])O[C@H:66]1[C:204](=O)[CH2:50][C@@H:30]([CH3:22])[CH2:36][CH2:24][C@:34]2([H])[C@@:27]3([CH3:29])[CH3:16]', '25 27 H 18.33 -7.76 H 15.65 -6.53 C:18 19.84 -9.48 C:20 12.39 -9.48 C:16 17.39 -5.19 C:17 18.62 -5.91 C:19 16.15 -16.00 O 19.84 -12.39 O 16.15 -11.71 C:6 17.39 -12.40 C:7 17.39 -13.83 C:3 17.39 -9.48 C:13 14.89 -9.48 C:14 14.91 -8.08 C:11 13.67 -11.68 O 14.91 -15.24 C:4 18.62 -10.18 C:5 18.62 -11.68 C:10 14.91 -12.40 C:12 13.67 -10.18 C:9 14.89 -13.83 C:15 17.39 -6.64 C:8 16.15 -14.55 C:2 17.39 -8.08 C:1 16.15 -7.36 24 1 -1 25 2 -1 3 17 1 20 4 -1 22 5 -2 22 6 -1 23 7 -2 8 18 2 9 19 2 10 11 2 10 18 1 11 23 1 12 17 2 12 24 1 13 14 1 13 20 1 14 25 1 15 19 1 15 20 1 21 16 -1 16 23 1 17 18 1 19 21 1 21 23 1 22 24 1 22 25 1 24 25 1', '25 27 H 18.33 -7.76 H 15.65 -6.53 C 19.84 -9.48 C 12.39 -9.48 C 17.39 -5.19 C 18.62 -5.91 C 16.15 -16.00 O 19.84 -12.39 O 16.15 -11.71 C 17.39 -12.40 C 17.39 -13.83 C 17.39 -9.48 C 14.89 -9.48 C 14.91 -8.08 C 13.67 -11.68 O 14.91 -15.24 C 18.62 -10.18 C 18.62 -11.68 C 14.91 -12.40 C 13.67 -10.18 C 14.89 -13.83 C 17.39 -6.64 C 16.15 -14.55 C 17.39 -8.08 C 16.15 -7.36 24 1 -1 25 2 -1 3 17 1 20 4 -1 22 5 -2 22 6 -1 23 7 -2 8 18 2 9 19 2 10 11 2 10 18 1 11 23 1 12 17 2 12 24 1 13 14 1 13 20 1 14 25 1 15 19 1 15 20 1 21 16 -1 16 23 1 17 18 1 19 21 1 21 23 1 22 24 1 22 25 1 24 25 1', '25 27 H 18.33 -7.76 H 15.65 -6.53 C:12 19.84 -9.48 C:22 12.39 -9.48 C:29 17.39 -5.19 C:16 18.62 -5.91 C:20 16.15 -16.00 O 19.84 -12.39 O 16.15 -11.71 C:135 17.39 -12.40 C:138 17.39 -13.83 C:146 17.39 -9.48 C:36 14.89 -9.48 C:24 14.91 -8.08 C:50 13.67 -11.68 O 14.91 -15.24 C:137 18.62 -10.18 C:196 18.62 -11.68 C:204 14.91 -12.40 C:30 13.67 -10.18 C:66 14.89 -13.83 C:27 17.39 -6.64 C:62 16.15 -14.55 C:28 17.39 -8.08 C:34 16.15 -7.36 24 1 -1 25 2 -1 3 17 1 20 4 -1 22 5 -2 22 6 -1 23 7 -2 8 18 2 9 19 2 10 11 2 10 18 1 11 23 1 12 17 2 12 24 1 13 14 1 13 20 1 14 25 1 15 19 1 15 20 1 21 16 -1 16 23 1 17 18 1 19 21 1 21 23 1 22 24 1 22 25 1 24 25 1', 'C20H28O3', 316.228, 'C', 'np05_1087_1', 3296, '', '', '1', 45, 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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(12818, 'Bipinnapterolide A', '', 'Terpenoids', 'Diterpenoids', 'Pseudopteranes', '[H][C@@:8]23[CH:9]=[C:10]([CH2:11][CH2:12][C@@H:1]([C:13](=[CH2:14])[CH3:15])[C@H:2](O)[C:3](=O)[C@:4]1([CH3:16])O[C@:5]1([H])[C:6](=O)[C@@H:7]2[C:17](=[CH2:18])[CH3:19])[C:20](=O)O3', '[H][C@@]23C=C(CC[C@@H](C(=C)C)[C@H](O)C(=O)[C@]1(C)O[C@]1([H])C(=O)[C@@H]2C(=C)C)C(=O)O3', '[H][C@@:80]23[CH:146]=[C:138]([CH2:20][CH2:26][C@@H:46]([C:141](=[CH2:118])[CH3:17])[C@H:78](O)[C:209](=O)[C@:69]1([CH3:22])O[C@:64]1([H])[C:198](=O)[C@@H:57]2[C:137](=[CH2:118])[CH3:22])[C:174](=O)O3', '28 30 H 13.07 -11.16 H 14.44 -6.84 C:14 21.04 -9.80 C:18 11.95 -7.95 C:15 21.04 -12.26 C:19 11.19 -10.31 C:16 17.71 -6.48 O 14.80 -14.88 O 16.40 -9.80 O 15.63 -9.80 O 19.60 -8.86 C:9 15.55 -11.16 C:11 17.39 -13.03 C:12 18.48 -12.38 O 13.60 -12.55 O 15.99 -6.27 C:13 20.34 -11.03 C:17 12.23 -9.36 C:20 14.80 -13.43 C:10 15.99 -12.55 C:3 17.26 -8.92 C:6 14.72 -8.92 C:2 18.48 -9.69 C:1 18.91 -11.03 C:7 13.60 -9.80 C:8 14.09 -11.16 C:5 15.26 -7.51 C:4 16.73 -7.51 26 1 -2 27 2 -2 3 17 2 4 18 2 5 17 1 6 18 1 28 7 -2 8 19 2 9 21 2 10 22 2 23 11 -1 12 20 2 12 26 1 13 14 1 13 20 1 14 24 1 15 19 1 15 26 1 16 27 1 16 28 1 24 17 -2 25 18 -1 19 20 1 21 23 1 21 28 1 22 25 1 22 27 1 23 24 1 25 26 1 27 28 1', '28 30 H 13.07 -11.16 H 14.44 -6.84 C 21.04 -9.80 C 11.95 -7.95 C 21.04 -12.26 C 11.19 -10.31 C 17.71 -6.48 O 14.80 -14.88 O 16.40 -9.80 O 15.63 -9.80 O 19.60 -8.86 C 15.55 -11.16 C 17.39 -13.03 C 18.48 -12.38 O 13.60 -12.55 O 15.99 -6.27 C 20.34 -11.03 C 12.23 -9.36 C 14.80 -13.43 C 15.99 -12.55 C 17.26 -8.92 C 14.72 -8.92 C 18.48 -9.69 C 18.91 -11.03 C 13.60 -9.80 C 14.09 -11.16 C 15.26 -7.51 C 16.73 -7.51 26 1 -2 27 2 -2 3 17 2 4 18 2 5 17 1 6 18 1 28 7 -2 8 19 2 9 21 2 10 22 2 23 11 -1 12 20 2 12 26 1 13 14 1 13 20 1 14 24 1 15 19 1 15 26 1 16 27 1 16 28 1 24 17 -2 25 18 -1 19 20 1 21 23 1 21 28 1 22 25 1 22 27 1 23 24 1 25 26 1 27 28 1', '28 30 H 13.07 -11.16 H 14.44 -6.84 C:118 21.04 -9.80 C:118 11.95 -7.95 C:17 21.04 -12.26 C:22 11.19 -10.31 C:22 17.71 -6.48 O 14.80 -14.88 O 16.40 -9.80 O 15.63 -9.80 O 19.60 -8.86 C:146 15.55 -11.16 C:20 17.39 -13.03 C:26 18.48 -12.38 O 13.60 -12.55 O 15.99 -6.27 C:141 20.34 -11.03 C:137 12.23 -9.36 C:174 14.80 -13.43 C:138 15.99 -12.55 C:209 17.26 -8.92 C:198 14.72 -8.92 C:78 18.48 -9.69 C:46 18.91 -11.03 C:57 13.60 -9.80 C:80 14.09 -11.16 C:64 15.26 -7.51 C:69 16.73 -7.51 26 1 -2 27 2 -2 3 17 2 4 18 2 5 17 1 6 18 1 28 7 -2 8 19 2 9 21 2 10 22 2 23 11 -1 12 20 2 12 26 1 13 14 1 13 20 1 14 24 1 15 19 1 15 26 1 16 27 1 16 28 1 24 17 -2 25 18 -1 19 20 1 21 23 1 21 28 1 22 25 1 22 27 1 23 24 1 25 26 1 27 28 1', 'C20H24O6', 360.226, 'C', 'np99_1228_5', 3303, '', '', '1', 45, 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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(12820, 'Bipinnatin H', '', 'Terpenoids', 'Diterpenoids', 'Cembranes', '[CH3:13002][C:13001](=O)O[C@@H:13]4[CH2:14][C@@H:1]([C@:15]1([CH3:17])[CH2:16]O1)[C@H:2](O[C:2001]([CH3:2002])=O)[c:3]2o[c:6]([cH:5][c:4]2[CH3:18])[C@H:7]3O[C@@:8]3([CH3:19])[CH2:9][C@H:10]5[CH:11]=[C:12]4[C:20](=O)O5', 'CC(=O)O[C@@H]4C[C@@H]([C@]1(C)CO1)[C@H](OC(C)=O)c2oc(cc2C)[C@H]3O[C@@]3(C)C[C@H]5C=C4C(=O)O5', '[CH3:21][C:170](=O)O[C@@H:68]4[CH2:30][C@@H:39]([C@:57]1([CH3:23])[CH2:51]O1)[C@H:68](O[C:170]([CH3:21])=O)[c:146]2o[c:149]([cH:109][c:121]2[CH3:10])[C@H:56]3O[C@@:57]3([CH3:20])[CH2:40][C@H:78]5[CH:151]=[C:134]4[C:170](=O)O5', '33 37 C:13002 19.55 -15.07 C:2002 20.02 -5.70 C:18 16.45 -5.48 C:17 19.45 -11.63 C:19 14.59 -10.22 O 17.11 -15.07 O 17.87 -5.90 O 15.55 -15.64 C:11 15.13 -12.02 C:5 14.33 -6.75 C:16 20.16 -9.31 C:14 16.77 -10.87 C:9 12.72 -11.56 O 20.45 -10.67 O 18.33 -12.96 O 13.79 -13.86 O 18.80 -7.81 O 11.82 -9.93 O 15.00 -8.88 C:13001 18.33 -14.37 C:2001 18.80 -6.40 C:20 15.13 -14.31 C:12 15.95 -13.15 C:4 15.72 -6.75 C:6 13.89 -8.05 C:3 16.14 -8.05 C:10 13.79 -12.48 C:13 17.05 -12.34 C:2 17.48 -8.48 C:7 12.72 -8.88 C:1 17.78 -9.83 C:15 19.13 -10.22 C:8 13.18 -10.22 1 20 1 2 21 1 3 24 1 32 4 -1 33 5 -1 6 20 2 7 21 2 8 22 2 9 23 2 9 27 1 10 24 1 10 25 2 11 14 1 11 32 1 12 28 1 12 31 1 13 27 1 13 33 1 14 32 1 15 20 1 28 15 -1 16 22 1 27 16 -1 17 21 1 29 17 -1 30 18 -2 18 33 1 19 25 1 19 26 1 22 23 1 23 28 1 24 26 2 25 30 1 26 29 1 29 31 1 30 33 1 31 32 -2', '33 37 C 19.55 -15.07 C 20.02 -5.70 C 16.45 -5.48 C 19.45 -11.63 C 14.59 -10.22 O 17.11 -15.07 O 17.87 -5.90 O 15.55 -15.64 C 15.13 -12.02 C 14.33 -6.75 C 20.16 -9.31 C 16.77 -10.87 C 12.72 -11.56 O 20.45 -10.67 O 18.33 -12.96 O 13.79 -13.86 O 18.80 -7.81 O 11.82 -9.93 O 15.00 -8.88 C 18.33 -14.37 C 18.80 -6.40 C 15.13 -14.31 C 15.95 -13.15 C 15.72 -6.75 C 13.89 -8.05 C 16.14 -8.05 C 13.79 -12.48 C 17.05 -12.34 C 17.48 -8.48 C 12.72 -8.88 C 17.78 -9.83 C 19.13 -10.22 C 13.18 -10.22 1 20 1 2 21 1 3 24 1 32 4 -1 33 5 -1 6 20 2 7 21 2 8 22 2 9 23 2 9 27 1 10 24 1 10 25 2 11 14 1 11 32 1 12 28 1 12 31 1 13 27 1 13 33 1 14 32 1 15 20 1 28 15 -1 16 22 1 27 16 -1 17 21 1 29 17 -1 30 18 -2 18 33 1 19 25 1 19 26 1 22 23 1 23 28 1 24 26 2 25 30 1 26 29 1 29 31 1 30 33 1 31 32 -2', '33 37 C:21 19.55 -15.07 C:21 20.02 -5.70 C:10 16.45 -5.48 C:23 19.45 -11.63 C:20 14.59 -10.22 O 17.11 -15.07 O 17.87 -5.90 O 15.55 -15.64 C:151 15.13 -12.02 C:109 14.33 -6.75 C:51 20.16 -9.31 C:30 16.77 -10.87 C:40 12.72 -11.56 O 20.45 -10.67 O 18.33 -12.96 O 13.79 -13.86 O 18.80 -7.81 O 11.82 -9.93 O 15.00 -8.88 C:170 18.33 -14.37 C:170 18.80 -6.40 C:170 15.13 -14.31 C:134 15.95 -13.15 C:121 15.72 -6.75 C:149 13.89 -8.05 C:146 16.14 -8.05 C:78 13.79 -12.48 C:68 17.05 -12.34 C:68 17.48 -8.48 C:56 12.72 -8.88 C:39 17.78 -9.83 C:57 19.13 -10.22 C:57 13.18 -10.22 1 20 1 2 21 1 3 24 1 32 4 -1 33 5 -1 6 20 2 7 21 2 8 22 2 9 23 2 9 27 1 10 24 1 10 25 2 11 14 1 11 32 1 12 28 1 12 31 1 13 27 1 13 33 1 14 32 1 15 20 1 28 15 -1 16 22 1 27 16 -1 17 21 1 29 17 -1 30 18 -2 18 33 1 19 25 1 19 26 1 22 23 1 23 28 1 24 26 2 25 30 1 26 29 1 29 31 1 30 33 1 31 32 -2', 'C24H28O9', 460.251, 'C', 'np99_1228_7', 3303, '', '', '1', 45, 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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