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
(16415, 'Eryloside F4', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=O)[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@@:14]2([C:30](=O)O)[C:8]6=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]5([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]3O[CH2:105][C@H:104](O)[C@H:103](O)[C@H:102]3O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@H:204](O)[C@H:203](O)[C@H:202]4O)[C@@:4]([CH3:29])([CH3:28])[C@:5]5([H])[CH2:6][CH2:7]6', '[H][C@]1([C@H](C)CCC(=O)C(=C)C)CC[C@@]2(C(=O)O)C6=C(CC[C@]12C)[C@@]5(C)CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@](C)(C)[C@]5([H])CC6', '[H][C@:51]1([C@H:36]([CH3:18])[CH2:31][CH2:35][C:202](=O)[C:144](=[CH2:124])[CH3:18])[CH2:29][CH2:28][C@@:63]2([C:178](=O)O)[C:128]6=[C:140]([CH2:23][CH2:32][C@:47]12[CH3:18])[C@@:37]5([CH3:20])[CH2:35][CH2:27][C@H:88](O[C@@H:105]3O[CH2:65][C@H:68](O)[C@H:73](O)[C@H:81]3O[C@@H:107]4O[C@H:77]([CH2:61]O)[C@H:69](O)[C@H:75](O)[C@H:74]4O)[C@@:39]([CH3:16])([CH3:28])[C@:50]5([H])[CH2:18][CH2:28]6', '56 61 H 21.80 -8.36 H 16.94 -12.48 C:26 28.53 -7.25 C:27 26.72 -8.88 C:21 21.44 -5.04 C:29 14.92 -13.32 C:28 16.44 -13.32 C:19 16.94 -8.52 C:18 20.68 -6.41 O 26.72 -5.21 O 22.82 -10.23 O 5.98 -12.16 O 20.85 -11.57 O 8.36 -9.47 O 5.98 -16.37 O 8.36 -17.79 O 8.36 -12.29 O 10.81 -16.42 C:23 24.79 -6.78 C:7 19.46 -11.40 C:11 18.23 -7.82 C:206 5.98 -13.56 C:22 23.84 -5.76 C:2 14.49 -9.96 C:6 18.23 -12.16 C:12 19.46 -7.10 C:16 22.82 -8.52 C:1 15.71 -9.21 C:15 22.00 -9.65 C:105 10.81 -9.47 O 12.06 -10.09 O 8.36 -13.56 O 13.30 -12.16 O 10.81 -13.63 C:25 27.14 -7.57 C:24 26.22 -6.50 C:30 21.44 -10.34 C:9 18.23 -9.21 C:8 19.46 -9.96 C:20 22.43 -6.06 C:104 9.61 -10.17 C:205 7.19 -14.28 C:204 7.19 -15.68 C:203 8.36 -16.37 C:103 9.61 -11.57 C:202 9.61 -15.68 C:3 14.49 -11.40 C:201 9.61 -14.28 C:101 12.06 -11.48 C:102 10.81 -12.23 C:4 15.71 -12.16 C:17 22.00 -7.38 C:5 16.94 -11.40 C:10 16.94 -9.96 C:13 20.68 -7.82 C:14 20.68 -9.21 52 1 -2 53 2 -2 3 35 2 4 35 1 40 5 -2 51 6 -1 51 7 -2 54 8 -1 55 9 -1 10 36 2 11 37 2 12 22 1 13 37 1 41 14 -1 43 15 -1 44 16 -1 45 17 -1 46 18 -2 19 23 1 19 36 1 20 25 1 20 39 1 21 26 1 21 38 1 42 22 -1 23 40 1 24 28 1 24 47 1 25 53 1 26 55 1 27 29 1 27 52 1 28 54 1 29 56 1 30 31 1 30 41 1 31 49 1 32 42 1 32 48 1 47 33 -1 49 33 -1 48 34 -1 50 34 -2 35 36 1 56 37 -2 38 39 2 38 54 1 39 56 1 40 52 1 41 45 1 42 43 1 43 44 1 44 46 1 45 50 1 46 48 1 47 51 1 49 50 1 51 53 1 52 55 1 53 54 1 55 56 1', '56 61 H 21.80 -8.36 H 16.94 -12.48 C 28.53 -7.25 C 26.72 -8.88 C 21.44 -5.04 C 14.92 -13.32 C 16.44 -13.32 C 16.94 -8.52 C 20.68 -6.41 O 26.72 -5.21 O 22.82 -10.23 O 5.98 -12.16 O 20.85 -11.57 O 8.36 -9.47 O 5.98 -16.37 O 8.36 -17.79 O 8.36 -12.29 O 10.81 -16.42 C 24.79 -6.78 C 19.46 -11.40 C 18.23 -7.82 C 5.98 -13.56 C 23.84 -5.76 C 14.49 -9.96 C 18.23 -12.16 C 19.46 -7.10 C 22.82 -8.52 C 15.71 -9.21 C 22.00 -9.65 C 10.81 -9.47 O 12.06 -10.09 O 8.36 -13.56 O 13.30 -12.16 O 10.81 -13.63 C 27.14 -7.57 C 26.22 -6.50 C 21.44 -10.34 C 18.23 -9.21 C 19.46 -9.96 C 22.43 -6.06 C 9.61 -10.17 C 7.19 -14.28 C 7.19 -15.68 C 8.36 -16.37 C 9.61 -11.57 C 9.61 -15.68 C 14.49 -11.40 C 9.61 -14.28 C 12.06 -11.48 C 10.81 -12.23 C 15.71 -12.16 C 22.00 -7.38 C 16.94 -11.40 C 16.94 -9.96 C 20.68 -7.82 C 20.68 -9.21 52 1 -2 53 2 -2 3 35 2 4 35 1 40 5 -2 51 6 -1 51 7 -2 54 8 -1 55 9 -1 10 36 2 11 37 2 12 22 1 13 37 1 41 14 -1 43 15 -1 44 16 -1 45 17 -1 46 18 -2 19 23 1 19 36 1 20 25 1 20 39 1 21 26 1 21 38 1 42 22 -1 23 40 1 24 28 1 24 47 1 25 53 1 26 55 1 27 29 1 27 52 1 28 54 1 29 56 1 30 31 1 30 41 1 31 49 1 32 42 1 32 48 1 47 33 -1 49 33 -1 48 34 -1 50 34 -2 35 36 1 56 37 -2 38 39 2 38 54 1 39 56 1 40 52 1 41 45 1 42 43 1 43 44 1 44 46 1 45 50 1 46 48 1 47 51 1 49 50 1 51 53 1 52 55 1 53 54 1 55 56 1', '56 61 H 21.80 -8.36 H 16.94 -12.48 C:124 28.53 -7.25 C:18 26.72 -8.88 C:18 21.44 -5.04 C:16 14.92 -13.32 C:28 16.44 -13.32 C:20 16.94 -8.52 C:18 20.68 -6.41 O 26.72 -5.21 O 22.82 -10.23 O 5.98 -12.16 O 20.85 -11.57 O 8.36 -9.47 O 5.98 -16.37 O 8.36 -17.79 O 8.36 -12.29 O 10.81 -16.42 C:35 24.79 -6.78 C:28 19.46 -11.40 C:23 18.23 -7.82 C:61 5.98 -13.56 C:31 23.84 -5.76 C:27 14.49 -9.96 C:18 18.23 -12.16 C:32 19.46 -7.10 C:29 22.82 -8.52 C:35 15.71 -9.21 C:28 22.00 -9.65 C:65 10.81 -9.47 O 12.06 -10.09 O 8.36 -13.56 O 13.30 -12.16 O 10.81 -13.63 C:144 27.14 -7.57 C:202 26.22 -6.50 C:178 21.44 -10.34 C:140 18.23 -9.21 C:128 19.46 -9.96 C:36 22.43 -6.06 C:68 9.61 -10.17 C:77 7.19 -14.28 C:69 7.19 -15.68 C:75 8.36 -16.37 C:73 9.61 -11.57 C:74 9.61 -15.68 C:88 14.49 -11.40 C:107 9.61 -14.28 C:105 12.06 -11.48 C:81 10.81 -12.23 C:39 15.71 -12.16 C:51 22.00 -7.38 C:50 16.94 -11.40 C:37 16.94 -9.96 C:47 20.68 -7.82 C:63 20.68 -9.21 52 1 -2 53 2 -2 3 35 2 4 35 1 40 5 -2 51 6 -1 51 7 -2 54 8 -1 55 9 -1 10 36 2 11 37 2 12 22 1 13 37 1 41 14 -1 43 15 -1 44 16 -1 45 17 -1 46 18 -2 19 23 1 19 36 1 20 25 1 20 39 1 21 26 1 21 38 1 42 22 -1 23 40 1 24 28 1 24 47 1 25 53 1 26 55 1 27 29 1 27 52 1 28 54 1 29 56 1 30 31 1 30 41 1 31 49 1 32 42 1 32 48 1 47 33 -1 49 33 -1 48 34 -1 50 34 -2 35 36 1 56 37 -2 38 39 2 38 54 1 39 56 1 40 52 1 41 45 1 42 43 1 43 44 1 44 46 1 45 50 1 46 48 1 47 51 1 49 50 1 51 53 1 52 55 1 53 54 1 55 56 1', 'C41H64O13', 764.447, 'P', 'np07_169_4', 4114, '', '', '1', 1, NULL, NULL),
(16416, 'Eryloside M', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]2([C:30](=O)O)[C:8]7=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]6([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]4O[CH2:105][C@H:104](O)[C@H:103](O[C@@H:301]3O[CH2:305][C@H:304](O)[C@H:303](O)[C@H:302]3O)[C@H:102]4O[C@@H:201]5O[C@H:205]([CH2:206]O)[C@H:204](O)[C@H:203](O)[C@H:202]5O)[C@:4]([CH3:28])([CH3:29])[C@:5]6([H])[CH2:6][CH2:7]7', '[H][C@]1([C@H](C)CCC(=C)C(C)C)CC[C@@]2(C(=O)O)C7=C(CC[C@]12C)[C@@]6(C)CC[C@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@](C)(C)[C@]6([H])CC7', 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(16417, 'Eryloside N', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])[CH2:16][CH2:15][C@@:14]2([C:30](=O)O)[C:8]7=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]6([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]4O[CH2:105][C@H:104](O)[C@H:103](O[C@@H:301]3O[CH2:305][C@H:304](O)[C@H:303](O)[C@H:302]3O)[C@H:102]4O[C@@H:201]5O[C@H:205]([CH2:206]O)[C@H:204](O)[C@H:203](O)[C@H:202]5O)[C@@:4]([CH3:29])([CH3:28])[C@:5]6([H])[CH2:6][CH2:7]7', '[H][C@]1([C@H](C)CCC=C(C)C)CC[C@@]2(C(=O)O)C7=C(CC[C@]12C)[C@@]6(C)CC[C@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@](C)(C)[C@]6([H])CC7', 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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
(16423, 'Eryloside F5', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24]([CH3:24001])(O)[C:25]([CH3:26])([CH3:27])[CH3:25001])[CH2:16][CH2:15][C@@:14]2([C:30](=O)O)[C:8]6=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]5([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@H:104](O)[C@H:103](O)[C@H:102]3O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]4N[C:202001]([CH3:202002])=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]5([H])[CH2:6][CH2:7]6', '[H][C@]1([C@H](C)CCC(C)(O)C(C)(C)C)CC[C@@]2(C(=O)O)C6=C(CC[C@]12C)[C@@]5(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@](C)(C)[C@]5([H])CC6', '[H][C@:52]1([C@H:37]([CH3:19])[CH2:30][CH2:34][C:75]([CH3:21])(O)[C:39]([CH3:26])([CH3:26])[CH3:26])[CH2:30][CH2:28][C@@:63]2([C:178](=O)O)[C:128]6=[C:140]([CH2:23][CH2:32][C@:47]12[CH3:18])[C@@:37]5([CH3:20])[CH2:35][CH2:27][C@H:89](O[C@@H:105]3O[C@H:76]([CH2:62]O)[C@H:70](O)[C@H:76](O)[C@H:81]3O[C@@H:103]4O[C@H:77]([CH2:63]O)[C@@H:73](O)[C@H:78](O)[C@H:59]4N[C:173]([CH3:23])=O)[C@@:40]([CH3:16])([CH3:28])[C@:50]5([H])[CH2:18][CH2:28]6', '63 68 H 20.62 -8.03 H 15.77 -12.14 C:202002 8.43 -18.18 C:21 20.26 -4.71 C:26 27.35 -6.92 C:27 25.54 -8.55 C:25001 26.87 -8.31 C:29 13.75 -12.98 C:28 15.27 -12.98 C:24001 26.12 -5.29 C:19 15.77 -8.19 C:18 19.50 -6.08 O 10.85 -18.18 O 21.64 -9.90 O 15.70 -13.99 O 10.85 -7.02 O 19.67 -11.24 O 14.49 -16.09 O 7.18 -9.14 O 12.05 -17.49 O 7.18 -11.95 O 24.81 -4.79 C:206 14.49 -13.29 C:106 9.64 -7.74 C:7 18.28 -11.07 C:11 17.06 -7.49 C:22 22.66 -5.43 C:2 13.28 -9.63 C:6 17.06 -11.83 C:23 23.61 -6.45 C:12 18.28 -6.77 C:1 14.49 -8.88 C:16 21.64 -8.19 C:15 20.82 -9.32 N 9.64 -16.09 O 12.05 -13.29 O 10.85 -9.76 O 12.13 -11.83 O 9.64 -13.29 C:202001 9.64 -17.49 C:30 20.26 -10.01 C:9 17.06 -8.88 C:8 18.28 -9.63 C:20 21.25 -5.73 C:204 13.28 -15.39 C:104 8.43 -9.84 C:203 12.05 -16.09 C:103 8.43 -11.24 C:205 13.28 -13.99 C:105 9.64 -9.14 C:3 13.28 -11.07 C:201 10.85 -13.99 C:101 10.85 -11.15 C:202 10.85 -15.39 C:102 9.64 -11.89 C:25 25.96 -7.24 C:4 14.49 -11.83 C:24 25.04 -6.17 C:17 20.82 -7.02 C:10 15.77 -9.63 C:5 15.77 -11.07 C:13 19.50 -7.49 C:14 19.50 -8.88 59 1 -2 61 2 -2 3 40 1 44 4 -2 5 56 1 6 56 1 7 56 1 57 8 -1 57 9 -2 10 58 1 60 11 -1 62 12 -1 13 40 2 14 41 2 15 23 1 16 24 1 17 41 1 45 18 -1 46 19 -1 47 20 -2 48 21 -1 22 58 1 49 23 -2 50 24 -1 25 29 1 25 43 1 26 31 1 26 42 1 27 30 1 27 44 1 28 32 1 28 51 1 29 61 1 30 58 1 31 62 1 32 60 1 33 34 1 33 59 1 34 63 1 35 40 1 54 35 -1 36 49 1 36 52 1 37 50 1 37 53 1 51 38 -1 53 38 -1 52 39 -2 55 39 -2 63 41 -2 42 43 2 42 60 1 43 63 1 44 59 1 45 47 1 45 49 1 46 48 1 46 50 1 47 54 1 48 55 1 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4 -2 5 56 1 6 56 1 7 56 1 57 8 -1 57 9 -2 10 58 1 60 11 -1 62 12 -1 13 40 2 14 41 2 15 23 1 16 24 1 17 41 1 45 18 -1 46 19 -1 47 20 -2 48 21 -1 22 58 1 49 23 -2 50 24 -1 25 29 1 25 43 1 26 31 1 26 42 1 27 30 1 27 44 1 28 32 1 28 51 1 29 61 1 30 58 1 31 62 1 32 60 1 33 34 1 33 59 1 34 63 1 35 40 1 54 35 -1 36 49 1 36 52 1 37 50 1 37 53 1 51 38 -1 53 38 -1 52 39 -2 55 39 -2 63 41 -2 42 43 2 42 60 1 43 63 1 44 59 1 45 47 1 45 49 1 46 48 1 46 50 1 47 54 1 48 55 1 51 57 1 52 54 1 53 55 1 56 58 1 57 61 1 59 62 1 60 61 1 62 63 1', '63 68 H 20.62 -8.03 H 15.77 -12.14 C:23 8.43 -18.18 C:19 20.26 -4.71 C:26 27.35 -6.92 C:26 25.54 -8.55 C:26 26.87 -8.31 C:16 13.75 -12.98 C:28 15.27 -12.98 C:21 26.12 -5.29 C:20 15.77 -8.19 C:18 19.50 -6.08 O 10.85 -18.18 O 21.64 -9.90 O 15.70 -13.99 O 10.85 -7.02 O 19.67 -11.24 O 14.49 -16.09 O 7.18 -9.14 O 12.05 -17.49 O 7.18 -11.95 O 24.81 -4.79 C:63 14.49 -13.29 C:62 9.64 -7.74 C:28 18.28 -11.07 C:23 17.06 -7.49 C:30 22.66 -5.43 C:27 13.28 -9.63 C:18 17.06 -11.83 C:34 23.61 -6.45 C:32 18.28 -6.77 C:35 14.49 -8.88 C:30 21.64 -8.19 C:28 20.82 -9.32 N 9.64 -16.09 O 12.05 -13.29 O 10.85 -9.76 O 12.13 -11.83 O 9.64 -13.29 C:173 9.64 -17.49 C:178 20.26 -10.01 C:140 17.06 -8.88 C:128 18.28 -9.63 C:37 21.25 -5.73 C:73 13.28 -15.39 C:70 8.43 -9.84 C:78 12.05 -16.09 C:76 8.43 -11.24 C:77 13.28 -13.99 C:76 9.64 -9.14 C:89 13.28 -11.07 C:103 10.85 -13.99 C:105 10.85 -11.15 C:59 10.85 -15.39 C:81 9.64 -11.89 C:39 25.96 -7.24 C:40 14.49 -11.83 C:75 25.04 -6.17 C:52 20.82 -7.02 C:37 15.77 -9.63 C:50 15.77 -11.07 C:47 19.50 -7.49 C:63 19.50 -8.88 59 1 -2 61 2 -2 3 40 1 44 4 -2 5 56 1 6 56 1 7 56 1 57 8 -1 57 9 -2 10 58 1 60 11 -1 62 12 -1 13 40 2 14 41 2 15 23 1 16 24 1 17 41 1 45 18 -1 46 19 -1 47 20 -2 48 21 -1 22 58 1 49 23 -2 50 24 -1 25 29 1 25 43 1 26 31 1 26 42 1 27 30 1 27 44 1 28 32 1 28 51 1 29 61 1 30 58 1 31 62 1 32 60 1 33 34 1 33 59 1 34 63 1 35 40 1 54 35 -1 36 49 1 36 52 1 37 50 1 37 53 1 51 38 -1 53 38 -1 52 39 -2 55 39 -2 63 41 -2 42 43 2 42 60 1 43 63 1 44 59 1 45 47 1 45 49 1 46 48 1 46 50 1 47 54 1 48 55 1 51 57 1 52 54 1 53 55 1 56 58 1 57 61 1 59 62 1 60 61 1 62 63 1', 'C46H77NO14', 867.506, 'P', 'np07_1871_5', 4115, '', '', '1', 1, NULL, NULL),
(16424, 'Eryloside F6', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24]([CH3:24001])(O[C:24002]([CH3:24003])=O)[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]2([C:30](=O)O)[C:8]6=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]5([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@H:104](O)[C@H:103](O)[C@H:102]3O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]4N[C:202001]([CH3:202002])=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]5([H])[CH2:6][CH2:7]6', '[H][C@]1([C@H](C)CCC(C)(OC(C)=O)C(C)C)CC[C@@]2(C(=O)O)C6=C(CC[C@]12C)[C@@]5(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@](C)(C)[C@]5([H])CC6', '[H][C@:51]1([C@H:37]([CH3:19])[CH2:30][CH2:33][C:87]([CH3:20])(O[C:170]([CH3:22])=O)[CH:34]([CH3:17])[CH3:17])[CH2:30][CH2:28][C@@:63]2([C:178](=O)O)[C:128]6=[C:140]([CH2:22][CH2:32][C@:47]12[CH3:18])[C@@:37]5([CH3:20])[CH2:35][CH2:27][C@H:89](O[C@@H:105]3O[C@H:76]([CH2:62]O)[C@H:70](O)[C@H:76](O)[C@H:81]3O[C@@H:103]4O[C@H:77]([CH2:63]O)[C@@H:73](O)[C@H:78](O)[C@H:59]4N[C:173]([CH3:23])=O)[C@@:40]([CH3:16])([CH3:28])[C@:50]5([H])[CH2:18][CH2:28]6', '65 70 H 20.62 -9.09 H 15.77 -13.20 C:202002 8.43 -19.24 C:24003 25.66 -3.58 C:26 27.35 -7.98 C:27 25.54 -9.61 C:21 20.26 -5.77 C:29 13.75 -14.04 C:28 15.27 -14.04 C:24001 26.12 -6.35 C:19 15.77 -9.25 C:18 19.50 -7.14 O 10.85 -19.24 O 27.20 -5.45 O 21.64 -10.96 O 15.70 -15.05 O 10.85 -8.08 O 19.67 -12.30 O 14.49 -17.15 O 7.18 -10.20 O 12.05 -18.55 O 7.18 -13.01 C:206 14.49 -14.35 C:106 9.64 -8.80 C:7 18.28 -12.13 C:11 17.06 -8.55 C:22 22.66 -6.49 C:2 13.28 -10.69 C:23 23.61 -7.51 C:6 17.06 -12.89 C:1 14.49 -9.94 C:12 18.28 -7.83 C:16 21.64 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(16433, '14-Norpseurotin A', '', 'Alkaloids', 'Pyrroles', '', '[CH3:15][CH:13]=[CH:12][C@H:11](O)[C@H:10](O)[C:2]1=[C:3]([CH3:16])[C:4](=O)[C@:5]3(O1)[C:6](=O)N[C@@:8](O[CH3:8001])([C:17](=O)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[C@@H:9]3O', 'CC=C[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]3(O1)C(=O)N[C@@](OC)(C(=O)c2ccccc2)[C@@H]3O', '[CH3:14][CH:130]=[CH:128][C@H:70](O)[C@H:70](O)[C:186]1=[C:114]([CH3:6])[C:196](=O)[C@:93]3(O1)[C:167](=O)N[C@@:90](O[CH3:52])([C:195](=O)[c:132]2[cH:131][cH:129][cH:135][cH:129][cH:131]2)[C@@H:73]3O', '30 32 C:15 10.88 -11.73 C:8001 20.18 -11.73 C:16 17.30 -15.07 O 15.15 -10.09 O 19.33 -12.81 O 19.97 -7.66 O 13.30 -11.73 O 14.51 -15.23 O 19.65 -12.09 C:13 10.88 -13.13 C:12 12.09 -13.83 C:21 23.60 -11.16 C:20 23.60 -9.76 C:22 22.39 -11.86 C:19 22.39 -9.06 C:23 21.18 -11.16 N 17.48 -9.19 O 20.04 -10.33 O 15.87 -11.73 C:3 17.00 -13.70 C:6 16.54 -10.23 C:4 17.94 -12.66 C:17 19.97 -9.06 C:2 15.73 -13.13 C:18 21.18 -9.76 C:11 13.30 -13.13 C:10 14.51 -13.83 C:9 18.61 -11.16 C:8 18.76 -9.76 C:5 17.24 -11.45 1 10 1 2 18 1 3 20 1 4 21 2 5 22 2 6 23 2 26 7 -2 27 8 -1 28 9 -2 10 11 2 11 26 1 12 13 1 12 14 2 13 15 2 14 16 1 15 25 1 16 25 2 17 21 1 17 29 1 29 18 -2 19 24 1 30 19 -1 20 22 1 20 24 2 21 30 1 30 22 -2 23 25 1 29 23 -1 24 27 1 26 27 1 28 29 1 28 30 1', '30 32 C 10.88 -11.73 C 20.18 -11.73 C 17.30 -15.07 O 15.15 -10.09 O 19.33 -12.81 O 19.97 -7.66 O 13.30 -11.73 O 14.51 -15.23 O 19.65 -12.09 C 10.88 -13.13 C 12.09 -13.83 C 23.60 -11.16 C 23.60 -9.76 C 22.39 -11.86 C 22.39 -9.06 C 21.18 -11.16 N 17.48 -9.19 O 20.04 -10.33 O 15.87 -11.73 C 17.00 -13.70 C 16.54 -10.23 C 17.94 -12.66 C 19.97 -9.06 C 15.73 -13.13 C 21.18 -9.76 C 13.30 -13.13 C 14.51 -13.83 C 18.61 -11.16 C 18.76 -9.76 C 17.24 -11.45 1 10 1 2 18 1 3 20 1 4 21 2 5 22 2 6 23 2 26 7 -2 27 8 -1 28 9 -2 10 11 2 11 26 1 12 13 1 12 14 2 13 15 2 14 16 1 15 25 1 16 25 2 17 21 1 17 29 1 29 18 -2 19 24 1 30 19 -1 20 22 1 20 24 2 21 30 1 30 22 -2 23 25 1 29 23 -1 24 27 1 26 27 1 28 29 1 28 30 1', '30 32 C:14 10.88 -11.73 C:52 20.18 -11.73 C:6 17.30 -15.07 O 15.15 -10.09 O 19.33 -12.81 O 19.97 -7.66 O 13.30 -11.73 O 14.51 -15.23 O 19.65 -12.09 C:130 10.88 -13.13 C:128 12.09 -13.83 C:135 23.60 -11.16 C:129 23.60 -9.76 C:129 22.39 -11.86 C:131 22.39 -9.06 C:131 21.18 -11.16 N 17.48 -9.19 O 20.04 -10.33 O 15.87 -11.73 C:114 17.00 -13.70 C:167 16.54 -10.23 C:196 17.94 -12.66 C:195 19.97 -9.06 C:186 15.73 -13.13 C:132 21.18 -9.76 C:70 13.30 -13.13 C:70 14.51 -13.83 C:73 18.61 -11.16 C:90 18.76 -9.76 C:93 17.24 -11.45 1 10 1 2 18 1 3 20 1 4 21 2 5 22 2 6 23 2 26 7 -2 27 8 -1 28 9 -2 10 11 2 11 26 1 12 13 1 12 14 2 13 15 2 14 16 1 15 25 1 16 25 2 17 21 1 17 29 1 29 18 -2 19 24 1 30 19 -1 20 22 1 20 24 2 21 30 1 30 22 -2 23 25 1 29 23 -1 24 27 1 26 27 1 28 29 1 28 30 1', 'C21H23NO8', 417.227, 'C', 'np08_985_4', 4117, '', '', '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
(16434, '', '4S,5S,6S,8S,9S,10R,13R,14S,16S,17Z)-6,16-Diacetoxy-25-hydroxy-3,7-dioxy-29-nordammara-1,17(20)-dien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:13]34[CH2:12][CH2:11][C@@:9]2([H])[C@@:10]1([CH3:19])[CH:1]=[CH:2][C:3](=O)[C@@H:4]([CH3:28])[C@:5]1([H])[C@H:6](O[C:6001]([CH3:6002])=O)[C:7](=O)[C@:8]2([CH3:30])[C@@:14]3([CH3:18])[CH2:15][C@H:16](O[C:16001]([CH3:16002])=O)[C:17]4=[C:20]([CH2:22][CH2:23][CH2:24][C:25]([CH3:26])([CH3:27])O)[C:21](=O)O', '[H][C@@]34CC[C@@]2([H])[C@@]1(C)C=CC(=O)[C@@H](C)[C@]1([H])[C@H](OC(C)=O)C(=O)[C@]2(C)[C@@]3(C)C[C@H](OC(C)=O)C4=C(CCCC(C)(C)O)C(=O)O', '[H][C@@:49]34[CH2:26][CH2:24][C@@:42]2([H])[C@@:38]1([CH3:28])[CH:157]=[CH:128][C:201](=O)[C@@H:40]([CH3:13])[C@:47]1([H])[C@H:74](O[C:169]([CH3:21])=O)[C:209](=O)[C@:53]2([CH3:18])[C@@:47]3([CH3:18])[CH2:41][C@H:73](O[C:170]([CH3:21])=O)[C:148]4=[C:131]([CH2:29][CH2:24][CH2:43][C:71]([CH3:29])([CH3:29])O)[C:173](=O)O', '45 48 H 18.09 -10.33 H 15.58 -13.87 H 14.31 -16.11 C:16002 23.79 -13.36 C:6002 16.79 -19.24 C:28 13.08 -17.14 C:26 20.29 -4.60 C:27 17.95 -3.84 C:19 14.31 -12.13 C:18 18.11 -14.31 C:30 16.84 -12.13 O 21.67 -14.55 O 18.01 -17.14 O 21.76 -8.02 O 10.66 -15.79 O 18.01 -15.78 O 22.22 -10.38 O 19.36 -3.56 C:2 11.85 -13.57 C:1 13.08 -12.83 C:23 19.36 -7.24 C:22 18.93 -8.56 C:24 18.44 -6.20 C:12 16.84 -10.70 C:11 15.58 -11.42 C:15 19.43 -13.25 O 21.67 -12.14 O 15.58 -17.14 C:16001 22.39 -13.35 C:6001 16.79 -17.84 C:21 21.28 -9.34 C:3 11.85 -15.04 C:7 16.84 -15.04 C:20 19.88 -9.63 C:17 19.43 -10.99 C:4 13.08 -15.74 C:16 20.29 -12.13 C:6 15.58 -15.74 C:25 18.93 -4.89 C:13 18.09 -11.42 C:9 15.58 -12.83 C:10 14.31 -13.57 C:5 14.31 -15.04 C:14 18.09 -12.83 C:8 16.84 -13.57 40 1 -2 41 2 -1 43 3 -2 4 29 1 5 30 1 36 6 -2 7 39 1 8 39 1 42 9 -1 44 10 -1 45 11 -2 12 29 2 13 30 2 14 31 2 15 32 2 16 33 2 17 31 1 18 39 1 19 20 2 19 32 1 20 42 1 21 22 1 21 23 1 22 34 1 23 39 1 24 25 1 24 40 1 25 41 1 26 37 1 26 44 1 27 29 1 37 27 -1 28 30 1 38 28 -1 31 34 1 32 36 1 33 38 1 33 45 1 34 35 2 35 37 1 35 40 1 36 43 1 38 43 1 40 44 1 41 42 1 41 45 1 42 43 1 44 45 1', '45 48 H 18.09 -10.33 H 15.58 -13.87 H 14.31 -16.11 C 23.79 -13.36 C 16.79 -19.24 C 13.08 -17.14 C 20.29 -4.60 C 17.95 -3.84 C 14.31 -12.13 C 18.11 -14.31 C 16.84 -12.13 O 21.67 -14.55 O 18.01 -17.14 O 21.76 -8.02 O 10.66 -15.79 O 18.01 -15.78 O 22.22 -10.38 O 19.36 -3.56 C 11.85 -13.57 C 13.08 -12.83 C 19.36 -7.24 C 18.93 -8.56 C 18.44 -6.20 C 16.84 -10.70 C 15.58 -11.42 C 19.43 -13.25 O 21.67 -12.14 O 15.58 -17.14 C 22.39 -13.35 C 16.79 -17.84 C 21.28 -9.34 C 11.85 -15.04 C 16.84 -15.04 C 19.88 -9.63 C 19.43 -10.99 C 13.08 -15.74 C 20.29 -12.13 C 15.58 -15.74 C 18.93 -4.89 C 18.09 -11.42 C 15.58 -12.83 C 14.31 -13.57 C 14.31 -15.04 C 18.09 -12.83 C 16.84 -13.57 40 1 -2 41 2 -1 43 3 -2 4 29 1 5 30 1 36 6 -2 7 39 1 8 39 1 42 9 -1 44 10 -1 45 11 -2 12 29 2 13 30 2 14 31 2 15 32 2 16 33 2 17 31 1 18 39 1 19 20 2 19 32 1 20 42 1 21 22 1 21 23 1 22 34 1 23 39 1 24 25 1 24 40 1 25 41 1 26 37 1 26 44 1 27 29 1 37 27 -1 28 30 1 38 28 -1 31 34 1 32 36 1 33 38 1 33 45 1 34 35 2 35 37 1 35 40 1 36 43 1 38 43 1 40 44 1 41 42 1 41 45 1 42 43 1 44 45 1', '45 48 H 18.09 -10.33 H 15.58 -13.87 H 14.31 -16.11 C:21 23.79 -13.36 C:21 16.79 -19.24 C:13 13.08 -17.14 C:29 20.29 -4.60 C:29 17.95 -3.84 C:28 14.31 -12.13 C:18 18.11 -14.31 C:18 16.84 -12.13 O 21.67 -14.55 O 18.01 -17.14 O 21.76 -8.02 O 10.66 -15.79 O 18.01 -15.78 O 22.22 -10.38 O 19.36 -3.56 C:128 11.85 -13.57 C:157 13.08 -12.83 C:24 19.36 -7.24 C:29 18.93 -8.56 C:43 18.44 -6.20 C:26 16.84 -10.70 C:24 15.58 -11.42 C:41 19.43 -13.25 O 21.67 -12.14 O 15.58 -17.14 C:170 22.39 -13.35 C:169 16.79 -17.84 C:173 21.28 -9.34 C:201 11.85 -15.04 C:209 16.84 -15.04 C:131 19.88 -9.63 C:148 19.43 -10.99 C:40 13.08 -15.74 C:73 20.29 -12.13 C:74 15.58 -15.74 C:71 18.93 -4.89 C:49 18.09 -11.42 C:42 15.58 -12.83 C:38 14.31 -13.57 C:47 14.31 -15.04 C:47 18.09 -12.83 C:53 16.84 -13.57 40 1 -2 41 2 -1 43 3 -2 4 29 1 5 30 1 36 6 -2 7 39 1 8 39 1 42 9 -1 44 10 -1 45 11 -2 12 29 2 13 30 2 14 31 2 15 32 2 16 33 2 17 31 1 18 39 1 19 20 2 19 32 1 20 42 1 21 22 1 21 23 1 22 34 1 23 39 1 24 25 1 24 40 1 25 41 1 26 37 1 26 44 1 27 29 1 37 27 -1 28 30 1 38 28 -1 31 34 1 32 36 1 33 38 1 33 45 1 34 35 2 35 37 1 35 40 1 36 43 1 38 43 1 40 44 1 41 42 1 41 45 1 42 43 1 44 45 1', 'C33H46O9', 586.372, 'C', 'np08_985_5', 4117, '', '', '1', 1, NULL, NULL),
(16435, 'Seco-coccinic acid A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:9]23[CH2:11][CH2:12][C@:13]1([CH3:18])[C@@:17]([H])([C@H:20]([CH3:21])[CH2:22][C:23](=O)[CH2:24][CH:25]([CH3:27])[CH3:26])[CH2:16][CH2:15][C@@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)O', '[H][C@@]23CC[C@]1(C)[C@@]([H])([C@H](C)CC(=O)CC(C)C)CC[C@@]1(C)C2=CC[C@@H](C(=C)C)[C@]3(C)CCC(=O)O', '[H][C@@:39]23[CH2:19][CH2:34][C@:44]1([CH3:22])[C@@:53]([H])([C@H:33]([CH3:20])[CH2:50][C:210](=O)[CH2:53][CH:25]([CH3:23])[CH3:23])[CH2:29][CH2:34][C@@:52]1([CH3:28])[C:147]2=[CH:118][CH2:30][C@@H:46]([C:150](=[CH2:112])[CH3:26])[C@:37]3([CH3:24])[CH2:30][CH2:30][C:177](=O)O', '35 37 H 15.15 -12.44 H 18.76 -10.55 C:28 12.65 -15.69 C:29 11.45 -13.62 C:27 23.65 -11.09 C:26 25.51 -9.45 C:21 18.47 -7.14 C:30 17.64 -12.89 C:19 13.87 -10.72 C:18 17.62 -8.60 O 10.22 -10.06 O 21.28 -10.28 O 9.01 -12.14 C:7 16.37 -13.62 C:6 15.15 -14.31 C:2 11.45 -12.15 C:24 23.15 -8.69 C:22 20.82 -7.91 C:1 12.65 -11.42 C:11 15.15 -10.00 C:16 19.80 -10.72 C:15 18.96 -11.84 C:12 16.37 -9.29 C:4 12.65 -14.31 C:3 10.22 -11.46 C:23 21.75 -8.97 C:8 16.37 -12.15 C:25 24.10 -9.75 C:20 19.40 -8.21 C:5 13.87 -13.62 C:9 15.15 -11.42 C:17 18.96 -9.57 C:14 17.62 -11.42 C:10 13.87 -12.15 C:13 17.62 -10.00 31 1 -1 32 2 -2 3 24 2 4 24 1 5 28 1 6 28 1 29 7 -2 33 8 -2 34 9 -1 35 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 27 2 15 30 1 16 19 1 16 25 1 17 26 1 17 28 1 18 26 1 18 29 1 19 34 1 20 23 1 20 31 1 21 22 1 21 32 1 22 33 1 23 35 1 30 24 -1 27 31 1 27 33 1 29 32 1 30 34 1 31 34 1 32 35 1 33 35 1', '35 37 H 15.15 -12.44 H 18.76 -10.55 C 12.65 -15.69 C 11.45 -13.62 C 23.65 -11.09 C 25.51 -9.45 C 18.47 -7.14 C 17.64 -12.89 C 13.87 -10.72 C 17.62 -8.60 O 10.22 -10.06 O 21.28 -10.28 O 9.01 -12.14 C 16.37 -13.62 C 15.15 -14.31 C 11.45 -12.15 C 23.15 -8.69 C 20.82 -7.91 C 12.65 -11.42 C 15.15 -10.00 C 19.80 -10.72 C 18.96 -11.84 C 16.37 -9.29 C 12.65 -14.31 C 10.22 -11.46 C 21.75 -8.97 C 16.37 -12.15 C 24.10 -9.75 C 19.40 -8.21 C 13.87 -13.62 C 15.15 -11.42 C 18.96 -9.57 C 17.62 -11.42 C 13.87 -12.15 C 17.62 -10.00 31 1 -1 32 2 -2 3 24 2 4 24 1 5 28 1 6 28 1 29 7 -2 33 8 -2 34 9 -1 35 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 27 2 15 30 1 16 19 1 16 25 1 17 26 1 17 28 1 18 26 1 18 29 1 19 34 1 20 23 1 20 31 1 21 22 1 21 32 1 22 33 1 23 35 1 30 24 -1 27 31 1 27 33 1 29 32 1 30 34 1 31 34 1 32 35 1 33 35 1', '35 37 H 15.15 -12.44 H 18.76 -10.55 C:112 12.65 -15.69 C:26 11.45 -13.62 C:23 23.65 -11.09 C:23 25.51 -9.45 C:20 18.47 -7.14 C:28 17.64 -12.89 C:24 13.87 -10.72 C:22 17.62 -8.60 O 10.22 -10.06 O 21.28 -10.28 O 9.01 -12.14 C:118 16.37 -13.62 C:30 15.15 -14.31 C:30 11.45 -12.15 C:53 23.15 -8.69 C:50 20.82 -7.91 C:30 12.65 -11.42 C:19 15.15 -10.00 C:29 19.80 -10.72 C:34 18.96 -11.84 C:34 16.37 -9.29 C:150 12.65 -14.31 C:177 10.22 -11.46 C:210 21.75 -8.97 C:147 16.37 -12.15 C:25 24.10 -9.75 C:33 19.40 -8.21 C:46 13.87 -13.62 C:39 15.15 -11.42 C:53 18.96 -9.57 C:52 17.62 -11.42 C:37 13.87 -12.15 C:44 17.62 -10.00 31 1 -1 32 2 -2 3 24 2 4 24 1 5 28 1 6 28 1 29 7 -2 33 8 -2 34 9 -1 35 10 -1 11 25 2 12 26 2 13 25 1 14 15 1 14 27 2 15 30 1 16 19 1 16 25 1 17 26 1 17 28 1 18 26 1 18 29 1 19 34 1 20 23 1 20 31 1 21 22 1 21 32 1 22 33 1 23 35 1 30 24 -1 27 31 1 27 33 1 29 32 1 30 34 1 31 34 1 32 35 1 33 35 1', 'C30H48O3', 456.335, 'P', 'np08_990_1', 4118, '', '', '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
(16447, 'Astrapteridone', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:22]5([C@@H:20]([CH3:21])[C@@:17]1([H])[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]4=[C:9]([CH2:11][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][CH2:7]4)[CH2:23][CH2:24][C@H:25]([CH3:27])[C@@H:26](O)O5', '[H][C@@]5([C@@H](C)[C@@]1([H])CC[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CCC(=O)[C@@](C)(C)[C@]3([H])CC4)CC[C@H](C)[C@@H](O)O5', '[H][C@@:70]5([C@@H:42]([CH3:14])[C@@:47]1([H])[CH2:32][CH2:32][C@@:51]2([CH3:25])[C:134]4=[C:136]([CH2:22][CH2:27][C@:45]12[CH3:16])[C@@:37]3([CH3:19])[CH2:37][CH2:35][C:215](=O)[C@@:48]([CH3:22])([CH3:27])[C@:52]3([H])[CH2:20][CH2:28]4)[CH2:24][CH2:25][C@H:32]([CH3:17])[C@@H:97](O)O5', '36 40 H 20.40 -9.34 H 18.42 -10.98 H 13.47 -15.11 C:27 24.64 -7.43 C:21 18.29 -7.59 C:29 11.50 -16.10 C:28 13.07 -16.10 C:19 13.47 -11.27 C:30 17.40 -13.41 C:18 17.40 -9.08 O 9.89 -14.82 O 23.84 -10.10 C:2 11.09 -12.70 C:7 16.10 -14.16 C:11 14.82 -10.48 C:24 22.33 -6.72 C:6 14.82 -14.87 C:1 12.29 -12.02 C:23 20.97 -7.03 C:12 16.10 -9.74 C:16 19.60 -11.20 C:15 18.75 -12.32 O 21.51 -9.39 C:3 11.09 -14.10 C:9 14.82 -11.90 C:8 16.10 -12.64 C:25 23.29 -7.75 C:20 19.19 -8.64 C:26 22.88 -9.08 C:4 12.29 -14.82 C:22 20.54 -8.34 C:17 18.75 -10.02 C:5 13.47 -14.16 C:10 13.47 -12.64 C:14 17.40 -11.90 C:13 17.40 -10.48 31 1 -1 32 2 -2 33 3 -2 27 4 -2 28 5 -2 30 6 -1 30 7 -2 34 8 -1 35 9 -2 36 10 -1 11 24 2 29 12 -1 13 18 1 13 24 1 14 17 1 14 26 1 15 20 1 15 25 1 16 19 1 16 27 1 17 33 1 18 34 1 19 31 1 20 36 1 21 22 1 21 32 1 22 35 1 23 29 1 23 31 1 24 30 1 25 26 2 25 34 1 26 35 1 27 29 1 28 31 1 28 32 1 30 33 1 32 36 1 33 34 1 35 36 1', '36 40 H 20.40 -9.34 H 18.42 -10.98 H 13.47 -15.11 C 24.64 -7.43 C 18.29 -7.59 C 11.50 -16.10 C 13.07 -16.10 C 13.47 -11.27 C 17.40 -13.41 C 17.40 -9.08 O 9.89 -14.82 O 23.84 -10.10 C 11.09 -12.70 C 16.10 -14.16 C 14.82 -10.48 C 22.33 -6.72 C 14.82 -14.87 C 12.29 -12.02 C 20.97 -7.03 C 16.10 -9.74 C 19.60 -11.20 C 18.75 -12.32 O 21.51 -9.39 C 11.09 -14.10 C 14.82 -11.90 C 16.10 -12.64 C 23.29 -7.75 C 19.19 -8.64 C 22.88 -9.08 C 12.29 -14.82 C 20.54 -8.34 C 18.75 -10.02 C 13.47 -14.16 C 13.47 -12.64 C 17.40 -11.90 C 17.40 -10.48 31 1 -1 32 2 -2 33 3 -2 27 4 -2 28 5 -2 30 6 -1 30 7 -2 34 8 -1 35 9 -2 36 10 -1 11 24 2 29 12 -1 13 18 1 13 24 1 14 17 1 14 26 1 15 20 1 15 25 1 16 19 1 16 27 1 17 33 1 18 34 1 19 31 1 20 36 1 21 22 1 21 32 1 22 35 1 23 29 1 23 31 1 24 30 1 25 26 2 25 34 1 26 35 1 27 29 1 28 31 1 28 32 1 30 33 1 32 36 1 33 34 1 35 36 1', '36 40 H 20.40 -9.34 H 18.42 -10.98 H 13.47 -15.11 C:17 24.64 -7.43 C:14 18.29 -7.59 C:22 11.50 -16.10 C:27 13.07 -16.10 C:19 13.47 -11.27 C:25 17.40 -13.41 C:16 17.40 -9.08 O 9.89 -14.82 O 23.84 -10.10 C:35 11.09 -12.70 C:28 16.10 -14.16 C:22 14.82 -10.48 C:25 22.33 -6.72 C:20 14.82 -14.87 C:37 12.29 -12.02 C:24 20.97 -7.03 C:27 16.10 -9.74 C:32 19.60 -11.20 C:32 18.75 -12.32 O 21.51 -9.39 C:215 11.09 -14.10 C:136 14.82 -11.90 C:134 16.10 -12.64 C:32 23.29 -7.75 C:42 19.19 -8.64 C:97 22.88 -9.08 C:48 12.29 -14.82 C:70 20.54 -8.34 C:47 18.75 -10.02 C:52 13.47 -14.16 C:37 13.47 -12.64 C:51 17.40 -11.90 C:45 17.40 -10.48 31 1 -1 32 2 -2 33 3 -2 27 4 -2 28 5 -2 30 6 -1 30 7 -2 34 8 -1 35 9 -2 36 10 -1 11 24 2 29 12 -1 13 18 1 13 24 1 14 17 1 14 26 1 15 20 1 15 25 1 16 19 1 16 27 1 17 33 1 18 34 1 19 31 1 20 36 1 21 22 1 21 32 1 22 35 1 23 29 1 23 31 1 24 30 1 25 26 2 25 34 1 26 35 1 27 29 1 28 31 1 28 32 1 30 33 1 32 36 1 33 34 1 35 36 1', 'C30H48O3', 456.343, 'B', 'np08_2077_3', 4121, '', '', '1', 1, NULL, NULL),
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17.46 -14.95 C:142 20.24 -5.45 C:110 20.56 -6.56 C:143 18.70 -6.56 C:32 17.46 -8.46 C:26 16.37 -9.09 C:69 14.95 -9.85 C:31 19.68 -10.96 C:31 12.45 -11.03 C:39 14.44 -13.27 O 21.83 -9.57 O 13.82 -9.06 O 20.66 -9.09 O 14.25 -15.39 O 18.65 -12.95 O 16.37 -14.24 O 17.54 -9.65 O 16.37 -11.70 O 18.56 -11.74 O 19.06 -5.45 C:169 21.75 -8.37 C:170 13.07 -16.07 C:170 16.37 -15.60 C:174 20.66 -10.33 C:172 12.57 -9.65 C:174 18.65 -14.28 C:123 19.68 -7.25 C:35 19.79 -14.91 C:33 13.13 -12.02 C:48 18.65 -10.33 C:71 19.68 -8.49 C:82 14.25 -14.01 C:70 17.46 -12.27 C:120 19.68 -12.35 C:39 18.65 -9.09 C:46 13.13 -13.31 C:85 16.37 -10.33 C:86 15.28 -12.27 C:45 15.28 -11.03 C:87 17.46 -11.03 C:86 16.37 -12.86 1 25 1 2 35 1 3 36 1 4 37 1 5 42 1 6 42 1 7 48 1 49 8 -2 50 9 -1 10 35 2 11 36 2 12 37 2 13 38 2 14 39 2 15 40 2 16 17 2 16 34 1 17 41 1 18 34 1 18 41 2 19 20 1 19 49 1 20 51 1 21 26 1 53 21 -2 22 38 1 44 22 -1 23 39 1 43 23 -2 24 50 1 24 52 1 25 38 1 26 39 1 27 35 1 27 45 1 28 36 1 46 28 -1 29 40 1 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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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'[H][C@:36]6([CH2:34][C:173](=O)O[CH3:52])[C@:46]5([CH3:15])[CH2:41][C@:86]47O[C:119]3([CH3:21])O[C@@:87]2([CH2:26][CH2:32][C@@:39]([CH3:21])([C@@H:71](O[C:169]([CH3:22])=O)[c:123]1[cH:110][cH:142]o[cH:143]1)[C@@H:48]([CH2:32][C:175](=O)O[CH3:52])[C@@:87]2(O3)[C@H:70](O[C:174](=O)[CH:35]([CH3:19])[CH3:18])[C@@:87]4(O[C:170]([CH3:22])=O)[C@H:81]5O[C:171]([CH3:22])=O)[C@:46]67[CH3:17]', '57 63 H 14.69 -11.01 C:16001 24.60 -10.20 C:7001 9.85 -11.95 C:17002 24.46 -8.95 C:3002 14.63 -17.44 C:2002 16.73 -16.30 C:30003 21.34 -16.26 C:30201 22.54 -14.23 C:8002 22.43 -12.94 C:18 20.20 -7.68 C:28 13.58 -13.91 C:19 15.62 -10.31 O 23.30 -7.02 O 13.44 -15.38 O 19.13 -16.26 O 23.22 -10.95 O 12.27 -13.35 O 19.01 -14.94 C:23 21.79 -5.44 C:22 22.11 -6.55 C:21 20.25 -6.55 C:12 19.01 -8.45 C:11 17.92 -9.08 C:15 21.23 -10.95 C:6 13.49 -11.25 C:29 15.99 -13.26 O 23.38 -9.56 O 11.06 -11.25 O 22.21 -9.08 O 15.80 -15.38 O 20.20 -12.94 O 17.92 -14.23 O 19.09 -9.64 O 17.92 -11.69 O 20.11 -11.73 O 20.61 -5.44 C:17001 23.30 -8.36 C:3001 14.63 -16.06 C:2001 17.92 -15.59 C:16 22.21 -10.31 C:7 12.27 -11.95 C:30001 20.20 -14.27 C:20 21.23 -7.24 C:30002 21.34 -14.90 C:17 21.23 -8.48 C:14 20.20 -10.31 C:3 15.80 -14.00 C:30 19.01 -12.26 C:8001 21.23 -12.34 C:5 14.69 -12.01 C:13 20.20 -9.08 C:4 14.69 -13.30 C:10 16.83 -11.01 C:9 17.92 -10.31 C:1 16.83 -12.26 C:2 17.92 -12.85 C:8 19.01 -11.01 50 1 -1 2 27 1 3 28 1 4 37 1 5 38 1 6 39 1 7 44 1 8 44 1 9 49 1 51 10 -2 52 11 -1 53 12 -2 13 37 2 14 38 2 15 39 2 16 40 2 17 41 2 18 42 2 19 20 2 19 36 1 20 43 1 21 36 1 21 43 2 22 23 1 22 51 1 23 54 1 24 40 1 46 24 -1 25 41 1 25 50 1 26 52 1 26 55 1 27 40 1 28 41 1 29 37 1 29 45 1 30 38 1 47 30 -1 31 42 1 48 31 -2 32 39 1 56 32 -2 33 49 1 54 33 -2 34 49 1 55 34 -2 35 49 1 57 35 -2 42 44 1 45 43 -2 45 51 1 46 51 1 46 57 1 47 52 1 47 56 1 48 56 1 48 57 1 50 52 1 50 53 1 53 54 1 53 55 1 54 57 1 55 56 1', '57 63 H 14.69 -11.01 C 24.60 -10.20 C 9.85 -11.95 C 24.46 -8.95 C 14.63 -17.44 C 16.73 -16.30 C 21.34 -16.26 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-8.48 C:48 20.20 -10.31 C:81 15.80 -14.00 C:70 19.01 -12.26 C:119 21.23 -12.34 C:36 14.69 -12.01 C:39 20.20 -9.08 C:46 14.69 -13.30 C:46 16.83 -11.01 C:87 17.92 -10.31 C:86 16.83 -12.26 C:87 17.92 -12.85 C:87 19.01 -11.01 50 1 -1 2 27 1 3 28 1 4 37 1 5 38 1 6 39 1 7 44 1 8 44 1 9 49 1 51 10 -2 52 11 -1 53 12 -2 13 37 2 14 38 2 15 39 2 16 40 2 17 41 2 18 42 2 19 20 2 19 36 1 20 43 1 21 36 1 21 43 2 22 23 1 22 51 1 23 54 1 24 40 1 46 24 -1 25 41 1 25 50 1 26 52 1 26 55 1 27 40 1 28 41 1 29 37 1 29 45 1 30 38 1 47 30 -1 31 42 1 48 31 -2 32 39 1 56 32 -2 33 49 1 54 33 -2 34 49 1 55 34 -2 35 49 1 57 35 -2 42 44 1 45 43 -2 45 51 1 46 51 1 46 57 1 47 52 1 47 56 1 48 56 1 48 57 1 50 52 1 50 53 1 53 54 1 53 55 1 54 57 1 55 56 1', 'C40H52O16', 788.426, 'C', 'np07_9_2', 4123, '', '', '1', 1, NULL, NULL),
(16460, 'Kotschyin C', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:5]4([CH2:6][C:7](=O)O[CH3:7001])[C@:4]7([CH3:28])[CH2:29][C@@:1]56O[C:8001]3([CH3:8002])O[C@:8]2([C@H:14]([CH2:15][C:16](=O)O[CH3:16001])[C@:13]([CH3:18])([C:17](=O)[c:20]1[cH:22][cH:23]o[cH:21]1)[CH2:12][C@@H:11](O[C:11001]([CH3:11002])=O)[C@:9]2(O3)[C@:10]45[CH3:19])[C@H:30](O[C:30001](=O)[CH:30002]([CH3:30201])[CH3:30003])[C@@:2]6(O[C:2001]([CH3:2002])=O)[C@H:3]7O[C:3001]([CH3:3002])=O', '[H][C@]4(CC(=O)OC)[C@]7(C)C[C@@]56OC3(C)O[C@]2([C@H](CC(=O)OC)[C@](C)(C(=O)c1ccoc1)C[C@@H](OC(C)=O)[C@]2(O3)[C@]45C)[C@H](OC(=O)C(C)C)[C@@]6(OC(C)=O)[C@H]7OC(C)=O', 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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16477, 'isoetin-7-O-b-D-glucopyranosyl-2''-O-a-D-glucopyranoside', '', 'Flavonoids', 'Flavonoids', 'Flavones', 'O=[c:4]4[cH:3][c:2]([c:101]1[cH:102][c:103](O)[c:104](O)[cH:105][c:106]1O[C@@H:301]2O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]2O)o[c:9]5[cH:8][c:7](O[C@@H:201]3O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]3O)[cH:6][c:5](O)[c:10]45', 'O=c4cc(c1cc(O)c(O)cc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc5cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c45', 'O=[c:182]4[cH:109][c:162]([c:110]1[cH:115][c:141](O)[c:150](O)[cH:105][c:150]1O[C@@H:101]2O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:74]2O)o[c:157]5[cH:95][c:163](O[C@@H:100]3O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:73]3O)[cH:100][c:161](O)[c:105]45', '44 48 O 18.46 -17.34 O 9.97 -9.63 O 23.32 -7.54 O 24.51 -11.05 O 24.51 -13.86 O 16.05 -17.34 O 13.60 -7.54 O 19.68 -5.46 O 16.05 -8.94 O 17.26 -6.85 O 16.05 -11.76 O 17.26 -9.63 C:105 22.11 -11.05 C:6 14.82 -15.25 C:102 22.11 -13.86 C:3 19.68 -15.25 C:8 16.05 -13.16 C:206 11.18 -8.94 C:306 22.11 -6.85 O 13.60 -13.16 O 19.68 -11.05 O 12.39 -11.05 O 20.90 -8.94 O 18.46 -13.16 C:104 23.32 -11.76 C:103 23.32 -13.16 C:7 14.82 -13.86 C:5 16.05 -15.96 C:106 20.90 -11.76 C:2 19.68 -13.86 C:101 20.90 -13.16 C:4 18.46 -15.96 C:9 17.26 -13.86 C:10 17.26 -15.25 C:205 12.39 -9.63 C:305 20.90 -7.54 C:204 13.60 -8.94 C:304 19.68 -6.85 C:203 14.82 -9.63 C:303 18.46 -7.54 C:202 14.82 -11.05 C:302 18.46 -8.94 C:201 13.60 -11.76 C:301 19.68 -9.63 1 32 2 2 18 1 3 19 1 4 25 1 5 26 1 6 28 1 37 7 -1 38 8 -2 39 9 -2 40 10 -1 41 11 -1 42 12 -2 13 25 1 13 29 2 14 27 1 14 28 2 15 26 1 15 31 2 16 30 2 16 32 1 17 27 2 17 33 1 35 18 -2 36 19 -1 20 27 1 43 20 -2 21 29 1 44 21 -1 22 35 1 22 43 1 23 36 1 23 44 1 24 30 1 24 33 1 25 26 2 28 34 1 29 31 1 30 31 1 32 34 1 33 34 2 35 37 1 36 38 1 37 39 1 38 40 1 39 41 1 40 42 1 41 43 1 42 44 1', '44 48 O 18.46 -17.34 O 9.97 -9.63 O 23.32 -7.54 O 24.51 -11.05 O 24.51 -13.86 O 16.05 -17.34 O 13.60 -7.54 O 19.68 -5.46 O 16.05 -8.94 O 17.26 -6.85 O 16.05 -11.76 O 17.26 -9.63 C 22.11 -11.05 C 14.82 -15.25 C 22.11 -13.86 C 19.68 -15.25 C 16.05 -13.16 C 11.18 -8.94 C 22.11 -6.85 O 13.60 -13.16 O 19.68 -11.05 O 12.39 -11.05 O 20.90 -8.94 O 18.46 -13.16 C 23.32 -11.76 C 23.32 -13.16 C 14.82 -13.86 C 16.05 -15.96 C 20.90 -11.76 C 19.68 -13.86 C 20.90 -13.16 C 18.46 -15.96 C 17.26 -13.86 C 17.26 -15.25 C 12.39 -9.63 C 20.90 -7.54 C 13.60 -8.94 C 19.68 -6.85 C 14.82 -9.63 C 18.46 -7.54 C 14.82 -11.05 C 18.46 -8.94 C 13.60 -11.76 C 19.68 -9.63 1 32 2 2 18 1 3 19 1 4 25 1 5 26 1 6 28 1 37 7 -1 38 8 -2 39 9 -2 40 10 -1 41 11 -1 42 12 -2 13 25 1 13 29 2 14 27 1 14 28 2 15 26 1 15 31 2 16 30 2 16 32 1 17 27 2 17 33 1 35 18 -2 36 19 -1 20 27 1 43 20 -2 21 29 1 44 21 -1 22 35 1 22 43 1 23 36 1 23 44 1 24 30 1 24 33 1 25 26 2 28 34 1 29 31 1 30 31 1 32 34 1 33 34 2 35 37 1 36 38 1 37 39 1 38 40 1 39 41 1 40 42 1 41 43 1 42 44 1', '44 48 O 18.46 -17.34 O 9.97 -9.63 O 23.32 -7.54 O 24.51 -11.05 O 24.51 -13.86 O 16.05 -17.34 O 13.60 -7.54 O 19.68 -5.46 O 16.05 -8.94 O 17.26 -6.85 O 16.05 -11.76 O 17.26 -9.63 C:105 22.11 -11.05 C:100 14.82 -15.25 C:115 22.11 -13.86 C:109 19.68 -15.25 C:95 16.05 -13.16 C:61 11.18 -8.94 C:61 22.11 -6.85 O 13.60 -13.16 O 19.68 -11.05 O 12.39 -11.05 O 20.90 -8.94 O 18.46 -13.16 C:150 23.32 -11.76 C:141 23.32 -13.16 C:163 14.82 -13.86 C:161 16.05 -15.96 C:150 20.90 -11.76 C:162 19.68 -13.86 C:110 20.90 -13.16 C:182 18.46 -15.96 C:157 17.26 -13.86 C:105 17.26 -15.25 C:77 12.39 -9.63 C:77 20.90 -7.54 C:70 13.60 -8.94 C:70 19.68 -6.85 C:77 14.82 -9.63 C:77 18.46 -7.54 C:73 14.82 -11.05 C:74 18.46 -8.94 C:100 13.60 -11.76 C:101 19.68 -9.63 1 32 2 2 18 1 3 19 1 4 25 1 5 26 1 6 28 1 37 7 -1 38 8 -2 39 9 -2 40 10 -1 41 11 -1 42 12 -2 13 25 1 13 29 2 14 27 1 14 28 2 15 26 1 15 31 2 16 30 2 16 32 1 17 27 2 17 33 1 35 18 -2 36 19 -1 20 27 1 43 20 -2 21 29 1 44 21 -1 22 35 1 22 43 1 23 36 1 23 44 1 24 30 1 24 33 1 25 26 2 28 34 1 29 31 1 30 31 1 32 34 1 33 34 2 35 37 1 36 38 1 37 39 1 38 40 1 39 41 1 40 42 1 41 43 1 42 44 1', 'C27H30O17', 626.279, 'D', 'ccl07_1367_2', 4126, '', '', '1', 1, NULL, NULL),
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(16489, '6''-Hydroxy justicidin B', '', 'Lignans', 'Lignans', 'Cyclolignans', '[CH3:5001]O[c:5]5[cH:6][c:1]4[cH:7][c:8]1[CH2:9]O[C:109](=O)[c:108]1[c:107]([c:101]3[cH:102][c:103]2O[CH2:103001]O[c:104]2[cH:105][c:106]3O)[c:2]4[cH:3][c:4]5O[CH3:4001]', 'COc5cc4cc1COC(=O)c1c(c3cc2OCOc2cc3O)c4cc5OC', '[CH3:55]O[c:150]5[cH:107][c:128]4[cH:119][c:140]1[CH2:68]O[C:170](=O)[c:119]1[c:136]([c:113]3[cH:110][c:140]2O[CH2:101]O[c:148]2[cH:98][c:150]3O)[c:133]4[cH:106][c:152]5O[CH3:56]', '28 32 C:5001 13.76 -6.49 C:4001 12.55 -9.99 O 21.60 -11.77 O 16.20 -12.09 C:105 17.41 -14.20 C:102 19.82 -12.80 C:7 18.62 -7.90 C:6 16.20 -7.90 C:3 16.20 -10.70 C:103001 20.30 -16.40 C:9 21.16 -8.17 O 13.76 -7.90 O 13.76 -10.70 O 21.99 -9.30 O 18.91 -16.26 O 20.88 -15.13 C:109 21.16 -10.43 C:106 17.41 -12.80 C:8 19.82 -8.60 C:104 18.62 -14.90 C:103 19.82 -14.20 C:5 14.98 -8.60 C:4 14.98 -9.99 C:101 18.62 -12.09 C:108 19.82 -9.99 C:107 18.62 -10.70 C:1 17.41 -8.60 C:2 17.41 -9.99 1 12 1 2 13 1 3 17 2 4 18 1 5 18 1 5 20 2 6 21 2 6 24 1 7 19 2 7 27 1 8 22 1 8 27 2 9 23 1 9 28 2 10 15 1 10 16 1 11 14 1 11 19 1 12 22 1 13 23 1 14 17 1 15 20 1 16 21 1 17 25 1 18 24 2 19 25 1 20 21 1 22 23 2 24 26 1 25 26 2 26 28 1 27 28 1', '28 32 C 13.76 -6.49 C 12.55 -9.99 O 21.60 -11.77 O 16.20 -12.09 C 17.41 -14.20 C 19.82 -12.80 C 18.62 -7.90 C 16.20 -7.90 C 16.20 -10.70 C 20.30 -16.40 C 21.16 -8.17 O 13.76 -7.90 O 13.76 -10.70 O 21.99 -9.30 O 18.91 -16.26 O 20.88 -15.13 C 21.16 -10.43 C 17.41 -12.80 C 19.82 -8.60 C 18.62 -14.90 C 19.82 -14.20 C 14.98 -8.60 C 14.98 -9.99 C 18.62 -12.09 C 19.82 -9.99 C 18.62 -10.70 C 17.41 -8.60 C 17.41 -9.99 1 12 1 2 13 1 3 17 2 4 18 1 5 18 1 5 20 2 6 21 2 6 24 1 7 19 2 7 27 1 8 22 1 8 27 2 9 23 1 9 28 2 10 15 1 10 16 1 11 14 1 11 19 1 12 22 1 13 23 1 14 17 1 15 20 1 16 21 1 17 25 1 18 24 2 19 25 1 20 21 1 22 23 2 24 26 1 25 26 2 26 28 1 27 28 1', '28 32 C:55 13.76 -6.49 C:56 12.55 -9.99 O 21.60 -11.77 O 16.20 -12.09 C:98 17.41 -14.20 C:110 19.82 -12.80 C:119 18.62 -7.90 C:107 16.20 -7.90 C:106 16.20 -10.70 C:101 20.30 -16.40 C:68 21.16 -8.17 O 13.76 -7.90 O 13.76 -10.70 O 21.99 -9.30 O 18.91 -16.26 O 20.88 -15.13 C:170 21.16 -10.43 C:150 17.41 -12.80 C:140 19.82 -8.60 C:148 18.62 -14.90 C:140 19.82 -14.20 C:150 14.98 -8.60 C:152 14.98 -9.99 C:113 18.62 -12.09 C:119 19.82 -9.99 C:136 18.62 -10.70 C:128 17.41 -8.60 C:133 17.41 -9.99 1 12 1 2 13 1 3 17 2 4 18 1 5 18 1 5 20 2 6 21 2 6 24 1 7 19 2 7 27 1 8 22 1 8 27 2 9 23 1 9 28 2 10 15 1 10 16 1 11 14 1 11 19 1 12 22 1 13 23 1 14 17 1 15 20 1 16 21 1 17 25 1 18 24 2 19 25 1 20 21 1 22 23 2 24 26 1 25 26 2 26 28 1 27 28 1', 'C21H16O7', 380.22, 'D', 'mrc06_727_2', 4129, '', '9', '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
(16490, '6''-Hydroxy justicidin C', '', 'Lignans', 'Lignans', 'Cyclolignans', '[CH3:5001]O[c:5]5[cH:6][c:1]4[c:7](O[CH3:7001])[c:8]1[C:9](=O)O[CH2:109][c:108]1[c:107]([c:101]3[cH:102][c:103]2O[CH2:103001]O[c:104]2[cH:105][c:106]3O)[c:2]4[cH:3][c:4]5O[CH3:4001]', 'COc5cc4c(OC)c1C(=O)OCc1c(c3cc2OCOc2cc3O)c4cc5OC', '[CH3:56]O[c:152]5[cH:102][c:133]4[c:154](O[CH3:63])[c:110]1[C:169](=O)O[CH2:69][c:140]1[c:124]([c:113]3[cH:110][c:140]2O[CH2:101]O[c:148]2[cH:98][c:150]3O)[c:123]4[cH:105][c:150]5O[CH3:56]', '30 34 C:5001 13.73 -6.80 C:4001 12.54 -10.28 C:7001 19.79 -6.09 O 21.56 -7.12 O 16.18 -12.41 C:105 17.39 -14.51 C:102 19.79 -13.11 C:6 16.18 -8.20 C:3 16.18 -11.00 C:103001 20.29 -16.72 C:109 21.13 -10.73 O 13.73 -8.20 O 13.73 -11.00 O 18.60 -6.80 O 21.97 -9.60 O 18.89 -16.59 O 20.85 -15.44 C:9 21.13 -8.45 C:106 17.39 -13.11 C:104 18.60 -15.21 C:103 19.79 -14.51 C:5 14.95 -8.90 C:4 14.95 -10.28 C:101 18.60 -12.41 C:108 19.79 -10.28 C:7 18.60 -8.20 C:8 19.79 -8.90 C:107 18.60 -11.00 C:1 17.39 -8.90 C:2 17.39 -10.28 1 12 1 2 13 1 3 14 1 4 18 2 5 19 1 6 19 1 6 20 2 7 21 2 7 24 1 8 22 1 8 29 2 9 23 1 9 30 2 10 16 1 10 17 1 11 15 1 11 25 1 12 22 1 13 23 1 14 26 1 15 18 1 16 20 1 17 21 1 18 27 1 19 24 2 20 21 1 22 23 2 24 28 1 25 27 1 25 28 2 26 27 2 26 29 1 28 30 1 29 30 1', '30 34 C 13.73 -6.80 C 12.54 -10.28 C 19.79 -6.09 O 21.56 -7.12 O 16.18 -12.41 C 17.39 -14.51 C 19.79 -13.11 C 16.18 -8.20 C 16.18 -11.00 C 20.29 -16.72 C 21.13 -10.73 O 13.73 -8.20 O 13.73 -11.00 O 18.60 -6.80 O 21.97 -9.60 O 18.89 -16.59 O 20.85 -15.44 C 21.13 -8.45 C 17.39 -13.11 C 18.60 -15.21 C 19.79 -14.51 C 14.95 -8.90 C 14.95 -10.28 C 18.60 -12.41 C 19.79 -10.28 C 18.60 -8.20 C 19.79 -8.90 C 18.60 -11.00 C 17.39 -8.90 C 17.39 -10.28 1 12 1 2 13 1 3 14 1 4 18 2 5 19 1 6 19 1 6 20 2 7 21 2 7 24 1 8 22 1 8 29 2 9 23 1 9 30 2 10 16 1 10 17 1 11 15 1 11 25 1 12 22 1 13 23 1 14 26 1 15 18 1 16 20 1 17 21 1 18 27 1 19 24 2 20 21 1 22 23 2 24 28 1 25 27 1 25 28 2 26 27 2 26 29 1 28 30 1 29 30 1', '30 34 C:56 13.73 -6.80 C:56 12.54 -10.28 C:63 19.79 -6.09 O 21.56 -7.12 O 16.18 -12.41 C:98 17.39 -14.51 C:110 19.79 -13.11 C:102 16.18 -8.20 C:105 16.18 -11.00 C:101 20.29 -16.72 C:69 21.13 -10.73 O 13.73 -8.20 O 13.73 -11.00 O 18.60 -6.80 O 21.97 -9.60 O 18.89 -16.59 O 20.85 -15.44 C:169 21.13 -8.45 C:150 17.39 -13.11 C:148 18.60 -15.21 C:140 19.79 -14.51 C:152 14.95 -8.90 C:150 14.95 -10.28 C:113 18.60 -12.41 C:140 19.79 -10.28 C:154 18.60 -8.20 C:110 19.79 -8.90 C:124 18.60 -11.00 C:133 17.39 -8.90 C:123 17.39 -10.28 1 12 1 2 13 1 3 14 1 4 18 2 5 19 1 6 19 1 6 20 2 7 21 2 7 24 1 8 22 1 8 29 2 9 23 1 9 30 2 10 16 1 10 17 1 11 15 1 11 25 1 12 22 1 13 23 1 14 26 1 15 18 1 16 20 1 17 21 1 18 27 1 19 24 2 20 21 1 22 23 2 24 28 1 25 27 1 25 28 2 26 27 2 26 29 1 28 30 1 29 30 1', 'C22H18O8', 410.231, 'D', 'mrc06_727_3', 4129, '', '9', '1', 1, NULL, NULL),
(16491, 'Neojusticin A', '', 'Lignans', 'Lignans', 'Cyclolignans', '[CH3:7001]O[c:7]5[c:8]1[C:9](=O)O[CH2:109][c:108]1[c:107]([c:101]3[cH:106][cH:105][c:104]2O[CH2:103001]O[c:103]2[cH:102]3)[c:2]6[cH:3][c:4]4O[CH2:4001]O[c:5]4[cH:6][c:1]56', 'COc5c1C(=O)OCc1c(c3ccc2OCOc2c3)c6cc4OCOc4cc56', '[CH3:64]O[c:155]5[c:111]1[C:169](=O)O[CH2:69][c:140]1[c:128]([c:129]3[cH:124][cH:109][c:148]2O[CH2:102]O[c:148]2[cH:110]3)[c:125]6[cH:102][c:149]4O[CH2:103]O[c:152]4[cH:100][c:135]56', '28 33 C:7001 19.64 -6.13 O 21.41 -7.16 C:106 17.24 -13.13 C:105 17.24 -14.54 C:102 19.64 -13.13 C:6 16.02 -8.23 C:3 16.02 -11.04 C:103001 20.14 -16.74 C:4001 12.64 -9.63 C:109 20.98 -10.76 O 18.45 -6.83 O 21.81 -9.63 O 18.74 -16.61 O 20.70 -15.46 O 13.48 -8.49 O 13.48 -10.76 C:9 20.98 -8.49 C:101 18.45 -12.42 C:104 18.45 -15.24 C:103 19.64 -14.54 C:5 14.80 -8.93 C:4 14.80 -10.33 C:108 19.64 -10.33 C:7 18.45 -8.23 C:8 19.64 -8.93 C:107 18.45 -11.04 C:1 17.24 -8.93 C:2 17.24 -10.33 1 11 1 2 17 2 3 4 1 3 18 2 4 19 2 5 18 1 5 20 2 6 21 1 6 27 2 7 22 1 7 28 2 8 13 1 8 14 1 9 15 1 9 16 1 10 12 1 10 23 1 11 24 1 12 17 1 13 19 1 14 20 1 15 21 1 16 22 1 17 25 1 18 26 1 19 20 1 21 22 2 23 25 1 23 26 2 24 25 2 24 27 1 26 28 1 27 28 1', '28 33 C 19.64 -6.13 O 21.41 -7.16 C 17.24 -13.13 C 17.24 -14.54 C 19.64 -13.13 C 16.02 -8.23 C 16.02 -11.04 C 20.14 -16.74 C 12.64 -9.63 C 20.98 -10.76 O 18.45 -6.83 O 21.81 -9.63 O 18.74 -16.61 O 20.70 -15.46 O 13.48 -8.49 O 13.48 -10.76 C 20.98 -8.49 C 18.45 -12.42 C 18.45 -15.24 C 19.64 -14.54 C 14.80 -8.93 C 14.80 -10.33 C 19.64 -10.33 C 18.45 -8.23 C 19.64 -8.93 C 18.45 -11.04 C 17.24 -8.93 C 17.24 -10.33 1 11 1 2 17 2 3 4 1 3 18 2 4 19 2 5 18 1 5 20 2 6 21 1 6 27 2 7 22 1 7 28 2 8 13 1 8 14 1 9 15 1 9 16 1 10 12 1 10 23 1 11 24 1 12 17 1 13 19 1 14 20 1 15 21 1 16 22 1 17 25 1 18 26 1 19 20 1 21 22 2 23 25 1 23 26 2 24 25 2 24 27 1 26 28 1 27 28 1', '28 33 C:64 19.64 -6.13 O 21.41 -7.16 C:124 17.24 -13.13 C:109 17.24 -14.54 C:110 19.64 -13.13 C:100 16.02 -8.23 C:102 16.02 -11.04 C:102 20.14 -16.74 C:103 12.64 -9.63 C:69 20.98 -10.76 O 18.45 -6.83 O 21.81 -9.63 O 18.74 -16.61 O 20.70 -15.46 O 13.48 -8.49 O 13.48 -10.76 C:169 20.98 -8.49 C:129 18.45 -12.42 C:148 18.45 -15.24 C:148 19.64 -14.54 C:152 14.80 -8.93 C:149 14.80 -10.33 C:140 19.64 -10.33 C:155 18.45 -8.23 C:111 19.64 -8.93 C:128 18.45 -11.04 C:135 17.24 -8.93 C:125 17.24 -10.33 1 11 1 2 17 2 3 4 1 3 18 2 4 19 2 5 18 1 5 20 2 6 21 1 6 27 2 7 22 1 7 28 2 8 13 1 8 14 1 9 15 1 9 16 1 10 12 1 10 23 1 11 24 1 12 17 1 13 19 1 14 20 1 15 21 1 16 22 1 17 25 1 18 26 1 19 20 1 21 22 2 23 25 1 23 26 2 24 25 2 24 27 1 26 28 1 27 28 1', 'C21H14O7', 378.22, 'D', 'mrc06_727_4', 4129, '', '9', '1', 1, NULL, NULL),
(16492, 'Chinensinaphthol methyl ester', '', 'Lignans', 'Lignans', 'Cyclolignans', '[CH3:104001]O[c:104]5[cH:105][cH:106][c:101]([c:107]3[c:108]1[C:109](=O)O[CH2:9][c:8]1[c:7](O[CH3:7001])[c:1]4[cH:6][c:5]2O[CH2:4001]O[c:4]2[cH:3][c:2]34)[cH:102][c:103]5O[CH3:103001]', 'COc5ccc(c3c1C(=O)OCc1c(OC)c4cc2OCOc2cc34)cc5OC', '[CH3:56]O[c:148]5[cH:111][cH:123][c:127]([c:134]3[c:120]1[C:169](=O)O[CH2:67][c:125]1[c:148](O[CH3:60])[c:131]4[cH:98][c:149]2O[CH2:102]O[c:150]2[cH:103][c:127]34)[cH:114][c:149]5O[CH3:56]', '29 33 C:104001 17.26 -17.02 C:103001 20.86 -16.32 C:7001 19.66 -5.79 O 21.44 -11.78 C:106 17.26 -12.81 C:105 17.26 -14.22 C:102 19.66 -12.81 C:6 16.04 -7.90 C:3 16.04 -10.71 C:4001 12.66 -9.30 C:9 21.00 -8.16 O 18.47 -16.32 O 20.86 -14.92 O 18.47 -6.50 O 21.83 -9.30 O 13.50 -8.16 O 13.50 -10.43 C:109 21.00 -10.43 C:101 18.47 -12.10 C:104 18.47 -14.92 C:103 19.66 -14.22 C:5 14.82 -8.60 C:4 14.82 -10.00 C:8 19.66 -8.60 C:7 18.47 -7.90 C:108 19.66 -10.00 C:107 18.47 -10.71 C:1 17.26 -8.60 C:2 17.26 -10.00 1 12 1 2 13 1 3 14 1 4 18 2 5 6 1 5 19 2 6 20 2 7 19 1 7 21 2 8 22 1 8 28 2 9 23 1 9 29 2 10 16 1 10 17 1 11 15 1 11 24 1 12 20 1 13 21 1 14 25 1 15 18 1 16 22 1 17 23 1 18 26 1 19 27 1 20 21 1 22 23 2 24 25 2 24 26 1 25 28 1 26 27 2 27 29 1 28 29 1', '29 33 C 17.26 -17.02 C 20.86 -16.32 C 19.66 -5.79 O 21.44 -11.78 C 17.26 -12.81 C 17.26 -14.22 C 19.66 -12.81 C 16.04 -7.90 C 16.04 -10.71 C 12.66 -9.30 C 21.00 -8.16 O 18.47 -16.32 O 20.86 -14.92 O 18.47 -6.50 O 21.83 -9.30 O 13.50 -8.16 O 13.50 -10.43 C 21.00 -10.43 C 18.47 -12.10 C 18.47 -14.92 C 19.66 -14.22 C 14.82 -8.60 C 14.82 -10.00 C 19.66 -8.60 C 18.47 -7.90 C 19.66 -10.00 C 18.47 -10.71 C 17.26 -8.60 C 17.26 -10.00 1 12 1 2 13 1 3 14 1 4 18 2 5 6 1 5 19 2 6 20 2 7 19 1 7 21 2 8 22 1 8 28 2 9 23 1 9 29 2 10 16 1 10 17 1 11 15 1 11 24 1 12 20 1 13 21 1 14 25 1 15 18 1 16 22 1 17 23 1 18 26 1 19 27 1 20 21 1 22 23 2 24 25 2 24 26 1 25 28 1 26 27 2 27 29 1 28 29 1', '29 33 C:56 17.26 -17.02 C:56 20.86 -16.32 C:60 19.66 -5.79 O 21.44 -11.78 C:123 17.26 -12.81 C:111 17.26 -14.22 C:114 19.66 -12.81 C:98 16.04 -7.90 C:103 16.04 -10.71 C:102 12.66 -9.30 C:67 21.00 -8.16 O 18.47 -16.32 O 20.86 -14.92 O 18.47 -6.50 O 21.83 -9.30 O 13.50 -8.16 O 13.50 -10.43 C:169 21.00 -10.43 C:127 18.47 -12.10 C:148 18.47 -14.92 C:149 19.66 -14.22 C:149 14.82 -8.60 C:150 14.82 -10.00 C:125 19.66 -8.60 C:148 18.47 -7.90 C:120 19.66 -10.00 C:134 18.47 -10.71 C:131 17.26 -8.60 C:127 17.26 -10.00 1 12 1 2 13 1 3 14 1 4 18 2 5 6 1 5 19 2 6 20 2 7 19 1 7 21 2 8 22 1 8 28 2 9 23 1 9 29 2 10 16 1 10 17 1 11 15 1 11 24 1 12 20 1 13 21 1 14 25 1 15 18 1 16 22 1 17 23 1 18 26 1 19 27 1 20 21 1 22 23 2 24 25 2 24 26 1 25 28 1 26 27 2 27 29 1 28 29 1', 'C22H18O7', 394.231, 'D', 'mrc06_727_5', 4129, '', '9', '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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(16505, 'Cappariloside A', '', 'Alkaloids', 'Indols', '', 'N#[C:3002][CH2:3001][c:3]2[cH:2][nH][c:8]3[cH:7][cH:6][cH:5][c:4](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[c:9]23', 'N#CCc2cnc3cccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c23', 'N#[C:121][CH2:16][c:105]2[cH:124][nH][c:140]3[cH:107][cH:123][cH:105][c:153](O[C@@H:103]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:75]1O)[c:118]23', '24 26 N 22.55 -11.14 O 11.96 -12.82 O 14.40 -7.22 O 11.96 -8.60 O 16.83 -8.60 C:3002 21.18 -11.42 C:6 15.62 -14.87 C:5 15.62 -13.47 C:7 16.83 -15.58 C:2 20.20 -14.17 C:106 11.96 -11.42 C:3001 19.81 -11.72 N 19.38 -15.30 O 16.83 -11.42 O 14.40 -11.42 C:3 19.38 -13.05 C:4 16.83 -12.82 C:8 18.06 -14.87 C:9 18.06 -13.47 C:103 14.40 -8.60 C:104 13.19 -9.30 C:102 15.62 -9.30 C:105 13.19 -10.71 C:101 15.62 -10.71 1 6 3 2 11 1 20 3 -2 21 4 -1 22 5 -1 6 12 1 7 8 1 7 9 2 8 17 2 9 18 1 10 13 1 10 16 2 23 11 -2 12 16 1 13 18 1 14 17 1 24 14 -2 15 23 1 15 24 1 16 19 1 17 19 1 18 19 2 20 21 1 20 22 1 21 23 1 22 24 1', '24 26 N 22.55 -11.14 O 11.96 -12.82 O 14.40 -7.22 O 11.96 -8.60 O 16.83 -8.60 C 21.18 -11.42 C 15.62 -14.87 C 15.62 -13.47 C 16.83 -15.58 C 20.20 -14.17 C 11.96 -11.42 C 19.81 -11.72 N 19.38 -15.30 O 16.83 -11.42 O 14.40 -11.42 C 19.38 -13.05 C 16.83 -12.82 C 18.06 -14.87 C 18.06 -13.47 C 14.40 -8.60 C 13.19 -9.30 C 15.62 -9.30 C 13.19 -10.71 C 15.62 -10.71 1 6 3 2 11 1 20 3 -2 21 4 -1 22 5 -1 6 12 1 7 8 1 7 9 2 8 17 2 9 18 1 10 13 1 10 16 2 23 11 -2 12 16 1 13 18 1 14 17 1 24 14 -2 15 23 1 15 24 1 16 19 1 17 19 1 18 19 2 20 21 1 20 22 1 21 23 1 22 24 1', '24 26 N 22.55 -11.14 O 11.96 -12.82 O 14.40 -7.22 O 11.96 -8.60 O 16.83 -8.60 C:121 21.18 -11.42 C:123 15.62 -14.87 C:105 15.62 -13.47 C:107 16.83 -15.58 C:124 20.20 -14.17 C:62 11.96 -11.42 C:16 19.81 -11.72 N 19.38 -15.30 O 16.83 -11.42 O 14.40 -11.42 C:105 19.38 -13.05 C:153 16.83 -12.82 C:140 18.06 -14.87 C:118 18.06 -13.47 C:79 14.40 -8.60 C:71 13.19 -9.30 C:75 15.62 -9.30 C:79 13.19 -10.71 C:103 15.62 -10.71 1 6 3 2 11 1 20 3 -2 21 4 -1 22 5 -1 6 12 1 7 8 1 7 9 2 8 17 2 9 18 1 10 13 1 10 16 2 23 11 -2 12 16 1 13 18 1 14 17 1 24 14 -2 15 23 1 15 24 1 16 19 1 17 19 1 18 19 2 20 21 1 20 22 1 21 23 1 22 24 1', 'C16H17N2O6', 333.181, 'P', 'cb07_2852_4', 4132, '', '', '1', 1, NULL, NULL),
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