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
(15904, 'xylocarpins A', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:9]34[CH2:11][CH2:12][C@@:13]2([CH3:18])[C@H:17]([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[CH2:15][C@@:14]2([H])[C@@:8]36[CH2:30][CH:2]5[C@@H:3](O[C:3001](=O)[C:3002]([CH3:3201])=[CH:3003][CH3:3004])[C@@:4]([CH3:28])([CH3:29])[C@H:5]([CH2:6][C:7](=O)O[CH3:7001])[C@:10]4([CH3:19])[C:1]5(O)O6', '[H][C@]34CC[C@@]2(C)[C@H](c1ccoc1)OC(=O)C[C@@]2([H])[C@@]36CC5[C@@H](OC(=O)C(C)=CC)[C@@](C)(C)[C@H](CC(=O)OC)[C@]4(C)C5(O)O6', '[H][C@:65]34[CH2:20][CH2:37][C@@:37]2([CH3:23])[C@H:80]([c:123]1[cH:111][cH:145]o[cH:143]1)O[C:173](=O)[CH2:29][C@@:46]2([H])[C@@:81]36[CH2:30][CH:46]5[C@@H:78](O[C:169](=O)[C:130]([CH3:15])=[CH:139][CH3:12])[C@@:39]([CH3:23])([CH3:25])[C@H:41]([CH2:33][C:177](=O)O[CH3:53])[C@:45]4([CH3:21])[C:109]5(O)O6', '43 48 H 16.44 -8.81 H 19.52 -10.32 C:3004 17.32 -18.97 C:7001 11.39 -7.13 C:3201 14.93 -17.53 C:28 12.42 -12.63 C:29 13.10 -13.82 C:18 19.52 -6.73 C:19 14.99 -9.21 O 13.81 -8.51 O 23.08 -10.06 O 17.38 -14.75 O 15.07 -11.99 C:3003 17.32 -17.53 C:23 21.38 -3.83 C:22 21.87 -5.16 C:21 19.52 -5.16 C:11 17.19 -8.05 C:12 18.33 -7.37 C:6 12.61 -10.57 C:15 20.68 -10.06 C:30 18.33 -11.43 O 11.39 -8.51 O 21.87 -8.05 O 14.93 -14.75 O 17.32 -10.69 O 20.00 -3.83 C:3002 16.15 -16.86 C:7 12.61 -9.21 C:16 21.87 -9.39 C:3001 16.15 -15.46 C:20 20.68 -5.97 C:17 20.68 -7.37 C:2 16.28 -12.63 C:5 13.81 -11.29 C:3 14.99 -13.35 C:4 13.81 -12.63 C:9 17.19 -9.39 C:14 19.52 -9.39 C:13 19.52 -8.05 C:10 14.99 -10.57 C:1 16.28 -11.29 C:8 18.33 -10.06 38 1 -2 39 2 -2 3 14 1 4 23 1 5 28 1 37 6 -2 37 7 -1 40 8 -2 41 9 -2 10 29 2 11 30 2 12 31 2 13 42 1 14 28 2 15 16 2 15 27 1 16 32 1 17 27 1 17 32 2 18 19 1 18 38 1 19 40 1 20 29 1 35 20 -2 21 30 1 21 39 1 22 34 1 22 43 1 23 29 1 24 30 1 24 33 1 25 31 1 36 25 -1 26 42 1 43 26 -2 28 31 1 33 32 -2 33 40 1 34 36 1 34 42 1 35 37 1 35 41 1 36 37 1 38 41 1 38 43 1 39 40 1 39 43 1 41 42 1', '43 48 H 16.44 -8.81 H 19.52 -10.32 C 17.32 -18.97 C 11.39 -7.13 C 14.93 -17.53 C 12.42 -12.63 C 13.10 -13.82 C 19.52 -6.73 C 14.99 -9.21 O 13.81 -8.51 O 23.08 -10.06 O 17.38 -14.75 O 15.07 -11.99 C 17.32 -17.53 C 21.38 -3.83 C 21.87 -5.16 C 19.52 -5.16 C 17.19 -8.05 C 18.33 -7.37 C 12.61 -10.57 C 20.68 -10.06 C 18.33 -11.43 O 11.39 -8.51 O 21.87 -8.05 O 14.93 -14.75 O 17.32 -10.69 O 20.00 -3.83 C 16.15 -16.86 C 12.61 -9.21 C 21.87 -9.39 C 16.15 -15.46 C 20.68 -5.97 C 20.68 -7.37 C 16.28 -12.63 C 13.81 -11.29 C 14.99 -13.35 C 13.81 -12.63 C 17.19 -9.39 C 19.52 -9.39 C 19.52 -8.05 C 14.99 -10.57 C 16.28 -11.29 C 18.33 -10.06 38 1 -2 39 2 -2 3 14 1 4 23 1 5 28 1 37 6 -2 37 7 -1 40 8 -2 41 9 -2 10 29 2 11 30 2 12 31 2 13 42 1 14 28 2 15 16 2 15 27 1 16 32 1 17 27 1 17 32 2 18 19 1 18 38 1 19 40 1 20 29 1 35 20 -2 21 30 1 21 39 1 22 34 1 22 43 1 23 29 1 24 30 1 24 33 1 25 31 1 36 25 -1 26 42 1 43 26 -2 28 31 1 33 32 -2 33 40 1 34 36 1 34 42 1 35 37 1 35 41 1 36 37 1 38 41 1 38 43 1 39 40 1 39 43 1 41 42 1', '43 48 H 16.44 -8.81 H 19.52 -10.32 C:12 17.32 -18.97 C:53 11.39 -7.13 C:15 14.93 -17.53 C:23 12.42 -12.63 C:25 13.10 -13.82 C:23 19.52 -6.73 C:21 14.99 -9.21 O 13.81 -8.51 O 23.08 -10.06 O 17.38 -14.75 O 15.07 -11.99 C:139 17.32 -17.53 C:145 21.38 -3.83 C:111 21.87 -5.16 C:143 19.52 -5.16 C:20 17.19 -8.05 C:37 18.33 -7.37 C:33 12.61 -10.57 C:29 20.68 -10.06 C:30 18.33 -11.43 O 11.39 -8.51 O 21.87 -8.05 O 14.93 -14.75 O 17.32 -10.69 O 20.00 -3.83 C:130 16.15 -16.86 C:177 12.61 -9.21 C:173 21.87 -9.39 C:169 16.15 -15.46 C:123 20.68 -5.97 C:80 20.68 -7.37 C:46 16.28 -12.63 C:41 13.81 -11.29 C:78 14.99 -13.35 C:39 13.81 -12.63 C:65 17.19 -9.39 C:46 19.52 -9.39 C:37 19.52 -8.05 C:45 14.99 -10.57 C:109 16.28 -11.29 C:81 18.33 -10.06 38 1 -2 39 2 -2 3 14 1 4 23 1 5 28 1 37 6 -2 37 7 -1 40 8 -2 41 9 -2 10 29 2 11 30 2 12 31 2 13 42 1 14 28 2 15 16 2 15 27 1 16 32 1 17 27 1 17 32 2 18 19 1 18 38 1 19 40 1 20 29 1 35 20 -2 21 30 1 21 39 1 22 34 1 22 43 1 23 29 1 24 30 1 24 33 1 25 31 1 36 25 -1 26 42 1 43 26 -2 28 31 1 33 32 -2 33 40 1 34 36 1 34 42 1 35 37 1 35 41 1 36 37 1 38 41 1 38 43 1 39 40 1 39 43 1 41 42 1', 'C32H42O9', 570.353, 'M', 'mrc07_705_1', 3996, '', '', '1', 1, NULL, NULL),
(15905, 'xylocarpins B', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:9]34[CH2:11][CH2:12][C@@:13]2([CH3:18])[C@H:17]([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[CH2:15][C@@:14]2([H])[C@@:8]3(O)[CH2:30][CH:2]5[C:1](=O)[C@@:10]4([CH3:19])[C@@H:5]([CH2:6][C:7](=O)O[CH3:7001])[C@@:4]([CH3:29])([CH3:28])[C@@H:3]5O[C:3001](=O)[C:3002]([CH3:3201])=[CH:3003][CH3:3004]', '[H][C@]34CC[C@@]2(C)[C@H](c1ccoc1)OC(=O)C[C@@]2([H])[C@@]3(O)CC5C(=O)[C@@]4(C)[C@@H](CC(=O)OC)[C@@](C)(C)[C@@H]5OC(=O)C(C)=CC', '[H][C@:62]34[CH2:21][CH2:35][C@@:37]2([CH3:24])[C@H:79]([c:123]1[cH:111][cH:145]o[cH:143]1)O[C:173](=O)[CH2:29][C@@:52]2([H])[C@@:74]3(O)[CH2:34][CH:47]5[C:220](=O)[C@@:45]4([CH3:19])[C@@H:44]([CH2:33][C:176](=O)O[CH3:53])[C@@:41]([CH3:24])([CH3:23])[C@@H:80]5O[C:168](=O)[C:129]([CH3:15])=[CH:140][CH3:12]', '43 47 H 16.45 -8.87 H 19.52 -10.37 C:3004 17.33 -18.97 C:7001 11.43 -7.20 C:3201 14.95 -17.54 C:29 13.13 -13.85 C:28 12.46 -12.67 C:18 19.52 -6.80 C:19 15.01 -9.27 O 13.84 -8.57 O 23.05 -10.11 O 17.39 -14.77 O 17.55 -10.74 O 18.33 -8.72 C:3003 17.33 -17.54 C:23 21.36 -3.92 C:22 21.85 -5.24 C:21 19.52 -5.24 C:11 17.20 -8.11 C:12 18.33 -7.44 C:6 12.65 -10.62 C:15 20.67 -10.11 C:30 18.33 -11.47 O 11.43 -8.57 O 21.85 -8.11 O 14.95 -14.77 O 19.99 -3.92 C:3002 16.17 -16.87 C:7 12.65 -9.27 C:16 21.85 -9.45 C:3001 16.17 -15.48 C:1 16.30 -11.33 C:20 20.67 -6.05 C:2 16.30 -12.67 C:17 20.67 -7.44 C:5 13.84 -11.33 C:3 15.01 -13.38 C:4 13.84 -12.67 C:9 17.20 -9.45 C:14 19.52 -9.45 C:13 19.52 -8.11 C:10 15.01 -10.62 C:8 18.33 -10.11 39 1 -2 40 2 -2 3 15 1 4 24 1 5 28 1 38 6 -1 38 7 -2 41 8 -2 42 9 -2 10 29 2 11 30 2 12 31 2 13 32 2 43 14 -2 15 28 2 16 17 2 16 27 1 17 33 1 18 27 1 18 33 2 19 20 1 19 39 1 20 41 1 21 29 1 36 21 -2 22 30 1 22 40 1 23 34 1 23 43 1 24 29 1 25 30 1 25 35 1 26 31 1 37 26 -1 28 31 1 32 34 1 32 42 1 35 33 -2 34 37 1 35 41 1 36 38 1 36 42 1 37 38 1 39 42 1 39 43 1 40 41 1 40 43 1', '43 47 H 16.45 -8.87 H 19.52 -10.37 C 17.33 -18.97 C 11.43 -7.20 C 14.95 -17.54 C 13.13 -13.85 C 12.46 -12.67 C 19.52 -6.80 C 15.01 -9.27 O 13.84 -8.57 O 23.05 -10.11 O 17.39 -14.77 O 17.55 -10.74 O 18.33 -8.72 C 17.33 -17.54 C 21.36 -3.92 C 21.85 -5.24 C 19.52 -5.24 C 17.20 -8.11 C 18.33 -7.44 C 12.65 -10.62 C 20.67 -10.11 C 18.33 -11.47 O 11.43 -8.57 O 21.85 -8.11 O 14.95 -14.77 O 19.99 -3.92 C 16.17 -16.87 C 12.65 -9.27 C 21.85 -9.45 C 16.17 -15.48 C 16.30 -11.33 C 20.67 -6.05 C 16.30 -12.67 C 20.67 -7.44 C 13.84 -11.33 C 15.01 -13.38 C 13.84 -12.67 C 17.20 -9.45 C 19.52 -9.45 C 19.52 -8.11 C 15.01 -10.62 C 18.33 -10.11 39 1 -2 40 2 -2 3 15 1 4 24 1 5 28 1 38 6 -1 38 7 -2 41 8 -2 42 9 -2 10 29 2 11 30 2 12 31 2 13 32 2 43 14 -2 15 28 2 16 17 2 16 27 1 17 33 1 18 27 1 18 33 2 19 20 1 19 39 1 20 41 1 21 29 1 36 21 -2 22 30 1 22 40 1 23 34 1 23 43 1 24 29 1 25 30 1 25 35 1 26 31 1 37 26 -1 28 31 1 32 34 1 32 42 1 35 33 -2 34 37 1 35 41 1 36 38 1 36 42 1 37 38 1 39 42 1 39 43 1 40 41 1 40 43 1', '43 47 H 16.45 -8.87 H 19.52 -10.37 C:12 17.33 -18.97 C:53 11.43 -7.20 C:15 14.95 -17.54 C:24 13.13 -13.85 C:23 12.46 -12.67 C:24 19.52 -6.80 C:19 15.01 -9.27 O 13.84 -8.57 O 23.05 -10.11 O 17.39 -14.77 O 17.55 -10.74 O 18.33 -8.72 C:140 17.33 -17.54 C:145 21.36 -3.92 C:111 21.85 -5.24 C:143 19.52 -5.24 C:21 17.20 -8.11 C:35 18.33 -7.44 C:33 12.65 -10.62 C:29 20.67 -10.11 C:34 18.33 -11.47 O 11.43 -8.57 O 21.85 -8.11 O 14.95 -14.77 O 19.99 -3.92 C:129 16.17 -16.87 C:176 12.65 -9.27 C:173 21.85 -9.45 C:168 16.17 -15.48 C:220 16.30 -11.33 C:123 20.67 -6.05 C:47 16.30 -12.67 C:79 20.67 -7.44 C:44 13.84 -11.33 C:80 15.01 -13.38 C:41 13.84 -12.67 C:62 17.20 -9.45 C:52 19.52 -9.45 C:37 19.52 -8.11 C:45 15.01 -10.62 C:74 18.33 -10.11 39 1 -2 40 2 -2 3 15 1 4 24 1 5 28 1 38 6 -1 38 7 -2 41 8 -2 42 9 -2 10 29 2 11 30 2 12 31 2 13 32 2 43 14 -2 15 28 2 16 17 2 16 27 1 17 33 1 18 27 1 18 33 2 19 20 1 19 39 1 20 41 1 21 29 1 36 21 -2 22 30 1 22 40 1 23 34 1 23 43 1 24 29 1 25 30 1 25 35 1 26 31 1 37 26 -1 28 31 1 32 34 1 32 42 1 35 33 -2 34 37 1 35 41 1 36 38 1 36 42 1 37 38 1 39 42 1 39 43 1 40 41 1 40 43 1', 'C32H42O9', 570.353, 'M', 'mrc07_705_2', 3996, '', '', '1', 1, NULL, NULL),
(15906, 'granatoine', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:5]16[CH2:6][C:7](=O)O[C@@:10]1([CH3:19])[c:1]5n[c:9]4[CH2:11][CH2:12][C@:13]2([CH3:18])[C:14](=[CH:15][C:16](=O)O[C@@:17]2([H])[c:20]3[cH:22][cH:23]o[cH:21]3)[c:8]4[cH:30][c:2]5[C@@H:3](O)[C@:4]6([CH3:29])[CH3:28]', '[H][C@]16CC(=O)O[C@@]1(C)c5nc4CC[C@]2(C)C(=CC(=O)O[C@@]2([H])c3ccoc3)c4cc5[C@@H](O)[C@]6(C)C', '[H][C@:46]16[CH2:31][C:175](=O)O[C@@:84]1([CH3:28])[c:157]5n[c:158]4[CH2:28][CH2:30][C@:38]2([CH3:16])[C:157](=[CH:111][C:165](=O)O[C@@:81]2([H])[c:120]3[cH:110][cH:142]o[cH:143]3)[c:124]4[cH:134][c:131]5[C@@H:76](O)[C@:36]6([CH3:24])[CH3:21]', '35 40 H 14.76 -16.49 H 20.93 -9.95 C:29 15.33 -17.38 C:28 16.74 -17.38 C:18 19.73 -8.25 C:19 14.76 -12.68 O 23.36 -11.76 O 11.18 -14.78 O 18.43 -16.03 C:15 20.93 -11.76 C:23 21.63 -5.43 C:22 22.07 -6.74 C:21 19.79 -6.74 C:30 18.43 -13.33 C:11 17.17 -9.64 C:12 18.43 -8.89 C:6 13.42 -15.92 N 15.86 -11.83 O 22.15 -9.64 O 13.42 -13.65 O 20.23 -5.43 C:16 22.15 -11.08 C:7 12.59 -14.78 C:14 19.73 -11.08 C:20 20.93 -7.56 C:9 17.17 -11.08 C:8 18.43 -11.83 C:2 17.17 -14.09 C:1 15.86 -13.33 C:3 17.17 -15.41 C:4 15.99 -16.14 C:5 14.76 -15.48 C:13 19.73 -9.64 C:17 20.93 -8.95 C:10 14.76 -14.09 32 1 -2 34 2 -1 31 3 -1 31 4 -2 33 5 -2 35 6 -2 7 22 2 8 23 2 30 9 -1 10 22 1 10 24 2 11 12 2 11 21 1 12 25 1 13 21 1 13 25 2 14 27 2 14 28 1 15 16 1 15 26 1 16 33 1 17 23 1 17 32 1 18 26 2 18 29 1 19 22 1 19 34 1 20 23 1 20 35 1 24 27 1 24 33 1 25 34 1 26 27 1 28 29 2 28 30 1 29 35 1 30 31 1 31 32 1 32 35 1 33 34 1', '35 40 H 14.76 -16.49 H 20.93 -9.95 C 15.33 -17.38 C 16.74 -17.38 C 19.73 -8.25 C 14.76 -12.68 O 23.36 -11.76 O 11.18 -14.78 O 18.43 -16.03 C 20.93 -11.76 C 21.63 -5.43 C 22.07 -6.74 C 19.79 -6.74 C 18.43 -13.33 C 17.17 -9.64 C 18.43 -8.89 C 13.42 -15.92 N 15.86 -11.83 O 22.15 -9.64 O 13.42 -13.65 O 20.23 -5.43 C 22.15 -11.08 C 12.59 -14.78 C 19.73 -11.08 C 20.93 -7.56 C 17.17 -11.08 C 18.43 -11.83 C 17.17 -14.09 C 15.86 -13.33 C 17.17 -15.41 C 15.99 -16.14 C 14.76 -15.48 C 19.73 -9.64 C 20.93 -8.95 C 14.76 -14.09 32 1 -2 34 2 -1 31 3 -1 31 4 -2 33 5 -2 35 6 -2 7 22 2 8 23 2 30 9 -1 10 22 1 10 24 2 11 12 2 11 21 1 12 25 1 13 21 1 13 25 2 14 27 2 14 28 1 15 16 1 15 26 1 16 33 1 17 23 1 17 32 1 18 26 2 18 29 1 19 22 1 19 34 1 20 23 1 20 35 1 24 27 1 24 33 1 25 34 1 26 27 1 28 29 2 28 30 1 29 35 1 30 31 1 31 32 1 32 35 1 33 34 1', '35 40 H 14.76 -16.49 H 20.93 -9.95 C:24 15.33 -17.38 C:21 16.74 -17.38 C:16 19.73 -8.25 C:28 14.76 -12.68 O 23.36 -11.76 O 11.18 -14.78 O 18.43 -16.03 C:111 20.93 -11.76 C:142 21.63 -5.43 C:110 22.07 -6.74 C:143 19.79 -6.74 C:134 18.43 -13.33 C:28 17.17 -9.64 C:30 18.43 -8.89 C:31 13.42 -15.92 N 15.86 -11.83 O 22.15 -9.64 O 13.42 -13.65 O 20.23 -5.43 C:165 22.15 -11.08 C:175 12.59 -14.78 C:157 19.73 -11.08 C:120 20.93 -7.56 C:158 17.17 -11.08 C:124 18.43 -11.83 C:131 17.17 -14.09 C:157 15.86 -13.33 C:76 17.17 -15.41 C:36 15.99 -16.14 C:46 14.76 -15.48 C:38 19.73 -9.64 C:81 20.93 -8.95 C:84 14.76 -14.09 32 1 -2 34 2 -1 31 3 -1 31 4 -2 33 5 -2 35 6 -2 7 22 2 8 23 2 30 9 -1 10 22 1 10 24 2 11 12 2 11 21 1 12 25 1 13 21 1 13 25 2 14 27 2 14 28 1 15 16 1 15 26 1 16 33 1 17 23 1 17 32 1 18 26 2 18 29 1 19 22 1 19 34 1 20 23 1 20 35 1 24 27 1 24 33 1 25 34 1 26 27 1 28 29 2 28 30 1 29 35 1 30 31 1 31 32 1 32 35 1 33 34 1', 'C26H27NO6', 449.297, 'C', 'mrc08_984_1', 3997, '', '', '1', 1, NULL, NULL),
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'np07_682_5', 3998, '', '', '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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15.04 -11.16 C:7001 10.12 -12.11 C:6002 12.54 -7.92 C:3002 15.04 -17.86 C:30002 23.39 -13.30 C:1002 20.89 -13.66 C:18 20.99 -7.53 C:28 13.82 -14.26 C:19 16.15 -10.08 O 11.34 -10.01 O 13.82 -15.76 O 21.41 -14.71 O 18.80 -14.87 O 24.35 -10.99 O 12.60 -13.57 O 19.79 -9.64 C:23 22.79 -4.99 C:22 23.14 -6.19 C:21 21.10 -6.19 C:11 18.56 -8.94 C:12 19.79 -8.24 C:15 22.20 -10.99 C:29 16.47 -13.57 O 11.34 -11.42 O 13.82 -10.01 O 23.23 -8.94 O 16.27 -15.76 O 21.19 -12.30 O 18.80 -12.44 O 21.51 -4.99 C:6001 12.54 -9.32 C:3001 15.04 -16.46 C:30001 21.99 -13.44 C:1001 19.49 -13.66 C:16 23.23 -10.30 C:7 12.60 -12.11 C:20 22.20 -6.95 C:6 13.82 -11.42 C:17 22.20 -8.30 C:3 16.27 -14.36 C:30 19.79 -12.44 C:14 20.99 -10.30 C:9 18.56 -10.30 C:13 20.99 -8.94 C:4 15.04 -13.57 C:2 18.56 -13.10 C:5 15.04 -12.17 C:10 17.39 -11.06 C:8 19.79 -11.06 C:1 17.39 -12.44 45 1 -2 46 2 -2 49 3 -1 50 4 -1 5 27 1 6 34 1 7 35 1 8 36 1 9 37 1 47 10 -2 48 11 -1 51 12 -2 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 52 19 -2 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C:41 16.47 -13.57 O 11.34 -11.42 O 13.82 -10.01 O 23.23 -8.94 O 16.27 -15.76 O 21.19 -12.30 O 18.80 -12.44 O 21.51 -4.99 C:170 12.54 -9.32 C:170 15.04 -16.46 C:171 21.99 -13.44 C:169 19.49 -13.66 C:170 23.23 -10.30 C:170 12.60 -12.11 C:122 22.20 -6.95 C:72 13.82 -11.42 C:78 22.20 -8.30 C:76 16.27 -14.36 C:70 19.79 -12.44 C:51 20.99 -10.30 C:56 18.56 -10.30 C:36 20.99 -8.94 C:45 15.04 -13.57 C:46 18.56 -13.10 C:42 15.04 -12.17 C:48 17.39 -11.06 C:74 19.79 -11.06 C:88 17.39 -12.44 45 1 -2 46 2 -2 49 3 -1 50 4 -1 5 27 1 6 34 1 7 35 1 8 36 1 9 37 1 47 10 -2 48 11 -1 51 12 -2 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 52 19 -2 20 21 2 20 33 1 21 40 1 22 33 1 22 40 2 23 24 1 23 46 1 24 47 1 25 38 1 25 45 1 26 48 1 26 53 1 27 39 1 28 34 1 41 28 -1 29 38 1 29 42 1 30 35 1 43 30 -1 31 36 1 44 31 -2 32 37 1 53 32 -2 39 41 1 42 40 -2 41 50 1 42 47 1 43 48 1 43 49 1 44 49 1 44 52 1 45 47 1 45 52 1 46 51 1 46 52 1 48 50 1 49 53 1 50 51 1 51 53 1', 'C35H44O14', 688.398, 'C', 'np07_772_1', 3999, '', '', '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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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
(15937, '9a-Hydroxyfraxinellone-9-O-β-D-glucoside', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]4([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:15](=O)[C:14]3=[C:8]([CH3:30])[C@H:9](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:11][CH2:12][C@:13]34[CH3:18]', '[H][C@@]4(c1ccoc1)OC(=O)C3=C(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]34C', '[H][C@@:82]4([c:120]1[cH:109][cH:144]o[cH:140]1)O[C:169](=O)[C:130]3=[C:145]([CH3:15])[C@H:76](O[C@@H:106]2O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:74]2O)[CH2:26][CH2:27][C@:43]34[CH3:19]', '30 33 H 21.06 -12.13 C:30 18.70 -15.24 C:18 20.01 -10.23 O 21.78 -14.85 O 15.09 -8.76 O 11.37 -13.58 O 11.37 -10.82 O 13.77 -15.05 C:23 23.09 -8.01 C:22 23.09 -9.41 C:21 20.97 -8.70 C:106 13.87 -9.46 C:11 17.47 -11.65 C:12 18.70 -10.82 O 22.15 -12.35 O 16.23 -13.72 O 15.03 -11.60 O 21.78 -7.58 C:15 21.34 -13.49 C:8 18.70 -13.81 C:14 20.01 -13.07 C:20 21.78 -9.86 C:9 17.47 -13.07 C:103 12.59 -12.91 C:104 12.59 -11.52 C:102 13.77 -13.64 C:105 13.87 -10.82 C:101 15.03 -12.99 C:13 20.01 -11.65 C:17 21.34 -11.22 30 1 -1 2 20 1 29 3 -2 4 19 2 5 12 1 24 6 -1 25 7 -2 26 8 -2 9 10 2 9 18 1 10 22 1 11 18 1 11 22 2 27 12 -1 13 14 1 13 23 1 14 29 1 15 19 1 15 30 1 23 16 -2 28 16 -1 17 27 1 17 28 1 19 21 1 20 21 2 20 23 1 21 29 1 22 30 1 24 25 1 24 26 1 25 27 1 26 28 1 29 30 1', '30 33 H 21.06 -12.13 C 18.70 -15.24 C 20.01 -10.23 O 21.78 -14.85 O 15.09 -8.76 O 11.37 -13.58 O 11.37 -10.82 O 13.77 -15.05 C 23.09 -8.01 C 23.09 -9.41 C 20.97 -8.70 C 13.87 -9.46 C 17.47 -11.65 C 18.70 -10.82 O 22.15 -12.35 O 16.23 -13.72 O 15.03 -11.60 O 21.78 -7.58 C 21.34 -13.49 C 18.70 -13.81 C 20.01 -13.07 C 21.78 -9.86 C 17.47 -13.07 C 12.59 -12.91 C 12.59 -11.52 C 13.77 -13.64 C 13.87 -10.82 C 15.03 -12.99 C 20.01 -11.65 C 21.34 -11.22 30 1 -1 2 20 1 29 3 -2 4 19 2 5 12 1 24 6 -1 25 7 -2 26 8 -2 9 10 2 9 18 1 10 22 1 11 18 1 11 22 2 27 12 -1 13 14 1 13 23 1 14 29 1 15 19 1 15 30 1 23 16 -2 28 16 -1 17 27 1 17 28 1 19 21 1 20 21 2 20 23 1 21 29 1 22 30 1 24 25 1 24 26 1 25 27 1 26 28 1 29 30 1', '30 33 H 21.06 -12.13 C:15 18.70 -15.24 C:19 20.01 -10.23 O 21.78 -14.85 O 15.09 -8.76 O 11.37 -13.58 O 11.37 -10.82 O 13.77 -15.05 C:144 23.09 -8.01 C:109 23.09 -9.41 C:140 20.97 -8.70 C:61 13.87 -9.46 C:26 17.47 -11.65 C:27 18.70 -10.82 O 22.15 -12.35 O 16.23 -13.72 O 15.03 -11.60 O 21.78 -7.58 C:169 21.34 -13.49 C:145 18.70 -13.81 C:130 20.01 -13.07 C:120 21.78 -9.86 C:76 17.47 -13.07 C:77 12.59 -12.91 C:70 12.59 -11.52 C:74 13.77 -13.64 C:77 13.87 -10.82 C:106 15.03 -12.99 C:43 20.01 -11.65 C:82 21.34 -11.22 30 1 -1 2 20 1 29 3 -2 4 19 2 5 12 1 24 6 -1 25 7 -2 26 8 -2 9 10 2 9 18 1 10 22 1 11 18 1 11 22 2 27 12 -1 13 14 1 13 23 1 14 29 1 15 19 1 15 30 1 23 16 -2 28 16 -1 17 27 1 17 28 1 19 21 1 20 21 2 20 23 1 21 29 1 22 30 1 24 25 1 24 26 1 25 27 1 26 28 1 29 30 1', 'C20H26O9', 410.217, 'A', 'np08_208_1', 4002, 'Chemical shift C-21, C-23 interchanged', '', '1', 1, NULL, NULL),
(15938, 'Dictamnusine', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]4([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[C:15](O)=[C:14]3[C@H:8]([CH3:30])[C@@H:9](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:11][CH2:12][C@@:13]34[CH3:18]', '[H][C@@]4(c1ccoc1)OC(=O)C(O)=C3[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]34C', '[H][C@@:81]4([c:120]1[cH:110][cH:143]o[cH:141]1)O[C:162](=O)[C:136](O)=[C:135]3[C@H:32]([CH3:18])[C@@H:77](O[C@@H:102]2O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:73]2O)[CH2:27][CH2:21][C@@:36]34[CH3:20]', '32 35 H 20.95 -11.99 C:30 18.46 -15.36 C:18 19.77 -10.30 O 23.39 -13.77 O 14.85 -8.83 O 20.95 -15.19 O 11.16 -13.65 O 11.16 -10.88 O 13.52 -15.10 C:23 21.65 -7.46 C:22 22.09 -8.83 C:21 19.83 -8.83 C:106 13.64 -9.53 C:11 17.19 -11.65 C:12 18.46 -10.88 O 22.16 -11.65 O 14.78 -11.65 O 15.97 -13.77 O 20.25 -7.46 C:16 22.16 -13.11 C:15 20.95 -13.77 C:14 19.77 -13.11 C:20 20.95 -9.63 C:8 18.46 -13.87 C:103 12.38 -12.97 C:104 12.38 -11.58 C:102 13.52 -13.65 C:105 13.64 -10.88 C:9 17.19 -13.11 C:101 14.78 -13.04 C:13 19.77 -11.65 C:17 20.95 -11.00 32 1 -1 24 2 -2 31 3 -1 4 20 2 5 13 1 6 21 1 25 7 -1 26 8 -2 27 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 28 13 -1 14 15 1 14 29 1 15 31 1 16 20 1 16 32 1 17 28 1 17 30 1 29 18 -1 30 18 -1 20 21 1 21 22 2 22 24 1 22 31 1 23 32 1 24 29 1 25 26 1 25 27 1 26 28 1 27 30 1 31 32 1', '32 35 H 20.95 -11.99 C 18.46 -15.36 C 19.77 -10.30 O 23.39 -13.77 O 14.85 -8.83 O 20.95 -15.19 O 11.16 -13.65 O 11.16 -10.88 O 13.52 -15.10 C 21.65 -7.46 C 22.09 -8.83 C 19.83 -8.83 C 13.64 -9.53 C 17.19 -11.65 C 18.46 -10.88 O 22.16 -11.65 O 14.78 -11.65 O 15.97 -13.77 O 20.25 -7.46 C 22.16 -13.11 C 20.95 -13.77 C 19.77 -13.11 C 20.95 -9.63 C 18.46 -13.87 C 12.38 -12.97 C 12.38 -11.58 C 13.52 -13.65 C 13.64 -10.88 C 17.19 -13.11 C 14.78 -13.04 C 19.77 -11.65 C 20.95 -11.00 32 1 -1 24 2 -2 31 3 -1 4 20 2 5 13 1 6 21 1 25 7 -1 26 8 -2 27 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 28 13 -1 14 15 1 14 29 1 15 31 1 16 20 1 16 32 1 17 28 1 17 30 1 29 18 -1 30 18 -1 20 21 1 21 22 2 22 24 1 22 31 1 23 32 1 24 29 1 25 26 1 25 27 1 26 28 1 27 30 1 31 32 1', '32 35 H 20.95 -11.99 C:18 18.46 -15.36 C:20 19.77 -10.30 O 23.39 -13.77 O 14.85 -8.83 O 20.95 -15.19 O 11.16 -13.65 O 11.16 -10.88 O 13.52 -15.10 C:143 21.65 -7.46 C:110 22.09 -8.83 C:141 19.83 -8.83 C:61 13.64 -9.53 C:27 17.19 -11.65 C:21 18.46 -10.88 O 22.16 -11.65 O 14.78 -11.65 O 15.97 -13.77 O 20.25 -7.46 C:162 22.16 -13.11 C:136 20.95 -13.77 C:135 19.77 -13.11 C:120 20.95 -9.63 C:32 18.46 -13.87 C:77 12.38 -12.97 C:70 12.38 -11.58 C:73 13.52 -13.65 C:77 13.64 -10.88 C:77 17.19 -13.11 C:102 14.78 -13.04 C:36 19.77 -11.65 C:81 20.95 -11.00 32 1 -1 24 2 -2 31 3 -1 4 20 2 5 13 1 6 21 1 25 7 -1 26 8 -2 27 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 28 13 -1 14 15 1 14 29 1 15 31 1 16 20 1 16 32 1 17 28 1 17 30 1 29 18 -1 30 18 -1 20 21 1 21 22 2 22 24 1 22 31 1 23 32 1 24 29 1 25 26 1 25 27 1 26 28 1 27 30 1 31 32 1', 'C21H28O10', 440.227, 'A', 'np08_208_2', 4002, '', '', '1', 1, NULL, NULL),
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(15950, '17-Epi-Methyl-6-hydroxyangolensate', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:9]45[CH2:11][CH2:12][C@@:13]2([CH3:18])[C@@:17]([H])([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[CH2:15][C@@:14]2(O[C@H:1]3[CH2:2][C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]([H])([C@@H:6](O)[C:7](=O)O[CH3:7001])[C@@:10]34[CH3:19])[C:8]5=[CH2:30]', '[H][C@@]45CC[C@@]2(C)[C@@]([H])(c1ccoc1)OC(=O)C[C@@]2(O[C@H]3CC(=O)[C@@](C)(C)[C@]([H])([C@@H](O)C(=O)OC)[C@@]34C)C5=C', '[H][C@@:51]45[CH2:24][CH2:29][C@@:41]2([CH3:14])[C@@:79]([H])([c:121]1[cH:110][cH:143]o[cH:141]1)O[C:170](=O)[CH2:34][C@@:80]2(O[C@H:78]3[CH2:39][C:212](=O)[C@@:49]([CH3:25])([CH3:23])[C@:48]([H])([C@@H:72](O)[C:177](=O)O[CH3:53])[C@@:45]34[CH3:24])[C:146]5=[CH2:112]', '38 42 H 16.71 -13.83 H 20.33 -11.71 H 14.27 -13.94 C:30 17.92 -14.92 C:7001 11.94 -8.87 C:29 11.82 -13.94 C:28 12.74 -12.31 C:18 19.18 -10.05 C:19 15.44 -12.11 O 22.69 -13.46 O 11.94 -15.59 O 11.94 -11.56 O 15.50 -10.89 C:23 21.02 -7.31 C:22 21.44 -8.61 C:21 19.24 -8.61 C:11 16.71 -11.38 C:12 17.92 -10.67 C:2 14.27 -15.59 C:15 20.33 -13.46 O 13.11 -9.55 O 21.52 -11.38 O 19.18 -14.14 O 19.66 -7.31 C:16 21.52 -12.79 C:3 13.11 -14.92 C:7 13.11 -10.89 C:8 17.92 -13.53 C:20 20.33 -9.42 C:6 14.27 -11.56 C:1 15.44 -14.92 C:4 13.11 -13.58 C:9 16.71 -12.79 C:17 20.33 -10.74 C:5 14.27 -12.90 C:13 19.18 -11.38 C:10 15.44 -13.53 C:14 19.18 -12.79 33 1 -2 34 2 -2 35 3 -1 4 28 2 5 21 1 32 6 -2 32 7 -1 36 8 -2 37 9 -1 10 25 2 11 26 2 12 27 2 30 13 -2 14 15 2 14 24 1 15 29 1 16 24 1 16 29 2 17 18 1 17 33 1 18 36 1 19 26 1 19 31 1 20 25 1 20 38 1 21 27 1 22 25 1 22 34 1 31 23 -1 38 23 -2 26 32 1 27 30 1 28 33 1 28 38 1 29 34 1 30 35 1 31 37 1 32 35 1 33 37 1 34 36 1 35 37 1 36 38 1', '38 42 H 16.71 -13.83 H 20.33 -11.71 H 14.27 -13.94 C 17.92 -14.92 C 11.94 -8.87 C 11.82 -13.94 C 12.74 -12.31 C 19.18 -10.05 C 15.44 -12.11 O 22.69 -13.46 O 11.94 -15.59 O 11.94 -11.56 O 15.50 -10.89 C 21.02 -7.31 C 21.44 -8.61 C 19.24 -8.61 C 16.71 -11.38 C 17.92 -10.67 C 14.27 -15.59 C 20.33 -13.46 O 13.11 -9.55 O 21.52 -11.38 O 19.18 -14.14 O 19.66 -7.31 C 21.52 -12.79 C 13.11 -14.92 C 13.11 -10.89 C 17.92 -13.53 C 20.33 -9.42 C 14.27 -11.56 C 15.44 -14.92 C 13.11 -13.58 C 16.71 -12.79 C 20.33 -10.74 C 14.27 -12.90 C 19.18 -11.38 C 15.44 -13.53 C 19.18 -12.79 33 1 -2 34 2 -2 35 3 -1 4 28 2 5 21 1 32 6 -2 32 7 -1 36 8 -2 37 9 -1 10 25 2 11 26 2 12 27 2 30 13 -2 14 15 2 14 24 1 15 29 1 16 24 1 16 29 2 17 18 1 17 33 1 18 36 1 19 26 1 19 31 1 20 25 1 20 38 1 21 27 1 22 25 1 22 34 1 31 23 -1 38 23 -2 26 32 1 27 30 1 28 33 1 28 38 1 29 34 1 30 35 1 31 37 1 32 35 1 33 37 1 34 36 1 35 37 1 36 38 1', '38 42 H 16.71 -13.83 H 20.33 -11.71 H 14.27 -13.94 C:112 17.92 -14.92 C:53 11.94 -8.87 C:25 11.82 -13.94 C:23 12.74 -12.31 C:14 19.18 -10.05 C:24 15.44 -12.11 O 22.69 -13.46 O 11.94 -15.59 O 11.94 -11.56 O 15.50 -10.89 C:143 21.02 -7.31 C:110 21.44 -8.61 C:141 19.24 -8.61 C:24 16.71 -11.38 C:29 17.92 -10.67 C:39 14.27 -15.59 C:34 20.33 -13.46 O 13.11 -9.55 O 21.52 -11.38 O 19.18 -14.14 O 19.66 -7.31 C:170 21.52 -12.79 C:212 13.11 -14.92 C:177 13.11 -10.89 C:146 17.92 -13.53 C:121 20.33 -9.42 C:72 14.27 -11.56 C:78 15.44 -14.92 C:49 13.11 -13.58 C:51 16.71 -12.79 C:79 20.33 -10.74 C:48 14.27 -12.90 C:41 19.18 -11.38 C:45 15.44 -13.53 C:80 19.18 -12.79 33 1 -2 34 2 -2 35 3 -1 4 28 2 5 21 1 32 6 -2 32 7 -1 36 8 -2 37 9 -1 10 25 2 11 26 2 12 27 2 30 13 -2 14 15 2 14 24 1 15 29 1 16 24 1 16 29 2 17 18 1 17 33 1 18 36 1 19 26 1 19 31 1 20 25 1 20 38 1 21 27 1 22 25 1 22 34 1 31 23 -1 38 23 -2 26 32 1 27 30 1 28 33 1 28 38 1 29 34 1 30 35 1 31 37 1 32 35 1 33 37 1 34 36 1 35 37 1 36 38 1', 'C27H34O8', 486.308, 'C', 'np08_910_2', 4005, '', '', '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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'[H][C@@:45]35[CH2:34][C:110]7([CH3:19])O[C@:71]6([H])[C@@:82]1(O[C:170]([CH3:21])=O)[C@@H:83](O[C:170]([CH3:21])=O)[C@@:45]2([CH3:16])[CH2:40][C@@:84]1(O)[C@@:53]([CH3:18])([C@H:41]2[CH2:34][C:173](=O)O[CH3:52])[C@@:76](O)([C@H:72](O[C:170]([CH3:21])=O)[C@H:73](O[C:169]([CH3:20])=O)[C@@:42]3([CH3:19])[C@H:71](O[C:169]([CH3:21])=O)[c:122]4[cH:110][cH:143]o[cH:141]4)[C@@:90]56O7', '57 63 H 21.06 -9.94 H 19.01 -13.54 C:7001 9.58 -12.21 C:17002 24.88 -8.95 C:21002 17.80 -5.00 C:11002 15.37 -6.41 C:3002 14.39 -17.90 C:2002 19.01 -16.69 C:15002 22.59 -13.24 C:28 13.17 -14.31 C:18 20.25 -7.72 C:19 15.48 -10.22 O 23.60 -6.92 O 16.60 -7.11 O 14.18 -8.54 O 13.17 -15.79 O 20.25 -14.62 O 12.00 -13.62 O 17.92 -11.82 O 16.60 -9.71 C:23 22.02 -5.19 C:22 22.38 -6.35 C:21 20.35 -6.35 C:6 13.17 -11.53 C:15 21.39 -11.11 C:29 15.77 -13.62 O 10.79 -11.53 O 22.47 -9.11 O 19.01 -7.05 O 16.60 -8.46 O 15.58 -15.79 O 17.80 -14.56 O 20.25 -13.24 O 20.04 -12.21 O 20.76 -5.19 C:17001 23.60 -8.33 C:21001 17.80 -6.41 C:11001 15.37 -7.81 C:3001 14.39 -16.50 C:2001 19.01 -15.30 C:7 12.00 -12.21 C:20 21.39 -7.11 C:5 14.39 -12.27 C:17 21.39 -8.46 C:12 19.01 -8.46 C:11 17.80 -9.11 C:3 15.58 -14.40 C:15001 21.39 -12.53 C:14 20.25 -10.45 C:4 14.39 -13.62 C:30 19.01 -12.53 C:13 20.25 -9.11 C:1 16.71 -12.53 C:10 16.71 -11.18 C:9 17.80 -10.45 C:2 17.80 -13.16 C:8 19.01 -11.18 49 1 -2 51 2 -1 3 27 1 4 36 1 5 37 1 6 38 1 7 39 1 8 40 1 9 48 1 50 10 -1 52 11 -2 54 12 -2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 53 19 -2 55 20 -2 21 22 2 21 35 1 22 42 1 23 35 1 23 42 2 24 41 1 43 24 -2 25 48 1 25 49 1 26 50 1 26 53 1 27 41 1 28 36 1 44 28 -1 29 37 1 45 29 -2 30 38 1 46 30 -2 31 39 1 47 31 -1 32 40 1 56 32 -2 33 48 1 33 51 1 34 48 1 57 34 -2 42 44 1 43 50 1 43 54 1 44 52 1 45 46 1 45 52 1 46 55 1 47 50 1 47 56 1 49 52 1 49 57 1 51 56 1 51 57 1 53 54 1 53 56 1 54 55 1 55 57 1', '57 63 H 21.06 -9.94 H 19.01 -13.54 C 9.58 -12.21 C 24.88 -8.95 C 17.80 -5.00 C 15.37 -6.41 C 14.39 -17.90 C 19.01 -16.69 C 22.59 -13.24 C 13.17 -14.31 C 20.25 -7.72 C 15.48 -10.22 O 23.60 -6.92 O 16.60 -7.11 O 14.18 -8.54 O 13.17 -15.79 O 20.25 -14.62 O 12.00 -13.62 O 17.92 -11.82 O 16.60 -9.71 C 22.02 -5.19 C 22.38 -6.35 C 20.35 -6.35 C 13.17 -11.53 C 21.39 -11.11 C 15.77 -13.62 O 10.79 -11.53 O 22.47 -9.11 O 19.01 -7.05 O 16.60 -8.46 O 15.58 -15.79 O 17.80 -14.56 O 20.25 -13.24 O 20.04 -12.21 O 20.76 -5.19 C 23.60 -8.33 C 17.80 -6.41 C 15.37 -7.81 C 14.39 -16.50 C 19.01 -15.30 C 12.00 -12.21 C 21.39 -7.11 C 14.39 -12.27 C 21.39 -8.46 C 19.01 -8.46 C 17.80 -9.11 C 15.58 -14.40 C 21.39 -12.53 C 20.25 -10.45 C 14.39 -13.62 C 19.01 -12.53 C 20.25 -9.11 C 16.71 -12.53 C 16.71 -11.18 C 17.80 -10.45 C 17.80 -13.16 C 19.01 -11.18 49 1 -2 51 2 -1 3 27 1 4 36 1 5 37 1 6 38 1 7 39 1 8 40 1 9 48 1 50 10 -1 52 11 -2 54 12 -2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 53 19 -2 55 20 -2 21 22 2 21 35 1 22 42 1 23 35 1 23 42 2 24 41 1 43 24 -2 25 48 1 25 49 1 26 50 1 26 53 1 27 41 1 28 36 1 44 28 -1 29 37 1 45 29 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-14.40 C:110 21.39 -12.53 C:45 20.25 -10.45 C:45 14.39 -13.62 C:71 19.01 -12.53 C:42 20.25 -9.11 C:84 16.71 -12.53 C:53 16.71 -11.18 C:76 17.80 -10.45 C:82 17.80 -13.16 C:90 19.01 -11.18 49 1 -2 51 2 -1 3 27 1 4 36 1 5 37 1 6 38 1 7 39 1 8 40 1 9 48 1 50 10 -1 52 11 -2 54 12 -2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 53 19 -2 55 20 -2 21 22 2 21 35 1 22 42 1 23 35 1 23 42 2 24 41 1 43 24 -2 25 48 1 25 49 1 26 50 1 26 53 1 27 41 1 28 36 1 44 28 -1 29 37 1 45 29 -2 30 38 1 46 30 -2 31 39 1 47 31 -1 32 40 1 56 32 -2 33 48 1 33 51 1 34 48 1 57 34 -2 42 44 1 43 50 1 43 54 1 44 52 1 45 46 1 45 52 1 46 55 1 47 50 1 47 56 1 49 52 1 49 57 1 51 56 1 51 57 1 53 54 1 53 56 1 54 55 1 55 57 1', 'C38H48O17', 776.412, 'C', 'ol07_3383_1', 4006, '', '', '1', 1, NULL, NULL),
(15952, 'Chuktabularin B', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:5]12[CH2:6][C:7](=O)O[CH2:19][C@:10]15[C@:1]3(O)[CH2:29][C@:4]2([CH3:28])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:2]3(O[C:2001]([CH3:2002])=O)[C@@:30]7([H])O[C:15001]8([CH3:15002])[CH2:15][C@:14]6([H])[C@:13]([CH3:18])([C@H:17](O[C:17001]([CH3:17002])=O)[c:20]4[cH:22][cH:23]o[cH:21]4)[C@@H:12](O[C:21001]([CH3:21002])=O)[C@@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]5(O)[C@@:8]67O8', '[H][C@@]12CC(=O)OC[C@]15[C@]3(O)C[C@]2(C)[C@H](OC(C)=O)[C@]3(OC(C)=O)[C@@]7([H])OC8(C)C[C@]6([H])[C@](C)([C@H](OC(C)=O)c4ccoc4)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]5(O)[C@@]67O8', 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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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(15971, 'Methyl 8a-hydroxy-8,30-dihydroangolensate', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:9]45[CH2:11][CH2:12][C@@:13]2([CH3:18])[C@:17]([H])([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[CH2:15][C@:14]2(O[C@H:1]3[CH2:2][C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C@H:5]([CH2:6][C:7](=O)O[CH3:7001])[C@:10]34[CH3:19])[C@:8]5([CH3:30])O', '[H][C@@]45CC[C@@]2(C)[C@]([H])(c1ccoc1)OC(=O)C[C@]2(O[C@H]3CC(=O)[C@@](C)(C)[C@H](CC(=O)OC)[C@]34C)[C@]5(C)O', '[H][C@@:48]45[CH2:18][CH2:29][C@@:41]2([CH3:15])[C@:81]([H])([c:121]1[cH:110][cH:143]o[cH:141]1)O[C:171](=O)[CH2:35][C@:78]2(O[C@H:77]3[CH2:42][C:214](=O)[C@@:48]([CH3:21])([CH3:30])[C@H:46]([CH2:33][C:174](=O)O[CH3:52])[C@:43]34[CH3:25])[C@:73]5([CH3:30])O', '37 41 H 16.80 -13.60 H 20.28 -11.58 C:7001 12.19 -8.82 C:29 11.99 -13.34 C:28 12.67 -12.22 C:30 18.56 -14.54 C:18 19.18 -9.97 C:19 15.53 -11.95 O 12.19 -11.42 O 22.52 -13.24 O 12.19 -15.29 O 17.23 -14.48 C:23 20.94 -7.33 C:22 21.34 -8.57 C:21 19.23 -8.57 C:11 16.80 -11.26 C:12 17.95 -10.55 C:6 14.40 -11.42 C:2 14.40 -15.29 C:15 20.28 -13.24 O 13.31 -9.45 O 21.41 -11.26 O 19.18 -15.55 O 19.63 -7.33 C:7 13.31 -10.76 C:16 21.41 -12.62 C:3 13.31 -14.64 C:20 20.28 -9.34 C:1 15.53 -14.64 C:5 14.40 -12.71 C:4 13.31 -13.34 C:8 17.95 -13.34 C:9 16.80 -12.62 C:17 20.28 -10.61 C:13 19.18 -11.26 C:10 15.53 -13.34 C:14 19.18 -12.62 33 1 -2 34 2 -1 3 21 1 31 4 -2 31 5 -1 32 6 -1 35 7 -2 36 8 -2 9 25 2 10 26 2 11 27 2 32 12 -2 13 14 2 13 24 1 14 28 1 15 24 1 15 28 2 16 17 1 16 33 1 17 35 1 18 25 1 30 18 -2 19 27 1 19 29 1 20 26 1 20 37 1 21 25 1 22 26 1 22 34 1 29 23 -1 37 23 -1 27 31 1 28 34 1 29 36 1 30 31 1 30 36 1 32 33 1 32 37 1 33 36 1 34 35 1 35 37 1', '37 41 H 16.80 -13.60 H 20.28 -11.58 C 12.19 -8.82 C 11.99 -13.34 C 12.67 -12.22 C 18.56 -14.54 C 19.18 -9.97 C 15.53 -11.95 O 12.19 -11.42 O 22.52 -13.24 O 12.19 -15.29 O 17.23 -14.48 C 20.94 -7.33 C 21.34 -8.57 C 19.23 -8.57 C 16.80 -11.26 C 17.95 -10.55 C 14.40 -11.42 C 14.40 -15.29 C 20.28 -13.24 O 13.31 -9.45 O 21.41 -11.26 O 19.18 -15.55 O 19.63 -7.33 C 13.31 -10.76 C 21.41 -12.62 C 13.31 -14.64 C 20.28 -9.34 C 15.53 -14.64 C 14.40 -12.71 C 13.31 -13.34 C 17.95 -13.34 C 16.80 -12.62 C 20.28 -10.61 C 19.18 -11.26 C 15.53 -13.34 C 19.18 -12.62 33 1 -2 34 2 -1 3 21 1 31 4 -2 31 5 -1 32 6 -1 35 7 -2 36 8 -2 9 25 2 10 26 2 11 27 2 32 12 -2 13 14 2 13 24 1 14 28 1 15 24 1 15 28 2 16 17 1 16 33 1 17 35 1 18 25 1 30 18 -2 19 27 1 19 29 1 20 26 1 20 37 1 21 25 1 22 26 1 22 34 1 29 23 -1 37 23 -1 27 31 1 28 34 1 29 36 1 30 31 1 30 36 1 32 33 1 32 37 1 33 36 1 34 35 1 35 37 1', '37 41 H 16.80 -13.60 H 20.28 -11.58 C:52 12.19 -8.82 C:21 11.99 -13.34 C:30 12.67 -12.22 C:30 18.56 -14.54 C:15 19.18 -9.97 C:25 15.53 -11.95 O 12.19 -11.42 O 22.52 -13.24 O 12.19 -15.29 O 17.23 -14.48 C:143 20.94 -7.33 C:110 21.34 -8.57 C:141 19.23 -8.57 C:18 16.80 -11.26 C:29 17.95 -10.55 C:33 14.40 -11.42 C:42 14.40 -15.29 C:35 20.28 -13.24 O 13.31 -9.45 O 21.41 -11.26 O 19.18 -15.55 O 19.63 -7.33 C:174 13.31 -10.76 C:171 21.41 -12.62 C:214 13.31 -14.64 C:121 20.28 -9.34 C:77 15.53 -14.64 C:46 14.40 -12.71 C:48 13.31 -13.34 C:73 17.95 -13.34 C:48 16.80 -12.62 C:81 20.28 -10.61 C:41 19.18 -11.26 C:43 15.53 -13.34 C:78 19.18 -12.62 33 1 -2 34 2 -1 3 21 1 31 4 -2 31 5 -1 32 6 -1 35 7 -2 36 8 -2 9 25 2 10 26 2 11 27 2 32 12 -2 13 14 2 13 24 1 14 28 1 15 24 1 15 28 2 16 17 1 16 33 1 17 35 1 18 25 1 30 18 -2 19 27 1 19 29 1 20 26 1 20 37 1 21 25 1 22 26 1 22 34 1 29 23 -1 37 23 -1 27 31 1 28 34 1 29 36 1 30 31 1 30 36 1 32 33 1 32 37 1 33 36 1 34 35 1 35 37 1', 'C27H36O8', 488.3, 'C', 'ph08_1319_6', 4010, '', '', '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
(15972, 'Trichiconnarin A', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]3([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[CH:15]=[C:14]2[C:8](=O)[CH2:11][CH2:12][C@:13]23[CH3:18]', '[H][C@@]3(c1ccoc1)OC(=O)C=C2C(=O)CC[C@]23C', '[H][C@@:83]3([c:120]1[cH:108][cH:144]o[cH:140]1)O[C:164](=O)[CH:116]=[C:159]2[C:204](=O)[CH2:36][CH2:31][C@:43]23[CH3:18]', '18 20 H 17.73 -12.31 C:18 16.52 -10.47 O 20.16 -14.11 O 14.74 -15.19 C:15 17.73 -14.11 C:23 18.42 -7.67 C:22 18.87 -9.01 C:21 16.52 -9.01 C:11 14.38 -12.65 C:12 15.21 -11.55 O 18.95 -11.95 O 17.00 -7.67 C:16 18.95 -13.39 C:8 15.21 -13.79 C:14 16.52 -13.39 C:20 17.73 -9.85 C:13 16.52 -11.95 C:17 17.73 -11.24 18 1 -1 17 2 -2 3 13 2 4 14 2 5 13 1 5 15 2 6 7 2 6 12 1 7 16 1 8 12 1 8 16 2 9 10 1 9 14 1 10 17 1 11 13 1 11 18 1 14 15 1 15 17 1 16 18 1 17 18 1', '18 20 H 17.73 -12.31 C 16.52 -10.47 O 20.16 -14.11 O 14.74 -15.19 C 17.73 -14.11 C 18.42 -7.67 C 18.87 -9.01 C 16.52 -9.01 C 14.38 -12.65 C 15.21 -11.55 O 18.95 -11.95 O 17.00 -7.67 C 18.95 -13.39 C 15.21 -13.79 C 16.52 -13.39 C 17.73 -9.85 C 16.52 -11.95 C 17.73 -11.24 18 1 -1 17 2 -2 3 13 2 4 14 2 5 13 1 5 15 2 6 7 2 6 12 1 7 16 1 8 12 1 8 16 2 9 10 1 9 14 1 10 17 1 11 13 1 11 18 1 14 15 1 15 17 1 16 18 1 17 18 1', '18 20 H 17.73 -12.31 C:18 16.52 -10.47 O 20.16 -14.11 O 14.74 -15.19 C:116 17.73 -14.11 C:144 18.42 -7.67 C:108 18.87 -9.01 C:140 16.52 -9.01 C:36 14.38 -12.65 C:31 15.21 -11.55 O 18.95 -11.95 O 17.00 -7.67 C:164 18.95 -13.39 C:204 15.21 -13.79 C:159 16.52 -13.39 C:120 17.73 -9.85 C:43 16.52 -11.95 C:83 17.73 -11.24 18 1 -1 17 2 -2 3 13 2 4 14 2 5 13 1 5 15 2 6 7 2 6 12 1 7 16 1 8 12 1 8 16 2 9 10 1 9 14 1 10 17 1 11 13 1 11 18 1 14 15 1 15 17 1 16 18 1 17 18 1', 'C13H12O4', 232.145, 'C', 'ph08_1319_7', 4010, '', '', '1', 1, NULL, NULL),
(15973, 'Trichiconnarin B', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]3([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[CH:15]=[C:14]2[C:8](=O)[C:11](=[C:101]([CH3:102])[CH3:103])[CH2:12][C@:13]23[CH3:18]', '[H][C@@]3(c1ccoc1)OC(=O)C=C2C(=O)C(=C(C)C)C[C@]23C', '[H][C@@:82]3([c:120]1[cH:109][cH:144]o[cH:141]1)O[C:164](=O)[CH:115]=[C:163]2[C:192](=O)[C:130](=[C:156]([CH3:22])[CH3:25])[CH2:38][C@:40]23[CH3:20]', '21 23 H 18.79 -12.31 C:102 13.31 -11.48 C:103 13.37 -13.91 C:18 17.58 -10.47 O 21.22 -14.10 O 15.80 -15.18 C:15 18.79 -14.10 C:23 19.48 -7.67 C:22 19.93 -9.01 C:21 17.58 -9.01 C:12 16.27 -11.55 O 20.01 -11.95 O 18.06 -7.67 C:101 14.04 -12.68 C:16 20.01 -13.38 C:8 16.27 -13.78 C:14 17.58 -13.38 C:11 15.44 -12.68 C:20 18.79 -9.85 C:13 17.58 -11.95 C:17 18.79 -11.24 21 1 -1 2 14 1 3 14 1 20 4 -2 5 15 2 6 16 2 7 15 1 7 17 2 8 9 2 8 13 1 9 19 1 10 13 1 10 19 2 11 18 1 11 20 1 12 15 1 12 21 1 14 18 2 16 17 1 16 18 1 17 20 1 19 21 1 20 21 1', '21 23 H 18.79 -12.31 C 13.31 -11.48 C 13.37 -13.91 C 17.58 -10.47 O 21.22 -14.10 O 15.80 -15.18 C 18.79 -14.10 C 19.48 -7.67 C 19.93 -9.01 C 17.58 -9.01 C 16.27 -11.55 O 20.01 -11.95 O 18.06 -7.67 C 14.04 -12.68 C 20.01 -13.38 C 16.27 -13.78 C 17.58 -13.38 C 15.44 -12.68 C 18.79 -9.85 C 17.58 -11.95 C 18.79 -11.24 21 1 -1 2 14 1 3 14 1 20 4 -2 5 15 2 6 16 2 7 15 1 7 17 2 8 9 2 8 13 1 9 19 1 10 13 1 10 19 2 11 18 1 11 20 1 12 15 1 12 21 1 14 18 2 16 17 1 16 18 1 17 20 1 19 21 1 20 21 1', '21 23 H 18.79 -12.31 C:22 13.31 -11.48 C:25 13.37 -13.91 C:20 17.58 -10.47 O 21.22 -14.10 O 15.80 -15.18 C:115 18.79 -14.10 C:144 19.48 -7.67 C:109 19.93 -9.01 C:141 17.58 -9.01 C:38 16.27 -11.55 O 20.01 -11.95 O 18.06 -7.67 C:156 14.04 -12.68 C:164 20.01 -13.38 C:192 16.27 -13.78 C:163 17.58 -13.38 C:130 15.44 -12.68 C:120 18.79 -9.85 C:40 17.58 -11.95 C:82 18.79 -11.24 21 1 -1 2 14 1 3 14 1 20 4 -2 5 15 2 6 16 2 7 15 1 7 17 2 8 9 2 8 13 1 9 19 1 10 13 1 10 19 2 11 18 1 11 20 1 12 15 1 12 21 1 14 18 2 16 17 1 16 18 1 17 20 1 19 21 1 20 21 1', 'C16H16O4', 272.177, 'C', 'ph08_1319_8', 4010, '', '', '1', 1, NULL, NULL),
(15974, 'Methyl uguenenoate', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:9]45[CH2:11][CH2:12][C@@:13]3([CH3:18])[C@:17]([H])([c:20]1[cH:22][cH:23]o[cH:21]1)O[C:16](=O)[C@H:15]2O[C@:14]23[C@:8]4([CH3:30])[C:7](=O)[CH2:6][C@@:5]6([H])[C@:4]([CH3:29])([CH3:28])O[C@@H:3]([CH2:2][C:1](=O)O[CH3:1001])[C@:10]56[CH2:19]O', '[H][C@]45CC[C@@]3(C)[C@]([H])(c1ccoc1)OC(=O)[C@H]2O[C@]23[C@]4(C)C(=O)C[C@@]6([H])[C@](C)(C)O[C@@H](CC(=O)OC)[C@]56CO', '[H][C@:36]45[CH2:19][CH2:28][C@@:39]3([CH3:20])[C@:78]([H])([c:120]1[cH:110][cH:143]o[cH:141]1)O[C:168](=O)[C@H:55]2O[C@:70]23[C@:48]4([CH3:17])[C:212](=O)[CH2:40][C@@:9999]6([H])[C@:84]([CH3:29])([CH3:24])O[C@@H:75]([CH2:37][C:174](=O)O[CH3:52])[C@:9999]56[CH2:69]O', '39 44 H 17.60 -13.31 H 16.29 -15.47 H 21.39 -11.13 C:1001 10.67 -12.63 C:29 13.72 -15.96 C:28 15.42 -16.33 C:18 20.20 -9.41 C:30 18.90 -11.54 O 12.24 -10.18 O 20.10 -15.23 O 23.82 -12.94 O 16.01 -10.58 C:23 22.08 -6.53 C:22 22.52 -7.86 C:21 20.27 -7.86 C:19 16.85 -11.72 C:11 17.60 -10.82 C:12 18.90 -10.07 C:2 14.26 -11.54 C:6 17.60 -15.22 O 12.08 -12.63 O 22.61 -10.82 O 14.16 -13.96 O 20.20 -13.66 O 20.69 -6.53 C:1 12.86 -11.44 C:7 18.90 -14.51 C:16 22.61 -12.27 C:20 21.39 -8.70 C:3 14.88 -12.80 C:15 21.39 -12.94 C:4 14.95 -14.95 C:9 17.60 -12.27 C:5 16.29 -14.51 C:17 21.39 -10.13 C:13 20.20 -10.82 C:8 18.90 -13.00 C:10 16.29 -13.00 C:14 20.21 -12.27 33 1 -2 34 2 -2 35 3 -1 4 21 1 32 5 -1 32 6 -2 36 7 -2 37 8 -1 9 26 2 10 27 2 11 28 2 12 16 1 13 14 2 13 25 1 14 29 1 15 25 1 15 29 2 38 16 -1 17 18 1 17 33 1 18 36 1 19 26 1 30 19 -1 20 27 1 20 34 1 21 26 1 22 28 1 22 35 1 23 30 1 23 32 1 31 24 -1 39 24 -1 27 37 1 28 31 1 29 35 1 30 38 1 31 39 1 32 34 1 33 37 1 33 38 1 34 38 1 35 36 1 36 39 1 37 39 1', '39 44 H 17.60 -13.31 H 16.29 -15.47 H 21.39 -11.13 C 10.67 -12.63 C 13.72 -15.96 C 15.42 -16.33 C 20.20 -9.41 C 18.90 -11.54 O 12.24 -10.18 O 20.10 -15.23 O 23.82 -12.94 O 16.01 -10.58 C 22.08 -6.53 C 22.52 -7.86 C 20.27 -7.86 C 16.85 -11.72 C 17.60 -10.82 C 18.90 -10.07 C 14.26 -11.54 C 17.60 -15.22 O 12.08 -12.63 O 22.61 -10.82 O 14.16 -13.96 O 20.20 -13.66 O 20.69 -6.53 C 12.86 -11.44 C 18.90 -14.51 C 22.61 -12.27 C 21.39 -8.70 C 14.88 -12.80 C 21.39 -12.94 C 14.95 -14.95 C 17.60 -12.27 C 16.29 -14.51 C 21.39 -10.13 C 20.20 -10.82 C 18.90 -13.00 C 16.29 -13.00 C 20.21 -12.27 33 1 -2 34 2 -2 35 3 -1 4 21 1 32 5 -1 32 6 -2 36 7 -2 37 8 -1 9 26 2 10 27 2 11 28 2 12 16 1 13 14 2 13 25 1 14 29 1 15 25 1 15 29 2 38 16 -1 17 18 1 17 33 1 18 36 1 19 26 1 30 19 -1 20 27 1 20 34 1 21 26 1 22 28 1 22 35 1 23 30 1 23 32 1 31 24 -1 39 24 -1 27 37 1 28 31 1 29 35 1 30 38 1 31 39 1 32 34 1 33 37 1 33 38 1 34 38 1 35 36 1 36 39 1 37 39 1', '39 44 H 17.60 -13.31 H 16.29 -15.47 H 21.39 -11.13 C:52 10.67 -12.63 C:29 13.72 -15.96 C:24 15.42 -16.33 C:20 20.20 -9.41 C:17 18.90 -11.54 O 12.24 -10.18 O 20.10 -15.23 O 23.82 -12.94 O 16.01 -10.58 C:143 22.08 -6.53 C:110 22.52 -7.86 C:141 20.27 -7.86 C:69 16.85 -11.72 C:19 17.60 -10.82 C:28 18.90 -10.07 C:37 14.26 -11.54 C:40 17.60 -15.22 O 12.08 -12.63 O 22.61 -10.82 O 14.16 -13.96 O 20.20 -13.66 O 20.69 -6.53 C:174 12.86 -11.44 C:212 18.90 -14.51 C:168 22.61 -12.27 C:120 21.39 -8.70 C:75 14.88 -12.80 C:55 21.39 -12.94 C:84 14.95 -14.95 C:36 17.60 -12.27 C 16.29 -14.51 C:78 21.39 -10.13 C:39 20.20 -10.82 C:48 18.90 -13.00 C 16.29 -13.00 C:70 20.21 -12.27 33 1 -2 34 2 -2 35 3 -1 4 21 1 32 5 -1 32 6 -2 36 7 -2 37 8 -1 9 26 2 10 27 2 11 28 2 12 16 1 13 14 2 13 25 1 14 29 1 15 25 1 15 29 2 38 16 -1 17 18 1 17 33 1 18 36 1 19 26 1 30 19 -1 20 27 1 20 34 1 21 26 1 22 28 1 22 35 1 23 30 1 23 32 1 31 24 -1 39 24 -1 27 37 1 28 31 1 29 35 1 30 38 1 31 39 1 32 34 1 33 37 1 33 38 1 34 38 1 35 36 1 36 39 1 37 39 1', 'C27H34O9', 502.307, 'C', 'ph08_1384_1', 4299, '', '', '1', 1, NULL, NULL),
(15975, '', '', 'Alkaloids', 'Oxazols', '', '[CH3:204001]O[c:204]3[cH:205][cH:206][c:201]([c:5]2[cH:4]n[c:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)o2)[cH:202][cH:203]3', 'COc3ccc(c2cnc(c1ccccc1)o2)cc3', '[CH3:55]O[c:160]3[cH:114][cH:126][c:121]([c:151]2[cH:122]n[c:161]([c:128]1[cH:126][cH:129][cH:130][cH:129][cH:126]1)o2)[cH:126][cH:114]3', '19 21 C:204001 12.17 -14.88 C:104 21.45 -7.25 C:105 22.28 -8.38 C:103 20.06 -7.40 C:106 21.71 -9.67 C:102 19.51 -8.68 C:205 15.81 -15.58 C:203 14.59 -13.48 C:206 17.02 -14.88 C:202 15.81 -12.78 C:4 19.51 -13.35 N 20.45 -12.32 O 13.38 -15.58 O 18.38 -11.40 C:204 14.59 -14.88 C:201 17.02 -13.48 C:101 20.32 -9.82 C:5 18.23 -12.78 C:2 19.75 -11.11 1 13 1 2 3 1 2 4 2 3 5 2 4 6 1 5 17 1 6 17 2 7 9 1 7 15 2 8 10 2 8 15 1 9 16 2 10 16 1 11 12 1 11 18 2 12 19 2 13 15 1 14 18 1 14 19 1 16 18 1 17 19 1', '19 21 C 12.17 -14.88 C 21.45 -7.25 C 22.28 -8.38 C 20.06 -7.40 C 21.71 -9.67 C 19.51 -8.68 C 15.81 -15.58 C 14.59 -13.48 C 17.02 -14.88 C 15.81 -12.78 C 19.51 -13.35 N 20.45 -12.32 O 13.38 -15.58 O 18.38 -11.40 C 14.59 -14.88 C 17.02 -13.48 C 20.32 -9.82 C 18.23 -12.78 C 19.75 -11.11 1 13 1 2 3 1 2 4 2 3 5 2 4 6 1 5 17 1 6 17 2 7 9 1 7 15 2 8 10 2 8 15 1 9 16 2 10 16 1 11 12 1 11 18 2 12 19 2 13 15 1 14 18 1 14 19 1 16 18 1 17 19 1', '19 21 C:55 12.17 -14.88 C:130 21.45 -7.25 C:129 22.28 -8.38 C:129 20.06 -7.40 C:126 21.71 -9.67 C:126 19.51 -8.68 C:114 15.81 -15.58 C:114 14.59 -13.48 C:126 17.02 -14.88 C:126 15.81 -12.78 C:122 19.51 -13.35 N 20.45 -12.32 O 13.38 -15.58 O 18.38 -11.40 C:160 14.59 -14.88 C:121 17.02 -13.48 C:128 20.32 -9.82 C:151 18.23 -12.78 C:161 19.75 -11.11 1 13 1 2 3 1 2 4 2 3 5 2 4 6 1 5 17 1 6 17 2 7 9 1 7 15 2 8 10 2 8 15 1 9 16 2 10 16 1 11 12 1 11 18 2 12 19 2 13 15 1 14 18 1 14 19 1 16 18 1 17 19 1', 'C16H13NO2', 251.177, 'C', 'ph08_1384_2', 4299, '', '', '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
(15989, '12-Ethoxynimbolinin A', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:15]24[CH2:16][C@@:17]([H])([c:20]1[cH:22][cH:23]o[cH:21]1)[C:13]([CH3:18])=[C:14]2[C@:8]3([CH3:30])[C@H:7](O)[C@@H:6]5O[CH2:28][C@:4]6([CH3:29])[C@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][C@H:1](O[C:1001](=O)[C:1002](=[CH2:1003])[CH3:1201])[C@:10]([CH3:19])([C@@:9]3([H])[CH2:11][C@H:12](O[CH2:12001][CH3:12002])O4)[C@@:5]56[H]', '[H][C@]24C[C@@]([H])(c1ccoc1)C(C)=C2[C@]3(C)[C@H](O)[C@@H]5OC[C@]6(C)[C@H](OC(C)=O)C[C@H](OC(=O)C(=C)C)[C@](C)([C@@]3([H])C[C@H](OCC)O4)[C@@]56[H]', '[H][C@:77]24[CH2:38][C@@:47]([H])([c:129]1[cH:110][cH:143]o[cH:139]1)[C:139]([CH3:16])=[C:145]2[C@:46]3([CH3:21])[C@H:73](O)[C@@H:74]5O[CH2:78][C@:43]6([CH3:20])[C@H:72](O[C:170]([CH3:21])=O)[CH2:27][C@H:71](O[C:166](=O)[C:137](=[CH2:125])[CH3:18])[C@:41]([CH3:16])([C@@:35]3([H])[CH2:32][C@H:97](O[CH2:62][CH3:15])O4)[C@@:38]56[H]', '47 52 H 20.12 -10.30 H 22.36 -12.10 H 16.74 -13.40 H 15.43 -15.60 C:1003 11.73 -8.12 C:12002 17.50 -6.20 C:1201 14.09 -8.12 C:3002 9.24 -15.36 C:18 20.41 -14.81 C:29 13.24 -16.54 C:30 18.01 -11.65 C:19 15.43 -11.60 O 10.45 -13.24 O 11.67 -10.90 O 19.21 -15.36 C:23 24.78 -14.41 C:22 23.37 -14.41 C:21 24.10 -12.25 C:12001 18.01 -7.51 C:28 14.82 -16.62 C:2 12.89 -13.10 C:11 16.59 -10.90 C:16 21.18 -11.23 O 17.10 -8.59 O 16.24 -16.62 O 11.67 -15.36 O 14.15 -10.90 O 19.00 -10.04 O 25.24 -13.10 C:1002 12.89 -8.82 C:3001 10.45 -14.64 C:1001 12.89 -10.22 C:13 20.41 -13.40 C:14 19.31 -12.59 C:20 22.95 -13.10 C:12 17.58 -9.90 C:3 12.89 -14.59 C:1 14.15 -12.32 C:7 18.01 -14.59 C:6 16.74 -15.36 C:15 19.76 -11.23 C:17 21.62 -12.59 C:9 16.74 -12.32 C:5 15.43 -14.59 C:4 14.15 -15.36 C:8 18.01 -13.10 C:10 15.43 -13.10 41 1 -2 42 2 -2 43 3 -2 44 4 -2 5 30 2 6 19 1 7 30 1 8 31 1 9 33 1 45 10 -1 46 11 -1 47 12 -1 13 31 2 14 32 2 39 15 -2 16 17 2 16 29 1 17 35 1 18 29 1 18 35 2 19 24 1 20 25 1 45 20 -2 21 37 1 21 38 1 22 36 1 22 43 1 23 41 1 23 42 1 36 24 -2 40 25 -2 26 31 1 37 26 -2 27 32 1 38 27 -2 28 36 1 28 41 1 30 32 1 33 34 2 33 42 1 34 41 1 34 46 1 35 42 1 37 45 1 38 47 1 39 40 1 39 46 1 40 44 1 43 46 1 43 47 1 44 45 1 44 47 1', '47 52 H 20.12 -10.30 H 22.36 -12.10 H 16.74 -13.40 H 15.43 -15.60 C 11.73 -8.12 C 17.50 -6.20 C 14.09 -8.12 C 9.24 -15.36 C 20.41 -14.81 C 13.24 -16.54 C 18.01 -11.65 C 15.43 -11.60 O 10.45 -13.24 O 11.67 -10.90 O 19.21 -15.36 C 24.78 -14.41 C 23.37 -14.41 C 24.10 -12.25 C 18.01 -7.51 C 14.82 -16.62 C 12.89 -13.10 C 16.59 -10.90 C 21.18 -11.23 O 17.10 -8.59 O 16.24 -16.62 O 11.67 -15.36 O 14.15 -10.90 O 19.00 -10.04 O 25.24 -13.10 C 12.89 -8.82 C 10.45 -14.64 C 12.89 -10.22 C 20.41 -13.40 C 19.31 -12.59 C 22.95 -13.10 C 17.58 -9.90 C 12.89 -14.59 C 14.15 -12.32 C 18.01 -14.59 C 16.74 -15.36 C 19.76 -11.23 C 21.62 -12.59 C 16.74 -12.32 C 15.43 -14.59 C 14.15 -15.36 C 18.01 -13.10 C 15.43 -13.10 41 1 -2 42 2 -2 43 3 -2 44 4 -2 5 30 2 6 19 1 7 30 1 8 31 1 9 33 1 45 10 -1 46 11 -1 47 12 -1 13 31 2 14 32 2 39 15 -2 16 17 2 16 29 1 17 35 1 18 29 1 18 35 2 19 24 1 20 25 1 45 20 -2 21 37 1 21 38 1 22 36 1 22 43 1 23 41 1 23 42 1 36 24 -2 40 25 -2 26 31 1 37 26 -2 27 32 1 38 27 -2 28 36 1 28 41 1 30 32 1 33 34 2 33 42 1 34 41 1 34 46 1 35 42 1 37 45 1 38 47 1 39 40 1 39 46 1 40 44 1 43 46 1 43 47 1 44 45 1 44 47 1', '47 52 H 20.12 -10.30 H 22.36 -12.10 H 16.74 -13.40 H 15.43 -15.60 C:125 11.73 -8.12 C:15 17.50 -6.20 C:18 14.09 -8.12 C:21 9.24 -15.36 C:16 20.41 -14.81 C:20 13.24 -16.54 C:21 18.01 -11.65 C:16 15.43 -11.60 O 10.45 -13.24 O 11.67 -10.90 O 19.21 -15.36 C:143 24.78 -14.41 C:110 23.37 -14.41 C:139 24.10 -12.25 C:62 18.01 -7.51 C:78 14.82 -16.62 C:27 12.89 -13.10 C:32 16.59 -10.90 C:38 21.18 -11.23 O 17.10 -8.59 O 16.24 -16.62 O 11.67 -15.36 O 14.15 -10.90 O 19.00 -10.04 O 25.24 -13.10 C:137 12.89 -8.82 C:170 10.45 -14.64 C:166 12.89 -10.22 C:139 20.41 -13.40 C:145 19.31 -12.59 C:129 22.95 -13.10 C:97 17.58 -9.90 C:72 12.89 -14.59 C:71 14.15 -12.32 C:73 18.01 -14.59 C:74 16.74 -15.36 C:77 19.76 -11.23 C:47 21.62 -12.59 C:35 16.74 -12.32 C:38 15.43 -14.59 C:43 14.15 -15.36 C:46 18.01 -13.10 C:41 15.43 -13.10 41 1 -2 42 2 -2 43 3 -2 44 4 -2 5 30 2 6 19 1 7 30 1 8 31 1 9 33 1 45 10 -1 46 11 -1 47 12 -1 13 31 2 14 32 2 39 15 -2 16 17 2 16 29 1 17 35 1 18 29 1 18 35 2 19 24 1 20 25 1 45 20 -2 21 37 1 21 38 1 22 36 1 22 43 1 23 41 1 23 42 1 36 24 -2 40 25 -2 26 31 1 37 26 -2 27 32 1 38 27 -2 28 36 1 28 41 1 30 32 1 33 34 2 33 42 1 34 41 1 34 46 1 35 42 1 37 45 1 38 47 1 39 40 1 39 46 1 40 44 1 43 46 1 43 47 1 44 45 1 44 47 1', 'C34H46O9', 598.39, 'C', 'pm07_1298_2', 4013, '', '', '1', 1, NULL, NULL),
(15990, '12-Ethoxynimbolinin B', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@:15]25[CH2:16][C@@:17]([H])([c:20]1[cH:22][cH:23]o[cH:21]1)[C:13]([CH3:18])=[C:14]2[C@:8]4([CH3:30])[C@H:7](O)[C@@H:6]6O[CH2:28][C@:4]7([CH3:29])[C@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][C@H:1](O[C:1001](=O)[CH:1002]=[CH:1003][c:1004]3[cH:1005][cH:1006][cH:1007][cH:1008][cH:1009]3)[C@:10]([CH3:19])([C@@:9]4([H])[CH2:11][C@H:12](O[CH2:12001][CH3:12002])O5)[C@@:5]67[H]', '[H][C@]25C[C@@]([H])(c1ccoc1)C(C)=C2[C@]4(C)[C@H](O)[C@@H]6OC[C@]7(C)[C@H](OC(C)=O)C[C@H](OC(=O)C=Cc3ccccc3)[C@](C)([C@@]4([H])C[C@H](OCC)O5)[C@@]67[H]', '[H][C@:77]25[CH2:38][C@@:47]([H])([c:129]1[cH:111][cH:143]o[cH:139]1)[C:139]([CH3:16])=[C:145]2[C@:46]4([CH3:21])[C@H:74](O)[C@@H:74]6O[CH2:78][C@:43]7([CH3:20])[C@H:72](O[C:170]([CH3:21])=O)[CH2:28][C@H:71](O[C:166](=O)[CH:120]=[CH:144][c:135]3[cH:128][cH:129][cH:130][cH:129][cH:128]3)[C@:41]([CH3:16])([C@@:35]4([H])[CH2:32][C@H:97](O[CH2:62][CH3:15])O5)[C@@:38]67[H]', '52 58 H 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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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