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
(18476, '', '(23R,24R)-16b ,23;16a ,24-diepoxy-cycloartane-3b,15a,25-triol 3-O-b-D-xylopyranoside', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:5]47[CH2:6][CH2:7][C@@:8]3([H])[C@:14]2([CH3:30])[C@@H:15](O)[C@:16]18O[C@H:23]([CH2:22][C@@H:20]([CH3:21])[C@:17]1([H])[C@@:13]2([CH3:18])[CH2:12][CH2:11][C@:9]35[CH2:19][C@:10]45[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]6O)[C@:4]7([CH3:28])[CH3:29])[C@H:24]([C:25]([CH3:27])([CH3:26])O)O8', '[H][C@@]47CC[C@@]3([H])[C@]2(C)[C@@H](O)[C@]18O[C@H](C[C@@H](C)[C@]1([H])[C@@]2(C)CC[C@]35C[C@]45CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@]7(C)C)[C@H](C(C)(C)O)O8', '[H][C@@:48]47[CH2:21][CH2:26][C@@:49]3([H])[C@:48]2([CH3:12])[C@@H:81](O)[C@:112]18O[C@H:74]([CH2:30][C@@H:24]([CH3:20])[C@:61]1([H])[C@@:42]2([CH3:20])[CH2:34][CH2:27][C@:20]35[CH2:30][C@:27]45[CH2:33][CH2:30][C@H:89](O[C@@H:108]6O[CH2:67][C@@H:71](O)[C@H:79](O)[C@H:76]6O)[C@:41]7([CH3:26])[CH3:16])[C@H:84]([C:69]([CH3:26])([CH3:31])O)O8', '47 54 H 15.95 -14.72 H 18.41 -11.14 H 20.61 -8.82 C:21 20.76 -7.18 C:27 26.18 -12.15 C:26 26.74 -9.81 C:28 15.52 -15.57 C:29 13.72 -15.57 C:18 19.72 -8.55 C:30 19.72 -12.85 O 7.37 -11.47 O 7.37 -14.28 O 9.80 -15.69 O 21.44 -13.23 O 27.13 -11.14 C:2 13.43 -12.15 C:1 14.65 -11.47 C:6 17.18 -14.33 C:7 18.41 -13.59 C:12 18.41 -9.27 C:11 17.18 -10.02 C:105 9.80 -11.47 C:22 23.01 -8.10 C:19 15.95 -10.74 O 11.00 -12.19 O 12.22 -14.28 O 22.67 -9.54 O 23.26 -11.47 C:20 21.61 -8.28 C:104 8.56 -12.19 C:103 8.56 -13.59 C:102 9.80 -14.28 C:23 23.86 -9.27 C:3 13.43 -13.59 C:15 21.03 -11.88 C:101 11.00 -13.59 C:24 24.42 -10.50 C:25 25.79 -10.83 C:4 14.65 -14.33 C:5 15.95 -13.59 C:8 18.41 -12.15 C:13 19.72 -10.02 C:17 21.03 -9.54 C:14 19.72 -11.47 C:10 15.95 -12.15 C:9 17.18 -11.47 C:16 21.90 -10.74 40 1 -2 41 2 -1 43 3 -2 29 4 -2 5 38 1 6 38 1 39 7 -2 39 8 -1 42 9 -1 44 10 -2 30 11 -2 31 12 -1 32 13 -2 35 14 -2 15 38 1 16 17 1 16 34 1 17 45 1 18 19 1 18 40 1 19 41 1 20 21 1 20 42 1 21 46 1 22 25 1 22 30 1 23 29 1 23 33 1 45 24 -1 46 24 -1 25 36 1 34 26 -1 36 26 -1 33 27 -2 47 27 -1 37 28 -2 47 28 -2 29 43 1 30 31 1 31 32 1 32 36 1 33 37 1 34 39 1 35 44 1 35 47 1 37 38 1 39 40 1 40 45 1 41 44 1 41 46 1 42 43 1 42 44 1 43 47 1 45 46 1', '47 54 H 15.95 -14.72 H 18.41 -11.14 H 20.61 -8.82 C 20.76 -7.18 C 26.18 -12.15 C 26.74 -9.81 C 15.52 -15.57 C 13.72 -15.57 C 19.72 -8.55 C 19.72 -12.85 O 7.37 -11.47 O 7.37 -14.28 O 9.80 -15.69 O 21.44 -13.23 O 27.13 -11.14 C 13.43 -12.15 C 14.65 -11.47 C 17.18 -14.33 C 18.41 -13.59 C 18.41 -9.27 C 17.18 -10.02 C 9.80 -11.47 C 23.01 -8.10 C 15.95 -10.74 O 11.00 -12.19 O 12.22 -14.28 O 22.67 -9.54 O 23.26 -11.47 C 21.61 -8.28 C 8.56 -12.19 C 8.56 -13.59 C 9.80 -14.28 C 23.86 -9.27 C 13.43 -13.59 C 21.03 -11.88 C 11.00 -13.59 C 24.42 -10.50 C 25.79 -10.83 C 14.65 -14.33 C 15.95 -13.59 C 18.41 -12.15 C 19.72 -10.02 C 21.03 -9.54 C 19.72 -11.47 C 15.95 -12.15 C 17.18 -11.47 C 21.90 -10.74 40 1 -2 41 2 -1 43 3 -2 29 4 -2 5 38 1 6 38 1 39 7 -2 39 8 -1 42 9 -1 44 10 -2 30 11 -2 31 12 -1 32 13 -2 35 14 -2 15 38 1 16 17 1 16 34 1 17 45 1 18 19 1 18 40 1 19 41 1 20 21 1 20 42 1 21 46 1 22 25 1 22 30 1 23 29 1 23 33 1 45 24 -1 46 24 -1 25 36 1 34 26 -1 36 26 -1 33 27 -2 47 27 -1 37 28 -2 47 28 -2 29 43 1 30 31 1 31 32 1 32 36 1 33 37 1 34 39 1 35 44 1 35 47 1 37 38 1 39 40 1 40 45 1 41 44 1 41 46 1 42 43 1 42 44 1 43 47 1 45 46 1', '47 54 H 15.95 -14.72 H 18.41 -11.14 H 20.61 -8.82 C:20 20.76 -7.18 C:26 26.18 -12.15 C:31 26.74 -9.81 C:26 15.52 -15.57 C:16 13.72 -15.57 C:20 19.72 -8.55 C:12 19.72 -12.85 O 7.37 -11.47 O 7.37 -14.28 O 9.80 -15.69 O 21.44 -13.23 O 27.13 -11.14 C:30 13.43 -12.15 C:33 14.65 -11.47 C:21 17.18 -14.33 C:26 18.41 -13.59 C:34 18.41 -9.27 C:27 17.18 -10.02 C:67 9.80 -11.47 C:30 23.01 -8.10 C:30 15.95 -10.74 O 11.00 -12.19 O 12.22 -14.28 O 22.67 -9.54 O 23.26 -11.47 C:24 21.61 -8.28 C:71 8.56 -12.19 C:79 8.56 -13.59 C:76 9.80 -14.28 C:74 23.86 -9.27 C:89 13.43 -13.59 C:81 21.03 -11.88 C:108 11.00 -13.59 C:84 24.42 -10.50 C:69 25.79 -10.83 C:41 14.65 -14.33 C:48 15.95 -13.59 C:49 18.41 -12.15 C:42 19.72 -10.02 C:61 21.03 -9.54 C:48 19.72 -11.47 C:27 15.95 -12.15 C:20 17.18 -11.47 C:112 21.90 -10.74 40 1 -2 41 2 -1 43 3 -2 29 4 -2 5 38 1 6 38 1 39 7 -2 39 8 -1 42 9 -1 44 10 -2 30 11 -2 31 12 -1 32 13 -2 35 14 -2 15 38 1 16 17 1 16 34 1 17 45 1 18 19 1 18 40 1 19 41 1 20 21 1 20 42 1 21 46 1 22 25 1 22 30 1 23 29 1 23 33 1 45 24 -1 46 24 -1 25 36 1 34 26 -1 36 26 -1 33 27 -2 47 27 -1 37 28 -2 47 28 -2 29 43 1 30 31 1 31 32 1 32 36 1 33 37 1 34 39 1 35 44 1 35 47 1 37 38 1 39 40 1 40 45 1 41 44 1 41 46 1 42 43 1 42 44 1 43 47 1 45 46 1', 'C35H56O9', 620.393, 'P', 'cpb06_1322_5', 4645, '', '', '1', 47, NULL, NULL),
(18477, '', '(8R,9S,22R)-3-Ethoxy-3-oxo-9,19-cyclo-3,4-secolanosta-4(28),24-dien-26-oic Acid 22,26-Lactone', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[C@H:22]1[CH2:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O1)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@@:10]3([CH2:1][CH2:2][C:3](=O)O[CH2:3001][CH3:3002])[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)[C@H]1CC=C(C)C(=O)O1)CC[C@@]5(C)[C@]2([H])CC[C@@H](C(=C)C)[C@@]3(CCC(=O)OCC)C[C@@]23CC[C@]45C', '[H][C@:48]4([C@H:39]([CH3:13])[C@H:81]1[CH2:23][CH:139]=[C:128]([CH3:17])[C:167](=O)O1)[CH2:27][CH2:36][C@@:49]5([CH3:20])[C@:48]2([H])[CH2:28][CH2:25][C@@H:46]([C:149](=[CH2:112])[CH3:19])[C@@:27]3([CH2:29][CH2:32][C:174](=O)O[CH2:60][CH3:14])[CH2:30][C@@:21]23[CH2:27][CH2:33][C@:46]45[CH3:18]', '38 42 H 20.32 -10.91 H 17.88 -11.48 C:28 14.16 -16.18 C:3002 8.06 -12.52 C:29 12.90 -14.05 C:27 26.49 -7.48 C:21 19.99 -7.60 C:18 19.15 -9.03 C:30 19.15 -13.30 O 11.70 -10.46 O 25.71 -10.02 C:24 24.18 -6.71 C:3001 9.28 -11.83 C:2 12.90 -12.54 C:23 22.80 -7.02 C:6 16.67 -14.78 C:1 14.16 -11.86 C:7 17.88 -14.05 C:16 21.34 -11.16 C:15 20.47 -12.31 C:12 17.88 -9.73 C:11 16.67 -10.46 C:19 15.42 -11.16 O 10.49 -12.54 O 23.33 -9.38 C:4 14.16 -14.78 C:25 25.12 -7.75 C:3 11.70 -11.86 C:26 24.71 -9.03 C:20 20.93 -8.67 C:22 22.38 -8.35 C:5 15.42 -14.05 C:17 20.47 -10.02 C:8 17.88 -12.54 C:13 19.15 -10.46 C:14 19.15 -11.86 C:10 15.42 -12.54 C:9 16.67 -11.86 33 1 -2 34 2 -1 3 26 2 4 13 1 5 26 1 6 27 1 30 7 -2 35 8 -1 36 9 -2 10 28 2 11 29 2 12 15 1 12 27 2 13 24 1 14 17 1 14 28 1 15 31 1 16 18 1 16 32 1 37 17 -2 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 21 35 1 22 38 1 23 37 1 38 23 -1 24 28 1 25 29 1 31 25 -1 32 26 -1 27 29 1 30 31 1 30 33 1 32 37 1 33 35 1 34 36 1 34 38 1 35 36 1 37 38 1', '38 42 H 20.32 -10.91 H 17.88 -11.48 C 14.16 -16.18 C 8.06 -12.52 C 12.90 -14.05 C 26.49 -7.48 C 19.99 -7.60 C 19.15 -9.03 C 19.15 -13.30 O 11.70 -10.46 O 25.71 -10.02 C 24.18 -6.71 C 9.28 -11.83 C 12.90 -12.54 C 22.80 -7.02 C 16.67 -14.78 C 14.16 -11.86 C 17.88 -14.05 C 21.34 -11.16 C 20.47 -12.31 C 17.88 -9.73 C 16.67 -10.46 C 15.42 -11.16 O 10.49 -12.54 O 23.33 -9.38 C 14.16 -14.78 C 25.12 -7.75 C 11.70 -11.86 C 24.71 -9.03 C 20.93 -8.67 C 22.38 -8.35 C 15.42 -14.05 C 20.47 -10.02 C 17.88 -12.54 C 19.15 -10.46 C 19.15 -11.86 C 15.42 -12.54 C 16.67 -11.86 33 1 -2 34 2 -1 3 26 2 4 13 1 5 26 1 6 27 1 30 7 -2 35 8 -1 36 9 -2 10 28 2 11 29 2 12 15 1 12 27 2 13 24 1 14 17 1 14 28 1 15 31 1 16 18 1 16 32 1 37 17 -2 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 21 35 1 22 38 1 23 37 1 38 23 -1 24 28 1 25 29 1 31 25 -1 32 26 -1 27 29 1 30 31 1 30 33 1 32 37 1 33 35 1 34 36 1 34 38 1 35 36 1 37 38 1', '38 42 H 20.32 -10.91 H 17.88 -11.48 C:112 14.16 -16.18 C:14 8.06 -12.52 C:19 12.90 -14.05 C:17 26.49 -7.48 C:13 19.99 -7.60 C:18 19.15 -9.03 C:20 19.15 -13.30 O 11.70 -10.46 O 25.71 -10.02 C:139 24.18 -6.71 C:60 9.28 -11.83 C:32 12.90 -12.54 C:23 22.80 -7.02 C:25 16.67 -14.78 C:29 14.16 -11.86 C:28 17.88 -14.05 C:27 21.34 -11.16 C:36 20.47 -12.31 C:33 17.88 -9.73 C:27 16.67 -10.46 C:30 15.42 -11.16 O 10.49 -12.54 O 23.33 -9.38 C:149 14.16 -14.78 C:128 25.12 -7.75 C:174 11.70 -11.86 C:167 24.71 -9.03 C:39 20.93 -8.67 C:81 22.38 -8.35 C:46 15.42 -14.05 C:48 20.47 -10.02 C:48 17.88 -12.54 C:46 19.15 -10.46 C:49 19.15 -11.86 C:27 15.42 -12.54 C:21 16.67 -11.86 33 1 -2 34 2 -1 3 26 2 4 13 1 5 26 1 6 27 1 30 7 -2 35 8 -1 36 9 -2 10 28 2 11 29 2 12 15 1 12 27 2 13 24 1 14 17 1 14 28 1 15 31 1 16 18 1 16 32 1 37 17 -2 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 21 35 1 22 38 1 23 37 1 38 23 -1 24 28 1 25 29 1 31 25 -1 32 26 -1 27 29 1 30 31 1 30 33 1 32 37 1 33 35 1 34 36 1 34 38 1 35 36 1 37 38 1', 'C32H48O4', 496.356, 'C', 'hca06_1888_1', 4646, '', '', '1', 47, NULL, NULL),
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12.93 -13.64 C:15 20.58 -11.91 C:24 24.26 -10.38 C:25 23.70 -11.66 C:4 14.19 -14.36 C:23 23.43 -9.26 C:5 15.46 -13.64 C:8 17.96 -12.17 C:13 19.21 -10.03 C:17 20.58 -9.57 C:14 19.21 -11.47 C:10 15.46 -12.17 C:9 16.73 -11.47 C:16 21.47 -10.75 43 1 -1 44 2 -2 45 3 -1 47 4 -2 5 32 1 33 6 -2 41 7 -1 41 8 -2 42 9 -1 42 10 -2 46 11 -1 48 12 -2 13 32 2 34 14 -1 35 15 -1 36 16 -2 39 17 -2 18 20 1 18 38 1 19 27 1 19 34 1 20 49 1 21 22 1 21 44 1 22 45 1 23 24 1 23 46 1 24 50 1 25 33 1 25 43 1 49 26 -1 50 26 -1 27 37 1 28 32 1 40 28 -2 37 29 -1 38 29 -1 30 41 1 51 30 -2 31 43 1 31 51 1 33 47 1 34 35 1 35 36 1 36 37 1 38 42 1 39 48 1 39 51 1 40 41 1 40 43 1 42 44 1 44 49 1 45 48 1 45 50 1 46 47 1 46 48 1 47 51 1 49 50 1', '51 58 H 24.44 -9.10 H 15.46 -14.75 H 17.96 -11.05 H 20.16 -8.84 C 27.61 -8.74 C 20.31 -7.17 C 25.10 -11.87 C 23.48 -13.03 C 13.24 -15.63 C 15.04 -15.59 C 19.24 -8.57 C 19.24 -12.87 O 25.37 -7.78 O 6.87 -11.52 O 6.87 -14.30 O 9.31 -15.70 O 21.01 -13.25 C 12.93 -12.17 C 9.31 -11.52 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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
(18488, 'Neocimigenol', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:23]67[CH2:22][C@@H:20]([CH3:21])[C@:17]5([H])[C@@:13]4([CH3:18])[CH2:12][CH2:11][C@@:9]13[CH2:19][C@@:10]12[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][CH2:7][C@@:8]3([H])[C@:14]4([CH3:30])[C@@H:15](O)[C@:16]5(O[C@:25]([CH3:27])([CH3:26])[C@H:24]6O[C:24001]([CH3:24002])=O)O7', '[H][C@@]67C[C@@H](C)[C@]5([H])[C@@]4(C)CC[C@@]13C[C@@]12CC[C@H](O)[C@](C)(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)[C@@H](O)[C@]5(O[C@](C)(C)[C@H]6OC(C)=O)O7', '[H][C@@:68]67[CH2:30][C@@H:26]([CH3:21])[C@:62]5([H])[C@@:41]4([CH3:20])[CH2:34][CH2:27][C@@:20]13[CH2:31][C@@:27]12[CH2:33][CH2:31][C@H:78](O)[C@:41]([CH3:26])([CH3:15])[C@:47]2([H])[CH2:21][CH2:26][C@@:49]3([H])[C@:47]4([CH3:12])[C@@H:83](O)[C@:106]5(O[C@:75]([CH3:34])([CH3:27])[C@H:75]6O[C:171]([CH3:21])=O)O7', '42 48 H 22.03 -9.10 H 13.05 -14.75 H 15.55 -11.05 H 17.75 -8.84 C:24002 25.20 -8.74 C:21 17.90 -7.17 C:27 21.07 -13.03 C:26 22.69 -11.87 C:28 12.63 -15.59 C:29 10.83 -15.63 C:18 16.83 -8.57 C:30 16.83 -12.87 O 22.96 -7.78 O 9.31 -14.36 O 18.60 -13.25 C:2 10.52 -12.17 C:6 14.32 -14.36 C:7 15.55 -13.64 C:12 15.55 -9.30 C:1 11.78 -11.47 C:11 14.32 -10.03 C:22 20.17 -8.11 C:19 13.05 -10.75 O 23.25 -10.21 O 19.90 -11.82 O 20.46 -10.57 C:24001 23.81 -8.91 C:20 18.76 -8.28 C:3 10.52 -13.64 C:15 18.17 -11.91 C:24 21.85 -10.38 C:25 21.29 -11.66 C:4 11.78 -14.36 C:23 21.02 -9.26 C:5 13.05 -13.64 C:8 15.55 -12.17 C:13 16.80 -10.03 C:17 18.17 -9.57 C:14 16.80 -11.47 C:10 13.05 -12.17 C:9 14.32 -11.47 C:16 19.06 -10.75 34 1 -1 35 2 -2 36 3 -1 38 4 -2 5 27 1 28 6 -2 32 7 -2 32 8 -1 33 9 -2 33 10 -1 37 11 -1 39 12 -2 13 27 2 29 14 -1 30 15 -2 16 20 1 16 29 1 17 18 1 17 35 1 18 36 1 19 21 1 19 37 1 20 40 1 21 41 1 22 28 1 22 34 1 40 23 -1 41 23 -1 24 27 1 31 24 -2 25 32 1 42 25 -2 26 34 1 26 42 1 28 38 1 29 33 1 30 39 1 30 42 1 31 32 1 31 34 1 33 35 1 35 40 1 36 39 1 36 41 1 37 38 1 37 39 1 38 42 1 40 41 1', '42 48 H 22.03 -9.10 H 13.05 -14.75 H 15.55 -11.05 H 17.75 -8.84 C 25.20 -8.74 C 17.90 -7.17 C 21.07 -13.03 C 22.69 -11.87 C 12.63 -15.59 C 10.83 -15.63 C 16.83 -8.57 C 16.83 -12.87 O 22.96 -7.78 O 9.31 -14.36 O 18.60 -13.25 C 10.52 -12.17 C 14.32 -14.36 C 15.55 -13.64 C 15.55 -9.30 C 11.78 -11.47 C 14.32 -10.03 C 20.17 -8.11 C 13.05 -10.75 O 23.25 -10.21 O 19.90 -11.82 O 20.46 -10.57 C 23.81 -8.91 C 18.76 -8.28 C 10.52 -13.64 C 18.17 -11.91 C 21.85 -10.38 C 21.29 -11.66 C 11.78 -14.36 C 21.02 -9.26 C 13.05 -13.64 C 15.55 -12.17 C 16.80 -10.03 C 18.17 -9.57 C 16.80 -11.47 C 13.05 -12.17 C 14.32 -11.47 C 19.06 -10.75 34 1 -1 35 2 -2 36 3 -1 38 4 -2 5 27 1 28 6 -2 32 7 -2 32 8 -1 33 9 -2 33 10 -1 37 11 -1 39 12 -2 13 27 2 29 14 -1 30 15 -2 16 20 1 16 29 1 17 18 1 17 35 1 18 36 1 19 21 1 19 37 1 20 40 1 21 41 1 22 28 1 22 34 1 40 23 -1 41 23 -1 24 27 1 31 24 -2 25 32 1 42 25 -2 26 34 1 26 42 1 28 38 1 29 33 1 30 39 1 30 42 1 31 32 1 31 34 1 33 35 1 35 40 1 36 39 1 36 41 1 37 38 1 37 39 1 38 42 1 40 41 1', '42 48 H 22.03 -9.10 H 13.05 -14.75 H 15.55 -11.05 H 17.75 -8.84 C:21 25.20 -8.74 C:21 17.90 -7.17 C:34 21.07 -13.03 C:27 22.69 -11.87 C:26 12.63 -15.59 C:15 10.83 -15.63 C:20 16.83 -8.57 C:12 16.83 -12.87 O 22.96 -7.78 O 9.31 -14.36 O 18.60 -13.25 C:31 10.52 -12.17 C:21 14.32 -14.36 C:26 15.55 -13.64 C:34 15.55 -9.30 C:33 11.78 -11.47 C:27 14.32 -10.03 C:30 20.17 -8.11 C:31 13.05 -10.75 O 23.25 -10.21 O 19.90 -11.82 O 20.46 -10.57 C:171 23.81 -8.91 C:26 18.76 -8.28 C:78 10.52 -13.64 C:83 18.17 -11.91 C:75 21.85 -10.38 C:75 21.29 -11.66 C:41 11.78 -14.36 C:68 21.02 -9.26 C:47 13.05 -13.64 C:49 15.55 -12.17 C:41 16.80 -10.03 C:62 18.17 -9.57 C:47 16.80 -11.47 C:27 13.05 -12.17 C:20 14.32 -11.47 C:106 19.06 -10.75 34 1 -1 35 2 -2 36 3 -1 38 4 -2 5 27 1 28 6 -2 32 7 -2 32 8 -1 33 9 -2 33 10 -1 37 11 -1 39 12 -2 13 27 2 29 14 -1 30 15 -2 16 20 1 16 29 1 17 18 1 17 35 1 18 36 1 19 21 1 19 37 1 20 40 1 21 41 1 22 28 1 22 34 1 40 23 -1 41 23 -1 24 27 1 31 24 -2 25 32 1 42 25 -2 26 34 1 26 42 1 28 38 1 29 33 1 30 39 1 30 42 1 31 32 1 31 34 1 33 35 1 35 40 1 36 39 1 36 41 1 37 38 1 37 39 1 38 42 1 40 41 1', 'C32H50O6', 530.371, 'P', 'np06_829_1a', 4650, '', '', '1', 47, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(18499, '', '3-O-b -Dglucopyranosyl-(1→4)-b -D-fucopyranosyl (22S,24Z)-cycloart-24-en-3b ,22,26-triol 26-O-b -D-glucopyranoside.', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]7([C@H:20]([CH3:21])[C@@H:22](O)[CH2:23][CH:24]=[C:25]([CH3:27])[CH2:26]O[C@@H:301]1O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]1O)[CH2:16][CH2:15][C@@:14]8([CH3:30])[C@:8]5([H])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O[C@@H:101]3O[C@H:105]([CH3:106])[C@H:104](O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@H:103](O)[C@H:102]3O)[CH2:2][CH2:1][C@@:10]46[CH2:19][C@@:9]56[CH2:11][CH2:12][C@:13]78[CH3:18]', '[H][C@]7([C@H](C)[C@@H](O)CC=C(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@]8(C)[C@]5([H])CC[C@@]4([H])[C@@](C)(C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)CC[C@@]46C[C@@]56CC[C@]78C', 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C:12 18.93 -9.07 C:11 17.73 -9.79 C:19 16.47 -10.50 O 27.19 -11.93 O 11.57 -11.93 O 25.37 -13.54 O 9.14 -9.13 O 12.79 -14.08 O 7.92 -11.23 C:25 26.69 -9.51 C:105 10.35 -11.23 C:22 23.40 -7.69 C:20 21.98 -8.01 C:303 27.19 -15.67 C:203 6.71 -7.73 C:304 25.82 -15.92 C:204 7.92 -7.03 C:302 27.65 -14.32 C:202 6.71 -9.13 C:102 10.35 -14.03 C:103 9.14 -13.33 C:305 24.90 -14.86 C:205 9.14 -7.73 C:301 26.73 -13.27 C:101 11.57 -13.33 C:201 7.92 -9.83 C:3 13.99 -13.36 C:104 9.14 -11.93 C:4 15.23 -14.08 C:17 21.52 -9.34 C:5 16.47 -13.36 C:8 18.93 -11.90 C:13 20.18 -9.79 C:14 20.18 -11.23 C:10 16.47 -11.90 C:9 17.73 -11.23 62 1 -2 63 2 -2 64 3 -1 4 42 1 43 5 -1 45 6 -2 61 7 -2 61 8 -1 65 9 -1 66 10 -2 11 23 1 12 24 1 44 13 -1 46 14 -1 47 15 -1 48 16 -2 49 17 -2 50 18 -2 51 19 -2 52 20 -2 53 21 -1 22 25 1 22 42 2 54 23 -1 55 24 -1 25 44 1 26 28 1 26 59 1 27 36 1 27 42 1 28 67 1 29 32 1 29 62 1 30 31 1 30 63 1 31 64 1 32 66 1 33 34 1 33 65 1 34 68 1 67 35 -1 68 35 -1 56 36 -1 37 43 1 37 57 1 38 54 1 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9.14 -13.33 C 24.90 -14.86 C 9.14 -7.73 C 26.73 -13.27 C 11.57 -13.33 C 7.92 -9.83 C 13.99 -13.36 C 9.14 -11.93 C 15.23 -14.08 C 21.52 -9.34 C 16.47 -13.36 C 18.93 -11.90 C 20.18 -9.79 C 20.18 -11.23 C 16.47 -11.90 C 17.73 -11.23 62 1 -2 63 2 -2 64 3 -1 4 42 1 43 5 -1 45 6 -2 61 7 -2 61 8 -1 65 9 -1 66 10 -2 11 23 1 12 24 1 44 13 -1 46 14 -1 47 15 -1 48 16 -2 49 17 -2 50 18 -2 51 19 -2 52 20 -2 53 21 -1 22 25 1 22 42 2 54 23 -1 55 24 -1 25 44 1 26 28 1 26 59 1 27 36 1 27 42 1 28 67 1 29 32 1 29 62 1 30 31 1 30 63 1 31 64 1 32 66 1 33 34 1 33 65 1 34 68 1 67 35 -1 68 35 -1 56 36 -1 37 43 1 37 57 1 38 54 1 38 56 1 39 55 1 39 58 1 57 40 -1 59 40 -1 58 41 -1 60 41 -1 43 60 1 44 45 1 45 62 1 46 48 1 46 50 1 47 49 1 47 51 1 48 54 1 49 55 1 50 56 1 51 58 1 52 53 1 52 57 1 53 60 1 59 61 1 61 63 1 62 65 1 63 67 1 64 66 1 64 68 1 65 66 1 67 68 1', '68 75 H 21.37 -10.24 H 16.47 -14.48 H 18.93 -10.80 C:22 28.10 -9.22 C:18 10.35 -9.83 C:12 21.03 -6.94 C:26 16.05 -15.27 C:20 14.29 -15.31 C:18 20.18 -8.40 C:15 20.18 -12.61 O 23.08 -16.45 O 11.57 -7.73 O 23.85 -6.36 O 28.10 -16.73 O 5.50 -7.03 O 25.37 -17.24 O 7.92 -5.63 O 29.02 -14.03 O 5.50 -9.83 O 10.38 -15.43 O 7.92 -14.03 C:129 25.74 -8.47 C:63 23.53 -15.13 C:63 10.35 -7.03 C:35 24.35 -8.77 C:30 13.99 -11.90 C:67 26.26 -10.89 C:32 15.23 -11.23 C:28 22.39 -10.50 C:21 17.73 -14.08 C:26 18.93 -13.36 C:33 21.52 -11.63 C:36 18.93 -9.07 C:26 17.73 -9.79 C:30 16.47 -10.50 O 27.19 -11.93 O 11.57 -11.93 O 25.37 -13.54 O 9.14 -9.13 O 12.79 -14.08 O 7.92 -11.23 C:133 26.69 -9.51 C:70 10.35 -11.23 C:73 23.40 -7.69 C:42 21.98 -8.01 C:79 27.19 -15.67 C:79 6.71 -7.73 C:72 25.82 -15.92 C:72 7.92 -7.03 C:75 27.65 -14.32 C:76 6.71 -9.13 C:74 10.35 -14.03 C:76 9.14 -13.33 C:78 24.90 -14.86 C:79 9.14 -7.73 C:103 26.73 -13.27 C:107 11.57 -13.33 C:107 7.92 -9.83 C:89 13.99 -13.36 C:83 9.14 -11.93 C:41 15.23 -14.08 C:49 21.52 -9.34 C:48 16.47 -13.36 C:48 18.93 -11.90 C:46 20.18 -9.79 C:49 20.18 -11.23 C:27 16.47 -11.90 C:20 17.73 -11.23 62 1 -2 63 2 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(18500, '', '3-O-b -D-glucopyranosyl-(1→4)-b -D-fucopyranosyl', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]8([C@H:20]([CH3:21])[C@@H:22](O)[CH2:23][CH:24]=[C:25]([CH3:27])[CH2:26]O[C@@H:301]2O[C@H:305]([CH2:306]O[C@@H:401]1O[C@H:405]([CH3:406])[C@@H:404](O)[C@H:403](O)[C@H:402]1O)[C@@H:304](O)[C@H:303](O)[C@H:302]2O)[CH2:16][CH2:15][C@@:14]9([CH3:30])[C@:8]6([H])[CH2:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C@@H:101]4O[C@H:105]([CH3:106])[C@H:104](O[C@@H:201]3O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]3O)[C@H:103](O)[C@H:102]4O)[CH2:2][CH2:1][C@@:10]57[CH2:19][C@@:9]67[CH2:11][CH2:12][C@:13]89[CH3:18]', '[H][C@]8([C@H](C)[C@@H](O)CC=C(C)CO[C@@H]2O[C@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]9(C)[C@]6([H])CC[C@@]5([H])[C@](C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)CC[C@@]57C[C@@]67CC[C@]89C', 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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
(18515, '', '(24R*)-24-methyldammara-25-ene-3-one.', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:17]1([C@@:20]([CH3:21])(O)[CH2:22][CH2:23][C@@H:24]([CH3:24001])[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@:14]4([CH3:30])[C@:13]1([H])[CH2:12][CH2:11][C@:9]3([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][CH2:7][C@:8]34[CH3:18]', '[H][C@]1([C@@](C)(O)CC[C@@H](C)C(=C)C)CC[C@]4(C)[C@]1([H])CC[C@]3([H])[C@@]2(C)CCC(=O)[C@](C)(C)[C@]2([H])CC[C@]34C', '[H][C@:50]1([C@@:77]([CH3:26])(O)[CH2:39][CH2:29][C@@H:42]([CH3:20])[C:150](=[CH2:110])[CH3:19])[CH2:25][CH2:31][C@:51]4([CH3:15])[C@:43]1([H])[CH2:28][CH2:22][C@:50]3([H])[C@@:37]2([CH3:16])[CH2:40][CH2:34][C:218](=O)[C@:48]([CH3:27])([CH3:21])[C@:56]2([H])[CH2:20][CH2:35][C@:40]34[CH3:17]', '37 40 H 18.03 -10.69 H 13.20 -14.90 H 17.01 -9.09 H 14.49 -12.64 C:26 24.90 -9.62 C:27 23.06 -11.26 C:24001 22.99 -7.52 C:28 12.69 -15.78 C:29 11.17 -15.73 C:21 19.21 -7.05 C:19 13.20 -10.89 C:30 17.03 -13.08 C:18 15.75 -10.89 O 9.55 -14.57 O 17.85 -7.31 C:2 10.73 -12.34 C:23 21.15 -9.15 C:1 11.96 -11.60 C:22 20.21 -8.09 C:16 19.21 -10.89 C:12 15.75 -9.46 C:6 14.49 -14.52 C:11 14.49 -10.18 C:15 18.36 -12.02 C:7 15.75 -13.82 C:25 23.50 -9.93 C:3 10.73 -13.82 C:24 22.55 -8.85 C:4 11.96 -14.52 C:17 18.36 -9.75 C:5 13.20 -13.82 C:13 17.01 -10.18 C:9 14.49 -11.60 C:20 18.80 -8.38 C:10 13.20 -12.34 C:14 17.01 -11.60 C:8 15.75 -12.34 30 1 -2 31 2 -2 32 3 -1 33 4 -2 5 26 2 6 26 1 28 7 -1 29 8 -2 29 9 -1 34 10 -2 35 11 -1 36 12 -2 37 13 -1 14 27 2 34 15 -1 16 18 1 16 27 1 17 19 1 17 28 1 18 35 1 19 34 1 20 24 1 20 30 1 21 23 1 21 32 1 22 25 1 22 31 1 23 33 1 24 36 1 25 37 1 26 28 1 27 29 1 29 31 1 30 32 1 30 34 1 31 35 1 32 36 1 33 35 1 33 37 1 36 37 1', '37 40 H 18.03 -10.69 H 13.20 -14.90 H 17.01 -9.09 H 14.49 -12.64 C 24.90 -9.62 C 23.06 -11.26 C 22.99 -7.52 C 12.69 -15.78 C 11.17 -15.73 C 19.21 -7.05 C 13.20 -10.89 C 17.03 -13.08 C 15.75 -10.89 O 9.55 -14.57 O 17.85 -7.31 C 10.73 -12.34 C 21.15 -9.15 C 11.96 -11.60 C 20.21 -8.09 C 19.21 -10.89 C 15.75 -9.46 C 14.49 -14.52 C 14.49 -10.18 C 18.36 -12.02 C 15.75 -13.82 C 23.50 -9.93 C 10.73 -13.82 C 22.55 -8.85 C 11.96 -14.52 C 18.36 -9.75 C 13.20 -13.82 C 17.01 -10.18 C 14.49 -11.60 C 18.80 -8.38 C 13.20 -12.34 C 17.01 -11.60 C 15.75 -12.34 30 1 -2 31 2 -2 32 3 -1 33 4 -2 5 26 2 6 26 1 28 7 -1 29 8 -2 29 9 -1 34 10 -2 35 11 -1 36 12 -2 37 13 -1 14 27 2 34 15 -1 16 18 1 16 27 1 17 19 1 17 28 1 18 35 1 19 34 1 20 24 1 20 30 1 21 23 1 21 32 1 22 25 1 22 31 1 23 33 1 24 36 1 25 37 1 26 28 1 27 29 1 29 31 1 30 32 1 30 34 1 31 35 1 32 36 1 33 35 1 33 37 1 36 37 1', '37 40 H 18.03 -10.69 H 13.20 -14.90 H 17.01 -9.09 H 14.49 -12.64 C:110 24.90 -9.62 C:19 23.06 -11.26 C:20 22.99 -7.52 C:27 12.69 -15.78 C:21 11.17 -15.73 C:26 19.21 -7.05 C:16 13.20 -10.89 C:15 17.03 -13.08 C:17 15.75 -10.89 O 9.55 -14.57 O 17.85 -7.31 C:34 10.73 -12.34 C:29 21.15 -9.15 C:40 11.96 -11.60 C:39 20.21 -8.09 C:25 19.21 -10.89 C:28 15.75 -9.46 C:20 14.49 -14.52 C:22 14.49 -10.18 C:31 18.36 -12.02 C:35 15.75 -13.82 C:150 23.50 -9.93 C:218 10.73 -13.82 C:42 22.55 -8.85 C:48 11.96 -14.52 C:50 18.36 -9.75 C:56 13.20 -13.82 C:43 17.01 -10.18 C:50 14.49 -11.60 C:77 18.80 -8.38 C:37 13.20 -12.34 C:51 17.01 -11.60 C:40 15.75 -12.34 30 1 -2 31 2 -2 32 3 -1 33 4 -2 5 26 2 6 26 1 28 7 -1 29 8 -2 29 9 -1 34 10 -2 35 11 -1 36 12 -2 37 13 -1 14 27 2 34 15 -1 16 18 1 16 27 1 17 19 1 17 28 1 18 35 1 19 34 1 20 24 1 20 30 1 21 23 1 21 32 1 22 25 1 22 31 1 23 33 1 24 36 1 25 37 1 26 28 1 27 29 1 29 31 1 30 32 1 30 34 1 31 35 1 32 36 1 33 35 1 33 37 1 36 37 1', 'C31H52O2', 456.362, 'C', 'mrc06_641_2', 4659, '', '', '1', 47, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(18522, '', '3‚,20S,21-Trihydroxydammar-24-ene 3-O-{[R-L-rhamnopyranosyl(1f2)][‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]48[CH2:6][CH2:7][C@:8]3([CH3:18])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:17]([H])([C@@:20](O)([CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])[CH2:21]O[C@@H:501]1O[C@H:505]([CH2:506]O)[C@@H:504](O)[C@H:503](O)[C@H:502]1O)[CH2:16][CH2:15][C@:14]23[CH3:30])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[CH2:105][C@H:104](O)[C@H:103](O[C@@H:301]5O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]5O)[C@H:102]6O[C@@H:201]7O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]7O)[C@@:4]8([CH3:29])[CH3:28]', '[H][C@@]48CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]([H])([C@@](O)(CCC=C(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]23C)[C@@]4(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@]8(C)C', '[H][C@@:57]48[CH2:19][CH2:36][C@:41]3([CH3:16])[C@:51]([H])([CH2:22][CH2:25][C@:42]2([H])[C@@:46]([H])([C@@:77](O)([CH2:37][CH2:24][CH:126]=[C:131]([CH3:18])[CH3:26])[CH2:77]O[C@@H:106]1O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]1O)[CH2:28][CH2:32][C@:51]23[CH3:17])[C@@:37]4([CH3:17])[CH2:40][CH2:27][C@H:88](O[C@@H:105]6O[CH2:65][C@H:68](O)[C@H:82](O[C@@H:105]5O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]5O)[C@H:75]6O[C@@H:102]7O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:73]7O)[C@@:40]8([CH3:17])[CH3:28]', '78 85 H 18.02 -14.88 H 22.87 -10.67 H 21.86 -9.09 H 19.34 -12.61 C:27 27.92 -11.24 C:26 29.77 -9.60 C:206 9.54 -20.11 C:29 16.01 -15.71 C:28 17.51 -15.76 C:19 18.02 -10.87 C:30 21.88 -13.05 C:18 20.60 -10.87 O 23.01 -2.29 O 8.33 -9.58 O 9.58 -11.65 O 11.94 -21.51 O 14.37 -20.12 O 29.01 -3.48 O 4.71 -14.51 O 27.10 -1.39 O 4.71 -11.69 O 28.15 -6.14 O 14.37 -17.29 O 7.12 -15.88 O 22.69 -7.31 C:24 27.41 -8.85 C:23 25.97 -9.15 C:506 24.37 -2.00 C:306 7.12 -10.27 C:2 15.57 -12.31 C:105 11.90 -11.65 C:22 25.05 -8.08 C:1 16.78 -11.58 C:6 19.34 -14.51 C:16 24.06 -10.87 C:12 20.60 -9.44 C:11 19.34 -10.15 C:7 20.60 -13.80 C:15 23.20 -11.99 C:21 24.06 -7.05 O 13.15 -12.35 O 25.40 -6.75 O 10.74 -18.00 O 24.89 -4.37 O 8.33 -12.38 O 14.37 -14.51 O 9.58 -14.51 O 11.94 -15.91 C:25 28.36 -9.90 C:205 10.74 -19.41 C:104 10.74 -12.35 C:204 11.94 -20.11 C:203 13.15 -19.41 C:503 27.64 -3.77 C:303 5.91 -13.80 C:504 26.68 -2.73 C:304 5.91 -12.38 C:502 27.21 -5.10 C:202 13.15 -18.00 C:302 7.12 -14.51 C:505 25.29 -3.03 C:305 7.12 -11.69 C:501 25.82 -5.40 C:201 11.94 -17.30 C:301 8.33 -13.80 C:101 13.15 -13.77 C:3 15.57 -13.80 C:103 10.74 -13.77 C:102 11.94 -14.51 C:4 16.78 -14.51 C:5 18.02 -13.80 C:17 23.20 -9.72 C:13 21.86 -10.15 C:9 19.34 -11.58 C:20 23.64 -8.37 C:10 18.02 -12.31 C:14 21.86 -11.58 C:8 20.60 -12.31 71 1 -2 72 2 -2 73 3 -1 74 4 -2 5 49 1 6 49 1 50 7 -2 70 8 -1 70 9 -2 76 10 -1 77 11 -2 78 12 -1 13 28 1 14 29 1 51 15 -1 52 16 -1 53 17 -2 54 18 -2 55 19 -1 56 20 -1 57 21 -2 58 22 -1 59 23 -2 60 24 -2 75 25 -1 26 27 1 26 49 2 27 32 1 61 28 -2 62 29 -1 30 33 1 30 67 1 31 41 1 31 51 1 32 75 1 33 76 1 34 38 1 34 71 1 35 39 1 35 72 1 36 37 1 36 73 1 37 74 1 38 78 1 39 77 1 40 42 1 75 40 -2 41 66 1 63 42 -2 43 50 1 43 64 1 44 61 1 44 63 1 45 62 1 45 65 1 66 46 -1 67 46 -1 65 47 -1 68 47 -1 64 48 -1 69 48 -2 50 52 1 51 68 1 52 53 1 53 59 1 54 56 1 54 58 1 55 57 1 55 60 1 56 61 1 57 62 1 58 63 1 59 64 1 60 65 1 66 69 1 67 70 1 68 69 1 70 71 1 71 76 1 72 73 1 72 75 1 73 77 1 74 76 1 74 78 1 77 78 1', '78 85 H 18.02 -14.88 H 22.87 -10.67 H 21.86 -9.09 H 19.34 -12.61 C 27.92 -11.24 C 29.77 -9.60 C 9.54 -20.11 C 16.01 -15.71 C 17.51 -15.76 C 18.02 -10.87 C 21.88 -13.05 C 20.60 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C:57 15.35 -14.23 C:52 20.52 -10.16 C:50 16.64 -12.01 C:83 20.96 -8.79 C:37 15.35 -12.75 C:40 17.90 -12.75 C:52 19.17 -12.01 C:50 19.17 -10.59 74 1 -2 75 2 -2 76 3 -2 81 4 -1 5 72 1 6 72 1 73 7 -2 73 8 -1 77 9 -2 78 10 -1 79 11 -1 80 12 -2 13 30 1 14 31 1 15 42 1 51 16 -1 52 17 -1 53 18 -2 54 19 -1 55 20 -1 56 21 -2 57 22 -2 58 23 -2 59 24 -1 60 25 -2 61 26 -2 62 27 -1 28 29 2 28 32 1 29 72 1 63 30 -1 64 31 -1 32 77 1 33 34 1 33 66 1 34 78 1 35 37 1 35 74 1 36 38 1 36 75 1 37 79 1 38 80 1 39 43 1 39 51 1 40 44 1 65 40 -1 41 52 1 41 76 1 42 72 1 43 67 1 67 44 -2 45 63 1 45 68 1 46 64 1 46 70 1 47 65 1 47 69 1 66 48 -1 70 48 -1 68 49 -1 71 49 -2 69 50 -1 77 50 -1 51 53 1 52 81 1 53 59 1 54 56 1 54 60 1 55 57 1 55 61 1 56 63 1 57 65 1 58 62 1 58 64 1 59 67 1 60 68 1 61 69 1 62 71 1 66 73 1 70 71 1 73 74 1 74 78 1 75 77 1 75 81 1 76 78 1 76 79 1 79 80 1 80 81 1', 'C53H90O24', 1110.58, 'P', 'pm05_880_3', 4664, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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
(18551, 'Hispidol A 25-Me Ether', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@:17]([H])([C@@H:20]([CH3:21])[CH2:22][C@@H:23](O)[C@@H:24](O)[C:25]([CH3:26])([CH3:27])O[CH3:25001])[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH3:29])[C@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@]([H])([C@@H](C)C[C@@H](O)[C@@H](O)C(C)(C)OC)CC[C@]1(C)C2=CC[C@@]4([H])[C@@](C)(C)[C@H](O)CC[C@]34C', '[H][C@:49]23[CH2:18][CH2:34][C@@:44]1([CH3:22])[C@:54]([H])([C@@H:34]([CH3:20])[CH2:43][C@@H:68](O)[C@@H:77](O)[C:79]([CH3:22])([CH3:21])O[CH3:49])[CH2:29][CH2:34][C@:51]1([CH3:27])[C:146]2=[CH:118][CH2:24][C@@:45]4([H])[C@@:38]([CH3:29])([CH3:22])[C@H:75](O)[CH2:26][CH2:32][C@:35]34[CH3:13]', '38 41 H 14.57 -12.52 H 18.09 -10.58 H 13.25 -14.78 C:25001 23.97 -12.20 C:21 17.86 -7.22 C:26 24.89 -9.52 C:27 23.05 -11.15 C:28 12.75 -15.67 C:29 11.23 -15.62 C:30 17.06 -12.96 C:19 13.25 -10.79 C:18 17.06 -8.67 O 20.72 -10.37 O 9.60 -14.43 O 22.98 -7.43 C:7 15.78 -13.70 C:6 14.54 -14.40 C:2 10.78 -12.24 C:11 14.54 -10.08 C:1 12.01 -11.49 C:16 19.20 -10.79 C:15 18.37 -11.92 C:12 15.78 -9.35 C:22 20.21 -8.00 O 24.42 -10.87 C:8 15.78 -12.24 C:20 18.81 -8.30 C:23 21.15 -9.04 C:3 10.78 -13.70 C:24 22.55 -8.76 C:25 23.49 -9.83 C:4 12.01 -14.40 C:9 14.54 -11.49 C:17 18.37 -9.65 C:5 13.25 -13.70 C:14 17.06 -11.49 C:10 13.25 -12.24 C:13 17.06 -10.08 33 1 -2 34 2 -1 35 3 -2 4 25 1 27 5 -1 6 31 1 7 31 1 32 8 -2 32 9 -1 36 10 -1 37 11 -1 38 12 -2 28 13 -2 29 14 -2 30 15 -1 16 17 1 16 26 2 17 35 1 18 20 1 18 29 1 19 23 1 19 33 1 20 37 1 21 22 1 21 34 1 22 36 1 23 38 1 24 27 1 24 28 1 25 31 1 26 33 1 26 36 1 27 34 1 28 30 1 29 32 1 30 31 1 32 35 1 33 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 14.57 -12.52 H 18.09 -10.58 H 13.25 -14.78 C 23.97 -12.20 C 17.86 -7.22 C 24.89 -9.52 C 23.05 -11.15 C 12.75 -15.67 C 11.23 -15.62 C 17.06 -12.96 C 13.25 -10.79 C 17.06 -8.67 O 20.72 -10.37 O 9.60 -14.43 O 22.98 -7.43 C 15.78 -13.70 C 14.54 -14.40 C 10.78 -12.24 C 14.54 -10.08 C 12.01 -11.49 C 19.20 -10.79 C 18.37 -11.92 C 15.78 -9.35 C 20.21 -8.00 O 24.42 -10.87 C 15.78 -12.24 C 18.81 -8.30 C 21.15 -9.04 C 10.78 -13.70 C 22.55 -8.76 C 23.49 -9.83 C 12.01 -14.40 C 14.54 -11.49 C 18.37 -9.65 C 13.25 -13.70 C 17.06 -11.49 C 13.25 -12.24 C 17.06 -10.08 33 1 -2 34 2 -1 35 3 -2 4 25 1 27 5 -1 6 31 1 7 31 1 32 8 -2 32 9 -1 36 10 -1 37 11 -1 38 12 -2 28 13 -2 29 14 -2 30 15 -1 16 17 1 16 26 2 17 35 1 18 20 1 18 29 1 19 23 1 19 33 1 20 37 1 21 22 1 21 34 1 22 36 1 23 38 1 24 27 1 24 28 1 25 31 1 26 33 1 26 36 1 27 34 1 28 30 1 29 32 1 30 31 1 32 35 1 33 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 14.57 -12.52 H 18.09 -10.58 H 13.25 -14.78 C:49 23.97 -12.20 C:20 17.86 -7.22 C:22 24.89 -9.52 C:21 23.05 -11.15 C:29 12.75 -15.67 C:22 11.23 -15.62 C:27 17.06 -12.96 C:13 13.25 -10.79 C:22 17.06 -8.67 O 20.72 -10.37 O 9.60 -14.43 O 22.98 -7.43 C:118 15.78 -13.70 C:24 14.54 -14.40 C:26 10.78 -12.24 C:18 14.54 -10.08 C:32 12.01 -11.49 C:29 19.20 -10.79 C:34 18.37 -11.92 C:34 15.78 -9.35 C:43 20.21 -8.00 O 24.42 -10.87 C:146 15.78 -12.24 C:34 18.81 -8.30 C:68 21.15 -9.04 C:75 10.78 -13.70 C:77 22.55 -8.76 C:79 23.49 -9.83 C:38 12.01 -14.40 C:49 14.54 -11.49 C:54 18.37 -9.65 C:45 13.25 -13.70 C:51 17.06 -11.49 C:35 13.25 -12.24 C:44 17.06 -10.08 33 1 -2 34 2 -1 35 3 -2 4 25 1 27 5 -1 6 31 1 7 31 1 32 8 -2 32 9 -1 36 10 -1 37 11 -1 38 12 -2 28 13 -2 29 14 -2 30 15 -1 16 17 1 16 26 2 17 35 1 18 20 1 18 29 1 19 23 1 19 33 1 20 37 1 21 22 1 21 34 1 22 36 1 23 38 1 24 27 1 24 28 1 25 31 1 26 33 1 26 36 1 27 34 1 28 30 1 29 32 1 30 31 1 32 35 1 33 37 1 34 38 1 35 37 1 36 38 1', 'C31H54O4', 490.353, 'P', 'cpb08_839_3', 4670, '', '', '1', 1, NULL, NULL),
(18552, 'Hispidol B 25-Me Ether', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@:17]([H])([C@@H:20]([CH3:21])[CH2:22][C@@H:23](O)[C@@H:24](O)[C:25]([CH3:27])([CH3:26])O[CH3:25001])[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@]([H])([C@@H](C)C[C@@H](O)[C@@H](O)C(C)(C)OC)CC[C@]1(C)C2=CC[C@@]4([H])[C@](C)(C)[C@@H](O)CC[C@]34C', '[H][C@:49]23[CH2:18][CH2:34][C@@:44]1([CH3:22])[C@:54]([H])([C@@H:35]([CH3:20])[CH2:43][C@@H:68](O)[C@@H:77](O)[C:79]([CH3:21])([CH3:23])O[CH3:49])[CH2:29][CH2:34][C@:51]1([CH3:27])[C:146]2=[CH:118][CH2:24][C@@:51]4([H])[C@:40]([CH3:16])([CH3:28])[C@@H:78](O)[CH2:29][CH2:38][C@:35]34[CH3:13]', '38 41 H 14.57 -12.52 H 18.09 -10.58 H 13.25 -14.78 C:25001 23.97 -12.20 C:21 17.86 -7.22 C:27 23.05 -11.15 C:26 24.89 -9.52 C:29 11.23 -15.62 C:28 12.75 -15.67 C:30 17.06 -12.96 C:19 13.25 -10.79 C:18 17.06 -8.67 O 20.72 -10.37 O 9.60 -14.43 O 22.98 -7.43 C:7 15.78 -13.70 C:6 14.54 -14.40 C:2 10.78 -12.24 C:11 14.54 -10.08 C:1 12.01 -11.49 C:16 19.20 -10.79 C:15 18.37 -11.92 C:12 15.78 -9.35 C:22 20.21 -8.00 O 24.42 -10.87 C:8 15.78 -12.24 C:20 18.81 -8.30 C:23 21.15 -9.04 C:3 10.78 -13.70 C:24 22.55 -8.76 C:25 23.49 -9.83 C:4 12.01 -14.40 C:9 14.54 -11.49 C:17 18.37 -9.65 C:5 13.25 -13.70 C:14 17.06 -11.49 C:10 13.25 -12.24 C:13 17.06 -10.08 33 1 -2 34 2 -1 35 3 -2 4 25 1 27 5 -1 6 31 1 7 31 1 32 8 -1 32 9 -2 36 10 -1 37 11 -1 38 12 -2 28 13 -2 29 14 -1 30 15 -1 16 17 1 16 26 2 17 35 1 18 20 1 18 29 1 19 23 1 19 33 1 20 37 1 21 22 1 21 34 1 22 36 1 23 38 1 24 27 1 24 28 1 25 31 1 26 33 1 26 36 1 27 34 1 28 30 1 29 32 1 30 31 1 32 35 1 33 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 14.57 -12.52 H 18.09 -10.58 H 13.25 -14.78 C 23.97 -12.20 C 17.86 -7.22 C 23.05 -11.15 C 24.89 -9.52 C 11.23 -15.62 C 12.75 -15.67 C 17.06 -12.96 C 13.25 -10.79 C 17.06 -8.67 O 20.72 -10.37 O 9.60 -14.43 O 22.98 -7.43 C 15.78 -13.70 C 14.54 -14.40 C 10.78 -12.24 C 14.54 -10.08 C 12.01 -11.49 C 19.20 -10.79 C 18.37 -11.92 C 15.78 -9.35 C 20.21 -8.00 O 24.42 -10.87 C 15.78 -12.24 C 18.81 -8.30 C 21.15 -9.04 C 10.78 -13.70 C 22.55 -8.76 C 23.49 -9.83 C 12.01 -14.40 C 14.54 -11.49 C 18.37 -9.65 C 13.25 -13.70 C 17.06 -11.49 C 13.25 -12.24 C 17.06 -10.08 33 1 -2 34 2 -1 35 3 -2 4 25 1 27 5 -1 6 31 1 7 31 1 32 8 -1 32 9 -2 36 10 -1 37 11 -1 38 12 -2 28 13 -2 29 14 -1 30 15 -1 16 17 1 16 26 2 17 35 1 18 20 1 18 29 1 19 23 1 19 33 1 20 37 1 21 22 1 21 34 1 22 36 1 23 38 1 24 27 1 24 28 1 25 31 1 26 33 1 26 36 1 27 34 1 28 30 1 29 32 1 30 31 1 32 35 1 33 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 14.57 -12.52 H 18.09 -10.58 H 13.25 -14.78 C:49 23.97 -12.20 C:20 17.86 -7.22 C:21 23.05 -11.15 C:23 24.89 -9.52 C:16 11.23 -15.62 C:28 12.75 -15.67 C:27 17.06 -12.96 C:13 13.25 -10.79 C:22 17.06 -8.67 O 20.72 -10.37 O 9.60 -14.43 O 22.98 -7.43 C:118 15.78 -13.70 C:24 14.54 -14.40 C:29 10.78 -12.24 C:18 14.54 -10.08 C:38 12.01 -11.49 C:29 19.20 -10.79 C:34 18.37 -11.92 C:34 15.78 -9.35 C:43 20.21 -8.00 O 24.42 -10.87 C:146 15.78 -12.24 C:35 18.81 -8.30 C:68 21.15 -9.04 C:78 10.78 -13.70 C:77 22.55 -8.76 C:79 23.49 -9.83 C:40 12.01 -14.40 C:49 14.54 -11.49 C:54 18.37 -9.65 C:51 13.25 -13.70 C:51 17.06 -11.49 C:35 13.25 -12.24 C:44 17.06 -10.08 33 1 -2 34 2 -1 35 3 -2 4 25 1 27 5 -1 6 31 1 7 31 1 32 8 -1 32 9 -2 36 10 -1 37 11 -1 38 12 -2 28 13 -2 29 14 -1 30 15 -1 16 17 1 16 26 2 17 35 1 18 20 1 18 29 1 19 23 1 19 33 1 20 37 1 21 22 1 21 34 1 22 36 1 23 38 1 24 27 1 24 28 1 25 31 1 26 33 1 26 36 1 27 34 1 28 30 1 29 32 1 30 31 1 32 35 1 33 37 1 34 38 1 35 37 1 36 38 1', 'C31H54O4', 490.353, 'P', 'cpb08_839_4', 4670, '', '', '1', 1, NULL, NULL),
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