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
(8542, 'Latifoloside B', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]58[CH2:6][CH2:7][C@@:8]4([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]2([C:28](=O)O[C@@H:301]1O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]1O)[CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[C@@H:19](O)[C@@:18]2([H])[C:13]3=[CH:12][CH2:11][C@:9]4([H])[C@@:10]5([CH3:25])[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@@H:201]7O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]7O)[C@:4]8([CH3:23])[CH3:24]', '[H][C@@]58CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@](C)(C)[C@@H](O)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@]8(C)C', '[H][C@@:56]58[CH2:19][CH2:33][C@@:40]4([CH3:18])[C@:42]3([CH3:25])[CH2:29][CH2:28][C@@:47]2([C:178](=O)O[C@@H:96]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]1O)[CH2:33][CH2:29][C@@:36]([CH3:25])([CH3:29])[C@@H:81](O)[C@@:45]2([H])[C:144]3=[CH:124][CH2:24][C@:48]4([H])[C@@:37]5([CH3:16])[CH2:39][CH2:27][C@H:89](O[C@@H:105]6O[CH2:65][C@H:69](O)[C@H:74](O)[C@H:76]6O[C@@H:102]7O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:72]7O)[C@:40]8([CH3:28])[CH3:17]', '67 74 H 14.32 -12.95 H 15.51 -10.73 H 19.23 -8.77 C:206 3.45 -13.90 C:30 19.58 -4.16 C:29 21.18 -4.17 C:23 13.91 -13.72 C:24 12.16 -13.72 C:27 18.00 -11.11 C:26 16.78 -8.98 C:25 14.32 -8.98 O 21.64 -10.37 O 24.02 -13.14 O 5.83 -9.72 O 3.45 -16.71 O 5.83 -18.11 O 27.72 -8.26 O 27.72 -11.07 O 25.22 -6.88 O 8.22 -16.71 O 5.83 -12.52 O 18.00 -5.54 C:12 16.78 -7.54 C:306 25.22 -12.46 C:2 11.87 -10.43 C:11 15.51 -8.26 C:1 13.08 -9.72 C:21 21.72 -6.14 C:15 19.23 -10.43 C:6 15.51 -12.52 C:7 16.78 -11.83 C:22 21.72 -7.54 C:16 20.44 -9.72 C:105 8.22 -9.72 O 9.44 -10.43 O 22.83 -8.26 O 5.83 -13.90 O 24.02 -10.37 O 10.66 -12.52 O 8.22 -13.90 C:28 21.64 -8.98 C:13 18.00 -8.26 C:205 4.66 -14.60 C:104 7.04 -10.43 C:204 4.66 -16.02 C:203 5.83 -16.71 C:303 26.46 -8.98 C:304 26.46 -10.37 C:302 25.22 -8.26 C:202 7.04 -16.02 C:103 7.04 -11.83 C:305 25.22 -11.11 C:19 19.23 -6.17 C:3 11.87 -11.83 C:301 24.02 -8.98 C:201 7.04 -14.60 C:101 9.44 -11.83 C:102 8.22 -12.52 C:20 20.44 -5.41 C:4 13.08 -12.52 C:14 18.00 -9.72 C:5 14.32 -11.83 C:9 15.51 -9.72 C:18 19.23 -7.54 C:8 16.78 -10.43 C:10 14.32 -10.43 C:17 20.44 -8.26 62 1 -2 63 2 -2 64 3 -1 43 4 -2 59 5 -1 59 6 -2 60 7 -2 60 8 -1 61 9 -2 65 10 -1 66 11 -1 12 41 2 13 24 1 44 14 -1 45 15 -1 46 16 -2 47 17 -1 48 18 -2 49 19 -2 50 20 -2 51 21 -1 53 22 -2 23 26 1 23 42 2 52 24 -1 25 27 1 25 54 1 26 63 1 27 66 1 28 32 1 28 59 1 29 33 1 29 61 1 30 31 1 30 62 1 31 65 1 32 67 1 33 67 1 34 35 1 34 44 1 35 57 1 36 41 1 55 36 -1 37 43 1 37 56 1 38 52 1 38 55 1 54 39 -1 57 39 -1 56 40 -1 58 40 -2 67 41 -1 42 61 1 42 64 1 43 45 1 44 51 1 45 46 1 46 50 1 47 48 1 47 49 1 48 52 1 49 55 1 50 56 1 51 58 1 53 59 1 53 64 1 54 60 1 57 58 1 60 62 1 61 65 1 62 66 1 63 65 1 63 66 1 64 67 1', '67 74 H 14.32 -12.95 H 15.51 -10.73 H 19.23 -8.77 C 3.45 -13.90 C 19.58 -4.16 C 21.18 -4.17 C 13.91 -13.72 C 12.16 -13.72 C 18.00 -11.11 C 16.78 -8.98 C 14.32 -8.98 O 21.64 -10.37 O 24.02 -13.14 O 5.83 -9.72 O 3.45 -16.71 O 5.83 -18.11 O 27.72 -8.26 O 27.72 -11.07 O 25.22 -6.88 O 8.22 -16.71 O 5.83 -12.52 O 18.00 -5.54 C 16.78 -7.54 C 25.22 -12.46 C 11.87 -10.43 C 15.51 -8.26 C 13.08 -9.72 C 21.72 -6.14 C 19.23 -10.43 C 15.51 -12.52 C 16.78 -11.83 C 21.72 -7.54 C 20.44 -9.72 C 8.22 -9.72 O 9.44 -10.43 O 22.83 -8.26 O 5.83 -13.90 O 24.02 -10.37 O 10.66 -12.52 O 8.22 -13.90 C 21.64 -8.98 C 18.00 -8.26 C 4.66 -14.60 C 7.04 -10.43 C 4.66 -16.02 C 5.83 -16.71 C 26.46 -8.98 C 26.46 -10.37 C 25.22 -8.26 C 7.04 -16.02 C 7.04 -11.83 C 25.22 -11.11 C 19.23 -6.17 C 11.87 -11.83 C 24.02 -8.98 C 7.04 -14.60 C 9.44 -11.83 C 8.22 -12.52 C 20.44 -5.41 C 13.08 -12.52 C 18.00 -9.72 C 14.32 -11.83 C 15.51 -9.72 C 19.23 -7.54 C 16.78 -10.43 C 14.32 -10.43 C 20.44 -8.26 62 1 -2 63 2 -2 64 3 -1 43 4 -2 59 5 -1 59 6 -2 60 7 -2 60 8 -1 61 9 -2 65 10 -1 66 11 -1 12 41 2 13 24 1 44 14 -1 45 15 -1 46 16 -2 47 17 -1 48 18 -2 49 19 -2 50 20 -2 51 21 -1 53 22 -2 23 26 1 23 42 2 52 24 -1 25 27 1 25 54 1 26 63 1 27 66 1 28 32 1 28 59 1 29 33 1 29 61 1 30 31 1 30 62 1 31 65 1 32 67 1 33 67 1 34 35 1 34 44 1 35 57 1 36 41 1 55 36 -1 37 43 1 37 56 1 38 52 1 38 55 1 54 39 -1 57 39 -1 56 40 -1 58 40 -2 67 41 -1 42 61 1 42 64 1 43 45 1 44 51 1 45 46 1 46 50 1 47 48 1 47 49 1 48 52 1 49 55 1 50 56 1 51 58 1 53 59 1 53 64 1 54 60 1 57 58 1 60 62 1 61 65 1 62 66 1 63 65 1 63 66 1 64 67 1', '67 74 H 14.32 -12.95 H 15.51 -10.73 H 19.23 -8.77 C:19 3.45 -13.90 C:25 19.58 -4.16 C:29 21.18 -4.17 C:28 13.91 -13.72 C:17 12.16 -13.72 C:25 18.00 -11.11 C:18 16.78 -8.98 C:16 14.32 -8.98 O 21.64 -10.37 O 24.02 -13.14 O 5.83 -9.72 O 3.45 -16.71 O 5.83 -18.11 O 27.72 -8.26 O 27.72 -11.07 O 25.22 -6.88 O 8.22 -16.71 O 5.83 -12.52 O 18.00 -5.54 C:124 16.78 -7.54 C:62 25.22 -12.46 C:27 11.87 -10.43 C:24 15.51 -8.26 C:39 13.08 -9.72 C:29 21.72 -6.14 C:29 19.23 -10.43 C:19 15.51 -12.52 C:33 16.78 -11.83 C:33 21.72 -7.54 C:28 20.44 -9.72 C:65 8.22 -9.72 O 9.44 -10.43 O 22.83 -8.26 O 5.83 -13.90 O 24.02 -10.37 O 10.66 -12.52 O 8.22 -13.90 C:178 21.64 -8.98 C:144 18.00 -8.26 C:70 4.66 -14.60 C:69 7.04 -10.43 C:74 4.66 -16.02 C:73 5.83 -16.71 C:79 26.46 -8.98 C:71 26.46 -10.37 C:74 25.22 -8.26 C:72 7.04 -16.02 C:74 7.04 -11.83 C:79 25.22 -11.11 C:81 19.23 -6.17 C:89 11.87 -11.83 C:96 24.02 -8.98 C:102 7.04 -14.60 C:105 9.44 -11.83 C:76 8.22 -12.52 C:36 20.44 -5.41 C:40 13.08 -12.52 C:42 18.00 -9.72 C:56 14.32 -11.83 C:48 15.51 -9.72 C:45 19.23 -7.54 C:40 16.78 -10.43 C:37 14.32 -10.43 C:47 20.44 -8.26 62 1 -2 63 2 -2 64 3 -1 43 4 -2 59 5 -1 59 6 -2 60 7 -2 60 8 -1 61 9 -2 65 10 -1 66 11 -1 12 41 2 13 24 1 44 14 -1 45 15 -1 46 16 -2 47 17 -1 48 18 -2 49 19 -2 50 20 -2 51 21 -1 53 22 -2 23 26 1 23 42 2 52 24 -1 25 27 1 25 54 1 26 63 1 27 66 1 28 32 1 28 59 1 29 33 1 29 61 1 30 31 1 30 62 1 31 65 1 32 67 1 33 67 1 34 35 1 34 44 1 35 57 1 36 41 1 55 36 -1 37 43 1 37 56 1 38 52 1 38 55 1 54 39 -1 57 39 -1 56 40 -1 58 40 -2 67 41 -1 42 61 1 42 64 1 43 45 1 44 51 1 45 46 1 46 50 1 47 48 1 47 49 1 48 52 1 49 55 1 50 56 1 51 58 1 53 59 1 53 64 1 54 60 1 57 58 1 60 62 1 61 65 1 62 66 1 63 65 1 63 66 1 64 67 1', 'C47H76O17', 912.517, 'P', 'ph45_1501_2', 1731, '', '', '1', 1, NULL, NULL),
(8543, 'Latifoloside C', '3-O-[a-L-rhamnopyranosyl(1-->2)]-[b-D-glucopyranosyl(I-->3)]-a-L-arabinopyranosyl siaresinolic acid 28-O-b-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]59[CH2:6][CH2:7][C@@:8]4([CH3:26])[C@:14]3([CH3:27])[CH2:15][CH2:16][C@@:17]2([C:28](=O)O[C@@H:301]1O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]1O)[CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[C@@H:19](O)[C@@:18]2([H])[C:13]3=[CH:12][CH2:11][C@:9]4([H])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C@@H:101]7O[CH2:105][C@H:104](O)[C@H:103](O[C@@H:401]6O[C@H:405]([CH2:406]O)[C@@H:404](O)[C@H:403](O)[C@H:402]6O)[C@H:102]7O[C@@H:201]8O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]8O)[C@@:4]9([CH3:24])[CH3:23]', '[H][C@@]59CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@](C)(C)[C@@H](O)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@]9(C)C', '[H][C@@:56]59[CH2:19][CH2:33][C@@:40]4([CH3:18])[C@:42]3([CH3:24])[CH2:29][CH2:28][C@@:47]2([C:178](=O)O[C@@H:96]1O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]1O)[CH2:33][CH2:29][C@@:36]([CH3:25])([CH3:29])[C@@H:81](O)[C@@:45]2([H])[C:144]3=[CH:124][CH2:24][C@:48]4([H])[C@@:37]5([CH3:16])[CH2:39][CH2:27][C@H:88](O[C@@H:105]7O[CH2:65][C@H:68](O)[C@H:82](O[C@@H:105]6O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]6O)[C@H:75]7O[C@@H:102]8O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:73]8O)[C@@:40]9([CH3:17])[CH3:28]', '78 86 H 15.55 -12.94 H 16.74 -10.72 H 20.48 -8.76 C:206 4.68 -13.91 C:30 20.83 -4.23 C:29 22.43 -4.17 C:24 13.39 -13.73 C:23 15.14 -13.73 C:27 19.25 -11.10 C:26 18.03 -8.97 C:25 15.55 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-9.72 C:5 15.55 -11.82 C:9 16.74 -9.72 C:18 20.48 -7.54 C:8 18.03 -10.42 C:10 15.55 -10.42 C:17 21.69 -8.25 73 1 -2 74 2 -2 75 3 -1 49 4 -2 70 5 -1 70 6 -2 71 7 -1 71 8 -2 72 9 -2 76 10 -1 77 11 -1 12 47 2 13 27 1 14 28 1 50 15 -1 51 16 -1 52 17 -2 53 18 -1 54 19 -1 55 20 -2 56 21 -2 57 22 -2 58 23 -2 59 24 -2 62 25 -2 26 30 1 26 48 2 60 27 -1 61 28 -1 29 31 1 29 63 1 30 74 1 31 77 1 32 36 1 32 70 1 33 37 1 33 72 1 34 35 1 34 73 1 35 76 1 36 78 1 37 78 1 38 39 1 38 50 1 39 67 1 40 47 1 64 40 -1 41 49 1 41 65 1 42 60 1 42 64 1 43 61 1 43 66 1 63 44 -1 67 44 -1 66 45 -1 68 45 -1 65 46 -1 69 46 -2 78 47 -1 48 72 1 48 75 1 49 51 1 50 68 1 51 52 1 52 58 1 53 55 1 53 57 1 54 56 1 54 59 1 55 60 1 56 61 1 57 64 1 58 65 1 59 66 1 62 70 1 62 75 1 63 71 1 67 69 1 68 69 1 71 73 1 72 76 1 73 77 1 74 76 1 74 77 1 75 78 1', '78 86 H 15.55 -12.94 H 16.74 -10.72 H 20.48 -8.76 C 4.68 -13.91 C 20.83 -4.23 C 22.43 -4.17 C 13.39 -13.73 C 15.14 -13.73 C 19.25 -11.10 C 18.03 -8.97 C 15.55 -8.97 O 22.89 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71 8 -2 72 9 -2 76 10 -1 77 11 -1 12 47 2 13 27 1 14 28 1 50 15 -1 51 16 -1 52 17 -2 53 18 -1 54 19 -1 55 20 -2 56 21 -2 57 22 -2 58 23 -2 59 24 -2 62 25 -2 26 30 1 26 48 2 60 27 -1 61 28 -1 29 31 1 29 63 1 30 74 1 31 77 1 32 36 1 32 70 1 33 37 1 33 72 1 34 35 1 34 73 1 35 76 1 36 78 1 37 78 1 38 39 1 38 50 1 39 67 1 40 47 1 64 40 -1 41 49 1 41 65 1 42 60 1 42 64 1 43 61 1 43 66 1 63 44 -1 67 44 -1 66 45 -1 68 45 -1 65 46 -1 69 46 -2 78 47 -1 48 72 1 48 75 1 49 51 1 50 68 1 51 52 1 52 58 1 53 55 1 53 57 1 54 56 1 54 59 1 55 60 1 56 61 1 57 64 1 58 65 1 59 66 1 62 70 1 62 75 1 63 71 1 67 69 1 68 69 1 71 73 1 72 76 1 73 77 1 74 76 1 74 77 1 75 78 1', '78 86 H 15.55 -12.94 H 16.74 -10.72 H 20.48 -8.76 C:19 4.68 -13.91 C:25 20.83 -4.23 C:29 22.43 -4.17 C:17 13.39 -13.73 C:28 15.14 -13.73 C:24 19.25 -11.10 C:18 18.03 -8.97 C:16 15.55 -8.97 O 22.89 -10.36 O 25.27 -13.14 O 3.47 -7.63 O 7.06 -9.74 O 4.68 -16.72 O 7.06 -18.14 O 28.96 -8.25 O 2.20 -12.50 O 28.96 -11.10 O 2.20 -9.74 O 26.47 -6.88 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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
(8549, 'Sanguic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]34[CH2:11][CH:12]=[C:13]1[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]2([C:28](=O)O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]12[H])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@:5]5([H])[C@:10]4([CH3:25])[CH2:1][C@@H:2](O)[C@@H:3](O)[C@:4]5([CH3:23])[C:24](=O)O', '[H][C@]34CC=C1[C@@](C)(CC[C@@]2(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@]12[H])[C@]3(C)CC[C@]5([H])[C@]4(C)C[C@@H](O)[C@@H](O)[C@]5(C)C(=O)O', '[H][C@:47]34[CH2:24][CH:128]=[C:140]1[C@@:43]([CH3:25])([CH2:29][CH2:27][C@@:49]2([C:181](=O)O)[CH2:39][CH2:27][C@@H:43]([CH3:17])[C@@:73]([CH3:27])(O)[C@@:55]12[H])[C@:41]3([CH3:18])[CH2:34][CH2:21][C@:49]5([H])[C@:39]4([CH3:15])[CH2:44][C@@H:66](O)[C@@H:75](O)[C@:50]5([CH3:25])[C:181](=O)O', '40 44 H 14.35 -12.34 H 13.14 -14.56 H 18.04 -10.40 C:30 19.27 -5.61 C:29 17.32 -6.55 C:27 16.80 -12.72 C:26 15.60 -10.61 C:25 13.14 -10.61 C:23 12.72 -15.33 O 9.58 -15.16 O 20.48 -11.98 O 11.40 -16.67 O 21.69 -9.89 O 9.46 -11.34 O 9.46 -14.13 O 16.64 -7.78 C:12 15.60 -9.17 C:21 20.54 -7.75 C:11 14.35 -9.89 C:22 20.54 -9.17 C:6 14.35 -14.15 C:15 18.04 -12.03 C:7 15.60 -13.44 C:16 19.28 -11.31 C:1 11.89 -11.31 C:24 10.97 -15.35 C:28 20.48 -10.59 C:13 16.80 -9.89 C:20 19.28 -7.02 C:2 10.67 -12.03 C:3 10.67 -13.44 C:19 18.04 -7.75 C:9 14.35 -11.31 C:5 13.14 -13.44 C:14 16.80 -11.31 C:18 18.04 -9.17 C:8 15.60 -12.03 C:10 13.14 -12.03 C:4 11.89 -14.15 C:17 19.28 -9.89 33 1 -2 34 2 -2 36 3 -1 29 4 -2 32 5 -1 35 6 -2 37 7 -1 38 8 -1 39 9 -2 10 26 2 11 27 2 12 26 1 13 27 1 30 14 -2 31 15 -2 32 16 -2 17 19 1 17 28 2 18 20 1 18 29 1 19 33 1 20 40 1 21 23 1 21 34 1 22 24 1 22 35 1 23 37 1 24 40 1 25 30 1 25 38 1 39 26 -1 40 27 -1 28 35 1 28 36 1 29 32 1 30 31 1 31 39 1 32 36 1 33 37 1 33 38 1 34 38 1 34 39 1 35 37 1 36 40 1', '40 44 H 14.35 -12.34 H 13.14 -14.56 H 18.04 -10.40 C 19.27 -5.61 C 17.32 -6.55 C 16.80 -12.72 C 15.60 -10.61 C 13.14 -10.61 C 12.72 -15.33 O 9.58 -15.16 O 20.48 -11.98 O 11.40 -16.67 O 21.69 -9.89 O 9.46 -11.34 O 9.46 -14.13 O 16.64 -7.78 C 15.60 -9.17 C 20.54 -7.75 C 14.35 -9.89 C 20.54 -9.17 C 14.35 -14.15 C 18.04 -12.03 C 15.60 -13.44 C 19.28 -11.31 C 11.89 -11.31 C 10.97 -15.35 C 20.48 -10.59 C 16.80 -9.89 C 19.28 -7.02 C 10.67 -12.03 C 10.67 -13.44 C 18.04 -7.75 C 14.35 -11.31 C 13.14 -13.44 C 16.80 -11.31 C 18.04 -9.17 C 15.60 -12.03 C 13.14 -12.03 C 11.89 -14.15 C 19.28 -9.89 33 1 -2 34 2 -2 36 3 -1 29 4 -2 32 5 -1 35 6 -2 37 7 -1 38 8 -1 39 9 -2 10 26 2 11 27 2 12 26 1 13 27 1 30 14 -2 31 15 -2 32 16 -2 17 19 1 17 28 2 18 20 1 18 29 1 19 33 1 20 40 1 21 23 1 21 34 1 22 24 1 22 35 1 23 37 1 24 40 1 25 30 1 25 38 1 39 26 -1 40 27 -1 28 35 1 28 36 1 29 32 1 30 31 1 31 39 1 32 36 1 33 37 1 33 38 1 34 38 1 34 39 1 35 37 1 36 40 1', '40 44 H 14.35 -12.34 H 13.14 -14.56 H 18.04 -10.40 C:17 19.27 -5.61 C:27 17.32 -6.55 C:25 16.80 -12.72 C:18 15.60 -10.61 C:15 13.14 -10.61 C:25 12.72 -15.33 O 9.58 -15.16 O 20.48 -11.98 O 11.40 -16.67 O 21.69 -9.89 O 9.46 -11.34 O 9.46 -14.13 O 16.64 -7.78 C:128 15.60 -9.17 C:27 20.54 -7.75 C:24 14.35 -9.89 C:39 20.54 -9.17 C:21 14.35 -14.15 C:29 18.04 -12.03 C:34 15.60 -13.44 C:27 19.28 -11.31 C:44 11.89 -11.31 C:181 10.97 -15.35 C:181 20.48 -10.59 C:140 16.80 -9.89 C:43 19.28 -7.02 C:66 10.67 -12.03 C:75 10.67 -13.44 C:73 18.04 -7.75 C:47 14.35 -11.31 C:49 13.14 -13.44 C:43 16.80 -11.31 C:55 18.04 -9.17 C:41 15.60 -12.03 C:39 13.14 -12.03 C:50 11.89 -14.15 C:49 19.28 -9.89 33 1 -2 34 2 -2 36 3 -1 29 4 -2 32 5 -1 35 6 -2 37 7 -1 38 8 -1 39 9 -2 10 26 2 11 27 2 12 26 1 13 27 1 30 14 -2 31 15 -2 32 16 -2 17 19 1 17 28 2 18 20 1 18 29 1 19 33 1 20 40 1 21 23 1 21 34 1 22 24 1 22 35 1 23 37 1 24 40 1 25 30 1 25 38 1 39 26 -1 40 27 -1 28 35 1 28 36 1 29 32 1 30 31 1 31 39 1 32 36 1 33 37 1 33 38 1 34 38 1 34 39 1 35 37 1 36 40 1', 'C30H46O7', 518.341, 'P', 'tt04_11647_1c', 1340, '', '', '1', 1, NULL, NULL),
(8550, 'Sanguidioside B', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:109]45[CH2:111][CH:112]=[C:113]3[CH:118]1[C@:119]([CH3:129])(O)[C@H:120]([CH3:130])[CH2:121][CH2:122][C@:117]1([C:128](=O)O[C@@H:128001]2O[C@H:128005]([CH2:128006]O)[C@@H:128004](O)[C@H:128003](O)[C@H:128002]2O)[CH2:116][CH2:115][C@@:114]3([CH3:127])[C@:108]4([CH3:126])[CH2:107][CH2:106][C@:105]%12([H])[C@:110]5([CH3:125])[CH2:101][C@@H:102](O)[C@@H:103](O[C:24](=O)[C@@:4]%11([CH3:23])[C@H:3](O)[C@H:2](O)[CH2:1][C@:10]%10([CH3:25])[C@@:9]9([H])[CH2:11][CH:12]=[C:13]7[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]8([C:28](=O)O[C@@H:28001]6O[C@H:28005]([CH2:28006]O)[C@@H:28004](O)[C@H:28003](O)[C@H:28002]6O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(O)[C@@:18]78[H])[C@:8]9([CH3:26])[CH2:7][CH2:6][C@:5]%10%11[H])[C@:104]%12([CH3:123])[C:124](=O)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
(8555, 'Sanguidioside D', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:109]45[CH2:111][CH:112]=[C:113]3[CH:118]1[C@H:119](O)[C@@:120]([CH3:129])([CH3:130])[CH2:121][CH2:122][C@:117]1([C:128](=O)O[C@@H:128001]2O[C@H:128005]([CH2:128006]O)[C@@H:128004](O)[C@H:128003](O)[C@H:128002]2O)[CH2:116][CH2:115][C@@:114]3([CH3:127])[C@:108]4([CH3:126])[CH2:107][CH2:106][C@:105]%12([H])[C@:110]5([CH3:125])[CH2:101][C@@H:102](O)[C@@H:103](O[C:23](=O)[C@:4]%11([CH3:24])[C@@H:3](O)[C@H:2](O)[CH2:1][C@:10]%10([CH3:25])[C@@:9]9([H])[CH2:11][CH:12]=[C:13]7[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]8([C:28](=O)O[C@@H:28001]6O[C@H:28005]([CH2:28006]O)[C@@H:28004](O)[C@H:28003](O)[C@H:28002]6O)[CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[C@@H:19](O)[C@@:18]78[H])[C@:8]9([CH3:26])[CH2:7][CH2:6][C@:5]%10%11[H])[C@:104]%12([CH2:123]O)[C:124](=O)O', '[H][C@]45CC=C3C1[C@H](O)[C@@](C)(C)CC[C@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]3(C)[C@]4(C)CC[C@]%12([H])[C@]5(C)C[C@@H](O)[C@@H](OC(=O)[C@]%11(C)[C@@H](O)[C@H](O)C[C@]%10(C)[C@@]9([H])CC=C7[C@@](C)(CC[C@@]8(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@](C)(C)[C@@H](O)[C@@]78[H])[C@]9(C)CC[C@]%10%11[H])[C@]%12(CO)C(=O)O', 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-5.71 C 18.95 -11.88 C 16.61 -3.75 C 16.61 -15.97 C 14.30 -7.78 C 10.82 -9.78 C 13.07 -18.02 C 12.02 -9.10 C 14.24 -17.34 C 18.95 -13.25 C 17.78 -15.30 C 16.61 -5.06 C 15.41 -7.11 C 8.53 -7.11 C 10.71 -15.29 O 20.13 -13.93 O 17.69 -5.71 O 8.29 -18.05 O 21.36 -16.01 O 18.81 -7.73 C 10.00 -19.24 C 9.33 -10.86 C 18.95 -14.61 C 16.61 -6.40 C 15.41 -13.93 C 13.18 -5.71 C 7.39 -7.78 C 9.50 -15.99 C 23.77 -14.60 C 21.10 -6.40 C 23.77 -16.00 C 21.10 -7.73 C 22.57 -13.93 C 19.92 -5.71 C 7.39 -9.10 C 16.61 -11.88 C 22.57 -16.70 C 19.92 -8.39 C 14.30 -3.75 C 21.36 -14.61 C 18.81 -6.40 C 9.50 -17.38 C 16.61 -13.25 C 17.78 -11.19 C 15.41 -3.08 C 15.41 -15.30 C 13.18 -7.11 C 13.07 -15.30 C 10.82 -7.11 C 9.72 -9.10 C 11.88 -17.35 C 14.30 -5.06 C 14.24 -15.97 C 12.02 -7.78 C 9.72 -7.78 C 11.88 -15.96 C 8.53 -9.78 C 17.78 -13.93 C 15.41 -5.71 C 10.71 -18.05 89 1 -2 90 2 -2 91 3 -2 92 4 -2 93 5 -1 85 6 -2 85 7 -1 86 8 -1 86 9 -2 87 10 -2 88 11 -2 94 12 -1 95 13 -1 96 14 -1 97 15 -1 98 16 -1 17 62 2 18 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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
(8561, 'Haliclotriol A', '', 'Terpenoids', 'Merotriterpenoids', 'Ketides', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]1([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@@:13]4([CH3:27])[C@@:14]1([H])[CH2:15][CH2:16][C@:17]3([CH3:28])[c:206]2[c:205]([CH:207](O)[C:208](=O)O)[cH:204][cH:203][c:202](O)[c:201]2[CH2:19][C@:18]34[H])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:23])([CH2:24][CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])O6', '[H][C@@]56CC[C@]1(C)[C@]([H])(CC[C@@]4(C)[C@@]1([H])CC[C@]3(C)c2c(C(O)C(=O)O)ccc(O)c2C[C@]34[H])[C@@]5(C)CC[C@@H](O)[C@](C)(CCC=C(C)C)O6', '[H][C@@:78]56[CH2:28][CH2:40][C@:38]1([CH3:17])[C@:59]([H])([CH2:20][CH2:43][C@@:38]4([CH3:18])[C@@:62]1([H])[CH2:19][CH2:40][C@:50]3([CH3:22])[c:155]2[c:126]([CH:69](O)[C:177](=O)O)[cH:127][cH:114][c:154](O)[c:129]2[CH2:25][C@:65]34[H])[C@@:42]5([CH3:14])[CH2:37][CH2:27][C@@H:76](O)[C@:81]([CH3:19])([CH2:42][CH2:24][CH:126]=[C:132]([CH3:18])[CH3:26])O6', '48 53 H 14.08 -15.34 H 15.34 -13.15 H 17.86 -13.35 H 19.12 -11.05 C:105 7.04 -12.72 C:104 5.49 -14.59 C:23 11.76 -16.33 C:28 20.43 -9.31 C:25 14.08 -11.52 C:26 16.61 -11.52 C:27 17.86 -9.31 O 25.67 -10.17 O 25.41 -12.58 O 21.16 -5.99 O 9.57 -13.64 O 22.62 -12.28 C:102 7.90 -15.00 C:203 23.15 -7.42 C:204 23.73 -8.73 C:101 9.21 -14.52 C:2 11.59 -12.39 C:24 10.29 -15.42 C:6 15.34 -15.13 C:1 12.97 -12.07 C:15 19.12 -12.92 C:11 15.34 -10.73 C:16 20.43 -12.20 C:7 16.61 -14.41 C:12 16.61 -9.98 C:19 19.45 -8.59 O 12.97 -15.26 C:103 6.81 -14.10 C:208 24.85 -11.30 C:202 21.73 -7.28 C:205 22.89 -9.87 C:201 20.89 -8.42 C:206 21.48 -9.74 C:3 10.97 -13.64 C:207 23.45 -11.15 C:5 14.08 -14.41 C:4 11.59 -14.95 C:9 15.34 -12.20 C:14 17.86 -12.20 C:18 19.12 -9.98 C:17 20.43 -10.73 C:10 14.08 -12.92 C:8 16.61 -12.92 C:13 17.86 -10.73 40 1 -2 42 2 -2 43 3 -2 44 4 -1 5 32 1 6 32 1 41 7 -2 45 8 -2 46 9 -1 47 10 -1 48 11 -1 12 33 2 13 33 1 14 34 1 38 15 -2 16 39 1 17 20 1 17 32 2 18 19 1 18 34 2 19 35 2 20 22 1 21 24 1 21 38 1 41 22 -1 23 28 1 23 40 1 24 46 1 25 27 1 25 43 1 26 29 1 26 42 1 27 45 1 28 47 1 29 48 1 30 36 1 30 44 1 31 40 1 31 41 1 33 39 1 34 36 1 35 37 1 35 39 1 36 37 2 37 45 1 38 41 1 40 46 1 42 46 1 42 47 1 43 47 1 43 48 1 44 45 1 44 48 1', '48 53 H 14.08 -15.34 H 15.34 -13.15 H 17.86 -13.35 H 19.12 -11.05 C 7.04 -12.72 C 5.49 -14.59 C 11.76 -16.33 C 20.43 -9.31 C 14.08 -11.52 C 16.61 -11.52 C 17.86 -9.31 O 25.67 -10.17 O 25.41 -12.58 O 21.16 -5.99 O 9.57 -13.64 O 22.62 -12.28 C 7.90 -15.00 C 23.15 -7.42 C 23.73 -8.73 C 9.21 -14.52 C 11.59 -12.39 C 10.29 -15.42 C 15.34 -15.13 C 12.97 -12.07 C 19.12 -12.92 C 15.34 -10.73 C 20.43 -12.20 C 16.61 -14.41 C 16.61 -9.98 C 19.45 -8.59 O 12.97 -15.26 C 6.81 -14.10 C 24.85 -11.30 C 21.73 -7.28 C 22.89 -9.87 C 20.89 -8.42 C 21.48 -9.74 C 10.97 -13.64 C 23.45 -11.15 C 14.08 -14.41 C 11.59 -14.95 C 15.34 -12.20 C 17.86 -12.20 C 19.12 -9.98 C 20.43 -10.73 C 14.08 -12.92 C 16.61 -12.92 C 17.86 -10.73 40 1 -2 42 2 -2 43 3 -2 44 4 -1 5 32 1 6 32 1 41 7 -2 45 8 -2 46 9 -1 47 10 -1 48 11 -1 12 33 2 13 33 1 14 34 1 38 15 -2 16 39 1 17 20 1 17 32 2 18 19 1 18 34 2 19 35 2 20 22 1 21 24 1 21 38 1 41 22 -1 23 28 1 23 40 1 24 46 1 25 27 1 25 43 1 26 29 1 26 42 1 27 45 1 28 47 1 29 48 1 30 36 1 30 44 1 31 40 1 31 41 1 33 39 1 34 36 1 35 37 1 35 39 1 36 37 2 37 45 1 38 41 1 40 46 1 42 46 1 42 47 1 43 47 1 43 48 1 44 45 1 44 48 1', '48 53 H 14.08 -15.34 H 15.34 -13.15 H 17.86 -13.35 H 19.12 -11.05 C:18 7.04 -12.72 C:26 5.49 -14.59 C:19 11.76 -16.33 C:22 20.43 -9.31 C:14 14.08 -11.52 C:17 16.61 -11.52 C:18 17.86 -9.31 O 25.67 -10.17 O 25.41 -12.58 O 21.16 -5.99 O 9.57 -13.64 O 22.62 -12.28 C:126 7.90 -15.00 C:114 23.15 -7.42 C:127 23.73 -8.73 C:24 9.21 -14.52 C:27 11.59 -12.39 C:42 10.29 -15.42 C:28 15.34 -15.13 C:37 12.97 -12.07 C:19 19.12 -12.92 C:20 15.34 -10.73 C:40 20.43 -12.20 C:40 16.61 -14.41 C:43 16.61 -9.98 C:25 19.45 -8.59 O 12.97 -15.26 C:132 6.81 -14.10 C:177 24.85 -11.30 C:154 21.73 -7.28 C:126 22.89 -9.87 C:129 20.89 -8.42 C:155 21.48 -9.74 C:76 10.97 -13.64 C:69 23.45 -11.15 C:78 14.08 -14.41 C:81 11.59 -14.95 C:59 15.34 -12.20 C:62 17.86 -12.20 C:65 19.12 -9.98 C:50 20.43 -10.73 C:42 14.08 -12.92 C:38 16.61 -12.92 C:38 17.86 -10.73 40 1 -2 42 2 -2 43 3 -2 44 4 -1 5 32 1 6 32 1 41 7 -2 45 8 -2 46 9 -1 47 10 -1 48 11 -1 12 33 2 13 33 1 14 34 1 38 15 -2 16 39 1 17 20 1 17 32 2 18 19 1 18 34 2 19 35 2 20 22 1 21 24 1 21 38 1 41 22 -1 23 28 1 23 40 1 24 46 1 25 27 1 25 43 1 26 29 1 26 42 1 27 45 1 28 47 1 29 48 1 30 36 1 30 44 1 31 40 1 31 41 1 33 39 1 34 36 1 35 37 1 35 39 1 36 37 2 37 45 1 38 41 1 40 46 1 42 46 1 42 47 1 43 47 1 43 48 1 44 45 1 44 48 1', 'C38H56O6', 608.435, 'M', 'tt00_9039_1', 427, '', '', '1', 1, NULL, NULL),
(8562, 'Haliclotriol B', '', 'Terpenoids', 'Merotriterpenoids', 'Ketides', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]4([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]3([CH3:27])[C@:18]2([H])[CH2:19][c:201]1[c:202](O)[cH:203][cH:204][c:205](O)[c:206]1[C@@:17]2([CH3:28])[CH2:16][CH2:15][C@:14]34[H])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:23])([CH2:24][CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])O6', '[H][C@@]56CC[C@]4(C)[C@]([H])(CC[C@]3(C)[C@]2([H])Cc1c(O)ccc(O)c1[C@@]2(C)CC[C@]34[H])[C@@]5(C)CC[C@@H](O)[C@](C)(CCC=C(C)C)O6', '[H][C@@:78]56[CH2:28][CH2:40][C@:38]4([CH3:17])[C@:59]([H])([CH2:19][CH2:43][C@:38]3([CH3:18])[C@:66]2([H])[CH2:26][c:130]1[c:147](O)[cH:114][cH:121][c:142](O)[c:151]1[C@@:50]2([CH3:21])[CH2:39][CH2:19][C@:63]34[H])[C@@:42]5([CH3:14])[CH2:37][CH2:27][C@@H:76](O)[C@:81]([CH3:19])([CH2:42][CH2:24][CH:126]=[C:132]([CH3:18])[CH3:26])O6', '44 49 H 15.03 -15.34 H 20.07 -11.05 H 16.29 -13.15 H 18.81 -13.35 C:105 7.99 -12.72 C:104 6.44 -14.59 C:23 12.71 -16.33 C:28 21.38 -9.31 C:25 15.03 -11.52 C:27 18.81 -9.31 C:26 17.56 -11.52 O 22.11 -5.99 O 24.40 -11.15 O 10.52 -13.64 C:102 8.85 -15.00 C:203 24.10 -7.42 C:204 24.68 -8.73 C:101 10.16 -14.52 C:2 12.54 -12.39 C:24 11.24 -15.42 C:6 16.29 -15.13 C:1 13.92 -12.07 C:15 20.07 -12.92 C:11 16.29 -10.73 C:16 21.38 -12.20 C:7 17.56 -14.41 C:12 17.56 -9.98 C:19 20.40 -8.59 O 13.92 -15.26 C:103 7.76 -14.10 C:202 22.68 -7.28 C:205 23.84 -9.87 C:201 21.84 -8.42 C:206 22.43 -9.74 C:3 11.92 -13.64 C:5 15.03 -14.41 C:4 12.54 -14.95 C:18 20.07 -9.98 C:9 16.29 -12.20 C:14 18.81 -12.20 C:17 21.38 -10.73 C:10 15.03 -12.92 C:13 18.81 -10.73 C:8 17.56 -12.92 36 1 -2 38 2 -1 39 3 -2 40 4 -2 5 30 1 6 30 1 37 7 -2 41 8 -2 42 9 -1 43 10 -1 44 11 -1 12 31 1 13 32 1 35 14 -2 15 18 1 15 30 2 16 17 1 16 31 2 17 32 2 18 20 1 19 22 1 19 35 1 37 20 -1 21 26 1 21 36 1 22 42 1 23 25 1 23 40 1 24 27 1 24 39 1 25 41 1 26 44 1 27 43 1 28 33 1 28 38 1 29 36 1 29 37 1 31 33 1 32 34 1 33 34 2 34 41 1 35 37 1 36 42 1 38 41 1 38 43 1 39 42 1 39 44 1 40 43 1 40 44 1', '44 49 H 15.03 -15.34 H 20.07 -11.05 H 16.29 -13.15 H 18.81 -13.35 C 7.99 -12.72 C 6.44 -14.59 C 12.71 -16.33 C 21.38 -9.31 C 15.03 -11.52 C 18.81 -9.31 C 17.56 -11.52 O 22.11 -5.99 O 24.40 -11.15 O 10.52 -13.64 C 8.85 -15.00 C 24.10 -7.42 C 24.68 -8.73 C 10.16 -14.52 C 12.54 -12.39 C 11.24 -15.42 C 16.29 -15.13 C 13.92 -12.07 C 20.07 -12.92 C 16.29 -10.73 C 21.38 -12.20 C 17.56 -14.41 C 17.56 -9.98 C 20.40 -8.59 O 13.92 -15.26 C 7.76 -14.10 C 22.68 -7.28 C 23.84 -9.87 C 21.84 -8.42 C 22.43 -9.74 C 11.92 -13.64 C 15.03 -14.41 C 12.54 -14.95 C 20.07 -9.98 C 16.29 -12.20 C 18.81 -12.20 C 21.38 -10.73 C 15.03 -12.92 C 18.81 -10.73 C 17.56 -12.92 36 1 -2 38 2 -1 39 3 -2 40 4 -2 5 30 1 6 30 1 37 7 -2 41 8 -2 42 9 -1 43 10 -1 44 11 -1 12 31 1 13 32 1 35 14 -2 15 18 1 15 30 2 16 17 1 16 31 2 17 32 2 18 20 1 19 22 1 19 35 1 37 20 -1 21 26 1 21 36 1 22 42 1 23 25 1 23 40 1 24 27 1 24 39 1 25 41 1 26 44 1 27 43 1 28 33 1 28 38 1 29 36 1 29 37 1 31 33 1 32 34 1 33 34 2 34 41 1 35 37 1 36 42 1 38 41 1 38 43 1 39 42 1 39 44 1 40 43 1 40 44 1', '44 49 H 15.03 -15.34 H 20.07 -11.05 H 16.29 -13.15 H 18.81 -13.35 C:18 7.99 -12.72 C:26 6.44 -14.59 C:19 12.71 -16.33 C:21 21.38 -9.31 C:14 15.03 -11.52 C:18 18.81 -9.31 C:17 17.56 -11.52 O 22.11 -5.99 O 24.40 -11.15 O 10.52 -13.64 C:126 8.85 -15.00 C:114 24.10 -7.42 C:121 24.68 -8.73 C:24 10.16 -14.52 C:27 12.54 -12.39 C:42 11.24 -15.42 C:28 16.29 -15.13 C:37 13.92 -12.07 C:19 20.07 -12.92 C:19 16.29 -10.73 C:39 21.38 -12.20 C:40 17.56 -14.41 C:43 17.56 -9.98 C:26 20.40 -8.59 O 13.92 -15.26 C:132 7.76 -14.10 C:147 22.68 -7.28 C:142 23.84 -9.87 C:130 21.84 -8.42 C:151 22.43 -9.74 C:76 11.92 -13.64 C:78 15.03 -14.41 C:81 12.54 -14.95 C:66 20.07 -9.98 C:59 16.29 -12.20 C:63 18.81 -12.20 C:50 21.38 -10.73 C:42 15.03 -12.92 C:38 18.81 -10.73 C:38 17.56 -12.92 36 1 -2 38 2 -1 39 3 -2 40 4 -2 5 30 1 6 30 1 37 7 -2 41 8 -2 42 9 -1 43 10 -1 44 11 -1 12 31 1 13 32 1 35 14 -2 15 18 1 15 30 2 16 17 1 16 31 2 17 32 2 18 20 1 19 22 1 19 35 1 37 20 -1 21 26 1 21 36 1 22 42 1 23 25 1 23 40 1 24 27 1 24 39 1 25 41 1 26 44 1 27 43 1 28 33 1 28 38 1 29 36 1 29 37 1 31 33 1 32 34 1 33 34 2 34 41 1 35 37 1 36 42 1 38 41 1 38 43 1 39 42 1 39 44 1 40 43 1 40 44 1', 'C36H54O4', 550.415, 'M', 'tt00_9039_3', 427, '', '', '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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(8595, ' Armatin-A', '', 'Terpenoids', 'Sesquiterpenoids', 'Nardosinanes', '[H][C@@:7]23[CH2:8][CH2:9][C:10]1=[CH:1][C@@H:2](O)[CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@@:6]2([H])[C@H:11]([CH3:13])[C@@H:12](O)O3', '[H][C@@]23CCC1=C[C@@H](O)C[C@H](C)[C@@]1(C)[C@@]2([H])[C@H](C)[C@@H](O)O3', '[H][C@@:76]23[CH2:30][CH2:27][C:148]1=[CH:123][C@@H:64](O)[CH2:38][C@H:26]([CH3:19])[C@@:40]1([CH3:20])[C@@:60]2([H])[C@H:44]([CH3:19])[C@@H:107](O)O3', '20 22 H 18.17 -11.44 H 16.93 -10.21 C:15 14.41 -12.65 C:13 16.28 -13.67 C:14 15.64 -11.92 O 11.94 -8.32 O 19.36 -13.95 C:1 14.41 -8.29 C:9 16.93 -8.29 C:8 18.17 -9.01 C:3 13.13 -10.47 O 19.23 -11.42 C:10 15.64 -9.01 C:2 13.13 -9.01 C:4 14.41 -11.19 C:12 18.66 -12.74 C:11 17.24 -12.59 C:7 18.17 -10.47 C:6 16.93 -11.19 C:5 15.64 -10.47 18 1 -2 19 2 -1 15 3 -1 17 4 -1 20 5 -1 14 6 -2 16 7 -2 8 13 2 8 14 1 9 10 1 9 13 1 10 18 1 11 14 1 11 15 1 12 16 1 12 18 1 13 20 1 15 20 1 16 17 1 17 19 1 18 19 1 19 20 1', '20 22 H 18.17 -11.44 H 16.93 -10.21 C 14.41 -12.65 C 16.28 -13.67 C 15.64 -11.92 O 11.94 -8.32 O 19.36 -13.95 C 14.41 -8.29 C 16.93 -8.29 C 18.17 -9.01 C 13.13 -10.47 O 19.23 -11.42 C 15.64 -9.01 C 13.13 -9.01 C 14.41 -11.19 C 18.66 -12.74 C 17.24 -12.59 C 18.17 -10.47 C 16.93 -11.19 C 15.64 -10.47 18 1 -2 19 2 -1 15 3 -1 17 4 -1 20 5 -1 14 6 -2 16 7 -2 8 13 2 8 14 1 9 10 1 9 13 1 10 18 1 11 14 1 11 15 1 12 16 1 12 18 1 13 20 1 15 20 1 16 17 1 17 19 1 18 19 1 19 20 1', '20 22 H 18.17 -11.44 H 16.93 -10.21 C:19 14.41 -12.65 C:19 16.28 -13.67 C:20 15.64 -11.92 O 11.94 -8.32 O 19.36 -13.95 C:123 14.41 -8.29 C:27 16.93 -8.29 C:30 18.17 -9.01 C:38 13.13 -10.47 O 19.23 -11.42 C:148 15.64 -9.01 C:64 13.13 -9.01 C:26 14.41 -11.19 C:107 18.66 -12.74 C:44 17.24 -12.59 C:76 18.17 -10.47 C:60 16.93 -11.19 C:40 15.64 -10.47 18 1 -2 19 2 -1 15 3 -1 17 4 -1 20 5 -1 14 6 -2 16 7 -2 8 13 2 8 14 1 9 10 1 9 13 1 10 18 1 11 14 1 11 15 1 12 16 1 12 18 1 13 20 1 15 20 1 16 17 1 17 19 1 18 19 1 19 20 1', 'C15H24O3', 252.175, 'C', 'np04_1455_1', 577, '', '', '1', 11, NULL, NULL),
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(8597, ' Armatins-C', '', 'Terpenoids', 'Sesquiterpenoids', 'Nardosinanes', '[H][C@@:7]23[CH2:8][CH2:9][C:10]1=[CH:1][C@@H:2](O)[CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@@:6]2([H])[C@H:11]([CH3:13])[C@@H:12](O[CH3:12001])O3', '[H][C@@]23CCC1=C[C@@H](O)C[C@H](C)[C@@]1(C)[C@@]2([H])[C@H](C)[C@@H](OC)O3', '[H][C@@:76]23[CH2:30][CH2:28][C:149]1=[CH:123][C@@H:64](O)[CH2:38][C@H:26]([CH3:19])[C@@:40]1([CH3:20])[C@@:60]2([H])[C@H:43]([CH3:19])[C@@H:114](O[CH3:9999])O3', '21 23 H 18.12 -10.88 H 16.89 -9.64 C:12001 18.60 -14.59 C:15 14.36 -12.09 C:13 16.24 -13.10 C:14 15.61 -11.36 O 11.88 -7.72 C:1 14.36 -7.72 C:9 16.89 -7.72 C:8 18.12 -8.44 C:3 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C:10 15.61 -8.44 C:2 13.09 -8.44 C:4 14.36 -10.63 C:11 17.20 -12.03 C:12 18.60 -12.17 C:7 18.12 -9.91 C:6 16.89 -10.63 C:5 15.61 -9.91 19 1 -2 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 15 7 -2 8 14 2 8 15 1 9 10 1 9 14 1 10 19 1 11 15 1 11 16 1 18 12 -2 13 18 1 13 19 1 14 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', '21 23 H 18.12 -10.88 H 16.89 -9.64 C 18.60 -14.59 C 14.36 -12.09 C 16.24 -13.10 C 15.61 -11.36 O 11.88 -7.72 C 14.36 -7.72 C 16.89 -7.72 C 18.12 -8.44 C 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C 15.61 -8.44 C 13.09 -8.44 C 14.36 -10.63 C 17.20 -12.03 C 18.60 -12.17 C 18.12 -9.91 C 16.89 -10.63 C 15.61 -9.91 19 1 -2 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 15 7 -2 8 14 2 8 15 1 9 10 1 9 14 1 10 19 1 11 15 1 11 16 1 18 12 -2 13 18 1 13 19 1 14 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', '21 23 H 18.12 -10.88 H 16.89 -9.64 C 18.60 -14.59 C:19 14.36 -12.09 C:19 16.24 -13.10 C:20 15.61 -11.36 O 11.88 -7.72 C:123 14.36 -7.72 C:28 16.89 -7.72 C:30 18.12 -8.44 C:38 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C:149 15.61 -8.44 C:64 13.09 -8.44 C:26 14.36 -10.63 C:43 17.20 -12.03 C:114 18.60 -12.17 C:76 18.12 -9.91 C:60 16.89 -10.63 C:40 15.61 -9.91 19 1 -2 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 15 7 -2 8 14 2 8 15 1 9 10 1 9 14 1 10 19 1 11 15 1 11 16 1 18 12 -2 13 18 1 13 19 1 14 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', 'C16H26O3', 266.185, 'C', 'np04_1455_3', 577, '', '', '1', 11, NULL, NULL),
(8598, ' Armatins-D', '', 'Terpenoids', 'Sesquiterpenoids', 'Nardosinanes', '[H][C@:7]23[CH2:8][CH2:9][C:10]1=[CH:1][C@@H:2](O)[CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@@:6]2([H])[C@H:11]([CH3:13])[C@H:12](O[CH3:12001])O3', '[H][C@]23CCC1=C[C@@H](O)C[C@H](C)[C@@]1(C)[C@@]2([H])[C@H](C)[C@H](OC)O3', '[H][C@:79]23[CH2:32][CH2:28][C:150]1=[CH:123][C@@H:64](O)[CH2:38][C@H:26]([CH3:18])[C@@:41]1([CH3:19])[C@@:55]2([H])[C@H:41]([CH3:14])[C@H:109](O[CH3:9999])O3', '21 23 H 18.12 -10.88 H 16.89 -9.64 C:12001 18.60 -14.59 C:15 14.36 -12.09 C:13 16.24 -13.10 C:14 15.61 -11.36 O 11.88 -7.72 C:1 14.36 -7.72 C:9 16.89 -7.72 C:8 18.12 -8.44 C:3 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C:10 15.61 -8.44 C:2 13.09 -8.44 C:4 14.36 -10.63 C:11 17.20 -12.03 C:12 18.60 -12.17 C:7 18.12 -9.91 C:6 16.89 -10.63 C:5 15.61 -9.91 19 1 -1 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 15 7 -2 8 14 2 8 15 1 9 10 1 9 14 1 10 19 1 11 15 1 11 16 1 18 12 -1 13 18 1 13 19 1 14 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', '21 23 H 18.12 -10.88 H 16.89 -9.64 C 18.60 -14.59 C 14.36 -12.09 C 16.24 -13.10 C 15.61 -11.36 O 11.88 -7.72 C 14.36 -7.72 C 16.89 -7.72 C 18.12 -8.44 C 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C 15.61 -8.44 C 13.09 -8.44 C 14.36 -10.63 C 17.20 -12.03 C 18.60 -12.17 C 18.12 -9.91 C 16.89 -10.63 C 15.61 -9.91 19 1 -1 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 15 7 -2 8 14 2 8 15 1 9 10 1 9 14 1 10 19 1 11 15 1 11 16 1 18 12 -1 13 18 1 13 19 1 14 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', '21 23 H 18.12 -10.88 H 16.89 -9.64 C 18.60 -14.59 C:18 14.36 -12.09 C:14 16.24 -13.10 C:19 15.61 -11.36 O 11.88 -7.72 C:123 14.36 -7.72 C:28 16.89 -7.72 C:32 18.12 -8.44 C:38 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C:150 15.61 -8.44 C:64 13.09 -8.44 C:26 14.36 -10.63 C:41 17.20 -12.03 C:109 18.60 -12.17 C:79 18.12 -9.91 C:55 16.89 -10.63 C:41 15.61 -9.91 19 1 -1 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 15 7 -2 8 14 2 8 15 1 9 10 1 9 14 1 10 19 1 11 15 1 11 16 1 18 12 -1 13 18 1 13 19 1 14 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', 'C16H26O3', 266.185, 'C', 'np04_1455_4', 577, '', '', '1', 11, 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
(8599, ' Armatins-E', '', 'Terpenoids', 'Sesquiterpenoids', 'Nardosinanes', '[H][C@:7]23[CH2:8][CH2:9][C:10]1=[CH:1][C:2](=O)[CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@@:6]2([H])[C@H:11]([CH3:13])[C@H:12](O[CH3:12001])O3', '[H][C@]23CCC1=CC(=O)C[C@H](C)[C@@]1(C)[C@@]2([H])[C@H](C)[C@H](OC)O3', '[H][C@:78]23[CH2:31][CH2:29][C:173]1=[CH:126][C:197](=O)[CH2:44][C@H:33]([CH3:18])[C@@:42]1([CH3:19])[C@@:55]2([H])[C@H:41]([CH3:13])[C@H:109](O[CH3:9999])O3', '21 23 H 18.12 -10.88 H 16.89 -9.64 C:12001 18.60 -14.59 C:15 14.36 -12.09 C:13 16.24 -13.10 C:14 15.61 -11.36 O 11.88 -7.72 C:1 14.36 -7.72 C:9 16.89 -7.72 C:8 18.12 -8.44 C:3 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C:2 13.09 -8.44 C:10 15.61 -8.44 C:4 14.36 -10.63 C:11 17.20 -12.03 C:12 18.60 -12.17 C:7 18.12 -9.91 C:6 16.89 -10.63 C:5 15.61 -9.91 19 1 -1 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 7 14 2 8 14 1 8 15 2 9 10 1 9 15 1 10 19 1 11 14 1 11 16 1 18 12 -1 13 18 1 13 19 1 15 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', '21 23 H 18.12 -10.88 H 16.89 -9.64 C 18.60 -14.59 C 14.36 -12.09 C 16.24 -13.10 C 15.61 -11.36 O 11.88 -7.72 C 14.36 -7.72 C 16.89 -7.72 C 18.12 -8.44 C 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C 13.09 -8.44 C 15.61 -8.44 C 14.36 -10.63 C 17.20 -12.03 C 18.60 -12.17 C 18.12 -9.91 C 16.89 -10.63 C 15.61 -9.91 19 1 -1 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 7 14 2 8 14 1 8 15 2 9 10 1 9 15 1 10 19 1 11 14 1 11 16 1 18 12 -1 13 18 1 13 19 1 15 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', '21 23 H 18.12 -10.88 H 16.89 -9.64 C 18.60 -14.59 C:18 14.36 -12.09 C:13 16.24 -13.10 C:19 15.61 -11.36 O 11.88 -7.72 C:126 14.36 -7.72 C:29 16.89 -7.72 C:31 18.12 -8.44 C:44 13.09 -9.91 O 19.31 -13.38 O 19.17 -10.88 C:197 13.09 -8.44 C:173 15.61 -8.44 C:33 14.36 -10.63 C:41 17.20 -12.03 C:109 18.60 -12.17 C:78 18.12 -9.91 C:55 16.89 -10.63 C:42 15.61 -9.91 19 1 -1 20 2 -1 3 12 1 16 4 -1 17 5 -1 21 6 -1 7 14 2 8 14 1 8 15 2 9 10 1 9 15 1 10 19 1 11 14 1 11 16 1 18 12 -1 13 18 1 13 19 1 15 21 1 16 21 1 17 18 1 17 20 1 19 20 1 20 21 1', 'C16H24O3', 264.185, 'C', 'np04_1455_5', 577, '', '', '1', 11, NULL, NULL),
(8600, 'Lemnal-1(10)-ene-2,12-dione', '', 'Terpenoids', 'Sesquiterpenoids', 'Nardosinanes', '[H][C@:7]23[CH2:8][CH2:9][C:10]1=[CH:1][C:2](=O)[CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[C@@:6]2([H])[C@H:11]([CH3:13])[C:12](=O)O3', '[H][C@]23CCC1=CC(=O)C[C@H](C)[C@@]1(C)[C@@]2([H])[C@H](C)C(=O)O3', '[H][C@:75]23[CH2:27][CH2:28][C:165]1=[CH:128][C:198](=O)[CH2:42][C@H:36]([CH3:16])[C@@:42]1([CH3:19])[C@@:49]2([H])[C@H:37]([CH3:18])[C:180](=O)O3', '20 22 H 18.11 -11.46 H 16.87 -10.23 C:15 14.33 -12.68 C:13 16.22 -13.69 C:14 15.58 -11.94 O 11.84 -8.33 O 19.33 -13.96 C:1 14.33 -8.33 C:9 16.87 -8.33 C:8 18.11 -9.03 C:3 13.05 -10.49 O 19.17 -11.46 C:2 13.05 -9.03 C:12 18.61 -12.77 C:10 15.58 -9.03 C:4 14.33 -11.21 C:11 17.18 -12.62 C:7 18.11 -10.49 C:6 16.87 -11.21 C:5 15.58 -10.49 18 1 -1 19 2 -1 16 3 -1 17 4 -1 20 5 -1 6 13 2 7 14 2 8 13 1 8 15 2 9 10 1 9 15 1 10 18 1 11 13 1 11 16 1 12 14 1 12 18 1 14 17 1 15 20 1 16 20 1 17 19 1 18 19 1 19 20 1', '20 22 H 18.11 -11.46 H 16.87 -10.23 C 14.33 -12.68 C 16.22 -13.69 C 15.58 -11.94 O 11.84 -8.33 O 19.33 -13.96 C 14.33 -8.33 C 16.87 -8.33 C 18.11 -9.03 C 13.05 -10.49 O 19.17 -11.46 C 13.05 -9.03 C 18.61 -12.77 C 15.58 -9.03 C 14.33 -11.21 C 17.18 -12.62 C 18.11 -10.49 C 16.87 -11.21 C 15.58 -10.49 18 1 -1 19 2 -1 16 3 -1 17 4 -1 20 5 -1 6 13 2 7 14 2 8 13 1 8 15 2 9 10 1 9 15 1 10 18 1 11 13 1 11 16 1 12 14 1 12 18 1 14 17 1 15 20 1 16 20 1 17 19 1 18 19 1 19 20 1', '20 22 H 18.11 -11.46 H 16.87 -10.23 C:16 14.33 -12.68 C:18 16.22 -13.69 C:19 15.58 -11.94 O 11.84 -8.33 O 19.33 -13.96 C:128 14.33 -8.33 C:28 16.87 -8.33 C:27 18.11 -9.03 C:42 13.05 -10.49 O 19.17 -11.46 C:198 13.05 -9.03 C:180 18.61 -12.77 C:165 15.58 -9.03 C:36 14.33 -11.21 C:37 17.18 -12.62 C:75 18.11 -10.49 C:49 16.87 -11.21 C:42 15.58 -10.49 18 1 -1 19 2 -1 16 3 -1 17 4 -1 20 5 -1 6 13 2 7 14 2 8 13 1 8 15 2 9 10 1 9 15 1 10 18 1 11 13 1 11 16 1 12 14 1 12 18 1 14 17 1 15 20 1 16 20 1 17 19 1 18 19 1 19 20 1', 'C15H20O3', 248.175, 'C', 'np04_1455_6', 577, '', '', '1', 11, NULL, NULL),
(8601, 'Armatinol A', '', 'Steroids', 'Ergostanes', '', '[H][C@:17]4([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]5([H])[C@:8]3([H])[CH2:7][C@H:6]1O[C@:5]12[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@:9]3([H])[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(=C)C(C)C)CC[C@@]5([H])[C@]3([H])C[C@H]1O[C@]12C[C@@H](O)CC[C@]2(COC(C)=O)[C@@]3([H])CC[C@]45C', '[H][C@:56]4([C@H:36]([CH3:19])[CH2:35][CH2:31][C:157](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[CH2:28][CH2:24][C@@:57]5([H])[C@:30]3([H])[CH2:33][C@H:61]1O[C@:61]12[CH2:43][C@@H:69](O)[CH2:31][CH2:33][C@:38]2([CH2:66]O[C:171]([CH3:21])=O)[C@@:50]3([H])[CH2:22][CH2:40][C@:43]45[CH3:12]', '38 42 H 16.34 -10.57 H 15.35 -12.49 H 12.84 -12.49 H 14.07 -11.08 C:24001 21.38 -7.34 C:19002 9.15 -7.88 C:26 23.21 -9.42 C:27 21.38 -11.08 C:21 16.15 -7.16 C:18 15.35 -8.60 O 11.54 -7.88 O 7.87 -14.40 C:23 19.47 -8.95 C:22 18.51 -7.88 C:2 9.04 -12.19 C:1 10.29 -11.44 C:16 17.49 -10.72 C:15 16.65 -11.86 C:11 12.84 -10.00 C:12 14.07 -9.26 C:19 11.54 -10.72 C:7 14.07 -13.67 C:4 10.29 -14.40 O 10.29 -10.00 O 11.61 -15.08 C:19001 10.29 -8.60 C:24 20.87 -8.66 C:25 21.82 -9.75 C:3 9.04 -13.67 C:20 17.09 -8.20 C:6 12.84 -14.40 C:17 16.65 -9.55 C:14 15.35 -11.44 C:9 12.84 -11.44 C:8 14.07 -12.19 C:13 15.35 -10.00 C:10 11.54 -12.19 C:5 11.54 -13.67 32 1 -2 33 2 -2 34 3 -2 35 4 -1 5 27 2 6 26 1 7 28 1 8 28 1 30 9 -2 36 10 -1 11 26 2 29 12 -1 13 14 1 13 27 1 14 30 1 15 16 1 15 29 1 16 37 1 17 18 1 17 32 1 18 33 1 19 20 1 19 34 1 20 36 1 21 24 1 37 21 -1 22 31 1 22 35 1 23 29 1 23 38 1 24 26 1 31 25 -1 38 25 -1 27 28 1 30 32 1 31 38 1 32 36 1 33 35 1 33 36 1 34 35 1 34 37 1 37 38 1', '38 42 H 16.34 -10.57 H 15.35 -12.49 H 12.84 -12.49 H 14.07 -11.08 C 21.38 -7.34 C 9.15 -7.88 C 23.21 -9.42 C 21.38 -11.08 C 16.15 -7.16 C 15.35 -8.60 O 11.54 -7.88 O 7.87 -14.40 C 19.47 -8.95 C 18.51 -7.88 C 9.04 -12.19 C 10.29 -11.44 C 17.49 -10.72 C 16.65 -11.86 C 12.84 -10.00 C 14.07 -9.26 C 11.54 -10.72 C 14.07 -13.67 C 10.29 -14.40 O 10.29 -10.00 O 11.61 -15.08 C 10.29 -8.60 C 20.87 -8.66 C 21.82 -9.75 C 9.04 -13.67 C 17.09 -8.20 C 12.84 -14.40 C 16.65 -9.55 C 15.35 -11.44 C 12.84 -11.44 C 14.07 -12.19 C 15.35 -10.00 C 11.54 -12.19 C 11.54 -13.67 32 1 -2 33 2 -2 34 3 -2 35 4 -1 5 27 2 6 26 1 7 28 1 8 28 1 30 9 -2 36 10 -1 11 26 2 29 12 -1 13 14 1 13 27 1 14 30 1 15 16 1 15 29 1 16 37 1 17 18 1 17 32 1 18 33 1 19 20 1 19 34 1 20 36 1 21 24 1 37 21 -1 22 31 1 22 35 1 23 29 1 23 38 1 24 26 1 31 25 -1 38 25 -1 27 28 1 30 32 1 31 38 1 32 36 1 33 35 1 33 36 1 34 35 1 34 37 1 37 38 1', '38 42 H 16.34 -10.57 H 15.35 -12.49 H 12.84 -12.49 H 14.07 -11.08 C:106 21.38 -7.34 C:21 9.15 -7.88 C:22 23.21 -9.42 C:22 21.38 -11.08 C:19 16.15 -7.16 C:12 15.35 -8.60 O 11.54 -7.88 O 7.87 -14.40 C:31 19.47 -8.95 C:35 18.51 -7.88 C:31 9.04 -12.19 C:33 10.29 -11.44 C:28 17.49 -10.72 C:24 16.65 -11.86 C:22 12.84 -10.00 C:40 14.07 -9.26 C:66 11.54 -10.72 C:33 14.07 -13.67 C:43 10.29 -14.40 O 10.29 -10.00 O 11.61 -15.08 C:171 10.29 -8.60 C:157 20.87 -8.66 C:34 21.82 -9.75 C:69 9.04 -13.67 C:36 17.09 -8.20 C:61 12.84 -14.40 C:56 16.65 -9.55 C:57 15.35 -11.44 C:50 12.84 -11.44 C:30 14.07 -12.19 C:43 15.35 -10.00 C:38 11.54 -12.19 C:61 11.54 -13.67 32 1 -2 33 2 -2 34 3 -2 35 4 -1 5 27 2 6 26 1 7 28 1 8 28 1 30 9 -2 36 10 -1 11 26 2 29 12 -1 13 14 1 13 27 1 14 30 1 15 16 1 15 29 1 16 37 1 17 18 1 17 32 1 18 33 1 19 20 1 19 34 1 20 36 1 21 24 1 37 21 -1 22 31 1 22 35 1 23 29 1 23 38 1 24 26 1 31 25 -1 38 25 -1 27 28 1 30 32 1 31 38 1 32 36 1 33 35 1 33 36 1 34 35 1 34 37 1 37 38 1', 'C30H48O4', 472.35, 'C', 'np04_1455_7', 577, '', '', '1', 11, NULL, NULL),
(8602, 'Armatinol B', '', 'Steroids', 'Ergostanes', '', '[H][C@:17]3([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]4([H])[C@:8]2([H])[CH2:7][C@@H:6](O)[C@@:5]1(O)[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH2:19]O[C:19001]([CH3:19002])=O)[C@@:9]2([H])[CH2:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)CCC(=C)C(C)C)CC[C@@]4([H])[C@]2([H])C[C@@H](O)[C@@]1(O)C[C@@H](O)CC[C@]1(COC(C)=O)[C@@]2([H])CC[C@]34C', '[H][C@:56]3([C@H:36]([CH3:19])[CH2:35][CH2:31][C:157](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[CH2:28][CH2:24][C@@:56]4([H])[C@:32]2([H])[CH2:34][C@@H:76](O)[C@@:75]1(O)[CH2:41][C@@H:68](O)[CH2:32][CH2:26][C@:42]1([CH2:65]O[C:172]([CH3:21])=O)[C@@:45]2([H])[CH2:22][CH2:41][C@:43]34[CH3:12]', '39 42 H 16.36 -10.28 H 15.36 -12.20 H 12.84 -12.20 H 14.08 -10.79 C:24001 21.41 -7.03 C:19002 9.14 -7.61 C:26 23.26 -9.14 C:27 21.41 -10.79 C:21 16.17 -6.85 C:18 15.36 -8.33 O 11.54 -7.61 O 7.87 -14.12 O 12.84 -15.47 O 11.54 -14.79 C:23 19.50 -8.67 C:22 18.54 -7.61 C:2 9.05 -11.90 C:16 17.51 -10.43 C:15 16.67 -11.57 C:11 12.84 -9.72 C:12 14.08 -8.98 C:1 10.29 -11.15 C:19 11.54 -10.43 C:4 10.29 -14.12 C:7 14.08 -13.39 O 10.29 -9.72 C:19001 10.29 -8.33 C:24 20.90 -8.38 C:25 21.85 -9.47 C:3 9.05 -13.39 C:20 17.11 -7.91 C:6 12.84 -14.12 C:17 16.67 -9.27 C:14 15.36 -11.15 C:9 12.84 -11.15 C:8 14.08 -11.90 C:13 15.36 -9.72 C:5 11.54 -13.39 C:10 11.54 -11.90 33 1 -2 34 2 -2 35 3 -2 36 4 -1 5 28 2 6 27 1 7 29 1 8 29 1 31 9 -2 37 10 -1 11 27 2 30 12 -1 32 13 -1 38 14 -2 15 16 1 15 28 1 16 31 1 17 22 1 17 30 1 18 19 1 18 33 1 19 34 1 20 21 1 20 35 1 21 37 1 22 39 1 23 26 1 39 23 -1 24 30 1 24 38 1 25 32 1 25 36 1 26 27 1 28 29 1 31 33 1 32 38 1 33 37 1 34 36 1 34 37 1 35 36 1 35 39 1 38 39 1', '39 42 H 16.36 -10.28 H 15.36 -12.20 H 12.84 -12.20 H 14.08 -10.79 C 21.41 -7.03 C 9.14 -7.61 C 23.26 -9.14 C 21.41 -10.79 C 16.17 -6.85 C 15.36 -8.33 O 11.54 -7.61 O 7.87 -14.12 O 12.84 -15.47 O 11.54 -14.79 C 19.50 -8.67 C 18.54 -7.61 C 9.05 -11.90 C 17.51 -10.43 C 16.67 -11.57 C 12.84 -9.72 C 14.08 -8.98 C 10.29 -11.15 C 11.54 -10.43 C 10.29 -14.12 C 14.08 -13.39 O 10.29 -9.72 C 10.29 -8.33 C 20.90 -8.38 C 21.85 -9.47 C 9.05 -13.39 C 17.11 -7.91 C 12.84 -14.12 C 16.67 -9.27 C 15.36 -11.15 C 12.84 -11.15 C 14.08 -11.90 C 15.36 -9.72 C 11.54 -13.39 C 11.54 -11.90 33 1 -2 34 2 -2 35 3 -2 36 4 -1 5 28 2 6 27 1 7 29 1 8 29 1 31 9 -2 37 10 -1 11 27 2 30 12 -1 32 13 -1 38 14 -2 15 16 1 15 28 1 16 31 1 17 22 1 17 30 1 18 19 1 18 33 1 19 34 1 20 21 1 20 35 1 21 37 1 22 39 1 23 26 1 39 23 -1 24 30 1 24 38 1 25 32 1 25 36 1 26 27 1 28 29 1 31 33 1 32 38 1 33 37 1 34 36 1 34 37 1 35 36 1 35 39 1 38 39 1', '39 42 H 16.36 -10.28 H 15.36 -12.20 H 12.84 -12.20 H 14.08 -10.79 C:106 21.41 -7.03 C:21 9.14 -7.61 C:22 23.26 -9.14 C:22 21.41 -10.79 C:19 16.17 -6.85 C:12 15.36 -8.33 O 11.54 -7.61 O 7.87 -14.12 O 12.84 -15.47 O 11.54 -14.79 C:31 19.50 -8.67 C:35 18.54 -7.61 C:32 9.05 -11.90 C:28 17.51 -10.43 C:24 16.67 -11.57 C:22 12.84 -9.72 C:41 14.08 -8.98 C:26 10.29 -11.15 C:65 11.54 -10.43 C:41 10.29 -14.12 C:34 14.08 -13.39 O 10.29 -9.72 C:172 10.29 -8.33 C:157 20.90 -8.38 C:34 21.85 -9.47 C:68 9.05 -13.39 C:36 17.11 -7.91 C:76 12.84 -14.12 C:56 16.67 -9.27 C:56 15.36 -11.15 C:45 12.84 -11.15 C:32 14.08 -11.90 C:43 15.36 -9.72 C:75 11.54 -13.39 C:42 11.54 -11.90 33 1 -2 34 2 -2 35 3 -2 36 4 -1 5 28 2 6 27 1 7 29 1 8 29 1 31 9 -2 37 10 -1 11 27 2 30 12 -1 32 13 -1 38 14 -2 15 16 1 15 28 1 16 31 1 17 22 1 17 30 1 18 19 1 18 33 1 19 34 1 20 21 1 20 35 1 21 37 1 22 39 1 23 26 1 39 23 -1 24 30 1 24 38 1 25 32 1 25 36 1 26 27 1 28 29 1 31 33 1 32 38 1 33 37 1 34 36 1 34 37 1 35 36 1 35 39 1 38 39 1', 'C30H50O5', 490.35, 'C', 'np04_1455_8', 577, '', '', '1', 11, NULL, NULL),
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(8618, 'Dehydroaxinysterol', '', 'Steroids', 'Ergostanes', '', '[H][C@:17]1([C@H:20]([CH3:21])[CH:22]=[CH:23][C@H:24]([CH3:24001])[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@:14]4([H])[C@:13]1([CH3:18])[CH2:12][CH:11]=[C:9]3[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O)[CH2:4][C@:5]25[CH:6]=[CH:7][C@@:8]34OO5', '[H][C@]1([C@H](C)C=C[C@H](C)C(=C)C)CC[C@]4([H])[C@]1(C)CC=C3[C@@]2(C)CC[C@H](O)C[C@]25C=C[C@@]34OO5', '[H][C@:56]1([C@H:40]([CH3:21])[CH:135]=[CH:132][C@H:44]([CH3:19])[C:150](=[CH2:109])[CH3:21])[CH2:29][CH2:21][C@:48]4([H])[C@:44]1([CH3:13])[CH2:41][CH:120]=[C:143]3[C@@:38]2([CH3:26])[CH2:33][CH2:31][C@H:66](O)[CH2:36][C@:83]25[CH:136]=[CH:131][C@@:78]34OO5', '33 37 H 16.35 -10.94 H 15.35 -12.87 C:26 23.25 -9.80 C:27 21.39 -11.46 C:24001 21.33 -7.72 C:21 16.16 -7.52 C:19 11.53 -11.09 C:18 15.35 -8.95 O 7.87 -14.78 C:11 12.83 -10.39 C:23 19.48 -9.34 C:22 18.52 -8.29 C:6 12.83 -14.74 C:7 14.06 -14.05 C:2 9.04 -12.56 C:12 14.06 -9.64 C:1 10.29 -11.81 C:16 17.50 -11.09 C:15 16.67 -12.23 C:4 10.29 -14.74 O 12.37 -13.26 O 13.49 -13.71 C:25 21.83 -10.13 C:9 12.83 -11.81 C:24 20.88 -9.04 C:3 9.04 -14.05 C:20 17.10 -8.58 C:17 16.67 -9.93 C:14 15.35 -11.81 C:10 11.53 -12.56 C:13 15.35 -10.39 C:5 11.53 -14.05 C:8 14.06 -12.56 28 1 -2 29 2 -2 3 23 2 4 23 1 25 5 -2 27 6 -2 30 7 -1 31 8 -1 26 9 -1 10 16 1 10 24 2 11 12 2 11 25 1 12 27 1 13 14 2 13 32 1 14 33 1 15 17 1 15 26 1 16 31 1 17 30 1 18 19 1 18 28 1 19 29 1 20 26 1 20 32 1 21 22 1 32 21 -2 33 22 -2 23 25 1 24 30 1 24 33 1 27 28 1 28 31 1 29 31 1 29 33 1 30 32 1', '33 37 H 16.35 -10.94 H 15.35 -12.87 C 23.25 -9.80 C 21.39 -11.46 C 21.33 -7.72 C 16.16 -7.52 C 11.53 -11.09 C 15.35 -8.95 O 7.87 -14.78 C 12.83 -10.39 C 19.48 -9.34 C 18.52 -8.29 C 12.83 -14.74 C 14.06 -14.05 C 9.04 -12.56 C 14.06 -9.64 C 10.29 -11.81 C 17.50 -11.09 C 16.67 -12.23 C 10.29 -14.74 O 12.37 -13.26 O 13.49 -13.71 C 21.83 -10.13 C 12.83 -11.81 C 20.88 -9.04 C 9.04 -14.05 C 17.10 -8.58 C 16.67 -9.93 C 15.35 -11.81 C 11.53 -12.56 C 15.35 -10.39 C 11.53 -14.05 C 14.06 -12.56 28 1 -2 29 2 -2 3 23 2 4 23 1 25 5 -2 27 6 -2 30 7 -1 31 8 -1 26 9 -1 10 16 1 10 24 2 11 12 2 11 25 1 12 27 1 13 14 2 13 32 1 14 33 1 15 17 1 15 26 1 16 31 1 17 30 1 18 19 1 18 28 1 19 29 1 20 26 1 20 32 1 21 22 1 32 21 -2 33 22 -2 23 25 1 24 30 1 24 33 1 27 28 1 28 31 1 29 31 1 29 33 1 30 32 1', '33 37 H 16.35 -10.94 H 15.35 -12.87 C:109 23.25 -9.80 C:21 21.39 -11.46 C:19 21.33 -7.72 C:21 16.16 -7.52 C:26 11.53 -11.09 C:13 15.35 -8.95 O 7.87 -14.78 C:120 12.83 -10.39 C:132 19.48 -9.34 C:135 18.52 -8.29 C:136 12.83 -14.74 C:131 14.06 -14.05 C:31 9.04 -12.56 C:41 14.06 -9.64 C:33 10.29 -11.81 C:29 17.50 -11.09 C:21 16.67 -12.23 C:36 10.29 -14.74 O 12.37 -13.26 O 13.49 -13.71 C:150 21.83 -10.13 C:143 12.83 -11.81 C:44 20.88 -9.04 C:66 9.04 -14.05 C:40 17.10 -8.58 C:56 16.67 -9.93 C:48 15.35 -11.81 C:38 11.53 -12.56 C:44 15.35 -10.39 C:83 11.53 -14.05 C:78 14.06 -12.56 28 1 -2 29 2 -2 3 23 2 4 23 1 25 5 -2 27 6 -2 30 7 -1 31 8 -1 26 9 -1 10 16 1 10 24 2 11 12 2 11 25 1 12 27 1 13 14 2 13 32 1 14 33 1 15 17 1 15 26 1 16 31 1 17 30 1 18 19 1 18 28 1 19 29 1 20 26 1 20 32 1 21 22 1 32 21 -2 33 22 -2 23 25 1 24 30 1 24 33 1 27 28 1 28 31 1 29 31 1 29 33 1 30 32 1', 'C28H40O3', 424.314, 'C', 'cpb02_1286_2', 986, '', '', '1', 8, 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
(8619, 'Axinysterol', '', 'Steroids', 'Ergostanes', '', '[H][C@:17]1([C@H:20]([CH3:21])[CH:22]=[CH:23][C@H:24]([CH3:24001])[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@:14]3([H])[C@:13]1([CH3:18])[CH2:12][CH2:11][C@:9]4([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O)[CH2:4][C@:5]25[CH:6]=[CH:7][C@:8]34OO5', '[H][C@]1([C@H](C)C=C[C@H](C)C(=C)C)CC[C@]3([H])[C@]1(C)CC[C@]4([H])[C@@]2(C)CC[C@H](O)C[C@]25C=C[C@]34OO5', '[H][C@:56]1([C@H:40]([CH3:21])[CH:136]=[CH:132][C@H:44]([CH3:19])[C:150](=[CH2:109])[CH3:21])[CH2:29][CH2:24][C@:52]3([H])[C@:45]1([CH3:13])[CH2:40][CH2:21][C@:51]4([H])[C@@:37]2([CH3:18])[CH2:35][CH2:30][C@H:67](O)[CH2:37][C@:82]25[CH:135]=[CH:131][C@:80]34OO5', '34 38 H 16.34 -10.95 H 15.34 -12.90 H 12.80 -12.89 C:26 23.29 -9.81 C:27 21.42 -11.48 C:24001 21.36 -7.71 C:21 16.15 -7.51 C:18 15.32 -8.95 C:19 11.49 -11.11 O 7.81 -14.82 C:23 19.49 -9.34 C:22 18.53 -8.29 C:6 12.80 -14.78 C:7 14.04 -14.08 C:2 8.99 -12.58 C:1 10.24 -11.83 C:16 17.50 -11.11 C:15 16.66 -12.25 C:11 12.80 -10.40 C:12 14.04 -9.65 C:4 10.24 -14.78 O 12.34 -13.29 O 13.46 -13.74 C:25 21.86 -10.14 C:24 20.90 -9.04 C:3 8.99 -14.08 C:20 17.10 -8.58 C:17 16.66 -9.94 C:14 15.34 -11.83 C:9 12.80 -11.83 C:13 15.34 -10.40 C:10 11.49 -12.58 C:5 11.49 -14.08 C:8 14.04 -12.58 28 1 -2 29 2 -2 30 3 -2 4 24 2 5 24 1 25 6 -2 27 7 -2 31 8 -1 32 9 -1 26 10 -1 11 12 2 11 25 1 12 27 1 13 14 2 13 33 1 14 34 1 15 16 1 15 26 1 16 32 1 17 18 1 17 28 1 18 29 1 19 20 1 19 30 1 20 31 1 21 26 1 21 33 1 22 23 1 33 22 -2 34 23 -2 24 25 1 27 28 1 28 31 1 29 31 1 29 34 1 30 32 1 30 34 1 32 33 1', '34 38 H 16.34 -10.95 H 15.34 -12.90 H 12.80 -12.89 C 23.29 -9.81 C 21.42 -11.48 C 21.36 -7.71 C 16.15 -7.51 C 15.32 -8.95 C 11.49 -11.11 O 7.81 -14.82 C 19.49 -9.34 C 18.53 -8.29 C 12.80 -14.78 C 14.04 -14.08 C 8.99 -12.58 C 10.24 -11.83 C 17.50 -11.11 C 16.66 -12.25 C 12.80 -10.40 C 14.04 -9.65 C 10.24 -14.78 O 12.34 -13.29 O 13.46 -13.74 C 21.86 -10.14 C 20.90 -9.04 C 8.99 -14.08 C 17.10 -8.58 C 16.66 -9.94 C 15.34 -11.83 C 12.80 -11.83 C 15.34 -10.40 C 11.49 -12.58 C 11.49 -14.08 C 14.04 -12.58 28 1 -2 29 2 -2 30 3 -2 4 24 2 5 24 1 25 6 -2 27 7 -2 31 8 -1 32 9 -1 26 10 -1 11 12 2 11 25 1 12 27 1 13 14 2 13 33 1 14 34 1 15 16 1 15 26 1 16 32 1 17 18 1 17 28 1 18 29 1 19 20 1 19 30 1 20 31 1 21 26 1 21 33 1 22 23 1 33 22 -2 34 23 -2 24 25 1 27 28 1 28 31 1 29 31 1 29 34 1 30 32 1 30 34 1 32 33 1', '34 38 H 16.34 -10.95 H 15.34 -12.90 H 12.80 -12.89 C:109 23.29 -9.81 C:21 21.42 -11.48 C:19 21.36 -7.71 C:21 16.15 -7.51 C:13 15.32 -8.95 C:18 11.49 -11.11 O 7.81 -14.82 C:132 19.49 -9.34 C:136 18.53 -8.29 C:135 12.80 -14.78 C:131 14.04 -14.08 C:30 8.99 -12.58 C:35 10.24 -11.83 C:29 17.50 -11.11 C:24 16.66 -12.25 C:21 12.80 -10.40 C:40 14.04 -9.65 C:37 10.24 -14.78 O 12.34 -13.29 O 13.46 -13.74 C:150 21.86 -10.14 C:44 20.90 -9.04 C:67 8.99 -14.08 C:40 17.10 -8.58 C:56 16.66 -9.94 C:52 15.34 -11.83 C:51 12.80 -11.83 C:45 15.34 -10.40 C:37 11.49 -12.58 C:82 11.49 -14.08 C:80 14.04 -12.58 28 1 -2 29 2 -2 30 3 -2 4 24 2 5 24 1 25 6 -2 27 7 -2 31 8 -1 32 9 -1 26 10 -1 11 12 2 11 25 1 12 27 1 13 14 2 13 33 1 14 34 1 15 16 1 15 26 1 16 32 1 17 18 1 17 28 1 18 29 1 19 20 1 19 30 1 20 31 1 21 26 1 21 33 1 22 23 1 33 22 -2 34 23 -2 24 25 1 27 28 1 28 31 1 29 31 1 29 34 1 30 32 1 30 34 1 32 33 1', 'C28H42O3', 426.322, 'C', 'cpb02_1286_3', 986, '', '', '1', 8, NULL, NULL),
(8620, '', '6-Hydroxy-2-methyl-5-(5-hydroxy-1(R),5-dimethyl-hex-3-enyl)-phenol', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:15][c:3]1[cH:4][cH:5][c:6]([C@H:7]([CH3:14])[CH2:8][CH:9]=[CH:10][C:11]([CH3:13])([CH3:12])O)[c:1](O)[c:2]1O', 'Cc1ccc([C@H](C)CC=CC(C)(C)O)c(O)c1O', '[CH3:19][c:122]1[cH:124][cH:118][c:131]([C@H:39]([CH3:22])[CH2:38][CH:125]=[CH:138][C:73]([CH3:30])([CH3:29])O)[c:141](O)[c:142]1O', '18 18 C:15 10.11 -13.26 C:14 14.95 -9.07 C:13 21.02 -11.16 C:12 19.80 -9.05 O 10.11 -10.46 O 12.52 -9.05 O 21.02 -9.73 C:9 17.36 -10.46 C:10 18.61 -11.16 C:4 12.52 -13.26 C:5 13.73 -12.56 C:8 16.15 -11.16 C:3 11.33 -12.56 C:2 11.33 -11.16 C:1 12.52 -10.46 C:6 13.73 -11.16 C:7 14.95 -10.46 C:11 19.80 -10.46 1 13 1 17 2 -2 3 18 1 4 18 1 5 14 1 6 15 1 7 18 1 8 9 2 8 12 1 9 18 1 10 11 2 10 13 1 11 16 1 12 17 1 13 14 2 14 15 1 15 16 2 16 17 1', '18 18 C 10.11 -13.26 C 14.95 -9.07 C 21.02 -11.16 C 19.80 -9.05 O 10.11 -10.46 O 12.52 -9.05 O 21.02 -9.73 C 17.36 -10.46 C 18.61 -11.16 C 12.52 -13.26 C 13.73 -12.56 C 16.15 -11.16 C 11.33 -12.56 C 11.33 -11.16 C 12.52 -10.46 C 13.73 -11.16 C 14.95 -10.46 C 19.80 -10.46 1 13 1 17 2 -2 3 18 1 4 18 1 5 14 1 6 15 1 7 18 1 8 9 2 8 12 1 9 18 1 10 11 2 10 13 1 11 16 1 12 17 1 13 14 2 14 15 1 15 16 2 16 17 1', '18 18 C:19 10.11 -13.26 C:22 14.95 -9.07 C:30 21.02 -11.16 C:29 19.80 -9.05 O 10.11 -10.46 O 12.52 -9.05 O 21.02 -9.73 C:125 17.36 -10.46 C:138 18.61 -11.16 C:124 12.52 -13.26 C:118 13.73 -12.56 C:38 16.15 -11.16 C:122 11.33 -12.56 C:142 11.33 -11.16 C:141 12.52 -10.46 C:131 13.73 -11.16 C:39 14.95 -10.46 C:73 19.80 -10.46 1 13 1 17 2 -2 3 18 1 4 18 1 5 14 1 6 15 1 7 18 1 8 9 2 8 12 1 9 18 1 10 11 2 10 13 1 11 16 1 12 17 1 13 14 2 14 15 1 15 16 2 16 17 1', 'C15H22O3', 250.159, 'B', 'cpb03_479_1', 1444, '', '', '1', 8, NULL, NULL),
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(8622, '', '3b,16b,20(S),25-tetrahydroxydammar-23-en', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@@:5]34[CH2:6][CH2:7][C@:8]2([CH3:30])[C@:9]([H])([CH2:11][CH2:12][C@:13]1([H])[C@@:17]([H])([C@@:20]([CH3:21])(O)[CH2:22][CH:23]=[CH:24][C:25]([CH3:26])([CH3:27])O)[C@@H:16](O)[CH2:15][C@:14]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CC[C@]2(C)[C@]([H])(CC[C@]1([H])[C@@]([H])([C@@](C)(O)CC=CC(C)(C)O)[C@@H](O)C[C@]12C)[C@@]3(C)CC[C@H](O)[C@]4(C)C', '[H][C@@:55]34[CH2:20][CH2:35][C@:41]2([CH3:18])[C@:51]([H])([CH2:22][CH2:27][C@:51]1([H])[C@@:42]([H])([C@@:76]([CH3:26])(O)[CH2:34][CH:128]=[CH:138][C:82]([CH3:25])([CH3:25])O)[C@@H:75](O)[CH2:43][C@:52]12[CH3:19])[C@@:37]3([CH3:16])[CH2:38][CH2:27][C@H:75](O)[C@:40]4([CH3:22])[CH3:14]', '38 41 H 11.57 -14.51 H 15.38 -8.70 H 12.86 -12.25 H 16.40 -10.30 C:26 23.27 -9.23 C:27 21.43 -10.87 C:28 11.06 -15.39 C:29 9.54 -15.34 C:21 16.22 -6.92 C:19 11.57 -10.50 C:30 14.12 -10.50 C:18 15.40 -12.69 O 7.91 -14.18 O 18.98 -10.51 O 22.79 -10.59 O 17.80 -6.74 C:23 19.52 -8.76 C:24 20.92 -8.46 C:22 18.58 -7.70 C:2 9.10 -11.95 C:12 14.12 -9.07 C:11 12.86 -9.79 C:6 12.86 -14.13 C:1 10.33 -11.21 C:7 14.12 -13.43 C:15 16.73 -11.63 C:3 9.10 -13.43 C:16 17.58 -10.50 C:25 21.87 -9.54 C:4 10.33 -14.13 C:20 17.17 -7.99 C:5 11.57 -13.43 C:13 15.38 -9.79 C:9 12.86 -11.21 C:17 16.73 -9.36 C:10 11.57 -11.95 C:8 14.12 -11.95 C:14 15.38 -11.21 32 1 -2 33 2 -1 34 3 -2 35 4 -2 5 29 1 6 29 1 30 7 -2 30 8 -1 31 9 -2 36 10 -1 37 11 -1 38 12 -2 27 13 -1 28 14 -1 15 29 1 31 16 -1 17 18 2 17 19 1 18 29 1 19 31 1 20 24 1 20 27 1 21 22 1 21 33 1 22 34 1 23 25 1 23 32 1 24 36 1 25 37 1 26 28 1 26 38 1 27 30 1 28 35 1 30 32 1 31 35 1 32 36 1 33 35 1 33 38 1 34 36 1 34 37 1 37 38 1', '38 41 H 11.57 -14.51 H 15.38 -8.70 H 12.86 -12.25 H 16.40 -10.30 C 23.27 -9.23 C 21.43 -10.87 C 11.06 -15.39 C 9.54 -15.34 C 16.22 -6.92 C 11.57 -10.50 C 14.12 -10.50 C 15.40 -12.69 O 7.91 -14.18 O 18.98 -10.51 O 22.79 -10.59 O 17.80 -6.74 C 19.52 -8.76 C 20.92 -8.46 C 18.58 -7.70 C 9.10 -11.95 C 14.12 -9.07 C 12.86 -9.79 C 12.86 -14.13 C 10.33 -11.21 C 14.12 -13.43 C 16.73 -11.63 C 9.10 -13.43 C 17.58 -10.50 C 21.87 -9.54 C 10.33 -14.13 C 17.17 -7.99 C 11.57 -13.43 C 15.38 -9.79 C 12.86 -11.21 C 16.73 -9.36 C 11.57 -11.95 C 14.12 -11.95 C 15.38 -11.21 32 1 -2 33 2 -1 34 3 -2 35 4 -2 5 29 1 6 29 1 30 7 -2 30 8 -1 31 9 -2 36 10 -1 37 11 -1 38 12 -2 27 13 -1 28 14 -1 15 29 1 31 16 -1 17 18 2 17 19 1 18 29 1 19 31 1 20 24 1 20 27 1 21 22 1 21 33 1 22 34 1 23 25 1 23 32 1 24 36 1 25 37 1 26 28 1 26 38 1 27 30 1 28 35 1 30 32 1 31 35 1 32 36 1 33 35 1 33 38 1 34 36 1 34 37 1 37 38 1', '38 41 H 11.57 -14.51 H 15.38 -8.70 H 12.86 -12.25 H 16.40 -10.30 C:25 23.27 -9.23 C:25 21.43 -10.87 C:22 11.06 -15.39 C:14 9.54 -15.34 C:26 16.22 -6.92 C:16 11.57 -10.50 C:18 14.12 -10.50 C:19 15.40 -12.69 O 7.91 -14.18 O 18.98 -10.51 O 22.79 -10.59 O 17.80 -6.74 C:128 19.52 -8.76 C:138 20.92 -8.46 C:34 18.58 -7.70 C:27 9.10 -11.95 C:27 14.12 -9.07 C:22 12.86 -9.79 C:20 12.86 -14.13 C:38 10.33 -11.21 C:35 14.12 -13.43 C:43 16.73 -11.63 C:75 9.10 -13.43 C:75 17.58 -10.50 C:82 21.87 -9.54 C:40 10.33 -14.13 C:76 17.17 -7.99 C:55 11.57 -13.43 C:51 15.38 -9.79 C:51 12.86 -11.21 C:42 16.73 -9.36 C:37 11.57 -11.95 C:41 14.12 -11.95 C:52 15.38 -11.21 32 1 -2 33 2 -1 34 3 -2 35 4 -2 5 29 1 6 29 1 30 7 -2 30 8 -1 31 9 -2 36 10 -1 37 11 -1 38 12 -2 27 13 -1 28 14 -1 15 29 1 31 16 -1 17 18 2 17 19 1 18 29 1 19 31 1 20 24 1 20 27 1 21 22 1 21 33 1 22 34 1 23 25 1 23 32 1 24 36 1 25 37 1 26 28 1 26 38 1 27 30 1 28 35 1 30 32 1 31 35 1 32 36 1 33 35 1 33 38 1 34 36 1 34 37 1 37 38 1', 'C30H52O4', 476.35, 'C', 'cpb03_479_3', 1444, '', '', '1', 8, NULL, NULL),
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(8626, 'Sugikurojinols B', '1,8-Epoxy-1(6),2,4,7,10-bisaborapenta-en-4-ol', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:12][C:11]([CH3:13])=[CH:10][CH2:9][c:8]2o[c:1]1[cH:2][c:3]([CH3:15])[c:4](O)[cH:5][c:6]1[c:7]2[CH3:14]', 'CC(C)=CCc2oc1cc(C)c(O)cc1c2C', '[CH3:18][C:134]([CH3:26])=[CH:120][CH2:26][c:153]2o[c:149]1[cH:111][c:120]([CH3:17])[c:150](O)[cH:104][c:129]1[c:109]2[CH3:8]', '17 18 C:12 20.57 -11.18 C:13 20.57 -13.59 C:15 10.55 -12.58 C:14 15.93 -8.72 O 10.55 -9.78 C:10 18.45 -12.39 C:2 12.97 -12.58 C:5 12.97 -9.77 C:9 17.76 -11.18 O 15.52 -12.30 C:11 19.86 -12.39 C:3 11.76 -11.88 C:4 11.76 -10.47 C:7 15.52 -10.05 C:8 16.34 -11.18 C:1 14.20 -11.88 C:6 14.20 -10.47 1 11 1 2 11 1 3 12 1 4 14 1 5 13 1 6 9 1 6 11 2 7 12 2 7 16 1 8 13 2 8 17 1 9 15 1 10 15 1 10 16 1 12 13 1 14 15 2 14 17 1 16 17 2', '17 18 C 20.57 -11.18 C 20.57 -13.59 C 10.55 -12.58 C 15.93 -8.72 O 10.55 -9.78 C 18.45 -12.39 C 12.97 -12.58 C 12.97 -9.77 C 17.76 -11.18 O 15.52 -12.30 C 19.86 -12.39 C 11.76 -11.88 C 11.76 -10.47 C 15.52 -10.05 C 16.34 -11.18 C 14.20 -11.88 C 14.20 -10.47 1 11 1 2 11 1 3 12 1 4 14 1 5 13 1 6 9 1 6 11 2 7 12 2 7 16 1 8 13 2 8 17 1 9 15 1 10 15 1 10 16 1 12 13 1 14 15 2 14 17 1 16 17 2', '17 18 C:18 20.57 -11.18 C:26 20.57 -13.59 C:17 10.55 -12.58 C:8 15.93 -8.72 O 10.55 -9.78 C:120 18.45 -12.39 C:111 12.97 -12.58 C:104 12.97 -9.77 C:26 17.76 -11.18 O 15.52 -12.30 C:134 19.86 -12.39 C:120 11.76 -11.88 C:150 11.76 -10.47 C:109 15.52 -10.05 C:153 16.34 -11.18 C:149 14.20 -11.88 C:129 14.20 -10.47 1 11 1 2 11 1 3 12 1 4 14 1 5 13 1 6 9 1 6 11 2 7 12 2 7 16 1 8 13 2 8 17 1 9 15 1 10 15 1 10 16 1 12 13 1 14 15 2 14 17 1 16 17 2', 'C15H18O2', 230.159, 'C', 'cpb04_463_2', 139, '', '', '1', 8, NULL, NULL),
(8627, '', '1-Methoxy-4-cadinene', 'Terpenoids', 'Sesquiterpenoids', 'Cadinanes', '[H][C@@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1(O[CH3:1001])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH3:12])[CH3:13]', '[H][C@@]12C=C(C)CC[C@@]1(OC)[C@H](C)CC[C@H]2C(C)C', '[H][C@@:48]12[CH:120]=[C:134]([CH3:24])[CH2:27][CH2:27][C@@:75]1(O[CH3:52])[C@H:42]([CH3:17])[CH2:30][CH2:25][C@H:39]2[CH:26]([CH3:21])[CH3:15]', '18 19 H 16.23 -12.55 C:1001 15.04 -8.27 C:14 12.47 -12.24 C:12 16.23 -14.42 C:13 18.72 -14.42 C:15 17.47 -7.91 C:5 14.99 -12.24 C:3 13.73 -10.08 C:9 18.72 -10.08 C:8 18.72 -11.51 C:2 14.99 -9.36 O 16.23 -9.00 C:4 13.73 -11.51 C:11 17.47 -13.69 C:10 17.47 -9.36 C:7 17.47 -12.24 C:6 16.23 -11.51 C:1 16.23 -10.08 17 1 -1 2 12 1 3 13 1 4 14 1 5 14 1 15 6 -2 7 13 2 7 17 1 8 11 1 8 13 1 9 10 1 9 15 1 10 16 1 11 18 1 18 12 -2 16 14 -1 15 18 1 16 17 1 17 18 1', '18 19 H 16.23 -12.55 C 15.04 -8.27 C 12.47 -12.24 C 16.23 -14.42 C 18.72 -14.42 C 17.47 -7.91 C 14.99 -12.24 C 13.73 -10.08 C 18.72 -10.08 C 18.72 -11.51 C 14.99 -9.36 O 16.23 -9.00 C 13.73 -11.51 C 17.47 -13.69 C 17.47 -9.36 C 17.47 -12.24 C 16.23 -11.51 C 16.23 -10.08 17 1 -1 2 12 1 3 13 1 4 14 1 5 14 1 15 6 -2 7 13 2 7 17 1 8 11 1 8 13 1 9 10 1 9 15 1 10 16 1 11 18 1 18 12 -2 16 14 -1 15 18 1 16 17 1 17 18 1', '18 19 H 16.23 -12.55 C:52 15.04 -8.27 C:24 12.47 -12.24 C:21 16.23 -14.42 C:15 18.72 -14.42 C:17 17.47 -7.91 C:120 14.99 -12.24 C:27 13.73 -10.08 C:30 18.72 -10.08 C:25 18.72 -11.51 C:27 14.99 -9.36 O 16.23 -9.00 C:134 13.73 -11.51 C:26 17.47 -13.69 C:42 17.47 -9.36 C:39 17.47 -12.24 C:48 16.23 -11.51 C:75 16.23 -10.08 17 1 -1 2 12 1 3 13 1 4 14 1 5 14 1 15 6 -2 7 13 2 7 17 1 8 11 1 8 13 1 9 10 1 9 15 1 10 16 1 11 18 1 18 12 -2 16 14 -1 15 18 1 16 17 1 17 18 1', 'C16H28O', 236.179, 'C', 'cpb04_463_3', 139, '', '', '1', 8, NULL, NULL),
(8628, 'Lippidulcine A', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@@:6]1([C@@:7]([CH3:14])(O)[CH2:8][CH:9]=[CH:10][C:11]([CH3:13])([CH3:12])O)[CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][C:1]1=O', '[H][C@@]1([C@@](C)(O)CC=CC(C)(C)O)CCC(C)=CC1=O', '[H][C@@:53]1([C@@:76]([CH3:25])(O)[CH2:44][CH:123]=[CH:143][C:71]([CH3:30])([CH3:30])O)[CH2:26][CH2:32][C:167]([CH3:24])=[CH:128][C:206]1=O', '19 19 H 13.71 -10.07 C:15 10.02 -13.28 C:13 21.12 -11.14 C:12 19.88 -9.02 C:14 15.64 -9.21 O 12.47 -9.02 O 21.04 -9.64 O 14.24 -9.21 C:9 17.41 -10.42 C:10 18.67 -11.14 C:2 11.26 -11.14 C:8 16.17 -11.14 C:4 12.47 -13.28 C:5 13.71 -12.56 C:3 11.26 -12.56 C:1 12.47 -10.42 C:11 19.88 -10.42 C:7 14.94 -10.42 C:6 13.71 -11.14 19 1 -1 2 15 1 3 17 1 4 17 1 18 5 -2 6 16 2 7 17 1 18 8 -1 9 10 2 9 12 1 10 17 1 11 15 2 11 16 1 12 18 1 13 14 1 13 15 1 14 19 1 16 19 1 18 19 1', '19 19 H 13.71 -10.07 C 10.02 -13.28 C 21.12 -11.14 C 19.88 -9.02 C 15.64 -9.21 O 12.47 -9.02 O 21.04 -9.64 O 14.24 -9.21 C 17.41 -10.42 C 18.67 -11.14 C 11.26 -11.14 C 16.17 -11.14 C 12.47 -13.28 C 13.71 -12.56 C 11.26 -12.56 C 12.47 -10.42 C 19.88 -10.42 C 14.94 -10.42 C 13.71 -11.14 19 1 -1 2 15 1 3 17 1 4 17 1 18 5 -2 6 16 2 7 17 1 18 8 -1 9 10 2 9 12 1 10 17 1 11 15 2 11 16 1 12 18 1 13 14 1 13 15 1 14 19 1 16 19 1 18 19 1', '19 19 H 13.71 -10.07 C:24 10.02 -13.28 C:30 21.12 -11.14 C:30 19.88 -9.02 C:25 15.64 -9.21 O 12.47 -9.02 O 21.04 -9.64 O 14.24 -9.21 C:123 17.41 -10.42 C:143 18.67 -11.14 C:128 11.26 -11.14 C:44 16.17 -11.14 C:32 12.47 -13.28 C:26 13.71 -12.56 C:167 11.26 -12.56 C:206 12.47 -10.42 C:71 19.88 -10.42 C:76 14.94 -10.42 C:53 13.71 -11.14 19 1 -1 2 15 1 3 17 1 4 17 1 18 5 -2 6 16 2 7 17 1 18 8 -1 9 10 2 9 12 1 10 17 1 11 15 2 11 16 1 12 18 1 13 14 1 13 15 1 14 19 1 16 19 1 18 19 1', 'C15H24O3', 252.167, 'M', 'cpb05_1175_3', 1707, '', '', '1', 8, NULL, NULL),
(8629, 'Epilippidulcine A', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@:6]1([C@@:7]([CH3:14])(O)[CH2:8][CH:9]=[CH:10][C:11]([CH3:12])([CH3:13])O)[CH2:5][CH2:4][C:3]([CH3:15])=[CH:2][C:1]1=O', '[H][C@]1([C@@](C)(O)CC=CC(C)(C)O)CCC(C)=CC1=O', '[H][C@:55]1([C@@:76]([CH3:25])(O)[CH2:43][CH:124]=[CH:142][C:71]([CH3:30])([CH3:30])O)[CH2:26][CH2:32][C:166]([CH3:24])=[CH:128][C:204]1=O', '19 19 H 13.72 -10.06 C:15 10.06 -13.26 C:12 19.90 -9.01 C:13 21.13 -11.13 C:14 15.65 -9.19 O 12.50 -9.01 O 21.13 -9.70 O 14.23 -9.19 C:9 17.43 -10.42 C:10 18.68 -11.13 C:2 11.28 -11.13 C:8 16.18 -11.13 C:4 12.50 -13.26 C:5 13.72 -12.55 C:3 11.28 -12.55 C:1 12.50 -10.42 C:11 19.90 -10.42 C:7 14.95 -10.42 C:6 13.72 -11.13 19 1 -2 2 15 1 3 17 1 4 17 1 18 5 -2 6 16 2 7 17 1 18 8 -1 9 10 2 9 12 1 10 17 1 11 15 2 11 16 1 12 18 1 13 14 1 13 15 1 14 19 1 16 19 1 18 19 1', '19 19 H 13.72 -10.06 C 10.06 -13.26 C 19.90 -9.01 C 21.13 -11.13 C 15.65 -9.19 O 12.50 -9.01 O 21.13 -9.70 O 14.23 -9.19 C 17.43 -10.42 C 18.68 -11.13 C 11.28 -11.13 C 16.18 -11.13 C 12.50 -13.26 C 13.72 -12.55 C 11.28 -12.55 C 12.50 -10.42 C 19.90 -10.42 C 14.95 -10.42 C 13.72 -11.13 19 1 -2 2 15 1 3 17 1 4 17 1 18 5 -2 6 16 2 7 17 1 18 8 -1 9 10 2 9 12 1 10 17 1 11 15 2 11 16 1 12 18 1 13 14 1 13 15 1 14 19 1 16 19 1 18 19 1', '19 19 H 13.72 -10.06 C:24 10.06 -13.26 C:30 19.90 -9.01 C:30 21.13 -11.13 C:25 15.65 -9.19 O 12.50 -9.01 O 21.13 -9.70 O 14.23 -9.19 C:124 17.43 -10.42 C:142 18.68 -11.13 C:128 11.28 -11.13 C:43 16.18 -11.13 C:32 12.50 -13.26 C:26 13.72 -12.55 C:166 11.28 -12.55 C:204 12.50 -10.42 C:71 19.90 -10.42 C:76 14.95 -10.42 C:55 13.72 -11.13 19 1 -2 2 15 1 3 17 1 4 17 1 18 5 -2 6 16 2 7 17 1 18 8 -1 9 10 2 9 12 1 10 17 1 11 15 2 11 16 1 12 18 1 13 14 1 13 15 1 14 19 1 16 19 1 18 19 1', 'C15H24O3', 252.167, 'M', 'cpb05_1175_4', 1707, '', '', '1', 8, NULL, NULL),
(8630, '', 'rel-(1R,2S,4R)-1-[(1R)-1,5-Dimethylhex-4-enyl]-1-methylcyclohexane-1,2,4-triol', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:12][C:11]([CH3:13])=[CH:10][CH2:9][CH2:8][C@H:7]([CH3:14])[C@:6]1(O)[CH2:5][CH2:4][C@:3]([CH3:15])(O)[C@H:2](O)[CH2:1]1', 'CC(C)=CCC[C@H](C)[C@]1(O)CC[C@](C)(O)[C@H](O)C1', '[CH3:18][C:132]([CH3:26])=[CH:124][CH2:27][CH2:34][C@H:44]([CH3:14])[C@:76]1(O)[CH2:29][CH2:31][C@:72]([CH3:28])(O)[C@H:75](O)[CH2:30]1', '18 18 C:12 19.89 -8.81 C:13 21.12 -10.90 C:14 14.97 -8.81 C:15 10.66 -13.51 O 10.15 -10.21 O 9.97 -12.31 O 13.76 -9.52 C:10 18.70 -10.90 C:9 17.42 -10.19 C:8 16.19 -10.90 C:4 12.54 -13.03 C:5 13.76 -12.31 C:1 12.54 -10.21 C:11 19.89 -10.21 C:7 14.97 -10.21 C:2 11.35 -10.90 C:3 11.35 -12.31 C:6 13.76 -10.90 1 14 1 2 14 1 15 3 -1 17 4 -1 16 5 -2 17 6 -2 18 7 -1 8 9 1 8 14 2 9 10 1 10 15 1 11 12 1 11 17 1 12 18 1 13 16 1 13 18 1 15 18 1 16 17 1', '18 18 C 19.89 -8.81 C 21.12 -10.90 C 14.97 -8.81 C 10.66 -13.51 O 10.15 -10.21 O 9.97 -12.31 O 13.76 -9.52 C 18.70 -10.90 C 17.42 -10.19 C 16.19 -10.90 C 12.54 -13.03 C 13.76 -12.31 C 12.54 -10.21 C 19.89 -10.21 C 14.97 -10.21 C 11.35 -10.90 C 11.35 -12.31 C 13.76 -10.90 1 14 1 2 14 1 15 3 -1 17 4 -1 16 5 -2 17 6 -2 18 7 -1 8 9 1 8 14 2 9 10 1 10 15 1 11 12 1 11 17 1 12 18 1 13 16 1 13 18 1 15 18 1 16 17 1', '18 18 C:18 19.89 -8.81 C:26 21.12 -10.90 C:14 14.97 -8.81 C:28 10.66 -13.51 O 10.15 -10.21 O 9.97 -12.31 O 13.76 -9.52 C:124 18.70 -10.90 C:27 17.42 -10.19 C:34 16.19 -10.90 C:31 12.54 -13.03 C:29 13.76 -12.31 C:30 12.54 -10.21 C:132 19.89 -10.21 C:44 14.97 -10.21 C:75 11.35 -10.90 C:72 11.35 -12.31 C:76 13.76 -10.90 1 14 1 2 14 1 15 3 -1 17 4 -1 16 5 -2 17 6 -2 18 7 -1 8 9 1 8 14 2 9 10 1 10 15 1 11 12 1 11 17 1 12 18 1 13 16 1 13 18 1 15 18 1 16 17 1', 'C15H28O3', 256.159, 'C', 'hca02_1909_2', 387, '', '', '1', 8, NULL, NULL),
(8631, '', '1R*,2S*,4R*,5S*)-4-(acetyloxy)-2-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-5-methylcyclohexyl (2Z)-2-methylbut-2-enoate', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:1004][CH:1003]=[C:1002]([CH3:1005])[C:1001](=O)O[C@@H:1]1[CH2:2][C@H:3]([CH3:15])[C@H:4](O[C:4001]([CH3:4002])=O)[CH2:5][C@H:6]1[CH:7]([CH3:14])[CH2:8][CH:9]([CH:10]=[C:11]([CH3:12])[CH3:13])O[C:9001]([CH3:9002])=O', 'CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@H]1C(C)CC(C=C(C)C)OC(C)=O', '[CH3:16][CH:138]=[C:128]([CH3:21])[C:168](=O)O[C@@H:73]1[CH2:35][C@H:34]([CH3:18])[C@H:72](O[C:171]([CH3:21])=O)[CH2:28][C@H:39]1[CH:27]([CH3:14])[CH2:40][CH:69]([CH:124]=[C:137]([CH3:19])[CH3:26])O[C:170]([CH3:21])=O', '30 30 C:1004 14.30 -6.59 C:12 18.09 -12.83 C:13 20.49 -12.83 C:9002 19.30 -6.59 C:4002 14.30 -16.36 C:1005 10.68 -5.89 C:15 10.68 -12.89 C:14 15.59 -8.66 O 20.49 -8.69 O 15.52 -14.28 O 10.68 -8.69 C:1003 13.10 -5.89 C:10 19.30 -10.75 C:8 16.82 -10.75 C:2 11.92 -10.75 C:5 14.30 -12.17 O 18.09 -8.66 O 13.10 -14.28 O 13.10 -8.66 C:11 19.30 -12.17 C:9001 19.30 -7.97 C:4001 14.30 -14.98 C:1002 11.92 -6.59 C:1001 11.92 -7.97 C:3 11.92 -12.17 C:7 15.59 -10.04 C:9 18.09 -10.04 C:4 13.10 -12.89 C:1 13.10 -10.04 C:6 14.30 -10.75 1 12 1 2 20 1 3 20 1 4 21 1 5 22 1 6 23 1 25 7 -1 8 26 1 9 21 2 10 22 2 11 24 2 12 23 2 13 20 2 13 27 1 14 26 1 14 27 1 15 25 1 15 29 1 16 28 1 16 30 1 17 21 1 17 27 1 18 22 1 28 18 -1 19 24 1 29 19 -1 23 24 1 25 28 1 30 26 -2 29 30 1', '30 30 C 14.30 -6.59 C 18.09 -12.83 C 20.49 -12.83 C 19.30 -6.59 C 14.30 -16.36 C 10.68 -5.89 C 10.68 -12.89 C 15.59 -8.66 O 20.49 -8.69 O 15.52 -14.28 O 10.68 -8.69 C 13.10 -5.89 C 19.30 -10.75 C 16.82 -10.75 C 11.92 -10.75 C 14.30 -12.17 O 18.09 -8.66 O 13.10 -14.28 O 13.10 -8.66 C 19.30 -12.17 C 19.30 -7.97 C 14.30 -14.98 C 11.92 -6.59 C 11.92 -7.97 C 11.92 -12.17 C 15.59 -10.04 C 18.09 -10.04 C 13.10 -12.89 C 13.10 -10.04 C 14.30 -10.75 1 12 1 2 20 1 3 20 1 4 21 1 5 22 1 6 23 1 25 7 -1 8 26 1 9 21 2 10 22 2 11 24 2 12 23 2 13 20 2 13 27 1 14 26 1 14 27 1 15 25 1 15 29 1 16 28 1 16 30 1 17 21 1 17 27 1 18 22 1 28 18 -1 19 24 1 29 19 -1 23 24 1 25 28 1 30 26 -2 29 30 1', '30 30 C:16 14.30 -6.59 C:19 18.09 -12.83 C:26 20.49 -12.83 C:21 19.30 -6.59 C:21 14.30 -16.36 C:21 10.68 -5.89 C:18 10.68 -12.89 C:14 15.59 -8.66 O 20.49 -8.69 O 15.52 -14.28 O 10.68 -8.69 C:138 13.10 -5.89 C:124 19.30 -10.75 C:40 16.82 -10.75 C:35 11.92 -10.75 C:28 14.30 -12.17 O 18.09 -8.66 O 13.10 -14.28 O 13.10 -8.66 C:137 19.30 -12.17 C:170 19.30 -7.97 C:171 14.30 -14.98 C:128 11.92 -6.59 C:168 11.92 -7.97 C:34 11.92 -12.17 C:27 15.59 -10.04 C:69 18.09 -10.04 C:72 13.10 -12.89 C:73 13.10 -10.04 C:39 14.30 -10.75 1 12 1 2 20 1 3 20 1 4 21 1 5 22 1 6 23 1 25 7 -1 8 26 1 9 21 2 10 22 2 11 24 2 12 23 2 13 20 2 13 27 1 14 26 1 14 27 1 15 25 1 15 29 1 16 28 1 16 30 1 17 21 1 17 27 1 18 22 1 28 18 -1 19 24 1 29 19 -1 23 24 1 25 28 1 30 26 -2 29 30 1', 'C24H38O6', 422.253, 'C', 'hca02_2982_1', 387, '', '', '1', 8, NULL, NULL),
(8632, '', '(1R*,4S*,6R*)-4-(acetyloxy)-6-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-3-methylcyclohex-2-en-1-yl (2Z)-2-methylbut-2-enoate', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:1004][CH:1003]=[C:1002]([CH3:1005])[C:1001](=O)O[C@@H:1]1[CH:2]=[C:3]([CH3:15])[C@H:4](O[C:4001]([CH3:4002])=O)[CH2:5][C@H:6]1[CH:7]([CH3:14])[CH2:8][CH:9]([CH:10]=[C:11]([CH3:13])[CH3:12])O[C:9001]([CH3:9002])=O', 'CC=C(C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@H]1C(C)CC(C=C(C)C)OC(C)=O', '[CH3:16][CH:138]=[C:128]([CH3:20])[C:168](=O)O[C@@H:70]1[CH:129]=[C:135]([CH3:20])[C@H:69](O[C:171]([CH3:21])=O)[CH2:26][C@H:37]1[CH:27]([CH3:15])[CH2:39][CH:69]([CH:124]=[C:138]([CH3:25])[CH3:18])O[C:170]([CH3:21])=O', '30 30 C:1004 14.25 -6.59 C:13 20.45 -12.84 C:12 18.04 -12.84 C:9002 19.25 -6.59 C:4002 14.25 -16.37 C:1005 10.63 -5.89 C:15 10.63 -12.90 C:14 15.54 -8.66 O 20.45 -8.69 O 15.47 -14.29 O 10.63 -8.69 C:1003 13.05 -5.89 C:10 19.25 -10.76 C:2 11.87 -10.76 C:8 16.77 -10.76 C:5 14.25 -12.18 O 18.04 -8.69 O 13.05 -14.29 O 13.05 -8.66 C:11 19.25 -12.18 C:9001 19.25 -7.98 C:4001 14.25 -14.99 C:1002 11.87 -6.59 C:3 11.87 -12.18 C:1001 11.87 -7.98 C:7 15.54 -10.05 C:9 18.04 -10.05 C:1 13.05 -10.05 C:4 13.05 -12.90 C:6 14.25 -10.76 1 12 1 2 20 1 3 20 1 4 21 1 5 22 1 6 23 1 7 24 1 8 26 1 9 21 2 10 22 2 11 25 2 12 23 2 13 20 2 13 27 1 14 24 2 14 28 1 15 26 1 15 27 1 16 29 1 16 30 1 17 21 1 17 27 1 18 22 1 29 18 -1 19 25 1 28 19 -1 23 25 1 24 29 1 30 26 -2 28 30 1', '30 30 C 14.25 -6.59 C 20.45 -12.84 C 18.04 -12.84 C 19.25 -6.59 C 14.25 -16.37 C 10.63 -5.89 C 10.63 -12.90 C 15.54 -8.66 O 20.45 -8.69 O 15.47 -14.29 O 10.63 -8.69 C 13.05 -5.89 C 19.25 -10.76 C 11.87 -10.76 C 16.77 -10.76 C 14.25 -12.18 O 18.04 -8.69 O 13.05 -14.29 O 13.05 -8.66 C 19.25 -12.18 C 19.25 -7.98 C 14.25 -14.99 C 11.87 -6.59 C 11.87 -12.18 C 11.87 -7.98 C 15.54 -10.05 C 18.04 -10.05 C 13.05 -10.05 C 13.05 -12.90 C 14.25 -10.76 1 12 1 2 20 1 3 20 1 4 21 1 5 22 1 6 23 1 7 24 1 8 26 1 9 21 2 10 22 2 11 25 2 12 23 2 13 20 2 13 27 1 14 24 2 14 28 1 15 26 1 15 27 1 16 29 1 16 30 1 17 21 1 17 27 1 18 22 1 29 18 -1 19 25 1 28 19 -1 23 25 1 24 29 1 30 26 -2 28 30 1', '30 30 C:16 14.25 -6.59 C:25 20.45 -12.84 C:18 18.04 -12.84 C:21 19.25 -6.59 C:21 14.25 -16.37 C:20 10.63 -5.89 C:20 10.63 -12.90 C:15 15.54 -8.66 O 20.45 -8.69 O 15.47 -14.29 O 10.63 -8.69 C:138 13.05 -5.89 C:124 19.25 -10.76 C:129 11.87 -10.76 C:39 16.77 -10.76 C:26 14.25 -12.18 O 18.04 -8.69 O 13.05 -14.29 O 13.05 -8.66 C:138 19.25 -12.18 C:170 19.25 -7.98 C:171 14.25 -14.99 C:128 11.87 -6.59 C:135 11.87 -12.18 C:168 11.87 -7.98 C:27 15.54 -10.05 C:69 18.04 -10.05 C:70 13.05 -10.05 C:69 13.05 -12.90 C:37 14.25 -10.76 1 12 1 2 20 1 3 20 1 4 21 1 5 22 1 6 23 1 7 24 1 8 26 1 9 21 2 10 22 2 11 25 2 12 23 2 13 20 2 13 27 1 14 24 2 14 28 1 15 26 1 15 27 1 16 29 1 16 30 1 17 21 1 17 27 1 18 22 1 29 18 -1 19 25 1 28 19 -1 23 25 1 24 29 1 30 26 -2 28 30 1', 'C24H36O6', 420.253, 'C', 'hca02_2982_2', 387, '', '', '1', 8, NULL, NULL),
(8633, '', '3-Methyl-1-{2-[(1R*,2R*,5R*,6S*)-2,5,6-tris(acetyloxy)-4-methylcyclohex-3-en-1-yl]propyl}but-2-enyl (2Z)-2-methylbut-2-enoate', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@:6]1([C@@H:7]([CH3:14])[CH2:8][CH:9]([CH:10]=[C:11]([CH3:13])[CH3:12])O[C:9001](=O)[C:9002]([CH3:9005])=[CH:9003][CH3:9004])[C@H:1](O[C:1001]([CH3:1002])=O)[CH:2]=[C:3]([CH3:15])[C@H:4](O[C:4001]([CH3:4002])=O)[C@@H:5]1O[C:5001]([CH3:5002])=O', '[H][C@]1([C@@H](C)CC(C=C(C)C)OC(=O)C(C)=CC)[C@H](OC(C)=O)C=C(C)[C@H](OC(C)=O)[C@@H]1OC(C)=O', '[H][C@:41]1([C@@H:28]([CH3:16])[CH2:41][CH:70]([CH:124]=[C:138]([CH3:26])[CH3:19])O[C:168](=O)[C:128]([CH3:21])=[CH:139][CH3:16])[C@H:70](O[C:170]([CH3:21])=O)[CH:128]=[C:133]([CH3:20])[C@H:69](O[C:170]([CH3:21])=O)[C@@H:69]1O[C:170]([CH3:21])=O', '35 35 H 14.25 -9.75 C:9004 16.89 -6.54 C:13 20.53 -12.86 C:12 18.11 -12.86 C:1002 11.85 -6.53 C:4002 11.85 -16.43 C:5002 16.70 -15.01 C:9005 20.53 -5.84 C:15 10.63 -12.92 C:14 15.57 -8.64 O 10.63 -8.66 O 10.63 -14.31 O 14.25 -15.01 O 20.53 -8.67 C:9003 18.11 -5.84 C:10 19.33 -10.76 C:2 11.85 -10.76 C:8 16.82 -10.76 O 13.06 -8.64 O 13.06 -14.31 O 15.47 -12.92 O 18.11 -8.66 C:11 19.33 -12.19 C:1001 11.85 -7.94 C:4001 11.85 -15.01 C:5001 15.47 -14.31 C:9002 19.33 -6.54 C:3 11.85 -12.19 C:9001 19.33 -7.96 C:7 15.57 -10.04 C:9 18.11 -10.04 C:1 13.06 -10.04 C:4 13.06 -12.92 C:5 14.25 -12.19 C:6 14.25 -10.76 35 1 -1 2 15 1 3 23 1 4 23 1 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 30 10 -1 11 24 2 12 25 2 13 26 2 14 29 2 15 27 2 16 23 2 16 31 1 17 28 2 17 32 1 18 30 1 18 31 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 34 21 -1 22 29 1 22 31 1 27 29 1 28 33 1 30 35 1 32 35 1 33 34 1 34 35 1', '35 35 H 14.25 -9.75 C 16.89 -6.54 C 20.53 -12.86 C 18.11 -12.86 C 11.85 -6.53 C 11.85 -16.43 C 16.70 -15.01 C 20.53 -5.84 C 10.63 -12.92 C 15.57 -8.64 O 10.63 -8.66 O 10.63 -14.31 O 14.25 -15.01 O 20.53 -8.67 C 18.11 -5.84 C 19.33 -10.76 C 11.85 -10.76 C 16.82 -10.76 O 13.06 -8.64 O 13.06 -14.31 O 15.47 -12.92 O 18.11 -8.66 C 19.33 -12.19 C 11.85 -7.94 C 11.85 -15.01 C 15.47 -14.31 C 19.33 -6.54 C 11.85 -12.19 C 19.33 -7.96 C 15.57 -10.04 C 18.11 -10.04 C 13.06 -10.04 C 13.06 -12.92 C 14.25 -12.19 C 14.25 -10.76 35 1 -1 2 15 1 3 23 1 4 23 1 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 30 10 -1 11 24 2 12 25 2 13 26 2 14 29 2 15 27 2 16 23 2 16 31 1 17 28 2 17 32 1 18 30 1 18 31 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 34 21 -1 22 29 1 22 31 1 27 29 1 28 33 1 30 35 1 32 35 1 33 34 1 34 35 1', '35 35 H 14.25 -9.75 C:16 16.89 -6.54 C:26 20.53 -12.86 C:19 18.11 -12.86 C:21 11.85 -6.53 C:21 11.85 -16.43 C:21 16.70 -15.01 C:21 20.53 -5.84 C:20 10.63 -12.92 C:16 15.57 -8.64 O 10.63 -8.66 O 10.63 -14.31 O 14.25 -15.01 O 20.53 -8.67 C:139 18.11 -5.84 C:124 19.33 -10.76 C:128 11.85 -10.76 C:41 16.82 -10.76 O 13.06 -8.64 O 13.06 -14.31 O 15.47 -12.92 O 18.11 -8.66 C:138 19.33 -12.19 C:170 11.85 -7.94 C:170 11.85 -15.01 C:170 15.47 -14.31 C:128 19.33 -6.54 C:133 11.85 -12.19 C:168 19.33 -7.96 C:28 15.57 -10.04 C:70 18.11 -10.04 C:70 13.06 -10.04 C:69 13.06 -12.92 C:69 14.25 -12.19 C:41 14.25 -10.76 35 1 -1 2 15 1 3 23 1 4 23 1 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 30 10 -1 11 24 2 12 25 2 13 26 2 14 29 2 15 27 2 16 23 2 16 31 1 17 28 2 17 32 1 18 30 1 18 31 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 34 21 -1 22 29 1 22 31 1 27 29 1 28 33 1 30 35 1 32 35 1 33 34 1 34 35 1', 'C26H38O8', 478.281, 'C', 'hca02_2982_3', 387, '', '', '1', 8, NULL, NULL),
(8634, '', '3-Methyl-1-{2-[(1R*,2R*,5R*,6S*)-2,5,6-tris(acetyloxy)-4-methylcyclohex-3-en-1-yl]propyl}but-2-enyl (2Z)-2-methylbut-2-enoate', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@:6]1([C@H:7]([CH3:14])[CH2:8][CH:9]([CH:10]=[C:11]([CH3:13])[CH3:12])O[C:9001](=O)[C:9002]([CH3:9005])=[CH:9003][CH3:9004])[C@H:1](O[C:1001]([CH3:1002])=O)[CH:2]=[C:3]([CH3:15])[C@H:4](O[C:4001]([CH3:4002])=O)[C@@H:5]1O[C:5001]([CH3:5002])=O', '[H][C@]1([C@H](C)CC(C=C(C)C)OC(=O)C(C)=CC)[C@H](OC(C)=O)C=C(C)[C@H](OC(C)=O)[C@@H]1OC(C)=O', '[H][C@:41]1([C@H:27]([CH3:15])[CH2:41][CH:70]([CH:124]=[C:137]([CH3:26])[CH3:19])O[C:168](=O)[C:128]([CH3:21])=[CH:139][CH3:16])[C@H:70](O[C:171]([CH3:21])=O)[CH:128]=[C:133]([CH3:20])[C@H:69](O[C:170]([CH3:21])=O)[C@@H:69]1O[C:171]([CH3:21])=O', '35 35 H 14.25 -9.75 C:9004 16.89 -6.54 C:13 20.53 -12.86 C:12 18.11 -12.86 C:1002 11.85 -6.53 C:4002 11.85 -16.43 C:5002 16.70 -15.01 C:9005 20.53 -5.84 C:15 10.63 -12.92 C:14 15.57 -8.64 O 10.63 -8.66 O 10.63 -14.31 O 14.25 -15.01 O 20.53 -8.67 C:9003 18.11 -5.84 C:10 19.33 -10.76 C:2 11.85 -10.76 C:8 16.82 -10.76 O 13.06 -8.64 O 13.06 -14.31 O 15.47 -12.92 O 18.11 -8.66 C:11 19.33 -12.19 C:1001 11.85 -7.94 C:4001 11.85 -15.01 C:5001 15.47 -14.31 C:9002 19.33 -6.54 C:3 11.85 -12.19 C:9001 19.33 -7.96 C:7 15.57 -10.04 C:9 18.11 -10.04 C:1 13.06 -10.04 C:4 13.06 -12.92 C:5 14.25 -12.19 C:6 14.25 -10.76 35 1 -1 2 15 1 3 23 1 4 23 1 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 30 10 -2 11 24 2 12 25 2 13 26 2 14 29 2 15 27 2 16 23 2 16 31 1 17 28 2 17 32 1 18 30 1 18 31 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 34 21 -1 22 29 1 22 31 1 27 29 1 28 33 1 30 35 1 32 35 1 33 34 1 34 35 1', '35 35 H 14.25 -9.75 C 16.89 -6.54 C 20.53 -12.86 C 18.11 -12.86 C 11.85 -6.53 C 11.85 -16.43 C 16.70 -15.01 C 20.53 -5.84 C 10.63 -12.92 C 15.57 -8.64 O 10.63 -8.66 O 10.63 -14.31 O 14.25 -15.01 O 20.53 -8.67 C 18.11 -5.84 C 19.33 -10.76 C 11.85 -10.76 C 16.82 -10.76 O 13.06 -8.64 O 13.06 -14.31 O 15.47 -12.92 O 18.11 -8.66 C 19.33 -12.19 C 11.85 -7.94 C 11.85 -15.01 C 15.47 -14.31 C 19.33 -6.54 C 11.85 -12.19 C 19.33 -7.96 C 15.57 -10.04 C 18.11 -10.04 C 13.06 -10.04 C 13.06 -12.92 C 14.25 -12.19 C 14.25 -10.76 35 1 -1 2 15 1 3 23 1 4 23 1 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 30 10 -2 11 24 2 12 25 2 13 26 2 14 29 2 15 27 2 16 23 2 16 31 1 17 28 2 17 32 1 18 30 1 18 31 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 34 21 -1 22 29 1 22 31 1 27 29 1 28 33 1 30 35 1 32 35 1 33 34 1 34 35 1', '35 35 H 14.25 -9.75 C:16 16.89 -6.54 C:26 20.53 -12.86 C:19 18.11 -12.86 C:21 11.85 -6.53 C:21 11.85 -16.43 C:21 16.70 -15.01 C:21 20.53 -5.84 C:20 10.63 -12.92 C:15 15.57 -8.64 O 10.63 -8.66 O 10.63 -14.31 O 14.25 -15.01 O 20.53 -8.67 C:139 18.11 -5.84 C:124 19.33 -10.76 C:128 11.85 -10.76 C:41 16.82 -10.76 O 13.06 -8.64 O 13.06 -14.31 O 15.47 -12.92 O 18.11 -8.66 C:137 19.33 -12.19 C:171 11.85 -7.94 C:170 11.85 -15.01 C:171 15.47 -14.31 C:128 19.33 -6.54 C:133 11.85 -12.19 C:168 19.33 -7.96 C:27 15.57 -10.04 C:70 18.11 -10.04 C:70 13.06 -10.04 C:69 13.06 -12.92 C:69 14.25 -12.19 C:41 14.25 -10.76 35 1 -1 2 15 1 3 23 1 4 23 1 5 24 1 6 25 1 7 26 1 8 27 1 9 28 1 30 10 -2 11 24 2 12 25 2 13 26 2 14 29 2 15 27 2 16 23 2 16 31 1 17 28 2 17 32 1 18 30 1 18 31 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 34 21 -1 22 29 1 22 31 1 27 29 1 28 33 1 30 35 1 32 35 1 33 34 1 34 35 1', 'C26H38O8', 478.281, 'C', 'hca02_2982_4', 387, '', '', '1', 8, NULL, NULL),
(8635, 'Sclerophytin A', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@:9]12[CH2:8][C@:7]([CH3:16])(O)[C@@H:6](O)[CH2:5][CH2:4][C@@:3]([CH3:15])(O)[C@:2]([H])(O1)[C@:1]3([H])[C@@H:14]([CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:12][C:11](=[CH2:17])[C@:10]23[H]', '[H][C@]12C[C@](C)(O)[C@@H](O)CC[C@@](C)(O)[C@]([H])(O1)[C@]3([H])[C@@H](C(C)C)CCC(=C)[C@]23[H]', '[H][C@:78]12[CH2:45][C@:77]([CH3:23])(O)[C@@H:80](O)[CH2:29][CH2:40][C@@:75]([CH3:30])(O)[C@:91]([H])(O1)[C@:45]3([H])[C@@H:44]([CH:29]([CH3:16])[CH3:22])[CH2:25][CH2:32][C:148](=[CH2:109])[C@:53]23[H]', '28 30 H 14.68 -8.83 H 14.68 -13.18 H 13.66 -9.28 H 13.66 -12.61 C:17 12.38 -7.96 C:19 11.18 -14.62 C:20 13.55 -14.62 C:16 17.70 -7.70 C:15 17.02 -14.09 O 20.07 -9.62 O 18.96 -8.32 O 15.51 -13.99 C:12 11.07 -10.20 C:13 11.07 -11.70 C:5 18.78 -11.70 C:4 17.80 -12.80 C:8 16.29 -9.11 O 16.05 -10.96 C:11 12.38 -9.45 C:18 12.38 -13.92 C:6 18.78 -10.20 C:14 12.38 -12.44 C:9 15.13 -9.70 C:7 17.80 -9.11 C:3 16.29 -12.80 C:2 15.13 -12.19 C:10 13.66 -10.20 C:1 13.66 -11.70 23 1 -2 26 2 -2 27 3 -1 28 4 -1 5 19 2 6 20 1 7 20 1 24 8 -1 25 9 -2 21 10 -1 24 11 -2 25 12 -1 13 14 1 13 19 1 14 22 1 15 16 1 15 21 1 16 25 1 17 23 1 17 24 1 18 23 1 18 26 1 19 27 1 22 20 -1 21 24 1 22 28 1 23 27 1 25 26 1 26 28 1 27 28 1', '28 30 H 14.68 -8.83 H 14.68 -13.18 H 13.66 -9.28 H 13.66 -12.61 C 12.38 -7.96 C 11.18 -14.62 C 13.55 -14.62 C 17.70 -7.70 C 17.02 -14.09 O 20.07 -9.62 O 18.96 -8.32 O 15.51 -13.99 C 11.07 -10.20 C 11.07 -11.70 C 18.78 -11.70 C 17.80 -12.80 C 16.29 -9.11 O 16.05 -10.96 C 12.38 -9.45 C 12.38 -13.92 C 18.78 -10.20 C 12.38 -12.44 C 15.13 -9.70 C 17.80 -9.11 C 16.29 -12.80 C 15.13 -12.19 C 13.66 -10.20 C 13.66 -11.70 23 1 -2 26 2 -2 27 3 -1 28 4 -1 5 19 2 6 20 1 7 20 1 24 8 -1 25 9 -2 21 10 -1 24 11 -2 25 12 -1 13 14 1 13 19 1 14 22 1 15 16 1 15 21 1 16 25 1 17 23 1 17 24 1 18 23 1 18 26 1 19 27 1 22 20 -1 21 24 1 22 28 1 23 27 1 25 26 1 26 28 1 27 28 1', '28 30 H 14.68 -8.83 H 14.68 -13.18 H 13.66 -9.28 H 13.66 -12.61 C:109 12.38 -7.96 C:16 11.18 -14.62 C:22 13.55 -14.62 C:23 17.70 -7.70 C:30 17.02 -14.09 O 20.07 -9.62 O 18.96 -8.32 O 15.51 -13.99 C:32 11.07 -10.20 C:25 11.07 -11.70 C:29 18.78 -11.70 C:40 17.80 -12.80 C:45 16.29 -9.11 O 16.05 -10.96 C:148 12.38 -9.45 C:29 12.38 -13.92 C:80 18.78 -10.20 C:44 12.38 -12.44 C:78 15.13 -9.70 C:77 17.80 -9.11 C:75 16.29 -12.80 C:91 15.13 -12.19 C:53 13.66 -10.20 C:45 13.66 -11.70 23 1 -2 26 2 -2 27 3 -1 28 4 -1 5 19 2 6 20 1 7 20 1 24 8 -1 25 9 -2 21 10 -1 24 11 -2 25 12 -1 13 14 1 13 19 1 14 22 1 15 16 1 15 21 1 16 25 1 17 23 1 17 24 1 18 23 1 18 26 1 19 27 1 22 20 -1 21 24 1 22 28 1 23 27 1 25 26 1 26 28 1 27 28 1', 'C20H34O4', 338.243, 'C', 'np02_126_5', 657, '', '', '1', 29, NULL, NULL),
(8636, 'Sclerophytin B', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@:9]12[CH2:8][C@:7]([CH3:16])(O)[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:5][CH2:4][C@@:3]([CH3:15])(O)[C@:2]([H])(O1)[C@:1]3([H])[C@@H:14]([CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:12][C:11](=[CH2:17])[C@:10]23[H]', '[H][C@]12C[C@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(O)[C@]([H])(O1)[C@]3([H])[C@@H](C(C)C)CCC(=C)[C@]23[H]', '[H][C@:78]12[CH2:46][C@:76]([CH3:24])(O)[C@@H:85](O[C:172]([CH3:22])=O)[CH2:28][CH2:40][C@@:75]([CH3:30])(O)[C@:91]([H])(O1)[C@:46]3([H])[C@@H:44]([CH:29]([CH3:16])[CH3:22])[CH2:25][CH2:32][C:148](=[CH2:109])[C@:53]23[H]', '31 33 H 13.45 -8.83 H 13.45 -13.18 H 12.43 -9.28 H 12.43 -12.61 C:17 11.15 -7.96 C:6002 21.25 -9.86 C:19 9.95 -14.62 C:20 12.32 -14.62 C:16 16.47 -7.70 C:15 15.79 -14.09 O 19.99 -11.84 O 17.73 -8.32 O 14.28 -13.99 C:12 9.84 -10.20 C:13 9.84 -11.70 C:5 17.55 -11.70 C:4 16.57 -12.80 C:8 15.06 -9.11 O 18.84 -9.62 O 14.82 -10.96 C:6001 19.99 -10.44 C:11 11.15 -9.45 C:18 11.15 -13.92 C:6 17.55 -10.20 C:14 11.15 -12.44 C:9 13.90 -9.70 C:7 16.57 -9.11 C:3 15.06 -12.80 C:2 13.90 -12.19 C:10 12.43 -10.20 C:1 12.43 -11.70 26 1 -2 29 2 -2 30 3 -1 31 4 -1 5 22 2 6 21 1 7 23 1 8 23 1 27 9 -1 28 10 -2 11 21 2 27 12 -2 28 13 -1 14 15 1 14 22 1 15 25 1 16 17 1 16 24 1 17 28 1 18 26 1 18 27 1 19 21 1 24 19 -1 20 26 1 20 29 1 22 30 1 25 23 -1 24 27 1 25 31 1 26 30 1 28 29 1 29 31 1 30 31 1', '31 33 H 13.45 -8.83 H 13.45 -13.18 H 12.43 -9.28 H 12.43 -12.61 C 11.15 -7.96 C 21.25 -9.86 C 9.95 -14.62 C 12.32 -14.62 C 16.47 -7.70 C 15.79 -14.09 O 19.99 -11.84 O 17.73 -8.32 O 14.28 -13.99 C 9.84 -10.20 C 9.84 -11.70 C 17.55 -11.70 C 16.57 -12.80 C 15.06 -9.11 O 18.84 -9.62 O 14.82 -10.96 C 19.99 -10.44 C 11.15 -9.45 C 11.15 -13.92 C 17.55 -10.20 C 11.15 -12.44 C 13.90 -9.70 C 16.57 -9.11 C 15.06 -12.80 C 13.90 -12.19 C 12.43 -10.20 C 12.43 -11.70 26 1 -2 29 2 -2 30 3 -1 31 4 -1 5 22 2 6 21 1 7 23 1 8 23 1 27 9 -1 28 10 -2 11 21 2 27 12 -2 28 13 -1 14 15 1 14 22 1 15 25 1 16 17 1 16 24 1 17 28 1 18 26 1 18 27 1 19 21 1 24 19 -1 20 26 1 20 29 1 22 30 1 25 23 -1 24 27 1 25 31 1 26 30 1 28 29 1 29 31 1 30 31 1', '31 33 H 13.45 -8.83 H 13.45 -13.18 H 12.43 -9.28 H 12.43 -12.61 C:109 11.15 -7.96 C:22 21.25 -9.86 C:16 9.95 -14.62 C:22 12.32 -14.62 C:24 16.47 -7.70 C:30 15.79 -14.09 O 19.99 -11.84 O 17.73 -8.32 O 14.28 -13.99 C:32 9.84 -10.20 C:25 9.84 -11.70 C:28 17.55 -11.70 C:40 16.57 -12.80 C:46 15.06 -9.11 O 18.84 -9.62 O 14.82 -10.96 C:172 19.99 -10.44 C:148 11.15 -9.45 C:29 11.15 -13.92 C:85 17.55 -10.20 C:44 11.15 -12.44 C:78 13.90 -9.70 C:76 16.57 -9.11 C:75 15.06 -12.80 C:91 13.90 -12.19 C:53 12.43 -10.20 C:46 12.43 -11.70 26 1 -2 29 2 -2 30 3 -1 31 4 -1 5 22 2 6 21 1 7 23 1 8 23 1 27 9 -1 28 10 -2 11 21 2 27 12 -2 28 13 -1 14 15 1 14 22 1 15 25 1 16 17 1 16 24 1 17 28 1 18 26 1 18 27 1 19 21 1 24 19 -1 20 26 1 20 29 1 22 30 1 25 23 -1 24 27 1 25 31 1 26 30 1 28 29 1 29 31 1 30 31 1', 'C22H36O5', 380.264, 'C', 'np02_126_6', 657, '', '', '1', 29, 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
(8652, 'Briarellin P', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@:9]14[CH2:8][C@@:7]([CH3:16])(O)[C@H:6](O[CH3:6001])[CH2:5][CH2:4][C@:3]3([CH3:15])O[C:20](=O)[C@H:18]([CH3:19])[C@:14]2([H])[CH2:13][CH2:12][C@@:11]([CH3:17])(O[C:11001](=O)[CH2:11101][CH2:11102][CH3:11103])[C@:10]1([H])[C@@:1]2([H])[C@:2]3([H])O4', '[H][C@]14C[C@@](C)(O)[C@H](OC)CC[C@]3(C)OC(=O)[C@H](C)[C@]2([H])CC[C@@](C)(OC(=O)CCC)[C@]1([H])[C@@]2([H])[C@]3([H])O4', '[H][C@:79]14[CH2:46][C@@:76]([CH3:23])(O)[C@H:89](O[CH3:57])[CH2:26][CH2:36][C@:86]3([CH3:23])O[C:176](=O)[C@H:46]([CH3:18])[C@:38]2([H])[CH2:17][CH2:30][C@@:82]([CH3:29])(O[C:172](=O)[CH2:37][CH2:18][CH3:14])[C@:55]1([H])[C@@:45]2([H])[C@:96]3([H])O4', '37 40 H 15.94 -9.05 H 12.80 -13.11 H 15.94 -13.38 H 14.91 -9.54 H 14.91 -12.81 C:11103 8.73 -6.05 C:6001 22.37 -10.82 C:19 12.34 -14.54 C:16 20.16 -8.56 C:15 17.71 -15.00 C:17 14.35 -8.48 O 10.83 -9.69 O 13.88 -16.22 O 18.92 -7.94 C:11102 9.43 -7.27 C:11101 10.83 -7.27 C:5 19.98 -11.94 C:4 18.79 -13.19 C:13 12.34 -11.94 C:12 12.34 -10.44 C:8 17.50 -9.33 O 21.28 -9.94 O 12.93 -8.48 O 16.17 -14.90 O 17.27 -11.19 C:11001 11.53 -8.48 C:20 14.59 -15.00 C:18 13.63 -14.01 C:6 19.98 -10.44 C:7 19.01 -9.33 C:9 16.36 -9.94 C:14 13.63 -12.67 C:3 17.03 -13.77 C:11 13.63 -9.69 C:2 16.36 -12.40 C:10 14.91 -10.44 C:1 14.91 -11.94 31 1 -1 32 2 -1 35 3 -1 36 4 -2 37 5 -2 6 15 1 7 22 1 28 8 -2 30 9 -2 33 10 -1 34 11 -2 12 26 2 13 27 2 30 14 -1 15 16 1 16 26 1 17 18 1 17 29 1 18 33 1 19 20 1 19 32 1 20 34 1 21 30 1 21 31 1 29 22 -2 23 26 1 34 23 -1 24 27 1 24 33 1 25 31 1 25 35 1 27 28 1 28 32 1 29 30 1 31 36 1 32 37 1 33 35 1 34 36 1 35 37 1 36 37 1', '37 40 H 15.94 -9.05 H 12.80 -13.11 H 15.94 -13.38 H 14.91 -9.54 H 14.91 -12.81 C 8.73 -6.05 C 22.37 -10.82 C 12.34 -14.54 C 20.16 -8.56 C 17.71 -15.00 C 14.35 -8.48 O 10.83 -9.69 O 13.88 -16.22 O 18.92 -7.94 C 9.43 -7.27 C 10.83 -7.27 C 19.98 -11.94 C 18.79 -13.19 C 12.34 -11.94 C 12.34 -10.44 C 17.50 -9.33 O 21.28 -9.94 O 12.93 -8.48 O 16.17 -14.90 O 17.27 -11.19 C 11.53 -8.48 C 14.59 -15.00 C 13.63 -14.01 C 19.98 -10.44 C 19.01 -9.33 C 16.36 -9.94 C 13.63 -12.67 C 17.03 -13.77 C 13.63 -9.69 C 16.36 -12.40 C 14.91 -10.44 C 14.91 -11.94 31 1 -1 32 2 -1 35 3 -1 36 4 -2 37 5 -2 6 15 1 7 22 1 28 8 -2 30 9 -2 33 10 -1 34 11 -2 12 26 2 13 27 2 30 14 -1 15 16 1 16 26 1 17 18 1 17 29 1 18 33 1 19 20 1 19 32 1 20 34 1 21 30 1 21 31 1 29 22 -2 23 26 1 34 23 -1 24 27 1 24 33 1 25 31 1 25 35 1 27 28 1 28 32 1 29 30 1 31 36 1 32 37 1 33 35 1 34 36 1 35 37 1 36 37 1', '37 40 H 15.94 -9.05 H 12.80 -13.11 H 15.94 -13.38 H 14.91 -9.54 H 14.91 -12.81 C:14 8.73 -6.05 C:57 22.37 -10.82 C:18 12.34 -14.54 C:23 20.16 -8.56 C:23 17.71 -15.00 C:29 14.35 -8.48 O 10.83 -9.69 O 13.88 -16.22 O 18.92 -7.94 C:18 9.43 -7.27 C:37 10.83 -7.27 C:26 19.98 -11.94 C:36 18.79 -13.19 C:17 12.34 -11.94 C:30 12.34 -10.44 C:46 17.50 -9.33 O 21.28 -9.94 O 12.93 -8.48 O 16.17 -14.90 O 17.27 -11.19 C:172 11.53 -8.48 C:176 14.59 -15.00 C:46 13.63 -14.01 C:89 19.98 -10.44 C:76 19.01 -9.33 C:79 16.36 -9.94 C:38 13.63 -12.67 C:86 17.03 -13.77 C:82 13.63 -9.69 C:96 16.36 -12.40 C:55 14.91 -10.44 C:45 14.91 -11.94 31 1 -1 32 2 -1 35 3 -1 36 4 -2 37 5 -2 6 15 1 7 22 1 28 8 -2 30 9 -2 33 10 -1 34 11 -2 12 26 2 13 27 2 30 14 -1 15 16 1 16 26 1 17 18 1 17 29 1 18 33 1 19 20 1 19 32 1 20 34 1 21 30 1 21 31 1 29 22 -2 23 26 1 34 23 -1 24 27 1 24 33 1 25 31 1 25 35 1 27 28 1 28 32 1 29 30 1 31 36 1 32 37 1 33 35 1 34 36 1 35 37 1 36 37 1', 'C25H40O7', 452.303, 'C', 'np03_357_9', 1729, '', '', '1', 29, NULL, NULL),
(8653, 'Polyanthellin A', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@:9]23[CH2:8][C@@:7]1([CH3:16])[CH2:6][CH2:5][CH2:4][C@:3]([CH3:15])(O1)[C@:2]([H])(O2)[C@@:1]4([H])[C@H:14]([CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:12][C@:11]([CH3:17])(O[C:11001]([CH3:11002])=O)[C@@:10]34[H]', '[H][C@]23C[C@@]1(C)CCC[C@](C)(O1)[C@]([H])(O2)[C@@]4([H])[C@H](C(C)C)CC[C@](C)(OC(C)=O)[C@@]34[H]', '[H][C@:77]23[CH2:48][C@@:74]1([CH3:36])[CH2:40][CH2:18][CH2:36][C@:76]([CH3:28])(O1)[C@:94]([H])(O2)[C@@:42]4([H])[C@H:42]([CH:30]([CH3:16])[CH3:22])[CH2:18][CH2:30][C@:83]([CH3:24])(O[C:170]([CH3:23])=O)[C@@:51]34[H]', '30 33 H 16.10 -9.24 H 16.10 -13.45 H 15.11 -12.90 H 15.11 -9.68 C:11002 11.07 -7.40 C:19 12.70 -14.84 C:20 15.00 -14.88 C:16 19.72 -8.31 C:15 17.38 -14.44 C:17 14.57 -8.64 O 11.07 -9.84 C:5 20.07 -12.05 C:13 12.60 -12.02 C:6 20.07 -10.56 C:4 19.13 -13.08 C:12 12.60 -10.57 C:8 17.66 -9.51 O 13.17 -8.63 O 19.13 -11.54 O 17.38 -11.31 C:11001 11.78 -8.63 C:18 13.87 -14.15 C:14 13.87 -12.73 C:7 19.13 -9.51 C:9 16.53 -10.09 C:3 17.66 -13.08 C:11 13.87 -9.85 C:2 16.53 -12.50 C:1 15.11 -12.02 C:10 15.11 -10.57 25 1 -2 28 2 -2 29 3 -2 30 4 -2 5 21 1 6 22 1 7 22 1 24 8 -2 26 9 -2 27 10 -1 11 21 2 12 14 1 12 15 1 13 16 1 13 23 1 14 24 1 15 26 1 16 27 1 17 24 1 17 25 1 18 21 1 27 18 -2 19 24 1 19 26 1 20 25 1 20 28 1 23 22 -2 23 29 1 25 30 1 26 28 1 27 30 1 28 29 1 29 30 1', '30 33 H 16.10 -9.24 H 16.10 -13.45 H 15.11 -12.90 H 15.11 -9.68 C 11.07 -7.40 C 12.70 -14.84 C 15.00 -14.88 C 19.72 -8.31 C 17.38 -14.44 C 14.57 -8.64 O 11.07 -9.84 C 20.07 -12.05 C 12.60 -12.02 C 20.07 -10.56 C 19.13 -13.08 C 12.60 -10.57 C 17.66 -9.51 O 13.17 -8.63 O 19.13 -11.54 O 17.38 -11.31 C 11.78 -8.63 C 13.87 -14.15 C 13.87 -12.73 C 19.13 -9.51 C 16.53 -10.09 C 17.66 -13.08 C 13.87 -9.85 C 16.53 -12.50 C 15.11 -12.02 C 15.11 -10.57 25 1 -2 28 2 -2 29 3 -2 30 4 -2 5 21 1 6 22 1 7 22 1 24 8 -2 26 9 -2 27 10 -1 11 21 2 12 14 1 12 15 1 13 16 1 13 23 1 14 24 1 15 26 1 16 27 1 17 24 1 17 25 1 18 21 1 27 18 -2 19 24 1 19 26 1 20 25 1 20 28 1 23 22 -2 23 29 1 25 30 1 26 28 1 27 30 1 28 29 1 29 30 1', '30 33 H 16.10 -9.24 H 16.10 -13.45 H 15.11 -12.90 H 15.11 -9.68 C:23 11.07 -7.40 C:16 12.70 -14.84 C:22 15.00 -14.88 C:36 19.72 -8.31 C:28 17.38 -14.44 C:24 14.57 -8.64 O 11.07 -9.84 C:18 20.07 -12.05 C:18 12.60 -12.02 C:40 20.07 -10.56 C:36 19.13 -13.08 C:30 12.60 -10.57 C:48 17.66 -9.51 O 13.17 -8.63 O 19.13 -11.54 O 17.38 -11.31 C:170 11.78 -8.63 C:30 13.87 -14.15 C:42 13.87 -12.73 C:74 19.13 -9.51 C:77 16.53 -10.09 C:76 17.66 -13.08 C:83 13.87 -9.85 C:94 16.53 -12.50 C:42 15.11 -12.02 C:51 15.11 -10.57 25 1 -2 28 2 -2 29 3 -2 30 4 -2 5 21 1 6 22 1 7 22 1 24 8 -2 26 9 -2 27 10 -1 11 21 2 12 14 1 12 15 1 13 16 1 13 23 1 14 24 1 15 26 1 16 27 1 17 24 1 17 25 1 18 21 1 27 18 -2 19 24 1 19 26 1 20 25 1 20 28 1 23 22 -2 23 29 1 25 30 1 26 28 1 27 30 1 28 29 1 29 30 1', 'C22H36O4', 364.265, 'C', 'np03_357_10', 1729, '', '', '1', 29, NULL, NULL),
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