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
(2736, 'Lycernuic acid C', '', 'Terpenoids', 'Triterpenoids', 'Serratanes', '[H][C@:9]34[CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([CH3:28])[CH2:19][CH2:20][C@@H:21](O)[C@:22]([CH3:30])([CH2:29]O)[C@:17]1([H])[CH2:16][C@H:15](O)[C@@:14]2(O)[CH2:27][C@:8]3([CH3:26])[CH2:7][CH2:6][C@:5]5([H])[C@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]5([CH3:23])[C:24](=O)O', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@@H](O)[C@](C)(CO)[C@]1([H])C[C@H](O)[C@@]2(O)C[C@]3(C)CC[C@]5([H])[C@]4(C)CC[C@H](O)[C@]5(C)C(=O)O', '[H][C@:60]34[CH2:26][CH2:27][C@:59]2([H])[C@@:39]1([CH3:17])[CH2:34][CH2:27][C@@H:70](O)[C@:44]([CH3:24])([CH2:66]O)[C@:47]1([H])[CH2:28][C@H:77](O)[C@@:78]2(O)[CH2:54][C@:38]3([CH3:23])[CH2:45][CH2:22][C@:57]5([H])[C@:39]4([CH3:15])[CH2:39][CH2:30][C@H:78](O)[C@:50]5([CH3:25])[C:184](=O)O', '41 45 H 17.84 -11.92 H 21.47 -6.54 H 16.55 -14.14 H 19.45 -7.66 C:26 19.11 -10.24 C:30 23.89 -5.24 C:25 16.55 -10.24 C:28 21.46 -8.52 C:23 16.13 -15.15 O 12.92 -15.25 O 25.08 -6.68 O 14.77 -16.52 O 22.49 -3.53 O 12.83 -13.93 O 21.77 -10.86 C:29 23.71 -6.96 C:20 20.48 -4.89 C:2 14.02 -11.70 C:7 19.11 -13.20 C:1 15.27 -10.97 C:19 19.85 -6.17 C:11 17.63 -9.58 C:6 17.84 -13.93 C:12 18.61 -8.53 C:16 22.89 -8.42 C:27 20.43 -11.17 C:24 14.31 -15.20 C:21 21.89 -4.79 C:3 14.02 -13.20 C:15 22.27 -9.70 C:8 19.11 -11.70 C:9 17.84 -10.97 C:17 22.08 -7.24 C:5 16.55 -13.20 C:13 20.05 -8.63 C:22 22.70 -5.96 C:10 16.55 -11.70 C:18 20.66 -7.35 C:4 15.27 -13.93 C:14 20.84 -9.81 O 23.07 -10.85 32 1 -2 33 2 -1 34 3 -2 35 4 -1 31 5 -1 36 6 -1 37 7 -1 38 8 -2 39 9 -2 10 27 2 11 16 1 12 27 1 28 13 -1 29 14 -1 40 15 -2 36 16 -2 17 21 1 17 28 1 18 20 1 18 29 1 19 23 1 19 31 1 20 37 1 21 38 1 22 24 1 22 32 1 23 34 1 24 35 1 25 30 1 25 33 1 26 31 1 26 40 1 39 27 -1 28 36 1 29 39 1 30 40 1 31 32 1 32 37 1 33 36 1 33 38 1 34 37 1 34 39 1 35 38 1 35 40 1 30 41 -2', '41 45 H 17.84 -11.92 H 21.47 -6.54 H 16.55 -14.14 H 19.45 -7.66 C 19.11 -10.24 C 23.89 -5.24 C 16.55 -10.24 C 21.46 -8.52 C 16.13 -15.15 O 12.92 -15.25 O 25.08 -6.68 O 14.77 -16.52 O 22.49 -3.53 O 12.83 -13.93 O 21.77 -10.86 C 23.71 -6.96 C 20.48 -4.89 C 14.02 -11.70 C 19.11 -13.20 C 15.27 -10.97 C 19.85 -6.17 C 17.63 -9.58 C 17.84 -13.93 C 18.61 -8.53 C 22.89 -8.42 C 20.43 -11.17 C 14.31 -15.20 C 21.89 -4.79 C 14.02 -13.20 C 22.27 -9.70 C 19.11 -11.70 C 17.84 -10.97 C 22.08 -7.24 C 16.55 -13.20 C 20.05 -8.63 C 22.70 -5.96 C 16.55 -11.70 C 20.66 -7.35 C 15.27 -13.93 C 20.84 -9.81 O 23.07 -10.85 32 1 -2 33 2 -1 34 3 -2 35 4 -1 31 5 -1 36 6 -1 37 7 -1 38 8 -2 39 9 -2 10 27 2 11 16 1 12 27 1 28 13 -1 29 14 -1 40 15 -2 36 16 -2 17 21 1 17 28 1 18 20 1 18 29 1 19 23 1 19 31 1 20 37 1 21 38 1 22 24 1 22 32 1 23 34 1 24 35 1 25 30 1 25 33 1 26 31 1 26 40 1 39 27 -1 28 36 1 29 39 1 30 40 1 31 32 1 32 37 1 33 36 1 33 38 1 34 37 1 34 39 1 35 38 1 35 40 1 30 41 -2', '41 45 H 17.84 -11.92 H 21.47 -6.54 H 16.55 -14.14 H 19.45 -7.66 C:23 19.11 -10.24 C:24 23.89 -5.24 C:15 16.55 -10.24 C:17 21.46 -8.52 C:25 16.13 -15.15 O 12.92 -15.25 O 25.08 -6.68 O 14.77 -16.52 O 22.49 -3.53 O 12.83 -13.93 O 21.77 -10.86 C:66 23.71 -6.96 C:27 20.48 -4.89 C:30 14.02 -11.70 C:45 19.11 -13.20 C:39 15.27 -10.97 C:34 19.85 -6.17 C:26 17.63 -9.58 C:22 17.84 -13.93 C:27 18.61 -8.53 C:28 22.89 -8.42 C:54 20.43 -11.17 C:184 14.31 -15.20 C:70 21.89 -4.79 C:78 14.02 -13.20 C:77 22.27 -9.70 C:38 19.11 -11.70 C:60 17.84 -10.97 C:47 22.08 -7.24 C:57 16.55 -13.20 C:59 20.05 -8.63 C:44 22.70 -5.96 C:39 16.55 -11.70 C:39 20.66 -7.35 C:50 15.27 -13.93 C:78 20.84 -9.81 O 23.07 -10.85 32 1 -2 33 2 -1 34 3 -2 35 4 -1 31 5 -1 36 6 -1 37 7 -1 38 8 -2 39 9 -2 10 27 2 11 16 1 12 27 1 28 13 -1 29 14 -1 40 15 -2 36 16 -2 17 21 1 17 28 1 18 20 1 18 29 1 19 23 1 19 31 1 20 37 1 21 38 1 22 24 1 22 32 1 23 34 1 24 35 1 25 30 1 25 33 1 26 31 1 26 40 1 39 27 -1 28 36 1 29 39 1 30 40 1 31 32 1 32 37 1 33 36 1 33 38 1 34 37 1 34 39 1 35 38 1 35 40 1 30 41 -2', 'C30H50O7', 522.349, 'P', 'np02_979_1', 2573, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(2760, '', '3beta,22S-Dihydroxytirucalla-7,24-dien-23-one', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]([C@@H:20]([CH3:21])[C@H:22](O)[C:23](=O)[CH:24]=[C:25]([CH3:27])[CH3:26])[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@H]([C@@H](C)[C@H](O)C(=O)C=C(C)C)CC[C@]1(C)C2=CC[C@@]4([H])[C@](C)(C)[C@@H](O)CC[C@]34C', '[H][C@:49]23[CH2:18][CH2:34][C@@:43]1([CH3:22])[C@H:49]([C@@H:40]([CH3:12])[C@H:81](O)[C:201](=O)[CH:119]=[C:159]([CH3:21])[CH3:27])[CH2:28][CH2:34][C@:51]1([CH3:27])[C:146]2=[CH:118][CH2:24][C@@:51]4([H])[C@:39]([CH3:15])([CH3:27])[C@@H:79](O)[CH2:28][CH2:37][C@:35]34[CH3:13]', '35 38 C:26 26.52 -8.36 C:27 24.68 -9.98 C:21 19.51 -6.07 C:28 14.44 -14.47 C:29 12.92 -14.42 C:30 18.72 -11.78 C:19 14.93 -9.63 C:18 18.71 -7.50 O 22.35 -9.20 O 11.29 -13.25 O 22.31 -5.54 C:7 17.46 -12.52 C:24 24.18 -7.59 C:6 16.21 -13.22 C:2 12.48 -11.06 C:11 16.21 -8.91 C:16 20.85 -9.63 C:15 20.03 -10.73 C:1 13.70 -10.32 C:12 17.46 -8.19 C:25 25.13 -8.66 C:23 22.80 -7.87 C:8 17.46 -11.06 C:20 20.46 -7.14 C:3 12.48 -12.52 C:22 21.86 -6.84 C:9 16.21 -10.32 C:17 20.03 -8.49 C:5 14.93 -12.52 C:4 13.70 -13.22 C:14 18.71 -10.32 C:10 14.93 -11.06 C:13 18.71 -8.91 H 16.21 -11.34 H 14.93 -13.43 1 21 1 2 21 1 24 3 -1 30 4 -2 30 5 -1 31 6 -1 32 7 -1 33 8 -2 9 22 2 25 10 -1 26 11 -2 12 14 1 12 23 2 13 21 2 13 22 1 14 29 1 15 19 1 15 25 1 16 20 1 16 27 1 17 18 1 17 28 1 18 31 1 19 32 1 20 33 1 22 26 1 23 27 1 23 31 1 24 26 1 28 24 -2 25 30 1 27 32 1 28 33 1 29 30 1 29 32 1 31 33 1 27 34 -2 29 35 -2', '35 38 C 26.52 -8.36 C 24.68 -9.98 C 19.51 -6.07 C 14.44 -14.47 C 12.92 -14.42 C 18.72 -11.78 C 14.93 -9.63 C 18.71 -7.50 O 22.35 -9.20 O 11.29 -13.25 O 22.31 -5.54 C 17.46 -12.52 C 24.18 -7.59 C 16.21 -13.22 C 12.48 -11.06 C 16.21 -8.91 C 20.85 -9.63 C 20.03 -10.73 C 13.70 -10.32 C 17.46 -8.19 C 25.13 -8.66 C 22.80 -7.87 C 17.46 -11.06 C 20.46 -7.14 C 12.48 -12.52 C 21.86 -6.84 C 16.21 -10.32 C 20.03 -8.49 C 14.93 -12.52 C 13.70 -13.22 C 18.71 -10.32 C 14.93 -11.06 C 18.71 -8.91 H 16.21 -11.34 H 14.93 -13.43 1 21 1 2 21 1 24 3 -1 30 4 -2 30 5 -1 31 6 -1 32 7 -1 33 8 -2 9 22 2 25 10 -1 26 11 -2 12 14 1 12 23 2 13 21 2 13 22 1 14 29 1 15 19 1 15 25 1 16 20 1 16 27 1 17 18 1 17 28 1 18 31 1 19 32 1 20 33 1 22 26 1 23 27 1 23 31 1 24 26 1 28 24 -2 25 30 1 27 32 1 28 33 1 29 30 1 29 32 1 31 33 1 27 34 -2 29 35 -2', '35 38 C:27 26.52 -8.36 C:21 24.68 -9.98 C:12 19.51 -6.07 C:27 14.44 -14.47 C:15 12.92 -14.42 C:27 18.72 -11.78 C:13 14.93 -9.63 C:22 18.71 -7.50 O 22.35 -9.20 O 11.29 -13.25 O 22.31 -5.54 C:118 17.46 -12.52 C:119 24.18 -7.59 C:24 16.21 -13.22 C:28 12.48 -11.06 C:18 16.21 -8.91 C:28 20.85 -9.63 C:34 20.03 -10.73 C:37 13.70 -10.32 C:34 17.46 -8.19 C:159 25.13 -8.66 C:201 22.80 -7.87 C:146 17.46 -11.06 C:40 20.46 -7.14 C:79 12.48 -12.52 C:81 21.86 -6.84 C:49 16.21 -10.32 C:49 20.03 -8.49 C:51 14.93 -12.52 C:39 13.70 -13.22 C:51 18.71 -10.32 C:35 14.93 -11.06 C:43 18.71 -8.91 H 16.21 -11.34 H 14.93 -13.43 1 21 1 2 21 1 24 3 -1 30 4 -2 30 5 -1 31 6 -1 32 7 -1 33 8 -2 9 22 2 25 10 -1 26 11 -2 12 14 1 12 23 2 13 21 2 13 22 1 14 29 1 15 19 1 15 25 1 16 20 1 16 27 1 17 18 1 17 28 1 18 31 1 19 32 1 20 33 1 22 26 1 23 27 1 23 31 1 24 26 1 28 24 -2 25 30 1 27 32 1 28 33 1 29 30 1 29 32 1 31 33 1 27 34 -2 29 35 -2', 'C30H48O3', 456.335, 'C', 'ph_54_801_1', 1371, '', '', '1', 1, NULL, NULL),
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(2773, 'Dymacrin D', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]([C@@H:20]([CH3:21])[CH2:22][C:23](=O)[CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@H]([C@@H](C)CC(=O)C=C(C)C)CC[C@]1(C)C2=CC[C@@]4([H])[C@](C)(C)C(=O)CC[C@]34C', '[H][C@:49]23[CH2:18][CH2:34][C@@:44]1([CH3:22])[C@H:52]([C@@H:34]([CH3:20])[CH2:52][C:202](=O)[CH:124]=[C:155]([CH3:28])[CH3:21])[CH2:29][CH2:34][C@:51]1([CH3:28])[C:146]2=[CH:118][CH2:25][C@@:53]4([H])[C@:48]([CH3:22])([CH3:25])[C:216](=O)[CH2:35][CH2:39][C@:35]34[CH3:13]', '34 37 H 16.24 -11.10 H 14.94 -13.28 C:27 24.70 -9.76 C:26 26.54 -8.13 C:21 19.54 -5.84 C:28 14.45 -14.23 C:29 12.94 -14.18 C:30 18.75 -11.54 C:18 18.74 -7.29 C:19 14.94 -9.40 O 22.36 -8.98 O 11.31 -13.00 C:7 17.47 -12.27 C:24 24.19 -7.37 C:6 16.24 -12.97 C:2 12.49 -10.82 C:16 20.86 -9.40 C:1 13.72 -10.09 C:11 16.24 -8.69 C:15 20.05 -10.50 C:12 17.47 -7.97 C:22 21.87 -6.62 C:25 25.15 -8.44 C:23 22.81 -7.67 C:3 12.49 -12.27 C:8 17.47 -10.82 C:20 20.47 -6.93 C:17 20.05 -8.27 C:4 13.72 -12.97 C:9 16.24 -10.09 C:5 14.94 -12.27 C:14 18.73 -10.09 C:13 18.73 -8.69 C:10 14.94 -10.82 30 1 -2 31 2 -2 3 23 1 4 23 1 27 5 -1 29 6 -2 29 7 -1 32 8 -1 33 9 -2 34 10 -1 11 24 2 12 25 2 13 15 1 13 26 2 14 23 2 14 24 1 15 31 1 16 18 1 16 25 1 17 20 1 17 28 1 18 34 1 19 21 1 19 30 1 20 32 1 21 33 1 22 24 1 22 27 1 25 29 1 26 30 1 26 32 1 28 27 -2 28 33 1 29 31 1 30 34 1 31 34 1 32 33 1', '34 37 H 16.24 -11.10 H 14.94 -13.28 C 24.70 -9.76 C 26.54 -8.13 C 19.54 -5.84 C 14.45 -14.23 C 12.94 -14.18 C 18.75 -11.54 C 18.74 -7.29 C 14.94 -9.40 O 22.36 -8.98 O 11.31 -13.00 C 17.47 -12.27 C 24.19 -7.37 C 16.24 -12.97 C 12.49 -10.82 C 20.86 -9.40 C 13.72 -10.09 C 16.24 -8.69 C 20.05 -10.50 C 17.47 -7.97 C 21.87 -6.62 C 25.15 -8.44 C 22.81 -7.67 C 12.49 -12.27 C 17.47 -10.82 C 20.47 -6.93 C 20.05 -8.27 C 13.72 -12.97 C 16.24 -10.09 C 14.94 -12.27 C 18.73 -10.09 C 18.73 -8.69 C 14.94 -10.82 30 1 -2 31 2 -2 3 23 1 4 23 1 27 5 -1 29 6 -2 29 7 -1 32 8 -1 33 9 -2 34 10 -1 11 24 2 12 25 2 13 15 1 13 26 2 14 23 2 14 24 1 15 31 1 16 18 1 16 25 1 17 20 1 17 28 1 18 34 1 19 21 1 19 30 1 20 32 1 21 33 1 22 24 1 22 27 1 25 29 1 26 30 1 26 32 1 28 27 -2 28 33 1 29 31 1 30 34 1 31 34 1 32 33 1', '34 37 H 16.24 -11.10 H 14.94 -13.28 C:21 24.70 -9.76 C:28 26.54 -8.13 C:20 19.54 -5.84 C:25 14.45 -14.23 C:22 12.94 -14.18 C:28 18.75 -11.54 C:22 18.74 -7.29 C:13 14.94 -9.40 O 22.36 -8.98 O 11.31 -13.00 C:118 17.47 -12.27 C:124 24.19 -7.37 C:25 16.24 -12.97 C:35 12.49 -10.82 C:29 20.86 -9.40 C:39 13.72 -10.09 C:18 16.24 -8.69 C:34 20.05 -10.50 C:34 17.47 -7.97 C:52 21.87 -6.62 C:155 25.15 -8.44 C:202 22.81 -7.67 C:216 12.49 -12.27 C:146 17.47 -10.82 C:34 20.47 -6.93 C:52 20.05 -8.27 C:48 13.72 -12.97 C:49 16.24 -10.09 C:53 14.94 -12.27 C:51 18.73 -10.09 C:44 18.73 -8.69 C:35 14.94 -10.82 30 1 -2 31 2 -2 3 23 1 4 23 1 27 5 -1 29 6 -2 29 7 -1 32 8 -1 33 9 -2 34 10 -1 11 24 2 12 25 2 13 15 1 13 26 2 14 23 2 14 24 1 15 31 1 16 18 1 16 25 1 17 20 1 17 28 1 18 34 1 19 21 1 19 30 1 20 32 1 21 33 1 22 24 1 22 27 1 25 29 1 26 30 1 26 32 1 28 27 -2 28 33 1 29 31 1 30 34 1 31 34 1 32 33 1', 'C30H46O2', 438.336, 'C', 'ph_52_1461_5', 1541, '', '', '2', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(2774, 'Dymacrin E', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]([C@@H:20]([CH3:21])[CH2:22][C:23](=O)[CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH:29]=O)[C@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@H]([C@@H](C)CC(=O)C=C(C)C)CC[C@]1(C)C2=CC[C@@]4([H])[C@@](C)(C=O)[C@H](O)CC[C@]34C', '[H][C@:48]23[CH2:19][CH2:34][C@@:44]1([CH3:22])[C@H:52]([C@@H:34]([CH3:19])[CH2:52][C:202](=O)[CH:125]=[C:155]([CH3:28])[CH3:21])[CH2:29][CH2:34][C@:51]1([CH3:27])[C:146]2=[CH:117][CH2:24][C@@:53]4([H])[C@@:53]([CH3:20])([CH:208]=O)[C@H:78](O)[CH2:30][CH2:37][C@:35]34[CH3:13]', '35 38 H 16.23 -11.10 H 14.94 -13.28 C:27 24.67 -9.75 C:26 26.51 -8.11 C:21 19.51 -5.83 C:28 14.46 -14.21 C:30 18.72 -11.53 C:18 18.71 -7.27 C:19 14.94 -9.39 O 11.53 -14.09 O 22.34 -8.95 O 11.31 -12.99 C:29 12.93 -14.16 C:7 17.45 -12.26 C:24 24.17 -7.35 C:2 12.49 -10.81 C:16 20.84 -9.39 C:6 16.23 -12.95 C:15 20.02 -10.50 C:11 16.23 -8.67 C:1 13.71 -10.08 C:12 17.45 -7.95 C:22 21.86 -6.60 C:25 25.12 -8.42 C:23 22.79 -7.64 C:8 17.45 -10.81 C:20 20.45 -6.90 C:3 12.49 -12.26 C:17 20.02 -8.24 C:9 16.23 -10.08 C:5 14.94 -12.26 C:4 13.71 -12.95 C:14 18.70 -10.08 C:13 18.70 -8.67 C:10 14.94 -10.81 30 1 -2 31 2 -2 3 24 1 4 24 1 27 5 -1 32 6 -2 33 7 -1 34 8 -2 35 9 -1 10 13 2 11 25 2 28 12 -2 32 13 -1 14 18 1 14 26 2 15 24 2 15 25 1 16 21 1 16 28 1 17 19 1 17 29 1 18 31 1 19 33 1 20 22 1 20 30 1 21 35 1 22 34 1 23 25 1 23 27 1 26 30 1 26 33 1 29 27 -2 28 32 1 29 34 1 30 35 1 31 32 1 31 35 1 33 34 1', '35 38 H 16.23 -11.10 H 14.94 -13.28 C 24.67 -9.75 C 26.51 -8.11 C 19.51 -5.83 C 14.46 -14.21 C 18.72 -11.53 C 18.71 -7.27 C 14.94 -9.39 O 11.53 -14.09 O 22.34 -8.95 O 11.31 -12.99 C 12.93 -14.16 C 17.45 -12.26 C 24.17 -7.35 C 12.49 -10.81 C 20.84 -9.39 C 16.23 -12.95 C 20.02 -10.50 C 16.23 -8.67 C 13.71 -10.08 C 17.45 -7.95 C 21.86 -6.60 C 25.12 -8.42 C 22.79 -7.64 C 17.45 -10.81 C 20.45 -6.90 C 12.49 -12.26 C 20.02 -8.24 C 16.23 -10.08 C 14.94 -12.26 C 13.71 -12.95 C 18.70 -10.08 C 18.70 -8.67 C 14.94 -10.81 30 1 -2 31 2 -2 3 24 1 4 24 1 27 5 -1 32 6 -2 33 7 -1 34 8 -2 35 9 -1 10 13 2 11 25 2 28 12 -2 32 13 -1 14 18 1 14 26 2 15 24 2 15 25 1 16 21 1 16 28 1 17 19 1 17 29 1 18 31 1 19 33 1 20 22 1 20 30 1 21 35 1 22 34 1 23 25 1 23 27 1 26 30 1 26 33 1 29 27 -2 28 32 1 29 34 1 30 35 1 31 32 1 31 35 1 33 34 1', '35 38 H 16.23 -11.10 H 14.94 -13.28 C:21 24.67 -9.75 C:28 26.51 -8.11 C:19 19.51 -5.83 C:20 14.46 -14.21 C:27 18.72 -11.53 C:22 18.71 -7.27 C:13 14.94 -9.39 O 11.53 -14.09 O 22.34 -8.95 O 11.31 -12.99 C:208 12.93 -14.16 C:117 17.45 -12.26 C:125 24.17 -7.35 C:30 12.49 -10.81 C:29 20.84 -9.39 C:24 16.23 -12.95 C:34 20.02 -10.50 C:19 16.23 -8.67 C:37 13.71 -10.08 C:34 17.45 -7.95 C:52 21.86 -6.60 C:155 25.12 -8.42 C:202 22.79 -7.64 C:146 17.45 -10.81 C:34 20.45 -6.90 C:78 12.49 -12.26 C:52 20.02 -8.24 C:48 16.23 -10.08 C:53 14.94 -12.26 C:53 13.71 -12.95 C:51 18.70 -10.08 C:44 18.70 -8.67 C:35 14.94 -10.81 30 1 -2 31 2 -2 3 24 1 4 24 1 27 5 -1 32 6 -2 33 7 -1 34 8 -2 35 9 -1 10 13 2 11 25 2 28 12 -2 32 13 -1 14 18 1 14 26 2 15 24 2 15 25 1 16 21 1 16 28 1 17 19 1 17 29 1 18 31 1 19 33 1 20 22 1 20 30 1 21 35 1 22 34 1 23 25 1 23 27 1 26 30 1 26 33 1 29 27 -2 28 32 1 29 34 1 30 35 1 31 32 1 31 35 1 33 34 1', 'C30H46O3', 454.335, 'C', 'ph_52_1461_6', 1541, '', '', '2', 1, NULL, NULL),
(2775, 'Dymacrin F', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]([C@@H:20]([CH3:21])[CH2:22][C@@H:23](O)[CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH2:29]O)[C:3](=O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@H]([C@@H](C)C[C@@H](O)C=C(C)C)CC[C@]1(C)C2=CC[C@@]4([H])[C@@](C)(CO)C(=O)CC[C@]34C', '[H][C@:48]23[CH2:18][CH2:34][C@@:44]1([CH3:22])[C@H:54]([C@@H:34]([CH3:19])[CH2:44][C@@H:67](O)[CH:129]=[C:136]([CH3:26])[CH3:19])[CH2:29][CH2:34][C@:51]1([CH3:28])[C:146]2=[CH:118][CH2:25][C@@:54]4([H])[C@@:53]([CH3:21])([CH2:66]O)[C:216](=O)[CH2:36][CH2:38][C@:35]34[CH3:14]', '35 38 C:27 24.70 -9.76 C:26 26.54 -8.13 C:21 19.54 -5.84 C:30 18.75 -11.54 C:29 12.94 -14.19 C:18 18.74 -7.29 C:19 14.95 -9.40 H 16.24 -11.11 H 14.95 -13.23 O 22.37 -8.98 O 11.33 -13.00 C:7 17.48 -12.27 C:24 24.21 -7.37 C:28 14.47 -14.24 C:6 16.24 -12.97 C:2 12.51 -10.82 C:16 20.86 -9.40 C:15 20.05 -10.51 C:1 13.73 -10.09 C:12 17.48 -7.97 C:11 16.24 -8.69 C:22 21.88 -6.61 C:25 25.15 -8.44 C:8 17.48 -10.82 C:20 20.48 -6.92 C:23 22.81 -7.67 C:3 12.51 -12.27 C:17 20.05 -8.26 C:14 18.73 -10.09 C:4 13.73 -12.97 C:13 18.73 -8.69 C:10 14.95 -10.82 C:9 16.24 -10.09 C:5 14.95 -12.27 O 11.54 -14.12 1 23 1 2 23 1 25 3 -1 29 4 -1 30 5 -1 31 6 -2 32 7 -1 33 8 -2 34 9 -2 26 10 -2 27 11 2 12 15 1 12 24 2 13 23 2 13 26 1 30 14 -2 15 34 1 16 19 1 16 27 1 17 18 1 17 28 1 18 29 1 19 32 1 20 21 1 20 31 1 21 33 1 22 25 1 22 26 1 24 29 1 24 33 1 28 25 -2 27 30 1 28 31 1 29 31 1 30 34 1 32 33 1 32 34 1 5 35 1', '35 38 C 24.70 -9.76 C 26.54 -8.13 C 19.54 -5.84 C 18.75 -11.54 C 12.94 -14.19 C 18.74 -7.29 C 14.95 -9.40 H 16.24 -11.11 H 14.95 -13.23 O 22.37 -8.98 O 11.33 -13.00 C 17.48 -12.27 C 24.21 -7.37 C 14.47 -14.24 C 16.24 -12.97 C 12.51 -10.82 C 20.86 -9.40 C 20.05 -10.51 C 13.73 -10.09 C 17.48 -7.97 C 16.24 -8.69 C 21.88 -6.61 C 25.15 -8.44 C 17.48 -10.82 C 20.48 -6.92 C 22.81 -7.67 C 12.51 -12.27 C 20.05 -8.26 C 18.73 -10.09 C 13.73 -12.97 C 18.73 -8.69 C 14.95 -10.82 C 16.24 -10.09 C 14.95 -12.27 O 11.54 -14.12 1 23 1 2 23 1 25 3 -1 29 4 -1 30 5 -1 31 6 -2 32 7 -1 33 8 -2 34 9 -2 26 10 -2 27 11 2 12 15 1 12 24 2 13 23 2 13 26 1 30 14 -2 15 34 1 16 19 1 16 27 1 17 18 1 17 28 1 18 29 1 19 32 1 20 21 1 20 31 1 21 33 1 22 25 1 22 26 1 24 29 1 24 33 1 28 25 -2 27 30 1 28 31 1 29 31 1 30 34 1 32 33 1 32 34 1 5 35 1', '35 38 C:19 24.70 -9.76 C:26 26.54 -8.13 C:19 19.54 -5.84 C:28 18.75 -11.54 C:66 12.94 -14.19 C:22 18.74 -7.29 C:14 14.95 -9.40 H 16.24 -11.11 H 14.95 -13.23 O 22.37 -8.98 O 11.33 -13.00 C:118 17.48 -12.27 C:129 24.21 -7.37 C:21 14.47 -14.24 C:25 16.24 -12.97 C:36 12.51 -10.82 C:29 20.86 -9.40 C:34 20.05 -10.51 C:38 13.73 -10.09 C:34 17.48 -7.97 C:18 16.24 -8.69 C:44 21.88 -6.61 C:136 25.15 -8.44 C:146 17.48 -10.82 C:34 20.48 -6.92 C:67 22.81 -7.67 C:216 12.51 -12.27 C:54 20.05 -8.26 C:51 18.73 -10.09 C:53 13.73 -12.97 C:44 18.73 -8.69 C:35 14.95 -10.82 C:48 16.24 -10.09 C:54 14.95 -12.27 O 11.54 -14.12 1 23 1 2 23 1 25 3 -1 29 4 -1 30 5 -1 31 6 -2 32 7 -1 33 8 -2 34 9 -2 26 10 -2 27 11 2 12 15 1 12 24 2 13 23 2 13 26 1 30 14 -2 15 34 1 16 19 1 16 27 1 17 18 1 17 28 1 18 29 1 19 32 1 20 21 1 20 31 1 21 33 1 22 25 1 22 26 1 24 29 1 24 33 1 28 25 -2 27 30 1 28 31 1 29 31 1 30 34 1 32 33 1 32 34 1 5 35 1', 'C30H48O3', 456.335, 'C', 'ph_52_1461_7', 1541, '', '', '1', 1, NULL, NULL),
(2776, 'Dymacrin G', '', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]([C@@H:20]([CH3:21])[C@H:22](O)[CH:23]=[CH:24][C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH3:29])[C:3](=O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@H]([C@@H](C)[C@H](O)C=CC(C)(C)O)CC[C@]1(C)C2=CC[C@@]4([H])[C@@](C)(C)C(=O)CC[C@]34C', '[H][C@:49]23[CH2:18][CH2:34][C@@:44]1([CH3:22])[C@H:49]([C@@H:42]([CH3:12])[C@H:74](O)[CH:130]=[CH:138][C:71]([CH3:30])([CH3:30])O)[CH2:28][CH2:34][C@:51]1([CH3:28])[C:146]2=[CH:118][CH2:25][C@@:53]4([H])[C@@:48]([CH3:25])([CH3:22])[C:216](=O)[CH2:35][CH2:39][C@:35]34[CH3:13]', '35 38 H 16.28 -11.38 H 14.99 -13.55 C:21 19.56 -6.13 C:26 26.56 -8.41 C:27 24.72 -10.03 C:29 12.98 -14.45 C:28 14.50 -14.50 C:30 18.77 -11.82 C:18 18.76 -7.56 C:19 14.99 -9.68 O 11.35 -13.27 O 22.36 -5.55 O 26.11 -9.77 C:23 22.83 -7.94 C:7 17.51 -12.54 C:24 24.21 -7.64 C:2 12.53 -11.10 C:16 20.88 -9.68 C:6 16.28 -13.24 C:15 20.07 -10.78 C:1 13.76 -10.37 C:11 16.28 -8.96 C:12 17.51 -8.24 C:3 12.53 -12.54 C:8 17.51 -11.10 C:20 20.49 -7.20 C:22 21.89 -6.89 C:17 20.07 -8.54 C:25 25.16 -8.71 C:4 13.76 -13.24 C:9 16.28 -10.37 C:5 14.99 -12.54 C:14 18.75 -10.37 C:13 18.75 -8.96 C:10 14.99 -11.10 31 1 -2 32 2 -2 26 3 -1 4 29 1 5 29 1 30 6 -1 30 7 -2 33 8 -1 34 9 -2 35 10 -1 11 24 2 27 12 -2 13 29 1 14 16 2 14 27 1 15 19 1 15 25 2 16 29 1 17 21 1 17 24 1 18 20 1 18 28 1 19 32 1 20 33 1 21 35 1 22 23 1 22 31 1 23 34 1 24 30 1 25 31 1 25 33 1 26 27 1 28 26 -2 28 34 1 30 32 1 31 35 1 32 35 1 33 34 1', '35 38 H 16.28 -11.38 H 14.99 -13.55 C 19.56 -6.13 C 26.56 -8.41 C 24.72 -10.03 C 12.98 -14.45 C 14.50 -14.50 C 18.77 -11.82 C 18.76 -7.56 C 14.99 -9.68 O 11.35 -13.27 O 22.36 -5.55 O 26.11 -9.77 C 22.83 -7.94 C 17.51 -12.54 C 24.21 -7.64 C 12.53 -11.10 C 20.88 -9.68 C 16.28 -13.24 C 20.07 -10.78 C 13.76 -10.37 C 16.28 -8.96 C 17.51 -8.24 C 12.53 -12.54 C 17.51 -11.10 C 20.49 -7.20 C 21.89 -6.89 C 20.07 -8.54 C 25.16 -8.71 C 13.76 -13.24 C 16.28 -10.37 C 14.99 -12.54 C 18.75 -10.37 C 18.75 -8.96 C 14.99 -11.10 31 1 -2 32 2 -2 26 3 -1 4 29 1 5 29 1 30 6 -1 30 7 -2 33 8 -1 34 9 -2 35 10 -1 11 24 2 27 12 -2 13 29 1 14 16 2 14 27 1 15 19 1 15 25 2 16 29 1 17 21 1 17 24 1 18 20 1 18 28 1 19 32 1 20 33 1 21 35 1 22 23 1 22 31 1 23 34 1 24 30 1 25 31 1 25 33 1 26 27 1 28 26 -2 28 34 1 30 32 1 31 35 1 32 35 1 33 34 1', '35 38 H 16.28 -11.38 H 14.99 -13.55 C:12 19.56 -6.13 C:30 26.56 -8.41 C:30 24.72 -10.03 C:22 12.98 -14.45 C:25 14.50 -14.50 C:28 18.77 -11.82 C:22 18.76 -7.56 C:13 14.99 -9.68 O 11.35 -13.27 O 22.36 -5.55 O 26.11 -9.77 C:130 22.83 -7.94 C:118 17.51 -12.54 C:138 24.21 -7.64 C:35 12.53 -11.10 C:28 20.88 -9.68 C:25 16.28 -13.24 C:34 20.07 -10.78 C:39 13.76 -10.37 C:18 16.28 -8.96 C:34 17.51 -8.24 C:216 12.53 -12.54 C:146 17.51 -11.10 C:42 20.49 -7.20 C:74 21.89 -6.89 C:49 20.07 -8.54 C:71 25.16 -8.71 C:48 13.76 -13.24 C:49 16.28 -10.37 C:53 14.99 -12.54 C:51 18.75 -10.37 C:44 18.75 -8.96 C:35 14.99 -11.10 31 1 -2 32 2 -2 26 3 -1 4 29 1 5 29 1 30 6 -1 30 7 -2 33 8 -1 34 9 -2 35 10 -1 11 24 2 27 12 -2 13 29 1 14 16 2 14 27 1 15 19 1 15 25 2 16 29 1 17 21 1 17 24 1 18 20 1 18 28 1 19 32 1 20 33 1 21 35 1 22 23 1 22 31 1 23 34 1 24 30 1 25 31 1 25 33 1 26 27 1 28 26 -2 28 34 1 30 32 1 31 35 1 32 35 1 33 34 1', 'C30H48O3', 456.335, 'C', 'ph_52_1461_8', 1541, '', '', '1', 1, NULL, NULL),
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(2786, 'Meliacinanhydride', '24,25,26,27-tetranorapotirucalla-(apoeupha)-6a-hydroxy,11a-methoxy-7a,12a-diacetdiacetoxy,1,14,20(22)-trien-3-one', 'Terpenoids', 'Triterpenoids', 'Apotirucallanes', '[H][C@@:5]45[C@@H:6](O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]3([CH3:30])[C:14]2=[CH:15][CH2:16][C@@H:17]([c:20]1[cH:22][c:23](=O)o[c:21]1=O)[C@:13]2([CH3:18])[C@@H:12](O[C:12001]([CH3:12002])=O)[C@@H:11](O[CH3:11001])[C@:9]3([H])[C@@:10]4([CH3:19])[CH:1]=[CH:2][C:3](=O)[C@:4]5([CH3:28])[CH3:29]', '[H][C@@]45[C@@H](O)[C@@H](OC(C)=O)[C@@]3(C)C2=CC[C@@H](c1cc(=O)oc1=O)[C@]2(C)[C@@H](OC(C)=O)[C@@H](OC)[C@]3([H])[C@@]4(C)C=CC(=O)[C@]5(C)C', '[H][C@@:49]45[C@@H:69](O)[C@@H:81](O[C:170]([CH3:19])=O)[C@@:44]3([CH3:28])[C:158]2=[CH:120][CH2:33][C@@H:51]([c:153]1[cH:134][c:170](=O)o[c:171]1=O)[C@:55]2([CH3:21])[C@@H:66](O[C:170]([CH3:20])=O)[C@@H:78](O[CH3:53])[C@:38]3([H])[C@@:41]4([CH3:22])[CH:157]=[CH:126][C:204](=O)[C@:44]5([CH3:22])[CH3:20]', '43 47 H 16.73 -14.03 H 18.01 -11.75 C:11001 16.78 -7.40 C:7002 21.62 -16.01 C:12002 19.03 -4.93 C:29 14.71 -15.04 C:28 16.23 -15.09 C:19 16.73 -10.24 C:18 20.53 -8.10 C:30 19.27 -10.29 O 19.17 -15.95 O 17.03 -6.35 O 13.07 -13.86 O 21.85 -4.08 O 24.78 -8.13 O 18.05 -15.22 C:2 14.26 -11.67 C:1 15.49 -10.93 C:15 21.85 -11.35 C:22 21.45 -6.58 C:16 22.66 -10.24 O 16.78 -8.82 O 20.44 -13.85 O 19.26 -7.37 O 23.61 -5.87 C:7001 20.46 -15.27 C:12001 18.43 -6.22 C:3 14.26 -13.13 C:14 20.51 -10.93 C:20 22.29 -7.73 C:23 22.29 -5.44 C:21 23.61 -7.30 C:6 18.01 -13.83 C:17 21.85 -9.09 C:7 19.27 -13.13 C:11 18.01 -9.52 C:12 19.27 -8.79 C:4 15.49 -13.83 C:10 16.73 -11.67 C:13 20.51 -9.52 C:5 16.73 -13.13 C:9 18.01 -10.93 C:8 19.27 -11.67 41 1 -2 42 2 -2 3 22 1 4 26 1 5 27 1 38 6 -1 38 7 -2 39 8 -1 40 9 -2 43 10 -1 11 26 2 12 27 2 13 28 2 14 31 2 15 32 2 33 16 -2 17 18 2 17 28 1 18 39 1 19 21 1 19 29 2 20 30 2 20 31 1 21 34 1 36 22 -2 23 26 1 35 23 -2 24 27 1 37 24 -2 25 31 1 25 32 1 28 38 1 29 40 1 29 43 1 30 32 1 34 30 -2 33 35 1 33 41 1 34 40 1 35 43 1 36 37 1 36 42 1 37 40 1 38 41 1 39 41 1 39 42 1 42 43 1', '43 47 H 16.73 -14.03 H 18.01 -11.75 C 16.78 -7.40 C 21.62 -16.01 C 19.03 -4.93 C 14.71 -15.04 C 16.23 -15.09 C 16.73 -10.24 C 20.53 -8.10 C 19.27 -10.29 O 19.17 -15.95 O 17.03 -6.35 O 13.07 -13.86 O 21.85 -4.08 O 24.78 -8.13 O 18.05 -15.22 C 14.26 -11.67 C 15.49 -10.93 C 21.85 -11.35 C 21.45 -6.58 C 22.66 -10.24 O 16.78 -8.82 O 20.44 -13.85 O 19.26 -7.37 O 23.61 -5.87 C 20.46 -15.27 C 18.43 -6.22 C 14.26 -13.13 C 20.51 -10.93 C 22.29 -7.73 C 22.29 -5.44 C 23.61 -7.30 C 18.01 -13.83 C 21.85 -9.09 C 19.27 -13.13 C 18.01 -9.52 C 19.27 -8.79 C 15.49 -13.83 C 16.73 -11.67 C 20.51 -9.52 C 16.73 -13.13 C 18.01 -10.93 C 19.27 -11.67 41 1 -2 42 2 -2 3 22 1 4 26 1 5 27 1 38 6 -1 38 7 -2 39 8 -1 40 9 -2 43 10 -1 11 26 2 12 27 2 13 28 2 14 31 2 15 32 2 33 16 -2 17 18 2 17 28 1 18 39 1 19 21 1 19 29 2 20 30 2 20 31 1 21 34 1 36 22 -2 23 26 1 35 23 -2 24 27 1 37 24 -2 25 31 1 25 32 1 28 38 1 29 40 1 29 43 1 30 32 1 34 30 -2 33 35 1 33 41 1 34 40 1 35 43 1 36 37 1 36 42 1 37 40 1 38 41 1 39 41 1 39 42 1 42 43 1', '43 47 H 16.73 -14.03 H 18.01 -11.75 C:53 16.78 -7.40 C:19 21.62 -16.01 C:20 19.03 -4.93 C:20 14.71 -15.04 C:22 16.23 -15.09 C:22 16.73 -10.24 C:21 20.53 -8.10 C:28 19.27 -10.29 O 19.17 -15.95 O 17.03 -6.35 O 13.07 -13.86 O 21.85 -4.08 O 24.78 -8.13 O 18.05 -15.22 C:126 14.26 -11.67 C:157 15.49 -10.93 C:120 21.85 -11.35 C:134 21.45 -6.58 C:33 22.66 -10.24 O 16.78 -8.82 O 20.44 -13.85 O 19.26 -7.37 O 23.61 -5.87 C:170 20.46 -15.27 C:170 18.43 -6.22 C:204 14.26 -13.13 C:158 20.51 -10.93 C:153 22.29 -7.73 C:170 22.29 -5.44 C:171 23.61 -7.30 C:69 18.01 -13.83 C:51 21.85 -9.09 C:81 19.27 -13.13 C:78 18.01 -9.52 C:66 19.27 -8.79 C:44 15.49 -13.83 C:41 16.73 -11.67 C:55 20.51 -9.52 C:49 16.73 -13.13 C:38 18.01 -10.93 C:44 19.27 -11.67 41 1 -2 42 2 -2 3 22 1 4 26 1 5 27 1 38 6 -1 38 7 -2 39 8 -1 40 9 -2 43 10 -1 11 26 2 12 27 2 13 28 2 14 31 2 15 32 2 33 16 -2 17 18 2 17 28 1 18 39 1 19 21 1 19 29 2 20 30 2 20 31 1 21 34 1 36 22 -2 23 26 1 35 23 -2 24 27 1 37 24 -2 25 31 1 25 32 1 28 38 1 29 40 1 29 43 1 30 32 1 34 30 -2 33 35 1 33 41 1 34 40 1 35 43 1 36 37 1 36 42 1 37 40 1 38 41 1 39 41 1 39 42 1 42 43 1', 'C31H38O10', 570.342, 'C', 'ph_65_2363_2', 2077, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(2787, '', '', 'Terpenoids', 'Triterpenoids', 'Apotirucallanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[C:9]([C@@H:11](O)[C@H:12](O[C:1001]([CH3:1002])=O)[C@@:13]2([CH3:18])[C:14]1=[CH:15][CH2:16][C@@H:17]2[C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[C@@:10]3([CH3:19])[CH2:1][C@@H:2](O)[C@H:3](O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CCC1=C([C@@H](O)[C@H](OC(C)=O)[C@@]2(C)C1=CC[C@@H]2[C@H](C)CCC(=C)C(C)C)[C@@]3(C)C[C@@H](O)[C@H](O)[C@]4(C)C', '[H][C@@:50]34[CH2:18][CH2:27][C:126]1=[C:138]([C@@H:69](O)[C@H:79](O[C:171]([CH3:21])=O)[C@@:47]2([CH3:17])[C:147]1=[CH:121][CH2:35][C@@H:49]2[C@H:33]([CH3:18])[CH2:34][CH2:31][C:157](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[C@@:38]3([CH3:23])[CH2:43][C@@H:69](O)[C@H:83](O)[C@:39]4([CH3:29])[CH3:17]', '38 41 H 15.05 -13.93 C:24001 24.60 -6.71 C:1002 16.31 -5.13 C:26 26.50 -8.79 C:27 24.70 -10.42 C:21 19.56 -6.57 C:28 14.56 -14.87 C:29 13.05 -14.82 C:19 15.05 -10.07 C:18 18.78 -7.98 O 15.11 -7.24 O 11.39 -10.79 O 15.08 -8.70 O 11.44 -13.64 C:15 20.08 -11.18 C:16 20.90 -10.07 C:23 22.82 -8.34 C:7 17.54 -12.93 C:22 21.87 -7.31 C:6 16.30 -13.62 C:1 13.84 -10.76 O 17.54 -7.24 C:1001 16.31 -6.54 C:24 24.18 -8.04 C:8 17.54 -11.50 C:14 18.77 -10.76 C:9 16.30 -10.76 C:25 25.13 -9.09 C:20 20.50 -7.61 C:2 12.63 -11.50 C:11 16.30 -9.37 C:3 12.63 -12.93 C:17 20.08 -8.95 C:12 17.54 -8.65 C:4 13.84 -13.62 C:5 15.05 -12.93 C:10 15.05 -11.50 C:13 18.77 -9.37 36 1 -2 2 24 2 3 23 1 4 28 1 5 28 1 29 6 -2 35 7 -2 35 8 -1 37 9 -1 38 10 -1 11 23 2 30 12 -2 31 13 -1 32 14 -1 15 16 1 15 26 2 16 33 1 17 19 1 17 24 1 18 20 1 18 25 1 19 29 1 20 36 1 21 30 1 21 37 1 22 23 1 34 22 -2 24 28 1 25 26 1 25 27 2 26 38 1 27 31 1 27 37 1 33 29 -1 30 32 1 31 34 1 32 35 1 33 38 1 34 38 1 35 36 1 36 37 1', '38 41 H 15.05 -13.93 C 24.60 -6.71 C 16.31 -5.13 C 26.50 -8.79 C 24.70 -10.42 C 19.56 -6.57 C 14.56 -14.87 C 13.05 -14.82 C 15.05 -10.07 C 18.78 -7.98 O 15.11 -7.24 O 11.39 -10.79 O 15.08 -8.70 O 11.44 -13.64 C 20.08 -11.18 C 20.90 -10.07 C 22.82 -8.34 C 17.54 -12.93 C 21.87 -7.31 C 16.30 -13.62 C 13.84 -10.76 O 17.54 -7.24 C 16.31 -6.54 C 24.18 -8.04 C 17.54 -11.50 C 18.77 -10.76 C 16.30 -10.76 C 25.13 -9.09 C 20.50 -7.61 C 12.63 -11.50 C 16.30 -9.37 C 12.63 -12.93 C 20.08 -8.95 C 17.54 -8.65 C 13.84 -13.62 C 15.05 -12.93 C 15.05 -11.50 C 18.77 -9.37 36 1 -2 2 24 2 3 23 1 4 28 1 5 28 1 29 6 -2 35 7 -2 35 8 -1 37 9 -1 38 10 -1 11 23 2 30 12 -2 31 13 -1 32 14 -1 15 16 1 15 26 2 16 33 1 17 19 1 17 24 1 18 20 1 18 25 1 19 29 1 20 36 1 21 30 1 21 37 1 22 23 1 34 22 -2 24 28 1 25 26 1 25 27 2 26 38 1 27 31 1 27 37 1 33 29 -1 30 32 1 31 34 1 32 35 1 33 38 1 34 38 1 35 36 1 36 37 1', '38 41 H 15.05 -13.93 C:106 24.60 -6.71 C:21 16.31 -5.13 C:22 26.50 -8.79 C:22 24.70 -10.42 C:18 19.56 -6.57 C:29 14.56 -14.87 C:17 13.05 -14.82 C:23 15.05 -10.07 C:17 18.78 -7.98 O 15.11 -7.24 O 11.39 -10.79 O 15.08 -8.70 O 11.44 -13.64 C:121 20.08 -11.18 C:35 20.90 -10.07 C:31 22.82 -8.34 C:27 17.54 -12.93 C:34 21.87 -7.31 C:18 16.30 -13.62 C:43 13.84 -10.76 O 17.54 -7.24 C:171 16.31 -6.54 C:157 24.18 -8.04 C:126 17.54 -11.50 C:147 18.77 -10.76 C:138 16.30 -10.76 C:34 25.13 -9.09 C:33 20.50 -7.61 C:69 12.63 -11.50 C:69 16.30 -9.37 C:83 12.63 -12.93 C:49 20.08 -8.95 C:79 17.54 -8.65 C:39 13.84 -13.62 C:50 15.05 -12.93 C:38 15.05 -11.50 C:47 18.77 -9.37 36 1 -2 2 24 2 3 23 1 4 28 1 5 28 1 29 6 -2 35 7 -2 35 8 -1 37 9 -1 38 10 -1 11 23 2 30 12 -2 31 13 -1 32 14 -1 15 16 1 15 26 2 16 33 1 17 19 1 17 24 1 18 20 1 18 25 1 19 29 1 20 36 1 21 30 1 21 37 1 22 23 1 34 22 -2 24 28 1 25 26 1 25 27 2 26 38 1 27 31 1 27 37 1 33 29 -1 30 32 1 31 34 1 32 35 1 33 38 1 34 38 1 35 36 1 36 37 1', 'C32H50O5', 514.347, 'C', 'np_03_1338_2', 2091, 'Cambiados 28 x 29', '', '2', 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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(2801, '', '(24Z)-3,4-secotirucalla-4(28),7,24-triene-3,26-dioic acid methyl ester', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@@:5]3([C:4](=[CH2:28])[CH3:29])[CH2:6][CH:7]=[C:8]1[C@:9]([H])([CH2:11][CH2:12][C@@:13]2([CH3:18])[C@:17]([H])([C@@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[C:27](=O)O)[CH2:16][CH2:15][C@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)O[CH3:3001]', '[H][C@@]3(C(=C)C)CC=C1[C@]([H])(CC[C@@]2(C)[C@]([H])([C@@H](C)CCC=C(C)C(=O)O)CC[C@]12C)[C@@]3(C)CCC(=O)OC', '[H][C@@:41]3([C:147](=[CH2:114])[CH3:22])[CH2:28][CH:118]=[C:146]1[C@:49]([H])([CH2:18][CH2:34][C@@:43]2([CH3:16])[C@:53]([H])([C@@H:36]([CH3:18])[CH2:36][CH2:30][CH:145]=[C:127]([CH3:21])[C:175](=O)O)[CH2:28][CH2:34][C@:51]12[CH3:28])[C@@:37]3([CH3:22])[CH2:27][CH2:32][C:175](=O)O[CH3:57]', '38 40 H 16.16 -13.29 H 17.49 -11.03 H 21.01 -9.07 C:26 27.85 -8.01 C:21 20.78 -5.70 C:30 19.98 -11.46 C:19 16.16 -9.29 C:18 19.97 -7.15 C:28 13.70 -12.21 C:3001 10.04 -10.12 C:29 14.90 -14.31 O 24.63 -9.93 O 26.93 -10.69 C:24 25.49 -7.24 C:7 18.70 -12.20 C:23 24.09 -7.53 C:2 13.68 -10.74 C:22 23.14 -6.48 C:6 17.46 -12.91 C:1 14.92 -9.99 C:11 17.46 -8.57 C:16 22.12 -9.29 C:15 21.29 -10.42 C:12 18.70 -7.84 O 11.27 -10.79 C:4 14.92 -12.91 C:25 26.44 -8.32 C:27 26.00 -9.65 C:3 12.46 -10.06 C:8 18.70 -10.74 C:20 21.73 -6.77 C:5 16.16 -12.20 C:9 17.46 -9.99 C:17 21.29 -8.14 C:14 19.96 -9.99 C:10 16.16 -10.74 C:13 19.96 -8.57 O 12.49 -8.66 32 1 -2 33 2 -2 34 3 -1 4 27 1 31 5 -1 35 6 -1 36 7 -1 37 8 -2 9 26 2 10 25 1 11 26 1 12 28 2 13 28 1 14 16 1 14 27 2 15 19 1 15 30 2 16 18 1 17 20 1 17 29 1 18 31 1 19 32 1 20 36 1 21 24 1 21 33 1 22 23 1 22 34 1 23 35 1 24 37 1 25 29 1 26 32 1 27 28 1 30 33 1 30 35 1 31 34 1 32 36 1 33 36 1 34 37 1 35 37 1 29 38 2', '38 40 H 16.16 -13.29 H 17.49 -11.03 H 21.01 -9.07 C 27.85 -8.01 C 20.78 -5.70 C 19.98 -11.46 C 16.16 -9.29 C 19.97 -7.15 C 13.70 -12.21 C 10.04 -10.12 C 14.90 -14.31 O 24.63 -9.93 O 26.93 -10.69 C 25.49 -7.24 C 18.70 -12.20 C 24.09 -7.53 C 13.68 -10.74 C 23.14 -6.48 C 17.46 -12.91 C 14.92 -9.99 C 17.46 -8.57 C 22.12 -9.29 C 21.29 -10.42 C 18.70 -7.84 O 11.27 -10.79 C 14.92 -12.91 C 26.44 -8.32 C 26.00 -9.65 C 12.46 -10.06 C 18.70 -10.74 C 21.73 -6.77 C 16.16 -12.20 C 17.46 -9.99 C 21.29 -8.14 C 19.96 -9.99 C 16.16 -10.74 C 19.96 -8.57 O 12.49 -8.66 32 1 -2 33 2 -2 34 3 -1 4 27 1 31 5 -1 35 6 -1 36 7 -1 37 8 -2 9 26 2 10 25 1 11 26 1 12 28 2 13 28 1 14 16 1 14 27 2 15 19 1 15 30 2 16 18 1 17 20 1 17 29 1 18 31 1 19 32 1 20 36 1 21 24 1 21 33 1 22 23 1 22 34 1 23 35 1 24 37 1 25 29 1 26 32 1 27 28 1 30 33 1 30 35 1 31 34 1 32 36 1 33 36 1 34 37 1 35 37 1 29 38 2', '38 40 H 16.16 -13.29 H 17.49 -11.03 H 21.01 -9.07 C:21 27.85 -8.01 C:18 20.78 -5.70 C:28 19.98 -11.46 C:22 16.16 -9.29 C:16 19.97 -7.15 C:114 13.70 -12.21 C:57 10.04 -10.12 C:22 14.90 -14.31 O 24.63 -9.93 O 26.93 -10.69 C:145 25.49 -7.24 C:118 18.70 -12.20 C:30 24.09 -7.53 C:32 13.68 -10.74 C:36 23.14 -6.48 C:28 17.46 -12.91 C:27 14.92 -9.99 C:18 17.46 -8.57 C:28 22.12 -9.29 C:34 21.29 -10.42 C:34 18.70 -7.84 O 11.27 -10.79 C:147 14.92 -12.91 C:127 26.44 -8.32 C:175 26.00 -9.65 C:175 12.46 -10.06 C:146 18.70 -10.74 C:36 21.73 -6.77 C:41 16.16 -12.20 C:49 17.46 -9.99 C:53 21.29 -8.14 C:51 19.96 -9.99 C:37 16.16 -10.74 C:43 19.96 -8.57 O 12.49 -8.66 32 1 -2 33 2 -2 34 3 -1 4 27 1 31 5 -1 35 6 -1 36 7 -1 37 8 -2 9 26 2 10 25 1 11 26 1 12 28 2 13 28 1 14 16 1 14 27 2 15 19 1 15 30 2 16 18 1 17 20 1 17 29 1 18 31 1 19 32 1 20 36 1 21 24 1 21 33 1 22 23 1 22 34 1 23 35 1 24 37 1 25 29 1 26 32 1 27 28 1 30 33 1 30 35 1 31 34 1 32 36 1 33 36 1 34 37 1 35 37 1 29 38 2', 'C31H48O4', 484.353, 'C', 'ph_37_1143_2', 198, '', '', '2', 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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(2813, '', '3b-[(a-L-arabinopyranosyl)oxy]-19a-hydroxyolean-12-en-28-oic acid 28-b-D-glucopyranosyl ester', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]46[CH2:11][CH:12]=[C:13]2[C@@:14]([CH3:27])([CH2:15][CH2:16][C@@:17]3([C:28](=O)O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[C@@H:19](O)[C@@:18]23[H])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]7([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O[C@@H:101]5O[CH2:105][C@@H:104](O)[C@@H:103](O)[C@@H:102]5O)[CH2:2][CH2:1][C@:10]67[CH3:25]', '[H][C@]46CC=C2[C@@](C)(CC[C@@]3(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@@]23[H])[C@]4(C)CC[C@@]7([H])[C@@](C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]67C', 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C:89 15.82 -11.72 C:108 13.39 -11.70 C:96 25.65 -11.66 C:36 24.44 -5.30 C:40 17.04 -12.43 C:42 21.96 -9.59 C:48 19.50 -9.59 C:56 18.28 -11.72 C:45 23.20 -7.45 C:40 20.75 -10.31 C:37 18.28 -10.31 C:47 24.44 -8.17 52 1 -2 53 2 -2 54 3 -1 49 4 -2 49 5 -1 50 6 -1 50 7 -2 51 8 -2 55 9 -1 56 10 -1 11 36 2 12 21 1 38 13 -2 39 14 -2 40 15 -1 41 16 -2 42 17 -1 43 18 -2 45 19 -2 20 23 1 20 37 2 44 21 -1 22 24 1 22 46 1 23 52 1 24 56 1 25 29 1 25 49 1 26 30 1 26 51 1 27 28 1 27 53 1 28 55 1 29 57 1 30 57 1 31 32 1 31 38 1 32 47 1 33 36 1 48 33 -1 34 44 1 34 48 1 46 35 -1 47 35 -1 57 36 -1 37 51 1 37 54 1 38 39 1 39 42 1 40 41 1 40 43 1 41 44 1 42 47 1 43 48 1 45 49 1 45 54 1 46 50 1 50 53 1 51 55 1 52 55 1 52 56 1 53 56 1 54 57 1', 'C41H66O13', 766.455, 'P', 'ph_57_773_1', 1523, '', '', '1', 1, NULL, NULL),
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(2821, 'ursolic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]5([CH3:23])[CH3:24]', '[H][C@@]45CC[C@]3(C)[C@]([H])(CC=C2[C@]1([H])[C@@H](C)[C@H](C)CC[C@]1(C(=O)O)CC[C@]23C)[C@@]4(C)CC[C@H](O)[C@]5(C)C', '[H][C@@:56]45[CH2:19][CH2:34][C@:40]3([CH3:18])[C@:48]([H])([CH2:24][CH:126]=[C:139]2[C@:54]1([H])[C@@H:40]([CH3:18])[C@H:40]([CH3:22])[CH2:31][CH2:38][C@:48]1([C:180](=O)O)[CH2:25][CH2:29][C@:43]23[CH3:24])[C@@:37]4([CH3:16])[CH2:39][CH2:28][C@H:78](O)[C@:40]5([CH3:29])[CH3:17]', '36 40 H 8.09 -10.74 H 9.30 -8.53 H 12.99 -6.59 C:30 14.22 -1.80 C:29 11.75 -3.22 C:24 5.92 -11.53 C:23 7.68 -11.51 C:27 11.75 -8.91 C:25 8.09 -6.80 C:26 10.55 -6.80 O 16.66 -6.08 O 15.44 -8.17 O 4.41 -10.31 C:12 10.55 -5.36 C:21 15.48 -3.95 C:2 5.63 -8.22 C:11 9.30 -6.08 C:1 6.85 -7.50 C:22 15.48 -5.36 C:6 9.30 -10.34 C:15 12.99 -8.22 C:7 10.55 -9.62 C:16 14.23 -7.50 C:28 15.44 -6.78 C:13 11.75 -6.08 C:20 14.23 -3.22 C:19 12.99 -3.95 C:3 5.63 -9.62 C:4 6.85 -10.34 C:5 8.09 -9.62 C:9 9.30 -7.50 C:18 12.99 -5.36 C:14 11.75 -7.50 C:10 8.09 -8.22 C:8 10.55 -8.22 C:17 14.23 -6.08 30 1 -2 31 2 -2 32 3 -1 26 4 -2 27 5 -1 29 6 -1 29 7 -2 33 8 -2 34 9 -1 35 10 -1 11 24 2 12 24 1 28 13 -1 14 17 1 14 25 2 15 19 1 15 26 1 16 18 1 16 28 1 17 31 1 18 34 1 19 36 1 20 22 1 20 30 1 21 23 1 21 33 1 22 35 1 23 36 1 36 24 -1 25 32 1 25 33 1 26 27 1 27 32 1 28 29 1 29 30 1 30 34 1 31 34 1 31 35 1 32 36 1 33 35 1', '36 40 H 8.09 -10.74 H 9.30 -8.53 H 12.99 -6.59 C 14.22 -1.80 C 11.75 -3.22 C 5.92 -11.53 C 7.68 -11.51 C 11.75 -8.91 C 8.09 -6.80 C 10.55 -6.80 O 16.66 -6.08 O 15.44 -8.17 O 4.41 -10.31 C 10.55 -5.36 C 15.48 -3.95 C 5.63 -8.22 C 9.30 -6.08 C 6.85 -7.50 C 15.48 -5.36 C 9.30 -10.34 C 12.99 -8.22 C 10.55 -9.62 C 14.23 -7.50 C 15.44 -6.78 C 11.75 -6.08 C 14.23 -3.22 C 12.99 -3.95 C 5.63 -9.62 C 6.85 -10.34 C 8.09 -9.62 C 9.30 -7.50 C 12.99 -5.36 C 11.75 -7.50 C 8.09 -8.22 C 10.55 -8.22 C 14.23 -6.08 30 1 -2 31 2 -2 32 3 -1 26 4 -2 27 5 -1 29 6 -1 29 7 -2 33 8 -2 34 9 -1 35 10 -1 11 24 2 12 24 1 28 13 -1 14 17 1 14 25 2 15 19 1 15 26 1 16 18 1 16 28 1 17 31 1 18 34 1 19 36 1 20 22 1 20 30 1 21 23 1 21 33 1 22 35 1 23 36 1 36 24 -1 25 32 1 25 33 1 26 27 1 27 32 1 28 29 1 29 30 1 30 34 1 31 34 1 31 35 1 32 36 1 33 35 1', '36 40 H 8.09 -10.74 H 9.30 -8.53 H 12.99 -6.59 C:22 14.22 -1.80 C:18 11.75 -3.22 C:17 5.92 -11.53 C:29 7.68 -11.51 C:24 11.75 -8.91 C:16 8.09 -6.80 C:18 10.55 -6.80 O 16.66 -6.08 O 15.44 -8.17 O 4.41 -10.31 C:126 10.55 -5.36 C:31 15.48 -3.95 C:28 5.63 -8.22 C:24 9.30 -6.08 C:39 6.85 -7.50 C:38 15.48 -5.36 C:19 9.30 -10.34 C:29 12.99 -8.22 C:34 10.55 -9.62 C:25 14.23 -7.50 C:180 15.44 -6.78 C:139 11.75 -6.08 C:40 14.23 -3.22 C:40 12.99 -3.95 C:78 5.63 -9.62 C:40 6.85 -10.34 C:56 8.09 -9.62 C:48 9.30 -7.50 C:54 12.99 -5.36 C:43 11.75 -7.50 C:37 8.09 -8.22 C:40 10.55 -8.22 C:48 14.23 -6.08 30 1 -2 31 2 -2 32 3 -1 26 4 -2 27 5 -1 29 6 -1 29 7 -2 33 8 -2 34 9 -1 35 10 -1 11 24 2 12 24 1 28 13 -1 14 17 1 14 25 2 15 19 1 15 26 1 16 18 1 16 28 1 17 31 1 18 34 1 19 36 1 20 22 1 20 30 1 21 23 1 21 33 1 22 35 1 23 36 1 36 24 -1 25 32 1 25 33 1 26 27 1 27 32 1 28 29 1 29 30 1 30 34 1 31 34 1 31 35 1 32 36 1 33 35 1', 'C30H48O3', 456.343, 'P', 'JBrazSoc_2004_205_1', 2195, '', '', '1', 1, NULL, NULL),
(2822, 'acetylursolic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@@:8]3([CH3:26])[C@:14]2([CH3:27])[CH2:15][CH2:16][C@@:17]1([C:28](=O)O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@H:19]([CH3:29])[C@@:18]1([H])[C:13]2=[CH:12][CH2:11][C@:9]3([H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@@]3(C)[C@]2(C)CC[C@@]1(C(=O)O)CC[C@@H](C)[C@H](C)[C@@]1([H])C2=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)[C@@]5(C)C', '[H][C@@:56]45[CH2:19][CH2:34][C@@:40]3([CH3:18])[C@:43]2([CH3:24])[CH2:29][CH2:25][C@@:48]1([C:180](=O)O)[CH2:38][CH2:31][C@@H:40]([CH3:22])[C@H:40]([CH3:18])[C@@:54]1([H])[C:139]2=[CH:126][CH2:24][C@:48]3([H])[C@@:37]4([CH3:16])[CH2:38][CH2:24][C@H:81](O[C:171]([CH3:21])=O)[C@@:38]5([CH3:17])[CH3:28]', '39 43 H 9.32 -10.74 H 10.54 -8.53 H 14.23 -6.59 C:30 15.46 -1.80 C:29 12.99 -3.22 C:23 8.92 -11.51 C:24 7.16 -11.53 C:25 9.32 -6.80 C:26 11.79 -6.80 C:27 12.99 -8.91 C:2 6.86 -8.22 C:21 16.72 -3.95 C:3 6.86 -9.63 C:1 8.09 -7.50 C:22 16.72 -5.36 C:16 15.47 -7.50 C:6 10.54 -10.34 C:11 10.54 -6.08 C:7 11.79 -9.63 C:15 14.23 -8.22 C:12 11.79 -5.36 C:20 15.47 -3.22 C:19 14.23 -3.95 C:4 8.09 -10.34 C:17 15.47 -6.08 C:5 9.32 -9.63 C:9 10.54 -7.50 C:18 14.23 -5.36 C:10 9.32 -8.22 C:8 11.79 -8.22 C:13 12.99 -6.08 C:14 12.99 -7.50 C:28 16.68 -6.78 O 16.68 -8.17 O 17.88 -6.08 O 5.65 -10.31 C:3001 4.44 -9.60 C:3002 3.22 -10.29 O 4.45 -8.20 26 1 -2 27 2 -2 28 3 -1 22 4 -2 23 5 -1 24 6 -2 24 7 -1 29 8 -1 30 9 -1 32 10 -2 11 13 1 11 14 1 12 15 1 12 22 1 13 24 1 14 29 1 15 25 1 16 20 1 16 25 1 17 19 1 17 26 1 18 21 1 18 27 1 19 30 1 20 32 1 21 31 2 22 23 1 23 28 1 24 26 1 25 28 1 26 29 1 27 29 1 27 30 1 28 31 1 30 32 1 31 32 1 25 33 -1 33 34 1 33 35 2 13 36 -1 36 37 1 37 38 1 37 39 2', '39 43 H 9.32 -10.74 H 10.54 -8.53 H 14.23 -6.59 C 15.46 -1.80 C 12.99 -3.22 C 8.92 -11.51 C 7.16 -11.53 C 9.32 -6.80 C 11.79 -6.80 C 12.99 -8.91 C 6.86 -8.22 C 16.72 -3.95 C 6.86 -9.63 C 8.09 -7.50 C 16.72 -5.36 C 15.47 -7.50 C 10.54 -10.34 C 10.54 -6.08 C 11.79 -9.63 C 14.23 -8.22 C 11.79 -5.36 C 15.47 -3.22 C 14.23 -3.95 C 8.09 -10.34 C 15.47 -6.08 C 9.32 -9.63 C 10.54 -7.50 C 14.23 -5.36 C 9.32 -8.22 C 11.79 -8.22 C 12.99 -6.08 C 12.99 -7.50 C 16.68 -6.78 O 16.68 -8.17 O 17.88 -6.08 O 5.65 -10.31 C 4.44 -9.60 C 3.22 -10.29 O 4.45 -8.20 26 1 -2 27 2 -2 28 3 -1 22 4 -2 23 5 -1 24 6 -2 24 7 -1 29 8 -1 30 9 -1 32 10 -2 11 13 1 11 14 1 12 15 1 12 22 1 13 24 1 14 29 1 15 25 1 16 20 1 16 25 1 17 19 1 17 26 1 18 21 1 18 27 1 19 30 1 20 32 1 21 31 2 22 23 1 23 28 1 24 26 1 25 28 1 26 29 1 27 29 1 27 30 1 28 31 1 30 32 1 31 32 1 25 33 -1 33 34 1 33 35 2 13 36 -1 36 37 1 37 38 1 37 39 2', '39 43 H 9.32 -10.74 H 10.54 -8.53 H 14.23 -6.59 C:22 15.46 -1.80 C:18 12.99 -3.22 C:28 8.92 -11.51 C:17 7.16 -11.53 C:16 9.32 -6.80 C:18 11.79 -6.80 C:24 12.99 -8.91 C:24 6.86 -8.22 C:31 16.72 -3.95 C:81 6.86 -9.63 C:38 8.09 -7.50 C:38 16.72 -5.36 C:25 15.47 -7.50 C:19 10.54 -10.34 C:24 10.54 -6.08 C:34 11.79 -9.63 C:29 14.23 -8.22 C:126 11.79 -5.36 C:40 15.47 -3.22 C:40 14.23 -3.95 C:38 8.09 -10.34 C:48 15.47 -6.08 C:56 9.32 -9.63 C:48 10.54 -7.50 C:54 14.23 -5.36 C:37 9.32 -8.22 C:40 11.79 -8.22 C:139 12.99 -6.08 C:43 12.99 -7.50 C:180 16.68 -6.78 O 16.68 -8.17 O 17.88 -6.08 O 5.65 -10.31 C:171 4.44 -9.60 C:21 3.22 -10.29 O 4.45 -8.20 26 1 -2 27 2 -2 28 3 -1 22 4 -2 23 5 -1 24 6 -2 24 7 -1 29 8 -1 30 9 -1 32 10 -2 11 13 1 11 14 1 12 15 1 12 22 1 13 24 1 14 29 1 15 25 1 16 20 1 16 25 1 17 19 1 17 26 1 18 21 1 18 27 1 19 30 1 20 32 1 21 31 2 22 23 1 23 28 1 24 26 1 25 28 1 26 29 1 27 29 1 27 30 1 28 31 1 30 32 1 31 32 1 25 33 -1 33 34 1 33 35 2 13 36 -1 36 37 1 37 38 1 37 39 2', 'C32H50O4', 498.364, 'P', 'JBrazSoc_2004_205_2', 2195, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(2823, '23-hydroxyursolic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]34[CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@@:14]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@]34CC=C2[C@]1([H])[C@@H](C)[C@H](C)CC[C@]1(C(=O)O)CC[C@@]2(C)[C@]3(C)CC[C@@]5([H])[C@](C)(CO)[C@@H](O)CC[C@]45C', '[H][C@:48]34[CH2:24][CH:126]=[C:140]2[C@:54]1([H])[C@@H:40]([CH3:18])[C@H:40]([CH3:22])[CH2:31][CH2:38][C@:48]1([C:180](=O)O)[CH2:25][CH2:29][C@@:43]2([CH3:24])[C@:40]3([CH3:18])[CH2:33][CH2:19][C@@:49]5([H])[C@:43]([CH3:13])([CH2:68]O)[C@@H:74](O)[CH2:28][CH2:39][C@:37]45[CH3:16]', '37 41 H 8.12 -10.61 H 9.34 -8.39 H 13.04 -6.44 C:30 14.28 -1.64 C:29 11.80 -3.06 C:23 7.71 -11.38 C:24 5.95 -11.40 C:25 8.12 -6.65 C:26 10.59 -6.65 C:27 11.80 -8.77 C:2 5.65 -8.08 C:21 15.54 -3.79 C:3 5.65 -9.49 C:1 6.88 -7.36 C:22 15.54 -5.21 C:16 14.29 -7.36 C:6 9.34 -10.21 C:11 9.34 -5.93 C:7 10.59 -9.49 C:15 13.04 -8.08 C:12 10.59 -5.21 C:20 14.29 -3.06 C:19 13.04 -3.79 C:4 6.88 -10.21 C:17 14.29 -5.93 C:5 8.12 -9.49 C:9 9.34 -7.36 C:18 13.04 -5.21 C:10 8.12 -8.08 C:8 10.59 -8.08 C:13 11.80 -5.93 C:14 11.80 -7.36 O 4.43 -10.18 C:28 15.50 -6.63 O 7.14 -12.66 O 15.50 -8.03 O 16.71 -5.93 26 1 -2 27 2 -2 28 3 -1 22 4 -2 23 5 -1 24 6 -2 24 7 -1 29 8 -1 30 9 -1 32 10 -2 11 13 1 11 14 1 12 15 1 12 22 1 13 24 1 14 29 1 15 25 1 16 20 1 16 25 1 17 19 1 17 26 1 18 21 1 18 27 1 19 30 1 20 32 1 21 31 2 22 23 1 23 28 1 24 26 1 25 28 1 26 29 1 27 29 1 27 30 1 28 31 1 30 32 1 31 32 1 13 33 -1 25 34 -1 6 35 1 34 36 1 34 37 2', '37 41 H 8.12 -10.61 H 9.34 -8.39 H 13.04 -6.44 C 14.28 -1.64 C 11.80 -3.06 C 7.71 -11.38 C 5.95 -11.40 C 8.12 -6.65 C 10.59 -6.65 C 11.80 -8.77 C 5.65 -8.08 C 15.54 -3.79 C 5.65 -9.49 C 6.88 -7.36 C 15.54 -5.21 C 14.29 -7.36 C 9.34 -10.21 C 9.34 -5.93 C 10.59 -9.49 C 13.04 -8.08 C 10.59 -5.21 C 14.29 -3.06 C 13.04 -3.79 C 6.88 -10.21 C 14.29 -5.93 C 8.12 -9.49 C 9.34 -7.36 C 13.04 -5.21 C 8.12 -8.08 C 10.59 -8.08 C 11.80 -5.93 C 11.80 -7.36 O 4.43 -10.18 C 15.50 -6.63 O 7.14 -12.66 O 15.50 -8.03 O 16.71 -5.93 26 1 -2 27 2 -2 28 3 -1 22 4 -2 23 5 -1 24 6 -2 24 7 -1 29 8 -1 30 9 -1 32 10 -2 11 13 1 11 14 1 12 15 1 12 22 1 13 24 1 14 29 1 15 25 1 16 20 1 16 25 1 17 19 1 17 26 1 18 21 1 18 27 1 19 30 1 20 32 1 21 31 2 22 23 1 23 28 1 24 26 1 25 28 1 26 29 1 27 29 1 27 30 1 28 31 1 30 32 1 31 32 1 13 33 -1 25 34 -1 6 35 1 34 36 1 34 37 2', '37 41 H 8.12 -10.61 H 9.34 -8.39 H 13.04 -6.44 C:22 14.28 -1.64 C:18 11.80 -3.06 C:68 7.71 -11.38 C:13 5.95 -11.40 C:16 8.12 -6.65 C:18 10.59 -6.65 C:24 11.80 -8.77 C:28 5.65 -8.08 C:31 15.54 -3.79 C:74 5.65 -9.49 C:39 6.88 -7.36 C:38 15.54 -5.21 C:25 14.29 -7.36 C:19 9.34 -10.21 C:24 9.34 -5.93 C:33 10.59 -9.49 C:29 13.04 -8.08 C:126 10.59 -5.21 C:40 14.29 -3.06 C:40 13.04 -3.79 C:43 6.88 -10.21 C:48 14.29 -5.93 C:49 8.12 -9.49 C:48 9.34 -7.36 C:54 13.04 -5.21 C:37 8.12 -8.08 C:40 10.59 -8.08 C:140 11.80 -5.93 C:43 11.80 -7.36 O 4.43 -10.18 C:180 15.50 -6.63 O 7.14 -12.66 O 15.50 -8.03 O 16.71 -5.93 26 1 -2 27 2 -2 28 3 -1 22 4 -2 23 5 -1 24 6 -2 24 7 -1 29 8 -1 30 9 -1 32 10 -2 11 13 1 11 14 1 12 15 1 12 22 1 13 24 1 14 29 1 15 25 1 16 20 1 16 25 1 17 19 1 17 26 1 18 21 1 18 27 1 19 30 1 20 32 1 21 31 2 22 23 1 23 28 1 24 26 1 25 28 1 26 29 1 27 29 1 27 30 1 28 31 1 30 32 1 31 32 1 13 33 -1 25 34 -1 6 35 1 34 36 1 34 37 2', 'C30H48O4', 472.342, 'P', 'JBrazSoc_2004_205_3', 2195, '', '', '1', 1, NULL, NULL),
(2824, 'Mateside', '3?-O-?-L-arabinopyranosyl\nrotundic acid', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]35[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]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O[C@@H:101]4O[CH2:105][C@@H:104](O)[C@@H:103](O)[C@@H:102]4O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]35CC=C1[C@@](C)(CC[C@@]2(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@]12[H])[C@]3(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)CC[C@]56C', '[H][C@:48]35[CH2:24][CH:128]=[C:140]1[C@@:42]([CH3:25])([CH2:30][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([CH3:17])[CH2:33][CH2:19][C@@:48]6([H])[C@:44]([CH3:14])([CH2:65]O)[C@@H:82](O[C@@H:107]4O[CH2:67][C@@H:70](O)[C@@H:75](O)[C@@H:73]4O)[CH2:26][CH2:39][C@:37]56[CH3:16]', '47 52 H 20.10 -11.80 H 18.89 -14.00 H 23.79 -9.85 C:30 25.03 -5.06 C:29 22.56 -6.47 C:27 22.56 -12.18 C:24 16.73 -14.79 C:26 21.35 -10.06 C:25 18.89 -10.06 O 27.46 -9.34 O 19.87 -14.75 O 26.25 -11.44 O 10.40 -10.74 O 10.38 -13.53 O 12.79 -14.95 O 22.59 -7.91 C:12 21.35 -8.62 C:23 18.48 -14.77 C:21 26.30 -7.20 C:2 16.43 -11.49 C:11 20.10 -9.34 C:1 17.66 -10.77 C:22 26.30 -8.62 C:15 23.79 -11.49 C:6 20.10 -13.60 C:7 21.35 -12.89 C:16 25.04 -10.77 C:105 12.83 -10.76 O 14.03 -11.47 O 15.23 -13.57 C:28 26.25 -10.04 C:13 22.56 -9.34 C:20 25.04 -6.47 C:104 11.61 -11.45 C:103 11.60 -12.85 C:102 12.80 -13.55 C:3 16.43 -12.89 C:101 14.02 -12.87 C:19 23.79 -7.20 C:14 22.56 -10.77 C:9 20.10 -10.77 C:5 18.89 -12.89 C:4 17.66 -13.60 C:18 23.79 -8.62 C:8 21.35 -11.49 C:10 18.89 -11.49 C:17 25.04 -9.34 41 1 -2 42 2 -2 44 3 -1 33 4 -2 39 5 -1 40 6 -2 43 7 -1 45 8 -1 46 9 -1 10 31 2 11 18 1 12 31 1 34 13 -2 35 14 -2 36 15 -1 39 16 -2 17 21 1 17 32 2 43 18 -2 19 23 1 19 33 1 20 22 1 20 37 1 21 41 1 22 46 1 23 47 1 24 27 1 24 40 1 25 26 1 25 42 1 26 45 1 27 47 1 28 29 1 28 34 1 29 38 1 37 30 -1 38 30 -1 47 31 -1 32 40 1 32 44 1 33 39 1 34 35 1 35 36 1 36 38 1 37 43 1 39 44 1 40 45 1 41 45 1 41 46 1 42 43 1 42 46 1 44 47 1', '47 52 H 20.10 -11.80 H 18.89 -14.00 H 23.79 -9.85 C 25.03 -5.06 C 22.56 -6.47 C 22.56 -12.18 C 16.73 -14.79 C 21.35 -10.06 C 18.89 -10.06 O 27.46 -9.34 O 19.87 -14.75 O 26.25 -11.44 O 10.40 -10.74 O 10.38 -13.53 O 12.79 -14.95 O 22.59 -7.91 C 21.35 -8.62 C 18.48 -14.77 C 26.30 -7.20 C 16.43 -11.49 C 20.10 -9.34 C 17.66 -10.77 C 26.30 -8.62 C 23.79 -11.49 C 20.10 -13.60 C 21.35 -12.89 C 25.04 -10.77 C 12.83 -10.76 O 14.03 -11.47 O 15.23 -13.57 C 26.25 -10.04 C 22.56 -9.34 C 25.04 -6.47 C 11.61 -11.45 C 11.60 -12.85 C 12.80 -13.55 C 16.43 -12.89 C 14.02 -12.87 C 23.79 -7.20 C 22.56 -10.77 C 20.10 -10.77 C 18.89 -12.89 C 17.66 -13.60 C 23.79 -8.62 C 21.35 -11.49 C 18.89 -11.49 C 25.04 -9.34 41 1 -2 42 2 -2 44 3 -1 33 4 -2 39 5 -1 40 6 -2 43 7 -1 45 8 -1 46 9 -1 10 31 2 11 18 1 12 31 1 34 13 -2 35 14 -2 36 15 -1 39 16 -2 17 21 1 17 32 2 43 18 -2 19 23 1 19 33 1 20 22 1 20 37 1 21 41 1 22 46 1 23 47 1 24 27 1 24 40 1 25 26 1 25 42 1 26 45 1 27 47 1 28 29 1 28 34 1 29 38 1 37 30 -1 38 30 -1 47 31 -1 32 40 1 32 44 1 33 39 1 34 35 1 35 36 1 36 38 1 37 43 1 39 44 1 40 45 1 41 45 1 41 46 1 42 43 1 42 46 1 44 47 1', '47 52 H 20.10 -11.80 H 18.89 -14.00 H 23.79 -9.85 C:17 25.03 -5.06 C:27 22.56 -6.47 C:25 22.56 -12.18 C:14 16.73 -14.79 C:17 21.35 -10.06 C:16 18.89 -10.06 O 27.46 -9.34 O 19.87 -14.75 O 26.25 -11.44 O 10.40 -10.74 O 10.38 -13.53 O 12.79 -14.95 O 22.59 -7.91 C:128 21.35 -8.62 C:65 18.48 -14.77 C:27 26.30 -7.20 C:26 16.43 -11.49 C:24 20.10 -9.34 C:39 17.66 -10.77 C:39 26.30 -8.62 C:30 23.79 -11.49 C:19 20.10 -13.60 C:33 21.35 -12.89 C:27 25.04 -10.77 C:67 12.83 -10.76 O 14.03 -11.47 O 15.23 -13.57 C:181 26.25 -10.04 C:140 22.56 -9.34 C:43 25.04 -6.47 C:70 11.61 -11.45 C:75 11.60 -12.85 C:73 12.80 -13.55 C:82 16.43 -12.89 C:107 14.02 -12.87 C:73 23.79 -7.20 C:42 22.56 -10.77 C:48 20.10 -10.77 C:48 18.89 -12.89 C:44 17.66 -13.60 C:55 23.79 -8.62 C:41 21.35 -11.49 C:37 18.89 -11.49 C:49 25.04 -9.34 41 1 -2 42 2 -2 44 3 -1 33 4 -2 39 5 -1 40 6 -2 43 7 -1 45 8 -1 46 9 -1 10 31 2 11 18 1 12 31 1 34 13 -2 35 14 -2 36 15 -1 39 16 -2 17 21 1 17 32 2 43 18 -2 19 23 1 19 33 1 20 22 1 20 37 1 21 41 1 22 46 1 23 47 1 24 27 1 24 40 1 25 26 1 25 42 1 26 45 1 27 47 1 28 29 1 28 34 1 29 38 1 37 30 -1 38 30 -1 47 31 -1 32 40 1 32 44 1 33 39 1 34 35 1 35 36 1 36 38 1 37 43 1 39 44 1 40 45 1 41 45 1 41 46 1 42 43 1 42 46 1 44 47 1', 'C35H56O9', 620.393, 'P', 'JBrazSoc_2004_205_4', 2195, '', '', '1', 1, NULL, NULL),
(2825, 'Ziyu-glycoside I', '3?-O-?-L-arabinopyranosyl pomolic acid 28?-O-?-D-glucopyranosyleste', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]57[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:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@@:19]([CH3:29])(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@@:4]7([CH3:24])[CH2:23]O', '[H][C@@]57CC[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@@H](C)[C@@](C)(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@@]7(C)CO', '[H][C@@:56]57[CH2:19][CH2:34][C@@:41]4([CH3:18])[C@:42]3([CH3:25])[CH2:29][CH2:26][C@@:49]2([C:177](=O)O[C@@H:96]1O[C@H:80]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]1O)[CH2:38][CH2:27][C@@H:42]([CH3:17])[C@@:73]([CH3:27])(O)[C@@:55]2([H])[C:139]3=[CH:129][CH2:24][C@:48]4([H])[C@@:37]5([CH3:16])[CH2:39][CH2:27][C@H:89](O[C@@H:108]6O[CH2:67][C@@H:70](O)[C@@H:75](O)[C@@H:73]6O)[C@@:40]7([CH3:17])[CH2:28]O', '58 64 H 17.69 -11.45 H 16.49 -13.66 H 21.37 -9.50 C:30 22.61 -4.72 C:29 20.15 -6.13 C:27 20.15 -11.83 C:24 14.32 -14.45 C:26 18.94 -9.71 C:25 16.49 -9.71 O 25.03 -8.99 O 17.46 -14.41 O 23.83 -11.09 O 7.98 -10.39 O 7.96 -13.19 O 10.37 -14.61 C:12 18.94 -8.28 C:23 16.08 -14.43 C:21 23.87 -6.86 C:2 14.02 -11.14 C:11 17.69 -8.99 C:1 15.25 -10.42 C:22 23.87 -8.28 C:15 21.37 -11.14 C:6 17.69 -13.26 C:7 18.94 -12.54 C:16 22.62 -10.42 C:105 10.41 -10.41 O 11.61 -11.12 O 12.81 -13.23 C:28 23.83 -9.69 C:13 20.15 -8.99 C:20 22.62 -6.13 C:104 9.19 -11.10 C:103 9.18 -12.50 C:102 10.38 -13.21 C:3 14.02 -12.54 C:101 11.60 -12.52 C:19 21.37 -6.86 C:14 20.15 -10.42 C:9 17.69 -10.42 C:5 16.49 -12.54 C:4 15.25 -13.26 C:18 21.37 -8.28 C:8 18.94 -11.14 C:10 16.49 -11.14 C:17 22.62 -8.99 C:201 25.05 -11.79 C:202 25.05 -13.19 C:203 26.26 -13.89 C:204 27.47 -13.19 C:205 27.47 -11.79 O 26.26 -11.09 O 23.83 -13.89 O 26.26 -15.29 O 28.68 -13.89 C:206 28.68 -11.09 O 29.90 -11.79 O 21.37 -5.46 40 1 -2 41 2 -2 43 3 -1 32 4 -2 38 5 -1 39 6 -2 42 7 -1 44 8 -1 45 9 -1 10 30 2 11 17 1 12 30 1 33 13 -2 34 14 -2 35 15 -1 16 20 1 16 31 2 42 17 -2 18 22 1 18 32 1 19 21 1 19 36 1 20 40 1 21 45 1 22 46 1 23 26 1 23 39 1 24 25 1 24 41 1 25 44 1 26 46 1 27 28 1 27 33 1 28 37 1 36 29 -1 37 29 -1 46 30 -1 31 39 1 31 43 1 32 38 1 33 34 1 34 35 1 35 37 1 36 42 1 38 43 1 39 44 1 40 44 1 40 45 1 41 42 1 41 45 1 43 46 1 47 12 -2 48 49 1 49 50 1 50 51 1 51 52 1 47 52 1 47 48 1 48 53 -1 49 54 -2 50 55 -1 51 56 -2 56 57 1 38 58 -2', '58 64 H 17.69 -11.45 H 16.49 -13.66 H 21.37 -9.50 C 22.61 -4.72 C 20.15 -6.13 C 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(2832, 'Quinovic acid 3-O-quinovoside', 'acid 3-O-a-6-deoxy-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@:9]35[CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@@:14]2([C:27](=O)O)[C@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O[C@@H:101]4O[C@H:105]([CH3:106])[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]35CC=C2[C@]1([H])[C@@H](C)[C@H](C)CC[C@]1(C(=O)O)CC[C@@]2(C(=O)O)[C@]3(C)CC[C@@]6([H])[C@@](C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]56C', '[H][C@:47]35[CH2:23][CH:129]=[C:134]2[C@:55]1([H])[C@@H:39]([CH3:19])[C@H:38]([CH3:21])[CH2:31][CH2:37][C@:49]1([C:180](=O)O)[CH2:25][CH2:27][C@@:57]2([C:178](=O)O)[C@:40]3([CH3:19])[CH2:34][CH2:19][C@@:56]6([H])[C@@:39]([CH3:28])([CH3:17])[C@@H:88](O[C@@H:107]4O[C@H:73]([CH3:18])[C@@H:77](O)[C@H:78](O)[C@H:76]4O)[CH2:26][CH2:39][C@:37]56[CH3:17]', '48 53 H 11.75 -8.47 H 10.54 -10.68 H 15.44 -6.52 C:30 16.67 -1.74 C:29 14.20 -3.16 C:24 8.37 -11.47 C:23 10.13 -11.45 C:25 10.54 -6.73 C:26 13.00 -6.73 O 19.09 -6.01 O 15.42 -9.54 O 17.89 -8.11 O 13.50 -10.06 C:12 13.00 -5.30 C:21 17.93 -3.88 C:2 8.07 -8.16 C:11 11.75 -6.02 C:1 9.30 -7.44 C:22 17.93 -5.30 C:6 11.75 -10.28 C:7 13.00 -9.56 C:16 16.68 -7.44 C:15 15.44 -8.16 O 6.85 -10.25 C:28 17.89 -6.71 C:27 14.20 -8.85 C:13 14.20 -6.02 C:20 16.68 -3.16 C:19 15.44 -3.88 C:3 8.07 -9.56 C:4 9.30 -10.28 C:9 11.75 -7.44 C:5 10.54 -9.56 C:18 15.44 -5.30 C:10 10.54 -8.16 C:8 13.00 -8.16 C:17 16.68 -6.02 C:14 14.20 -7.44 C:101 5.64 -9.54 O 5.66 -8.14 C:105 4.45 -7.43 C:104 3.23 -8.12 C:103 3.22 -9.52 C:102 4.43 -10.23 C:106 4.46 -6.03 O 2.03 -7.41 O 2.00 -10.21 O 4.41 -11.63 32 1 -2 33 2 -2 34 3 -1 28 4 -2 29 5 -1 31 6 -1 31 7 -2 35 8 -1 36 9 -1 10 25 2 11 26 2 12 25 1 13 26 1 14 17 1 14 27 2 15 19 1 15 28 1 16 18 1 16 30 1 17 32 1 18 35 1 19 37 1 20 21 1 20 33 1 21 36 1 22 23 1 22 37 1 23 38 1 30 24 -1 37 25 -1 38 26 -2 27 34 1 27 38 1 28 29 1 29 34 1 30 31 1 31 33 1 32 35 1 32 36 1 33 35 1 34 37 1 36 38 1 39 24 -1 40 41 1 41 42 1 42 43 1 43 44 1 39 44 1 39 40 1 41 45 -1 42 46 -2 43 47 -1 44 48 -2', '48 53 H 11.75 -8.47 H 10.54 -10.68 H 15.44 -6.52 C 16.67 -1.74 C 14.20 -3.16 C 8.37 -11.47 C 10.13 -11.45 C 10.54 -6.73 C 13.00 -6.73 O 19.09 -6.01 O 15.42 -9.54 O 17.89 -8.11 O 13.50 -10.06 C 13.00 -5.30 C 17.93 -3.88 C 8.07 -8.16 C 11.75 -6.02 C 9.30 -7.44 C 17.93 -5.30 C 11.75 -10.28 C 13.00 -9.56 C 16.68 -7.44 C 15.44 -8.16 O 6.85 -10.25 C 17.89 -6.71 C 14.20 -8.85 C 14.20 -6.02 C 16.68 -3.16 C 15.44 -3.88 C 8.07 -9.56 C 9.30 -10.28 C 11.75 -7.44 C 10.54 -9.56 C 15.44 -5.30 C 10.54 -8.16 C 13.00 -8.16 C 16.68 -6.02 C 14.20 -7.44 C 5.64 -9.54 O 5.66 -8.14 C 4.45 -7.43 C 3.23 -8.12 C 3.22 -9.52 C 4.43 -10.23 C 4.46 -6.03 O 2.03 -7.41 O 2.00 -10.21 O 4.41 -11.63 32 1 -2 33 2 -2 34 3 -1 28 4 -2 29 5 -1 31 6 -1 31 7 -2 35 8 -1 36 9 -1 10 25 2 11 26 2 12 25 1 13 26 1 14 17 1 14 27 2 15 19 1 15 28 1 16 18 1 16 30 1 17 32 1 18 35 1 19 37 1 20 21 1 20 33 1 21 36 1 22 23 1 22 37 1 23 38 1 30 24 -1 37 25 -1 38 26 -2 27 34 1 27 38 1 28 29 1 29 34 1 30 31 1 31 33 1 32 35 1 32 36 1 33 35 1 34 37 1 36 38 1 39 24 -1 40 41 1 41 42 1 42 43 1 43 44 1 39 44 1 39 40 1 41 45 -1 42 46 -2 43 47 -1 44 48 -2', '48 53 H 11.75 -8.47 H 10.54 -10.68 H 15.44 -6.52 C:21 16.67 -1.74 C:19 14.20 -3.16 C:17 8.37 -11.47 C:28 10.13 -11.45 C:17 10.54 -6.73 C:19 13.00 -6.73 O 19.09 -6.01 O 15.42 -9.54 O 17.89 -8.11 O 13.50 -10.06 C:129 13.00 -5.30 C:31 17.93 -3.88 C:26 8.07 -8.16 C:23 11.75 -6.02 C:39 9.30 -7.44 C:37 17.93 -5.30 C:19 11.75 -10.28 C:34 13.00 -9.56 C:25 16.68 -7.44 C:27 15.44 -8.16 O 6.85 -10.25 C:180 17.89 -6.71 C:178 14.20 -8.85 C:134 14.20 -6.02 C:38 16.68 -3.16 C:39 15.44 -3.88 C:88 8.07 -9.56 C:39 9.30 -10.28 C:47 11.75 -7.44 C:56 10.54 -9.56 C:55 15.44 -5.30 C:37 10.54 -8.16 C:40 13.00 -8.16 C:49 16.68 -6.02 C:57 14.20 -7.44 C:107 5.64 -9.54 O 5.66 -8.14 C:73 4.45 -7.43 C:77 3.23 -8.12 C:78 3.22 -9.52 C:76 4.43 -10.23 C:18 4.46 -6.03 O 2.03 -7.41 O 2.00 -10.21 O 4.41 -11.63 32 1 -2 33 2 -2 34 3 -1 28 4 -2 29 5 -1 31 6 -1 31 7 -2 35 8 -1 36 9 -1 10 25 2 11 26 2 12 25 1 13 26 1 14 17 1 14 27 2 15 19 1 15 28 1 16 18 1 16 30 1 17 32 1 18 35 1 19 37 1 20 21 1 20 33 1 21 36 1 22 23 1 22 37 1 23 38 1 30 24 -1 37 25 -1 38 26 -2 27 34 1 27 38 1 28 29 1 29 34 1 30 31 1 31 33 1 32 35 1 32 36 1 33 35 1 34 37 1 36 38 1 39 24 -1 40 41 1 41 42 1 42 43 1 43 44 1 39 44 1 39 40 1 41 45 -1 42 46 -2 43 47 -1 44 48 -2', 'C36H56O9', 632.404, 'P', 'ol04_6_3163_', 389, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(2833, 'Quinovic acid', '', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]45[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH:12]=[C:13]2[C@:18]1([H])[C@@H:19]([CH3:29])[C@H:20]([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@@:14]23[C:27](=O)O)[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]5([CH3:24])[CH3:23]', '[H][C@@]45CC[C@]3(C)[C@]([H])(CC=C2[C@]1([H])[C@@H](C)[C@H](C)CC[C@]1(C(=O)O)CC[C@@]23C(=O)O)[C@@]4(C)CC[C@H](O)[C@@]5(C)C', '[H][C@@:57]45[CH2:20][CH2:38][C@:41]3([CH3:19])[C@:48]([H])([CH2:24][CH:130]=[C:135]2[C@:56]1([H])[C@@H:40]([CH3:19])[C@H:38]([CH3:22])[CH2:31][CH2:38][C@:49]1([C:181](=O)O)[CH2:26][CH2:27][C@@:58]23[C:179](=O)O)[C@@:38]4([CH3:17])[CH2:40][CH2:26][C@H:79](O)[C@@:40]5([CH3:17])[CH3:29]', '38 42 H 8.01 -10.68 H 9.31 -8.46 H 12.98 -6.61 C:30 14.20 -1.77 C:29 11.77 -3.20 C:23 7.50 -11.56 C:24 6.02 -11.51 C:25 8.01 -6.74 C:26 10.53 -6.74 O 16.63 -6.01 O 12.99 -9.60 O 15.44 -8.12 O 11.09 -10.12 O 4.39 -10.37 C:12 10.52 -5.35 C:21 15.44 -3.91 C:2 5.59 -8.17 C:11 9.28 -6.04 C:1 6.78 -7.44 C:22 15.44 -5.35 C:6 9.28 -10.32 C:7 10.52 -9.62 C:16 14.21 -7.44 C:15 12.98 -8.17 C:28 15.43 -6.72 C:27 11.77 -8.90 C:13 11.75 -6.04 C:20 14.21 -3.17 C:19 12.98 -3.91 C:3 5.59 -9.62 C:4 6.78 -10.32 C:5 8.01 -9.62 C:9 9.28 -7.44 C:18 12.98 -5.35 C:10 8.01 -8.17 C:8 10.52 -8.17 C:17 14.21 -6.04 C:14 11.75 -7.44 32 1 -2 33 2 -2 34 3 -1 28 4 -2 29 5 -1 31 6 -2 31 7 -1 35 8 -1 36 9 -1 10 25 2 11 26 2 12 25 1 13 26 1 30 14 -1 15 18 1 15 27 2 16 20 1 16 28 1 17 19 1 17 30 1 18 33 1 19 35 1 20 37 1 21 22 1 21 32 1 22 36 1 23 24 1 23 37 1 24 38 1 37 25 -1 38 26 -1 27 34 1 27 38 1 28 29 1 29 34 1 30 31 1 31 32 1 32 35 1 33 35 1 33 36 1 34 37 1 36 38 1', '38 42 H 8.01 -10.68 H 9.31 -8.46 H 12.98 -6.61 C 14.20 -1.77 C 11.77 -3.20 C 7.50 -11.56 C 6.02 -11.51 C 8.01 -6.74 C 10.53 -6.74 O 16.63 -6.01 O 12.99 -9.60 O 15.44 -8.12 O 11.09 -10.12 O 4.39 -10.37 C 10.52 -5.35 C 15.44 -3.91 C 5.59 -8.17 C 9.28 -6.04 C 6.78 -7.44 C 15.44 -5.35 C 9.28 -10.32 C 10.52 -9.62 C 14.21 -7.44 C 12.98 -8.17 C 15.43 -6.72 C 11.77 -8.90 C 11.75 -6.04 C 14.21 -3.17 C 12.98 -3.91 C 5.59 -9.62 C 6.78 -10.32 C 8.01 -9.62 C 9.28 -7.44 C 12.98 -5.35 C 8.01 -8.17 C 10.52 -8.17 C 14.21 -6.04 C 11.75 -7.44 32 1 -2 33 2 -2 34 3 -1 28 4 -2 29 5 -1 31 6 -2 31 7 -1 35 8 -1 36 9 -1 10 25 2 11 26 2 12 25 1 13 26 1 30 14 -1 15 18 1 15 27 2 16 20 1 16 28 1 17 19 1 17 30 1 18 33 1 19 35 1 20 37 1 21 22 1 21 32 1 22 36 1 23 24 1 23 37 1 24 38 1 37 25 -1 38 26 -1 27 34 1 27 38 1 28 29 1 29 34 1 30 31 1 31 32 1 32 35 1 33 35 1 33 36 1 34 37 1 36 38 1', '38 42 H 8.01 -10.68 H 9.31 -8.46 H 12.98 -6.61 C:22 14.20 -1.77 C:19 11.77 -3.20 C:29 7.50 -11.56 C:17 6.02 -11.51 C:17 8.01 -6.74 C:19 10.53 -6.74 O 16.63 -6.01 O 12.99 -9.60 O 15.44 -8.12 O 11.09 -10.12 O 4.39 -10.37 C:130 10.52 -5.35 C:31 15.44 -3.91 C:26 5.59 -8.17 C:24 9.28 -6.04 C:40 6.78 -7.44 C:38 15.44 -5.35 C:20 9.28 -10.32 C:38 10.52 -9.62 C:26 14.21 -7.44 C:27 12.98 -8.17 C:181 15.43 -6.72 C:179 11.77 -8.90 C:135 11.75 -6.04 C:38 14.21 -3.17 C:40 12.98 -3.91 C:79 5.59 -9.62 C:40 6.78 -10.32 C:57 8.01 -9.62 C:48 9.28 -7.44 C:56 12.98 -5.35 C:38 8.01 -8.17 C:41 10.52 -8.17 C:49 14.21 -6.04 C:58 11.75 -7.44 32 1 -2 33 2 -2 34 3 -1 28 4 -2 29 5 -1 31 6 -2 31 7 -1 35 8 -1 36 9 -1 10 25 2 11 26 2 12 25 1 13 26 1 30 14 -1 15 18 1 15 27 2 16 20 1 16 28 1 17 19 1 17 30 1 18 33 1 19 35 1 20 37 1 21 22 1 21 32 1 22 36 1 23 24 1 23 37 1 24 38 1 37 25 -1 38 26 -1 27 34 1 27 38 1 28 29 1 29 34 1 30 31 1 31 32 1 32 35 1 33 35 1 33 36 1 34 37 1 36 38 1', 'C30H46O5', 486.342, 'P', 'ol04_6_3163_', 389, '', '', '1', 1, NULL, NULL),
(2834, 'Cincholic acid', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@@:14]5([C:27](=O)O)[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)O)CC[C@@]5(C(=O)O)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:45]12[CH2:45][C@@:32]([CH3:34])([CH3:24])[CH2:35][CH2:32][C@:48]1([C:181](=O)O)[CH2:26][CH2:26][C@@:57]5([C:179](=O)O)[C:139]2=[CH:127][CH2:24][C@:48]4([H])[C@@:38]3([CH3:17])[CH2:40][CH2:26][C@H:79](O)[C@:40]([CH3:29])([CH3:17])[C@:56]3([H])[CH2:20][CH2:38][C@:41]45[CH3:20]', '38 42 H 13.00 -6.51 H 8.02 -10.59 H 9.32 -8.36 C:30 13.43 -1.90 C:29 15.06 -1.91 C:24 6.02 -11.42 C:23 7.51 -11.47 C:27 11.79 -8.80 C:26 10.54 -6.64 C:25 8.02 -6.64 C:12 10.53 -5.24 C:11 9.29 -5.93 C:21 15.47 -3.80 C:22 15.47 -5.24 C:16 14.23 -7.34 C:6 9.29 -10.22 C:15 13.00 -8.07 C:7 10.53 -9.52 C:2 5.59 -8.07 C:19 13.00 -3.80 C:13 11.77 -5.93 C:3 5.59 -9.52 C:1 6.79 -7.34 C:20 14.23 -3.07 C:4 6.79 -10.22 C:18 13.00 -5.24 C:17 14.23 -5.93 C:5 8.02 -9.52 C:9 9.29 -7.34 C:14 11.77 -7.34 C:8 10.53 -8.07 C:10 8.02 -8.07 C:28 15.46 -6.62 O 15.47 -8.02 O 16.66 -5.90 O 4.40 -10.27 O 13.01 -9.50 O 11.81 -10.20 26 1 -1 28 2 -2 29 3 -2 24 4 -1 24 5 -2 25 6 -1 25 7 -2 30 8 -1 31 9 -1 32 10 -1 11 12 1 11 21 2 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 1 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 27 33 -1 33 34 1 33 35 2 22 36 -1 8 37 2 8 38 1', '38 42 H 13.00 -6.51 H 8.02 -10.59 H 9.32 -8.36 C 13.43 -1.90 C 15.06 -1.91 C 6.02 -11.42 C 7.51 -11.47 C 11.79 -8.80 C 10.54 -6.64 C 8.02 -6.64 C 10.53 -5.24 C 9.29 -5.93 C 15.47 -3.80 C 15.47 -5.24 C 14.23 -7.34 C 9.29 -10.22 C 13.00 -8.07 C 10.53 -9.52 C 5.59 -8.07 C 13.00 -3.80 C 11.77 -5.93 C 5.59 -9.52 C 6.79 -7.34 C 14.23 -3.07 C 6.79 -10.22 C 13.00 -5.24 C 14.23 -5.93 C 8.02 -9.52 C 9.29 -7.34 C 11.77 -7.34 C 10.53 -8.07 C 8.02 -8.07 C 15.46 -6.62 O 15.47 -8.02 O 16.66 -5.90 O 4.40 -10.27 O 13.01 -9.50 O 11.81 -10.20 26 1 -1 28 2 -2 29 3 -2 24 4 -1 24 5 -2 25 6 -1 25 7 -2 30 8 -1 31 9 -1 32 10 -1 11 12 1 11 21 2 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 1 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 27 33 -1 33 34 1 33 35 2 22 36 -1 8 37 2 8 38 1', '38 42 H 13.00 -6.51 H 8.02 -10.59 H 9.32 -8.36 C:24 13.43 -1.90 C:34 15.06 -1.91 C:17 6.02 -11.42 C:29 7.51 -11.47 C:179 11.79 -8.80 C:20 10.54 -6.64 C:17 8.02 -6.64 C:127 10.53 -5.24 C:24 9.29 -5.93 C:35 15.47 -3.80 C:32 15.47 -5.24 C:26 14.23 -7.34 C:20 9.29 -10.22 C:26 13.00 -8.07 C:38 10.53 -9.52 C:26 5.59 -8.07 C:45 13.00 -3.80 C:139 11.77 -5.93 C:79 5.59 -9.52 C:40 6.79 -7.34 C:32 14.23 -3.07 C:40 6.79 -10.22 C:45 13.00 -5.24 C:48 14.23 -5.93 C:56 8.02 -9.52 C:48 9.29 -7.34 C:57 11.77 -7.34 C:41 10.53 -8.07 C:38 8.02 -8.07 C:181 15.46 -6.62 O 15.47 -8.02 O 16.66 -5.90 O 4.40 -10.27 O 13.01 -9.50 O 11.81 -10.20 26 1 -1 28 2 -2 29 3 -2 24 4 -1 24 5 -2 25 6 -1 25 7 -2 30 8 -1 31 9 -1 32 10 -1 11 12 1 11 21 2 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 1 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 27 33 -1 33 34 1 33 35 2 22 36 -1 8 37 2 8 38 1', 'C30H46O5', 486.342, 'P', 'ol04_6_3163_', 389, '', '', '1', 1, NULL, NULL),
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