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
(11382, 'Dehydroeburiconic acid', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]3([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[C:21](=O)O)[CH2:16][CH2:15][C@@:14]4([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C:3](=O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@@H](CCC(=C)C(C)C)C(=O)O)CC[C@@]4(C)C2=CC[C@@]1([H])[C@@](C)(C)C(=O)CC[C@]1(C)C2=CC[C@]34C', '[H][C@:48]3([C@@H:49]([CH2:32][CH2:33][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:178](=O)O)[CH2:27][CH2:32][C@@:50]4([CH3:26])[C:143]2=[CH:121][CH2:24][C@@:51]1([H])[C@@:47]([CH3:26])([CH3:22])[C:215](=O)[CH2:35][CH2:37][C@:38]1([CH3:22])[C:145]2=[CH:118][CH2:36][C@:44]34[CH3:16]', '36 39 H 17.05 -10.42 H 12.17 -14.54 C:24001 21.89 -7.27 C:26 23.72 -9.32 C:27 21.89 -10.94 C:28 11.67 -15.42 C:29 10.17 -15.37 C:19 12.17 -10.58 C:30 15.94 -12.74 C:18 15.94 -8.47 O 17.25 -5.72 O 8.56 -14.19 O 15.39 -7.27 C:7 14.69 -13.47 C:11 13.46 -9.87 C:23 20.01 -8.84 C:2 9.73 -12.01 C:6 13.46 -14.19 C:12 14.69 -9.16 C:22 19.08 -7.81 C:1 10.96 -11.27 C:16 18.08 -10.58 C:15 17.25 -11.70 C:24 21.40 -8.56 C:21 16.75 -7.03 C:3 9.73 -13.47 C:9 13.46 -11.27 C:8 14.69 -12.01 C:25 22.32 -9.62 C:20 17.68 -8.10 C:4 10.96 -14.19 C:17 17.25 -9.44 C:5 12.17 -13.47 C:10 12.17 -12.01 C:14 15.94 -11.27 C:13 15.94 -9.87 32 1 -2 33 2 -2 3 24 2 4 29 1 5 29 1 31 6 -2 31 7 -1 34 8 -1 35 9 -2 36 10 -1 11 25 2 12 26 2 13 25 1 14 18 1 14 28 2 15 19 1 15 27 2 16 20 1 16 24 1 17 21 1 17 26 1 18 33 1 19 36 1 20 30 1 21 34 1 22 23 1 22 32 1 23 35 1 24 29 1 30 25 -2 26 31 1 27 28 1 27 34 1 28 35 1 30 32 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 17.05 -10.42 H 12.17 -14.54 C 21.89 -7.27 C 23.72 -9.32 C 21.89 -10.94 C 11.67 -15.42 C 10.17 -15.37 C 12.17 -10.58 C 15.94 -12.74 C 15.94 -8.47 O 17.25 -5.72 O 8.56 -14.19 O 15.39 -7.27 C 14.69 -13.47 C 13.46 -9.87 C 20.01 -8.84 C 9.73 -12.01 C 13.46 -14.19 C 14.69 -9.16 C 19.08 -7.81 C 10.96 -11.27 C 18.08 -10.58 C 17.25 -11.70 C 21.40 -8.56 C 16.75 -7.03 C 9.73 -13.47 C 13.46 -11.27 C 14.69 -12.01 C 22.32 -9.62 C 17.68 -8.10 C 10.96 -14.19 C 17.25 -9.44 C 12.17 -13.47 C 12.17 -12.01 C 15.94 -11.27 C 15.94 -9.87 32 1 -2 33 2 -2 3 24 2 4 29 1 5 29 1 31 6 -2 31 7 -1 34 8 -1 35 9 -2 36 10 -1 11 25 2 12 26 2 13 25 1 14 18 1 14 28 2 15 19 1 15 27 2 16 20 1 16 24 1 17 21 1 17 26 1 18 33 1 19 36 1 20 30 1 21 34 1 22 23 1 22 32 1 23 35 1 24 29 1 30 25 -2 26 31 1 27 28 1 27 34 1 28 35 1 30 32 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 17.05 -10.42 H 12.17 -14.54 C:107 21.89 -7.27 C:22 23.72 -9.32 C:22 21.89 -10.94 C:26 11.67 -15.42 C:22 10.17 -15.37 C:22 12.17 -10.58 C:26 15.94 -12.74 C:16 15.94 -8.47 O 17.25 -5.72 O 8.56 -14.19 O 15.39 -7.27 C:121 14.69 -13.47 C:118 13.46 -9.87 C:33 20.01 -8.84 C:35 9.73 -12.01 C:24 13.46 -14.19 C:36 14.69 -9.16 C:32 19.08 -7.81 C:37 10.96 -11.27 C:27 18.08 -10.58 C:32 17.25 -11.70 C:156 21.40 -8.56 C:178 16.75 -7.03 C:215 9.73 -13.47 C:145 13.46 -11.27 C:143 14.69 -12.01 C:34 22.32 -9.62 C:49 17.68 -8.10 C:47 10.96 -14.19 C:48 17.25 -9.44 C:51 12.17 -13.47 C:38 12.17 -12.01 C:50 15.94 -11.27 C:44 15.94 -9.87 32 1 -2 33 2 -2 3 24 2 4 29 1 5 29 1 31 6 -2 31 7 -1 34 8 -1 35 9 -2 36 10 -1 11 25 2 12 26 2 13 25 1 14 18 1 14 28 2 15 19 1 15 27 2 16 20 1 16 24 1 17 21 1 17 26 1 18 33 1 19 36 1 20 30 1 21 34 1 22 23 1 22 32 1 23 35 1 24 29 1 30 25 -2 26 31 1 27 28 1 27 34 1 28 35 1 30 32 1 31 33 1 32 36 1 33 34 1 35 36 1', 'C31H46O3', 466.346, 'P', 'ph39_1165_7', 2957, '', '', '2', 1, NULL, NULL),
(11383, 'Poricoic acid E', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@@H:20]([CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH2:27]O)[C:21](=O)O)[C@H:16](O)[CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O)[C:9]1=[CH:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@@H](CCC=C(C)CO)C(=O)O)[C@H](O)C[C@@]3(C)C1=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)O)C1=CC[C@]23C', '[H][C@:58]2([C@@H:48]([CH2:33][CH2:27][CH:127]=[C:137]([CH3:22])[CH2:61]O)[C:179](=O)O)[C@H:76](O)[CH2:44][C@@:49]3([CH3:25])[C:142]1=[CH:118][CH2:29][C@@H:51]([C:149](=[CH2:112])[CH3:22])[C@:39]([CH3:22])([CH2:36][CH2:30][C:177](=O)O)[C:138]1=[CH:120][CH2:37][C@:46]23[CH3:18]', '37 39 H 17.62 -10.36 C:28 11.55 -15.47 C:29 10.35 -13.41 C:26 24.29 -9.26 C:19 12.77 -10.52 C:30 16.53 -12.68 C:18 16.51 -8.42 O 9.13 -9.87 O 17.82 -5.67 O 23.37 -11.92 O 7.92 -11.94 O 15.96 -7.22 O 20.05 -10.53 C:24 21.98 -8.51 C:7 15.26 -13.41 C:11 14.05 -9.81 C:27 22.47 -10.88 C:23 20.58 -8.78 C:6 14.05 -14.09 C:2 10.35 -11.95 C:12 15.26 -9.10 C:22 19.67 -7.74 C:1 11.55 -11.21 C:15 17.82 -11.64 C:4 11.55 -14.09 C:25 22.91 -9.57 C:3 9.13 -11.25 C:21 17.33 -6.98 C:9 14.05 -11.21 C:8 15.26 -11.95 C:16 18.65 -10.52 C:5 12.77 -13.41 C:20 18.25 -8.03 C:17 17.82 -9.39 C:10 12.77 -11.95 C:14 16.53 -11.21 C:13 16.53 -9.81 34 1 -2 2 25 2 3 25 1 4 26 1 35 5 -1 36 6 -2 37 7 -1 8 27 2 9 28 2 10 17 1 11 27 1 12 28 1 31 13 -2 14 18 1 14 26 2 15 19 1 15 30 2 16 21 1 16 29 2 17 26 1 18 22 1 19 32 1 20 23 1 20 27 1 21 37 1 22 33 1 23 35 1 24 31 1 24 36 1 32 25 -1 33 28 -2 29 30 1 29 35 1 30 36 1 31 34 1 32 35 1 33 34 1 34 37 1 36 37 1', '37 39 H 17.62 -10.36 C 11.55 -15.47 C 10.35 -13.41 C 24.29 -9.26 C 12.77 -10.52 C 16.53 -12.68 C 16.51 -8.42 O 9.13 -9.87 O 17.82 -5.67 O 23.37 -11.92 O 7.92 -11.94 O 15.96 -7.22 O 20.05 -10.53 C 21.98 -8.51 C 15.26 -13.41 C 14.05 -9.81 C 22.47 -10.88 C 20.58 -8.78 C 14.05 -14.09 C 10.35 -11.95 C 15.26 -9.10 C 19.67 -7.74 C 11.55 -11.21 C 17.82 -11.64 C 11.55 -14.09 C 22.91 -9.57 C 9.13 -11.25 C 17.33 -6.98 C 14.05 -11.21 C 15.26 -11.95 C 18.65 -10.52 C 12.77 -13.41 C 18.25 -8.03 C 17.82 -9.39 C 12.77 -11.95 C 16.53 -11.21 C 16.53 -9.81 34 1 -2 2 25 2 3 25 1 4 26 1 35 5 -1 36 6 -2 37 7 -1 8 27 2 9 28 2 10 17 1 11 27 1 12 28 1 31 13 -2 14 18 1 14 26 2 15 19 1 15 30 2 16 21 1 16 29 2 17 26 1 18 22 1 19 32 1 20 23 1 20 27 1 21 37 1 22 33 1 23 35 1 24 31 1 24 36 1 32 25 -1 33 28 -2 29 30 1 29 35 1 30 36 1 31 34 1 32 35 1 33 34 1 34 37 1 36 37 1', '37 39 H 17.62 -10.36 C:112 11.55 -15.47 C:22 10.35 -13.41 C:22 24.29 -9.26 C:22 12.77 -10.52 C:25 16.53 -12.68 C:18 16.51 -8.42 O 9.13 -9.87 O 17.82 -5.67 O 23.37 -11.92 O 7.92 -11.94 O 15.96 -7.22 O 20.05 -10.53 C:127 21.98 -8.51 C:118 15.26 -13.41 C:120 14.05 -9.81 C:61 22.47 -10.88 C:27 20.58 -8.78 C:29 14.05 -14.09 C:30 10.35 -11.95 C:37 15.26 -9.10 C:33 19.67 -7.74 C:36 11.55 -11.21 C:44 17.82 -11.64 C:149 11.55 -14.09 C:137 22.91 -9.57 C:177 9.13 -11.25 C:179 17.33 -6.98 C:138 14.05 -11.21 C:142 15.26 -11.95 C:76 18.65 -10.52 C:51 12.77 -13.41 C:48 18.25 -8.03 C:58 17.82 -9.39 C:39 12.77 -11.95 C:49 16.53 -11.21 C:46 16.53 -9.81 34 1 -2 2 25 2 3 25 1 4 26 1 35 5 -1 36 6 -2 37 7 -1 8 27 2 9 28 2 10 17 1 11 27 1 12 28 1 31 13 -2 14 18 1 14 26 2 15 19 1 15 30 2 16 21 1 16 29 2 17 26 1 18 22 1 19 32 1 20 23 1 20 27 1 21 37 1 22 33 1 23 35 1 24 31 1 24 36 1 32 25 -1 33 28 -2 29 30 1 29 35 1 30 36 1 31 34 1 32 35 1 33 34 1 34 37 1 36 37 1', 'C30H44O6', 500.325, 'P', 'ph39_1165_3', 2957, '', '', '2', 1, NULL, NULL),
(11384, 'Poricoic acid BM', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@@H:20]([CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26])[C:21](=O)O)[C@H:16](O)[CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O[CH3:3001])[C:9]1=[CH:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]3(C)C1=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C1=CC[C@]23C', '[H][C@:58]2([C@@H:48]([CH2:33][CH2:27][CH:125]=[C:132]([CH3:18])[CH3:26])[C:179](=O)O)[C@H:76](O)[CH2:44][C@@:49]3([CH3:25])[C:142]1=[CH:118][CH2:29][C@@H:51]([C:149](=[CH2:112])[CH3:22])[C@:39]([CH3:22])([CH2:36][CH2:30][C:174](=O)O[CH3:51])[C:137]1=[CH:120][CH2:37][C@:46]23[CH3:18]', '37 39 H 18.23 -10.36 C:28 12.17 -15.47 C:3001 7.33 -11.23 C:27 23.08 -10.88 C:26 24.90 -9.26 C:29 10.97 -13.41 C:19 13.39 -10.52 C:30 17.14 -12.68 C:18 17.14 -8.42 O 18.43 -5.67 O 9.75 -9.87 O 16.57 -7.22 O 20.66 -10.53 C:24 22.59 -8.51 C:7 15.87 -13.41 C:11 14.66 -9.81 C:23 21.19 -8.78 C:6 14.66 -14.09 C:2 10.97 -11.95 C:12 15.87 -9.10 C:22 20.28 -7.74 C:1 12.17 -11.21 C:15 18.43 -11.64 O 8.54 -11.94 C:25 23.52 -9.57 C:4 12.17 -14.09 C:21 17.94 -6.98 C:3 9.75 -11.25 C:9 14.66 -11.21 C:8 15.87 -11.95 C:16 19.26 -10.52 C:5 13.39 -13.41 C:20 18.86 -8.03 C:17 18.43 -9.39 C:10 13.39 -11.95 C:14 17.14 -11.21 C:13 17.14 -9.81 34 1 -2 2 26 2 3 24 1 4 25 1 5 25 1 6 26 1 35 7 -1 36 8 -2 37 9 -1 10 27 2 11 28 2 12 27 1 31 13 -2 14 17 1 14 25 2 15 18 1 15 30 2 16 20 1 16 29 2 17 21 1 18 32 1 19 22 1 19 28 1 20 37 1 21 33 1 22 35 1 23 31 1 23 36 1 24 28 1 32 26 -1 33 27 -2 29 30 1 29 35 1 30 36 1 31 34 1 32 35 1 33 34 1 34 37 1 36 37 1', '37 39 H 18.23 -10.36 C 12.17 -15.47 C 7.33 -11.23 C 23.08 -10.88 C 24.90 -9.26 C 10.97 -13.41 C 13.39 -10.52 C 17.14 -12.68 C 17.14 -8.42 O 18.43 -5.67 O 9.75 -9.87 O 16.57 -7.22 O 20.66 -10.53 C 22.59 -8.51 C 15.87 -13.41 C 14.66 -9.81 C 21.19 -8.78 C 14.66 -14.09 C 10.97 -11.95 C 15.87 -9.10 C 20.28 -7.74 C 12.17 -11.21 C 18.43 -11.64 O 8.54 -11.94 C 23.52 -9.57 C 12.17 -14.09 C 17.94 -6.98 C 9.75 -11.25 C 14.66 -11.21 C 15.87 -11.95 C 19.26 -10.52 C 13.39 -13.41 C 18.86 -8.03 C 18.43 -9.39 C 13.39 -11.95 C 17.14 -11.21 C 17.14 -9.81 34 1 -2 2 26 2 3 24 1 4 25 1 5 25 1 6 26 1 35 7 -1 36 8 -2 37 9 -1 10 27 2 11 28 2 12 27 1 31 13 -2 14 17 1 14 25 2 15 18 1 15 30 2 16 20 1 16 29 2 17 21 1 18 32 1 19 22 1 19 28 1 20 37 1 21 33 1 22 35 1 23 31 1 23 36 1 24 28 1 32 26 -1 33 27 -2 29 30 1 29 35 1 30 36 1 31 34 1 32 35 1 33 34 1 34 37 1 36 37 1', '37 39 H 18.23 -10.36 C:112 12.17 -15.47 C:51 7.33 -11.23 C:18 23.08 -10.88 C:26 24.90 -9.26 C:22 10.97 -13.41 C:22 13.39 -10.52 C:25 17.14 -12.68 C:18 17.14 -8.42 O 18.43 -5.67 O 9.75 -9.87 O 16.57 -7.22 O 20.66 -10.53 C:125 22.59 -8.51 C:118 15.87 -13.41 C:120 14.66 -9.81 C:27 21.19 -8.78 C:29 14.66 -14.09 C:30 10.97 -11.95 C:37 15.87 -9.10 C:33 20.28 -7.74 C:36 12.17 -11.21 C:44 18.43 -11.64 O 8.54 -11.94 C:132 23.52 -9.57 C:149 12.17 -14.09 C:179 17.94 -6.98 C:174 9.75 -11.25 C:137 14.66 -11.21 C:142 15.87 -11.95 C:76 19.26 -10.52 C:51 13.39 -13.41 C:48 18.86 -8.03 C:58 18.43 -9.39 C:39 13.39 -11.95 C:49 17.14 -11.21 C:46 17.14 -9.81 34 1 -2 2 26 2 3 24 1 4 25 1 5 25 1 6 26 1 35 7 -1 36 8 -2 37 9 -1 10 27 2 11 28 2 12 27 1 31 13 -2 14 17 1 14 25 2 15 18 1 15 30 2 16 20 1 16 29 2 17 21 1 18 32 1 19 22 1 19 28 1 20 37 1 21 33 1 22 35 1 23 31 1 23 36 1 24 28 1 32 26 -1 33 27 -2 29 30 1 29 35 1 30 36 1 31 34 1 32 35 1 33 34 1 34 37 1 36 37 1', 'C31H46O5', 498.337, 'P', 'ph39_1165_4', 2957, '', '', '2', 1, NULL, NULL),
(11385, 'dimethyl Poricoate F', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[C:21](=O)O[CH3:21001])[C@H:16](O)[CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH2:29]O)[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O[CH3:3001])[C:9]1=[CH:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@@H](CCC(=C)C(C)C)C(=O)OC)[C@H](O)C[C@@]3(C)C1=CC[C@@H](C(=C)CO)[C@](C)(CCC(=O)OC)C1=CC[C@]23C', '[H][C@:58]2([C@@H:48]([CH2:31][CH2:33][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:176](=O)O[CH3:51])[C@H:76](O)[CH2:44][C@@:49]3([CH3:25])[C:142]1=[CH:118][CH2:29][C@@H:46]([C:154](=[CH2:109])[CH2:65]O)[C@:39]([CH3:22])([CH2:36][CH2:30][C:175](=O)O[CH3:51])[C:137]1=[CH:121][CH2:37][C@:45]23[CH3:18]', '40 42 H 18.23 -10.35 C:28 12.15 -15.46 C:24001 23.08 -7.19 C:3001 7.32 -11.21 C:21001 15.67 -6.14 C:27 23.08 -10.86 C:26 24.89 -9.26 C:19 13.38 -10.50 C:30 17.14 -12.67 C:18 17.14 -8.42 O 9.78 -9.86 O 18.43 -5.67 O 9.78 -14.17 O 20.66 -10.51 C:7 15.87 -13.40 C:11 14.66 -9.80 C:29 10.95 -13.40 C:6 14.66 -14.08 C:23 21.19 -8.78 C:2 10.95 -11.93 C:12 15.87 -9.10 C:22 20.28 -7.74 C:1 12.15 -11.19 C:15 18.43 -11.62 O 8.53 -11.92 O 16.57 -7.22 C:4 12.15 -14.08 C:24 22.59 -8.51 C:3 9.78 -11.23 C:21 17.94 -6.98 C:9 14.66 -11.19 C:8 15.87 -11.93 C:25 23.52 -9.57 C:16 19.26 -10.50 C:5 13.38 -13.40 C:20 18.86 -8.03 C:17 18.43 -9.39 C:10 13.38 -11.93 C:14 17.14 -11.19 C:13 17.14 -9.80 37 1 -2 2 27 2 3 28 2 4 25 1 5 26 1 6 33 1 7 33 1 38 8 -1 39 9 -2 40 10 -1 11 29 2 12 30 2 13 17 1 34 14 -2 15 18 1 15 32 2 16 21 1 16 31 2 17 27 1 18 35 1 19 22 1 19 28 1 20 23 1 20 29 1 21 40 1 22 36 1 23 38 1 24 34 1 24 39 1 25 29 1 26 30 1 35 27 -1 28 33 1 36 30 -2 31 32 1 31 38 1 32 39 1 34 37 1 35 38 1 36 37 1 37 40 1 39 40 1', '40 42 H 18.23 -10.35 C 12.15 -15.46 C 23.08 -7.19 C 7.32 -11.21 C 15.67 -6.14 C 23.08 -10.86 C 24.89 -9.26 C 13.38 -10.50 C 17.14 -12.67 C 17.14 -8.42 O 9.78 -9.86 O 18.43 -5.67 O 9.78 -14.17 O 20.66 -10.51 C 15.87 -13.40 C 14.66 -9.80 C 10.95 -13.40 C 14.66 -14.08 C 21.19 -8.78 C 10.95 -11.93 C 15.87 -9.10 C 20.28 -7.74 C 12.15 -11.19 C 18.43 -11.62 O 8.53 -11.92 O 16.57 -7.22 C 12.15 -14.08 C 22.59 -8.51 C 9.78 -11.23 C 17.94 -6.98 C 14.66 -11.19 C 15.87 -11.93 C 23.52 -9.57 C 19.26 -10.50 C 13.38 -13.40 C 18.86 -8.03 C 18.43 -9.39 C 13.38 -11.93 C 17.14 -11.19 C 17.14 -9.80 37 1 -2 2 27 2 3 28 2 4 25 1 5 26 1 6 33 1 7 33 1 38 8 -1 39 9 -2 40 10 -1 11 29 2 12 30 2 13 17 1 34 14 -2 15 18 1 15 32 2 16 21 1 16 31 2 17 27 1 18 35 1 19 22 1 19 28 1 20 23 1 20 29 1 21 40 1 22 36 1 23 38 1 24 34 1 24 39 1 25 29 1 26 30 1 35 27 -1 28 33 1 36 30 -2 31 32 1 31 38 1 32 39 1 34 37 1 35 38 1 36 37 1 37 40 1 39 40 1', '40 42 H 18.23 -10.35 C:109 12.15 -15.46 C:107 23.08 -7.19 C:51 7.32 -11.21 C:51 15.67 -6.14 C:22 23.08 -10.86 C:22 24.89 -9.26 C:22 13.38 -10.50 C:25 17.14 -12.67 C:18 17.14 -8.42 O 9.78 -9.86 O 18.43 -5.67 O 9.78 -14.17 O 20.66 -10.51 C:118 15.87 -13.40 C:121 14.66 -9.80 C:65 10.95 -13.40 C:29 14.66 -14.08 C:33 21.19 -8.78 C:30 10.95 -11.93 C:37 15.87 -9.10 C:31 20.28 -7.74 C:36 12.15 -11.19 C:44 18.43 -11.62 O 8.53 -11.92 O 16.57 -7.22 C:154 12.15 -14.08 C:156 22.59 -8.51 C:175 9.78 -11.23 C:176 17.94 -6.98 C:137 14.66 -11.19 C:142 15.87 -11.93 C:34 23.52 -9.57 C:76 19.26 -10.50 C:46 13.38 -13.40 C:48 18.86 -8.03 C:58 18.43 -9.39 C:39 13.38 -11.93 C:49 17.14 -11.19 C:45 17.14 -9.80 37 1 -2 2 27 2 3 28 2 4 25 1 5 26 1 6 33 1 7 33 1 38 8 -1 39 9 -2 40 10 -1 11 29 2 12 30 2 13 17 1 34 14 -2 15 18 1 15 32 2 16 21 1 16 31 2 17 27 1 18 35 1 19 22 1 19 28 1 20 23 1 20 29 1 21 40 1 22 36 1 23 38 1 24 34 1 24 39 1 25 29 1 26 30 1 35 27 -1 28 33 1 36 30 -2 31 32 1 31 38 1 32 39 1 34 37 1 35 38 1 36 37 1 37 40 1 39 40 1', 'C33H50O6', 542.357, 'P', 'ph39_1165_5a', 2957, '', '', '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
(11395, 'Poricoic acid DM', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[C:25]([CH3:26])([CH3:27])O)[C:21](=O)O)[C@H:16](O)[CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O[CH3:3001])[C:9]1=[CH:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]3(C)C1=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C1=CC[C@]23C', '[H][C@:58]2([C@@H:49]([CH2:32][CH2:30][C:158](=[CH2:107])[C:73]([CH3:30])([CH3:30])O)[C:179](=O)O)[C@H:76](O)[CH2:44][C@@:49]3([CH3:25])[C:142]1=[CH:118][CH2:29][C@@H:51]([C:149](=[CH2:112])[CH3:22])[C@:39]([CH3:22])([CH2:36][CH2:30][C:174](=O)O[CH3:51])[C:137]1=[CH:121][CH2:37][C@:46]23[CH3:18]', '39 41 H 18.24 -10.35 C:28 12.16 -15.46 C:24001 23.09 -7.19 C:3001 7.34 -11.22 C:29 10.94 -13.39 C:26 24.89 -9.26 C:27 23.09 -10.87 C:19 13.38 -10.50 C:30 17.14 -12.67 C:18 17.14 -8.42 O 18.44 -5.67 O 9.78 -9.86 O 16.59 -7.23 O 20.66 -10.47 O 24.45 -10.61 C:7 15.88 -13.39 C:11 14.64 -9.80 C:6 14.64 -14.07 C:23 21.19 -8.78 C:2 10.94 -11.94 C:12 15.88 -9.10 C:22 20.28 -7.75 C:1 12.16 -11.22 C:15 18.44 -11.64 O 8.53 -11.94 C:4 12.16 -14.07 C:24 22.59 -8.51 C:21 17.95 -6.99 C:3 9.78 -11.22 C:9 14.64 -11.22 C:8 15.88 -11.94 C:16 19.26 -10.50 C:5 13.38 -13.39 C:20 18.86 -8.03 C:25 23.53 -9.57 C:17 18.44 -9.39 C:10 13.38 -11.94 C:14 17.14 -11.22 C:13 17.14 -9.80 36 1 -2 2 26 2 3 27 2 4 25 1 5 26 1 6 35 1 7 35 1 37 8 -1 38 9 -2 39 10 -1 11 28 2 12 29 2 13 28 1 32 14 -2 15 35 1 16 18 1 16 31 2 17 21 1 17 30 2 18 33 1 19 22 1 19 27 1 20 23 1 20 29 1 21 39 1 22 34 1 23 37 1 24 32 1 24 38 1 25 29 1 33 26 -1 27 35 1 34 28 -2 30 31 1 30 37 1 31 38 1 32 36 1 33 37 1 34 36 1 36 39 1 38 39 1', '39 41 H 18.24 -10.35 C 12.16 -15.46 C 23.09 -7.19 C 7.34 -11.22 C 10.94 -13.39 C 24.89 -9.26 C 23.09 -10.87 C 13.38 -10.50 C 17.14 -12.67 C 17.14 -8.42 O 18.44 -5.67 O 9.78 -9.86 O 16.59 -7.23 O 20.66 -10.47 O 24.45 -10.61 C 15.88 -13.39 C 14.64 -9.80 C 14.64 -14.07 C 21.19 -8.78 C 10.94 -11.94 C 15.88 -9.10 C 20.28 -7.75 C 12.16 -11.22 C 18.44 -11.64 O 8.53 -11.94 C 12.16 -14.07 C 22.59 -8.51 C 17.95 -6.99 C 9.78 -11.22 C 14.64 -11.22 C 15.88 -11.94 C 19.26 -10.50 C 13.38 -13.39 C 18.86 -8.03 C 23.53 -9.57 C 18.44 -9.39 C 13.38 -11.94 C 17.14 -11.22 C 17.14 -9.80 36 1 -2 2 26 2 3 27 2 4 25 1 5 26 1 6 35 1 7 35 1 37 8 -1 38 9 -2 39 10 -1 11 28 2 12 29 2 13 28 1 32 14 -2 15 35 1 16 18 1 16 31 2 17 21 1 17 30 2 18 33 1 19 22 1 19 27 1 20 23 1 20 29 1 21 39 1 22 34 1 23 37 1 24 32 1 24 38 1 25 29 1 33 26 -1 27 35 1 34 28 -2 30 31 1 30 37 1 31 38 1 32 36 1 33 37 1 34 36 1 36 39 1 38 39 1', '39 41 H 18.24 -10.35 C:112 12.16 -15.46 C:107 23.09 -7.19 C:51 7.34 -11.22 C:22 10.94 -13.39 C:30 24.89 -9.26 C:30 23.09 -10.87 C:22 13.38 -10.50 C:25 17.14 -12.67 C:18 17.14 -8.42 O 18.44 -5.67 O 9.78 -9.86 O 16.59 -7.23 O 20.66 -10.47 O 24.45 -10.61 C:118 15.88 -13.39 C:121 14.64 -9.80 C:29 14.64 -14.07 C:30 21.19 -8.78 C:30 10.94 -11.94 C:37 15.88 -9.10 C:32 20.28 -7.75 C:36 12.16 -11.22 C:44 18.44 -11.64 O 8.53 -11.94 C:149 12.16 -14.07 C:158 22.59 -8.51 C:179 17.95 -6.99 C:174 9.78 -11.22 C:137 14.64 -11.22 C:142 15.88 -11.94 C:76 19.26 -10.50 C:51 13.38 -13.39 C:49 18.86 -8.03 C:73 23.53 -9.57 C:58 18.44 -9.39 C:39 13.38 -11.94 C:49 17.14 -11.22 C:46 17.14 -9.80 36 1 -2 2 26 2 3 27 2 4 25 1 5 26 1 6 35 1 7 35 1 37 8 -1 38 9 -2 39 10 -1 11 28 2 12 29 2 13 28 1 32 14 -2 15 35 1 16 18 1 16 31 2 17 21 1 17 30 2 18 33 1 19 22 1 19 27 1 20 23 1 20 29 1 21 39 1 22 34 1 23 37 1 24 32 1 24 38 1 25 29 1 33 26 -1 27 35 1 34 28 -2 30 31 1 30 37 1 31 38 1 32 36 1 33 37 1 34 36 1 36 39 1 38 39 1', 'C32H48O6', 528.347, 'P', 'ph32_1239_10', 2958, '', '', '2', 1, NULL, NULL),
(11396, 'Poricoic acid AM', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[C:21](=O)O)[C@H:16](O)[CH2:15][C@@:14]3([CH3:30])[C:8]1=[CH:7][CH2:6][C@@H:5]([C:4](=[CH2:28])[CH3:29])[C@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O[CH3:3001])[C:9]1=[CH:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]3(C)C1=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C1=CC[C@]23C', '[H][C@:58]2([C@@H:48]([CH2:31][CH2:33][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:179](=O)O)[C@H:76](O)[CH2:44][C@@:49]3([CH3:25])[C:142]1=[CH:118][CH2:29][C@@H:51]([C:149](=[CH2:112])[CH3:22])[C@:39]([CH3:22])([CH2:36][CH2:30][C:174](=O)O[CH3:51])[C:137]1=[CH:120][CH2:37][C@:46]23[CH3:18]', '38 40 H 18.24 -10.35 C:28 12.16 -15.47 C:24001 23.05 -7.19 C:3001 7.32 -11.25 C:29 10.95 -13.40 C:27 23.09 -10.88 C:26 24.89 -9.26 C:19 13.38 -10.50 C:30 17.14 -12.68 C:18 17.14 -8.42 O 18.44 -5.67 O 9.78 -9.86 O 16.59 -7.23 O 20.66 -10.46 C:7 15.88 -13.40 C:11 14.64 -9.80 C:6 14.64 -14.08 C:23 21.19 -8.78 C:2 10.95 -11.95 C:12 15.88 -9.10 C:22 20.28 -7.75 C:1 12.16 -11.23 C:15 18.44 -11.65 O 8.53 -11.95 C:4 12.16 -14.08 C:24 22.59 -8.51 C:21 17.95 -6.99 C:3 9.78 -11.25 C:9 14.64 -11.25 C:8 15.88 -11.95 C:25 23.53 -9.57 C:16 19.26 -10.50 C:5 13.38 -13.40 C:20 18.86 -8.03 C:17 18.44 -9.39 C:10 13.38 -11.95 C:14 17.14 -11.25 C:13 17.14 -9.80 35 1 -2 2 25 2 3 26 2 4 24 1 5 25 1 6 31 1 7 31 1 36 8 -1 37 9 -2 38 10 -1 11 27 2 12 28 2 13 27 1 32 14 -2 15 17 1 15 30 2 16 20 1 16 29 2 17 33 1 18 21 1 18 26 1 19 22 1 19 28 1 20 38 1 21 34 1 22 36 1 23 32 1 23 37 1 24 28 1 33 25 -1 26 31 1 34 27 -2 29 30 1 29 36 1 30 37 1 32 35 1 33 36 1 34 35 1 35 38 1 37 38 1', '38 40 H 18.24 -10.35 C 12.16 -15.47 C 23.05 -7.19 C 7.32 -11.25 C 10.95 -13.40 C 23.09 -10.88 C 24.89 -9.26 C 13.38 -10.50 C 17.14 -12.68 C 17.14 -8.42 O 18.44 -5.67 O 9.78 -9.86 O 16.59 -7.23 O 20.66 -10.46 C 15.88 -13.40 C 14.64 -9.80 C 14.64 -14.08 C 21.19 -8.78 C 10.95 -11.95 C 15.88 -9.10 C 20.28 -7.75 C 12.16 -11.23 C 18.44 -11.65 O 8.53 -11.95 C 12.16 -14.08 C 22.59 -8.51 C 17.95 -6.99 C 9.78 -11.25 C 14.64 -11.25 C 15.88 -11.95 C 23.53 -9.57 C 19.26 -10.50 C 13.38 -13.40 C 18.86 -8.03 C 18.44 -9.39 C 13.38 -11.95 C 17.14 -11.25 C 17.14 -9.80 35 1 -2 2 25 2 3 26 2 4 24 1 5 25 1 6 31 1 7 31 1 36 8 -1 37 9 -2 38 10 -1 11 27 2 12 28 2 13 27 1 32 14 -2 15 17 1 15 30 2 16 20 1 16 29 2 17 33 1 18 21 1 18 26 1 19 22 1 19 28 1 20 38 1 21 34 1 22 36 1 23 32 1 23 37 1 24 28 1 33 25 -1 26 31 1 34 27 -2 29 30 1 29 36 1 30 37 1 32 35 1 33 36 1 34 35 1 35 38 1 37 38 1', '38 40 H 18.24 -10.35 C:112 12.16 -15.47 C:107 23.05 -7.19 C:51 7.32 -11.25 C:22 10.95 -13.40 C:22 23.09 -10.88 C:22 24.89 -9.26 C:22 13.38 -10.50 C:25 17.14 -12.68 C:18 17.14 -8.42 O 18.44 -5.67 O 9.78 -9.86 O 16.59 -7.23 O 20.66 -10.46 C:118 15.88 -13.40 C:120 14.64 -9.80 C:29 14.64 -14.08 C:33 21.19 -8.78 C:30 10.95 -11.95 C:37 15.88 -9.10 C:31 20.28 -7.75 C:36 12.16 -11.23 C:44 18.44 -11.65 O 8.53 -11.95 C:149 12.16 -14.08 C:156 22.59 -8.51 C:179 17.95 -6.99 C:174 9.78 -11.25 C:137 14.64 -11.25 C:142 15.88 -11.95 C:34 23.53 -9.57 C:76 19.26 -10.50 C:51 13.38 -13.40 C:48 18.86 -8.03 C:58 18.44 -9.39 C:39 13.38 -11.95 C:49 17.14 -11.25 C:46 17.14 -9.80 35 1 -2 2 25 2 3 26 2 4 24 1 5 25 1 6 31 1 7 31 1 36 8 -1 37 9 -2 38 10 -1 11 27 2 12 28 2 13 27 1 32 14 -2 15 17 1 15 30 2 16 20 1 16 29 2 17 33 1 18 21 1 18 26 1 19 22 1 19 28 1 20 38 1 21 34 1 22 36 1 23 32 1 23 37 1 24 28 1 33 25 -1 26 31 1 34 27 -2 29 30 1 29 36 1 30 37 1 32 35 1 33 36 1 34 35 1 35 38 1 37 38 1', 'C32H48O5', 512.347, 'P', 'ph32_1239_11', 2958, '', '', '2', 1, NULL, NULL),
(11397, 'Pinicolic acid E', '16a-Hydroxy-3-oxolanosta-8,24-dien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:18])[C@@H:17]([C@@H:20]([CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[C:21](=O)O)[C@H:16](O)[CH2:15][C@@:14]12[CH3:30])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]4([CH3:28])[CH3:29]', '[H][C@@]34CCC1=C(CC[C@]2(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]12C)[C@@]3(C)CCC(=O)[C@]4(C)C', '[H][C@@:51]34[CH2:19][CH2:26][C:133]1=[C:135]([CH2:21][CH2:29][C@:46]2([CH3:18])[C@@H:57]([C@@H:46]([CH2:32][CH2:26][CH:123]=[C:132]([CH3:26])[CH3:18])[C:181](=O)O)[C@H:77](O)[CH2:43][C@@:48]12[CH3:25])[C@@:37]3([CH3:19])[CH2:36][CH2:35][C:218](=O)[C@:47]4([CH3:26])[CH3:21]', '35 38 H 12.21 -14.65 C:26 23.63 -9.35 C:27 21.82 -10.95 C:28 11.72 -15.38 C:29 10.22 -15.33 C:19 12.21 -10.60 C:30 15.94 -12.73 C:18 15.94 -8.52 O 17.19 -5.79 O 8.61 -14.18 O 15.37 -7.34 O 19.43 -10.62 C:24 21.33 -8.60 C:23 19.97 -8.89 C:2 9.79 -12.02 C:7 14.70 -13.44 C:11 13.47 -9.90 C:22 19.05 -7.86 C:6 13.47 -14.14 C:1 11.00 -11.29 C:12 14.70 -9.19 C:15 17.25 -11.71 C:25 22.26 -9.65 C:21 16.75 -7.09 C:3 9.79 -13.44 C:9 13.47 -11.29 C:8 14.70 -12.02 C:16 18.06 -10.60 C:20 17.67 -8.14 C:17 17.25 -9.48 C:4 11.00 -14.14 C:5 12.21 -13.44 C:10 12.21 -12.02 C:14 15.94 -11.29 C:13 15.94 -9.90 32 1 -2 2 23 1 3 23 1 31 4 -2 31 5 -1 33 6 -1 34 7 -2 35 8 -1 9 24 2 10 25 2 11 24 1 28 12 -2 13 14 1 13 23 2 14 18 1 15 20 1 15 25 1 16 19 1 16 27 1 17 21 1 17 26 1 18 29 1 19 32 1 20 33 1 21 35 1 22 28 1 22 34 1 29 24 -2 25 31 1 26 27 2 26 33 1 27 34 1 28 30 1 30 29 -1 30 35 1 31 32 1 32 33 1 34 35 1', '35 38 H 12.21 -14.65 C 23.63 -9.35 C 21.82 -10.95 C 11.72 -15.38 C 10.22 -15.33 C 12.21 -10.60 C 15.94 -12.73 C 15.94 -8.52 O 17.19 -5.79 O 8.61 -14.18 O 15.37 -7.34 O 19.43 -10.62 C 21.33 -8.60 C 19.97 -8.89 C 9.79 -12.02 C 14.70 -13.44 C 13.47 -9.90 C 19.05 -7.86 C 13.47 -14.14 C 11.00 -11.29 C 14.70 -9.19 C 17.25 -11.71 C 22.26 -9.65 C 16.75 -7.09 C 9.79 -13.44 C 13.47 -11.29 C 14.70 -12.02 C 18.06 -10.60 C 17.67 -8.14 C 17.25 -9.48 C 11.00 -14.14 C 12.21 -13.44 C 12.21 -12.02 C 15.94 -11.29 C 15.94 -9.90 32 1 -2 2 23 1 3 23 1 31 4 -2 31 5 -1 33 6 -1 34 7 -2 35 8 -1 9 24 2 10 25 2 11 24 1 28 12 -2 13 14 1 13 23 2 14 18 1 15 20 1 15 25 1 16 19 1 16 27 1 17 21 1 17 26 1 18 29 1 19 32 1 20 33 1 21 35 1 22 28 1 22 34 1 29 24 -2 25 31 1 26 27 2 26 33 1 27 34 1 28 30 1 30 29 -1 30 35 1 31 32 1 32 33 1 34 35 1', '35 38 H 12.21 -14.65 C:26 23.63 -9.35 C:18 21.82 -10.95 C:26 11.72 -15.38 C:21 10.22 -15.33 C:19 12.21 -10.60 C:25 15.94 -12.73 C:18 15.94 -8.52 O 17.19 -5.79 O 8.61 -14.18 O 15.37 -7.34 O 19.43 -10.62 C:123 21.33 -8.60 C:26 19.97 -8.89 C:35 9.79 -12.02 C:26 14.70 -13.44 C:21 13.47 -9.90 C:32 19.05 -7.86 C:19 13.47 -14.14 C:36 11.00 -11.29 C:29 14.70 -9.19 C:43 17.25 -11.71 C:132 22.26 -9.65 C:181 16.75 -7.09 C:218 9.79 -13.44 C:135 13.47 -11.29 C:133 14.70 -12.02 C:77 18.06 -10.60 C:46 17.67 -8.14 C:57 17.25 -9.48 C:47 11.00 -14.14 C:51 12.21 -13.44 C:37 12.21 -12.02 C:48 15.94 -11.29 C:46 15.94 -9.90 32 1 -2 2 23 1 3 23 1 31 4 -2 31 5 -1 33 6 -1 34 7 -2 35 8 -1 9 24 2 10 25 2 11 24 1 28 12 -2 13 14 1 13 23 2 14 18 1 15 20 1 15 25 1 16 19 1 16 27 1 17 21 1 17 26 1 18 29 1 19 32 1 20 33 1 21 35 1 22 28 1 22 34 1 29 24 -2 25 31 1 26 27 2 26 33 1 27 34 1 28 30 1 30 29 -1 30 35 1 31 32 1 32 33 1 34 35 1', 'C30H46O4', 470.327, 'C', 'ph54_603_1', 1927, '', '', '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
(11407, '', 'Ergosta-7,22-dien-3β-ol', 'Steroids', 'Ergostanes', '', '[H][C@@:5]34[CH2:6][CH:7]=[C:8]1[C@:9]([H])([CH2:11][CH2:12][C@@:13]2([CH3:18])[C@@:14]1([H])[CH2:15][CH2:16][C@:17]2([H])[C@H:20]([CH3:21])[CH:22]=[CH:23][C@H:24]([CH3:24001])[CH:25]([CH3:26])[CH3:27])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O)[CH2:4]4', '[H][C@@]34CC=C1[C@]([H])(CC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@H](C)C=C[C@H](C)C(C)C)[C@@]3(C)CC[C@H](O)C4', '[H][C@@:40]34[CH2:32][CH:117]=[C:140]1[C@:49]([H])([CH2:22][CH2:39][C@@:43]2([CH3:12])[C@@:55]1([H])[CH2:23][CH2:28][C@:56]2([H])[C@H:41]([CH3:21])[CH:135]=[CH:132][C@H:43]([CH3:20])[CH:33]([CH3:18])[CH3:20])[C@@:34]3([CH3:13])[CH2:37][CH2:30][C@H:71](O)[CH2:38]4', '33 36 H 12.09 -14.43 H 13.39 -12.15 H 15.92 -12.15 H 16.92 -10.22 C:26 23.82 -9.09 C:27 21.96 -10.75 C:24001 21.90 -6.99 C:21 16.73 -6.79 C:19 12.09 -10.38 C:18 15.92 -8.24 O 8.43 -14.07 C:23 20.05 -8.62 C:22 19.09 -7.58 C:7 14.63 -13.33 C:6 13.39 -14.07 C:2 9.60 -11.84 C:1 10.85 -11.10 C:15 17.24 -11.52 C:11 13.39 -9.68 C:16 18.07 -10.38 C:12 14.63 -8.93 C:4 10.85 -14.07 C:8 14.63 -11.84 C:25 22.39 -9.42 C:24 21.44 -8.33 C:20 17.67 -7.87 C:3 9.60 -13.33 C:5 12.09 -13.33 C:9 13.39 -11.10 C:14 15.92 -11.10 C:17 17.24 -9.22 C:10 12.09 -11.84 C:13 15.92 -9.68 28 1 -2 29 2 -2 30 3 -2 31 4 -2 5 24 1 6 24 1 25 7 -2 26 8 -2 32 9 -1 33 10 -1 27 11 -1 12 13 2 12 25 1 13 26 1 14 15 1 14 23 2 15 28 1 16 17 1 16 27 1 17 32 1 18 20 1 18 30 1 19 21 1 19 29 1 20 31 1 21 33 1 22 27 1 22 28 1 23 29 1 23 30 1 24 25 1 26 31 1 28 32 1 29 32 1 30 33 1 31 33 1', '33 36 H 12.09 -14.43 H 13.39 -12.15 H 15.92 -12.15 H 16.92 -10.22 C 23.82 -9.09 C 21.96 -10.75 C 21.90 -6.99 C 16.73 -6.79 C 12.09 -10.38 C 15.92 -8.24 O 8.43 -14.07 C 20.05 -8.62 C 19.09 -7.58 C 14.63 -13.33 C 13.39 -14.07 C 9.60 -11.84 C 10.85 -11.10 C 17.24 -11.52 C 13.39 -9.68 C 18.07 -10.38 C 14.63 -8.93 C 10.85 -14.07 C 14.63 -11.84 C 22.39 -9.42 C 21.44 -8.33 C 17.67 -7.87 C 9.60 -13.33 C 12.09 -13.33 C 13.39 -11.10 C 15.92 -11.10 C 17.24 -9.22 C 12.09 -11.84 C 15.92 -9.68 28 1 -2 29 2 -2 30 3 -2 31 4 -2 5 24 1 6 24 1 25 7 -2 26 8 -2 32 9 -1 33 10 -1 27 11 -1 12 13 2 12 25 1 13 26 1 14 15 1 14 23 2 15 28 1 16 17 1 16 27 1 17 32 1 18 20 1 18 30 1 19 21 1 19 29 1 20 31 1 21 33 1 22 27 1 22 28 1 23 29 1 23 30 1 24 25 1 26 31 1 28 32 1 29 32 1 30 33 1 31 33 1', '33 36 H 12.09 -14.43 H 13.39 -12.15 H 15.92 -12.15 H 16.92 -10.22 C:18 23.82 -9.09 C:20 21.96 -10.75 C:20 21.90 -6.99 C:21 16.73 -6.79 C:13 12.09 -10.38 C:12 15.92 -8.24 O 8.43 -14.07 C:132 20.05 -8.62 C:135 19.09 -7.58 C:117 14.63 -13.33 C:32 13.39 -14.07 C:30 9.60 -11.84 C:37 10.85 -11.10 C:23 17.24 -11.52 C:22 13.39 -9.68 C:28 18.07 -10.38 C:39 14.63 -8.93 C:38 10.85 -14.07 C:140 14.63 -11.84 C:33 22.39 -9.42 C:43 21.44 -8.33 C:41 17.67 -7.87 C:71 9.60 -13.33 C:40 12.09 -13.33 C:49 13.39 -11.10 C:55 15.92 -11.10 C:56 17.24 -9.22 C:34 12.09 -11.84 C:43 15.92 -9.68 28 1 -2 29 2 -2 30 3 -2 31 4 -2 5 24 1 6 24 1 25 7 -2 26 8 -2 32 9 -1 33 10 -1 27 11 -1 12 13 2 12 25 1 13 26 1 14 15 1 14 23 2 15 28 1 16 17 1 16 27 1 17 32 1 18 20 1 18 30 1 19 21 1 19 29 1 20 31 1 21 33 1 22 27 1 22 28 1 23 29 1 23 30 1 24 25 1 26 31 1 28 32 1 29 32 1 30 33 1 31 33 1', 'C28H46O', 398.331, 'C', 'ph41_1041_3', 2960, '', '', '1', 1, NULL, NULL),
(11408, '', '21-Hydroxylanosta-8,24-dien-3-on', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH2:21]O)[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]4=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]([CH3:28])([CH3:29])[C@:5]3([H])[CH2:6][CH2:7]4', '[H][C@]1([C@H](CO)CCC=C(C)C)CC[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CCC(=O)[C@](C)(C)[C@]3([H])CC4', '[H][C@:44]1([C@H:43]([CH2:62]O)[CH2:30][CH2:25][CH:125]=[C:132]([CH3:26])[CH3:18])[CH2:28][CH2:31][C@@:50]2([CH3:24])[C:133]4=[C:135]([CH2:21][CH2:30][C@:44]12[CH3:16])[C@@:37]3([CH3:19])[CH2:36][CH2:34][C:217](=O)[C@:47]([CH3:26])([CH3:21])[C@:51]3([H])[CH2:19][CH2:26]4', '34 37 H 17.01 -10.46 H 12.13 -14.53 C:26 23.71 -9.33 C:27 21.86 -10.95 C:28 11.64 -15.41 C:29 10.14 -15.36 C:19 12.13 -10.62 C:30 15.90 -12.74 C:18 15.90 -8.47 O 8.54 -14.20 O 17.22 -5.73 C:24 21.36 -8.56 C:21 16.72 -7.03 C:23 19.98 -8.86 C:2 9.71 -12.03 C:7 14.59 -13.46 C:11 13.37 -9.88 C:22 19.06 -7.81 C:6 13.37 -14.16 C:1 10.93 -11.28 C:12 14.59 -9.17 C:16 18.04 -10.62 C:15 17.22 -11.70 C:25 22.30 -9.64 C:3 9.71 -13.46 C:9 13.37 -11.28 C:8 14.59 -12.03 C:20 17.65 -8.11 C:4 10.93 -14.16 C:17 17.22 -9.46 C:5 12.13 -13.46 C:10 12.13 -12.03 C:14 15.90 -11.28 C:13 15.90 -9.88 30 1 -2 31 2 -2 3 24 1 4 24 1 29 5 -2 29 6 -1 32 7 -1 33 8 -2 34 9 -1 10 25 2 11 13 1 12 14 1 12 24 2 28 13 -2 14 18 1 15 20 1 15 25 1 16 19 1 16 27 1 17 21 1 17 26 1 18 28 1 19 31 1 20 32 1 21 34 1 22 23 1 22 30 1 23 33 1 25 29 1 26 27 2 26 32 1 27 33 1 28 30 1 29 31 1 30 34 1 31 32 1 33 34 1', '34 37 H 17.01 -10.46 H 12.13 -14.53 C 23.71 -9.33 C 21.86 -10.95 C 11.64 -15.41 C 10.14 -15.36 C 12.13 -10.62 C 15.90 -12.74 C 15.90 -8.47 O 8.54 -14.20 O 17.22 -5.73 C 21.36 -8.56 C 16.72 -7.03 C 19.98 -8.86 C 9.71 -12.03 C 14.59 -13.46 C 13.37 -9.88 C 19.06 -7.81 C 13.37 -14.16 C 10.93 -11.28 C 14.59 -9.17 C 18.04 -10.62 C 17.22 -11.70 C 22.30 -9.64 C 9.71 -13.46 C 13.37 -11.28 C 14.59 -12.03 C 17.65 -8.11 C 10.93 -14.16 C 17.22 -9.46 C 12.13 -13.46 C 12.13 -12.03 C 15.90 -11.28 C 15.90 -9.88 30 1 -2 31 2 -2 3 24 1 4 24 1 29 5 -2 29 6 -1 32 7 -1 33 8 -2 34 9 -1 10 25 2 11 13 1 12 14 1 12 24 2 28 13 -2 14 18 1 15 20 1 15 25 1 16 19 1 16 27 1 17 21 1 17 26 1 18 28 1 19 31 1 20 32 1 21 34 1 22 23 1 22 30 1 23 33 1 25 29 1 26 27 2 26 32 1 27 33 1 28 30 1 29 31 1 30 34 1 31 32 1 33 34 1', '34 37 H 17.01 -10.46 H 12.13 -14.53 C:26 23.71 -9.33 C:18 21.86 -10.95 C:26 11.64 -15.41 C:21 10.14 -15.36 C:19 12.13 -10.62 C:24 15.90 -12.74 C:16 15.90 -8.47 O 8.54 -14.20 O 17.22 -5.73 C:125 21.36 -8.56 C:62 16.72 -7.03 C:25 19.98 -8.86 C:34 9.71 -12.03 C:26 14.59 -13.46 C:21 13.37 -9.88 C:30 19.06 -7.81 C:19 13.37 -14.16 C:36 10.93 -11.28 C:30 14.59 -9.17 C:28 18.04 -10.62 C:31 17.22 -11.70 C:132 22.30 -9.64 C:217 9.71 -13.46 C:135 13.37 -11.28 C:133 14.59 -12.03 C:43 17.65 -8.11 C:47 10.93 -14.16 C:44 17.22 -9.46 C:51 12.13 -13.46 C:37 12.13 -12.03 C:50 15.90 -11.28 C:44 15.90 -9.88 30 1 -2 31 2 -2 3 24 1 4 24 1 29 5 -2 29 6 -1 32 7 -1 33 8 -2 34 9 -1 10 25 2 11 13 1 12 14 1 12 24 2 28 13 -2 14 18 1 15 20 1 15 25 1 16 19 1 16 27 1 17 21 1 17 26 1 18 28 1 19 31 1 20 32 1 21 34 1 22 23 1 22 30 1 23 33 1 25 29 1 26 27 2 26 32 1 27 33 1 28 30 1 29 31 1 30 34 1 31 32 1 33 34 1', 'C30H48O2', 440.336, 'C', 'ph41_1041_4', 2960, '', '', '1', 1, NULL, NULL),
(11409, '', '3-Oxolanosta-8,24-dien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@@H:20]([CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[C:21](=O)O)[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]4=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]([CH3:28])([CH3:29])[C@:5]3([H])[CH2:6][CH2:7]4', '[H][C@]1([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CCC(=O)[C@](C)(C)[C@]3([H])CC4', '[H][C@:48]1([C@@H:49]([CH2:33][CH2:27][CH:125]=[C:132]([CH3:26])[CH3:18])[C:179](=O)O)[CH2:27][CH2:31][C@@:50]2([CH3:25])[C:133]4=[C:135]([CH2:21][CH2:29][C@:45]12[CH3:17])[C@@:37]3([CH3:19])[CH2:36][CH2:35][C:216](=O)[C@:47]([CH3:26])([CH3:21])[C@:51]3([H])[CH2:20][CH2:27]4', '35 38 H 17.02 -10.49 H 12.14 -14.57 C:26 23.73 -9.35 C:27 21.89 -10.98 C:28 11.64 -15.45 C:29 10.13 -15.40 C:19 12.14 -10.65 C:30 15.90 -12.79 C:18 15.90 -8.50 O 17.19 -5.75 O 8.53 -14.24 O 15.35 -7.29 C:24 21.39 -8.59 C:23 19.99 -8.88 C:2 9.70 -12.05 C:7 14.59 -13.51 C:11 13.39 -9.91 C:22 19.07 -7.84 C:6 13.39 -14.20 C:1 10.93 -11.32 C:12 14.59 -9.19 C:16 18.05 -10.65 C:15 17.23 -11.74 C:25 22.32 -9.66 C:21 16.73 -7.07 C:3 9.70 -13.51 C:9 13.39 -11.32 C:8 14.59 -12.05 C:20 17.66 -8.14 C:4 10.93 -14.20 C:17 17.23 -9.48 C:5 12.14 -13.51 C:10 12.14 -12.05 C:14 15.90 -11.32 C:13 15.90 -9.91 31 1 -2 32 2 -2 3 24 1 4 24 1 30 5 -2 30 6 -1 33 7 -1 34 8 -2 35 9 -1 10 25 2 11 26 2 12 25 1 13 14 1 13 24 2 14 18 1 15 20 1 15 26 1 16 19 1 16 28 1 17 21 1 17 27 1 18 29 1 19 32 1 20 33 1 21 35 1 22 23 1 22 31 1 23 34 1 29 25 -2 26 30 1 27 28 2 27 33 1 28 34 1 29 31 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 17.02 -10.49 H 12.14 -14.57 C 23.73 -9.35 C 21.89 -10.98 C 11.64 -15.45 C 10.13 -15.40 C 12.14 -10.65 C 15.90 -12.79 C 15.90 -8.50 O 17.19 -5.75 O 8.53 -14.24 O 15.35 -7.29 C 21.39 -8.59 C 19.99 -8.88 C 9.70 -12.05 C 14.59 -13.51 C 13.39 -9.91 C 19.07 -7.84 C 13.39 -14.20 C 10.93 -11.32 C 14.59 -9.19 C 18.05 -10.65 C 17.23 -11.74 C 22.32 -9.66 C 16.73 -7.07 C 9.70 -13.51 C 13.39 -11.32 C 14.59 -12.05 C 17.66 -8.14 C 10.93 -14.20 C 17.23 -9.48 C 12.14 -13.51 C 12.14 -12.05 C 15.90 -11.32 C 15.90 -9.91 31 1 -2 32 2 -2 3 24 1 4 24 1 30 5 -2 30 6 -1 33 7 -1 34 8 -2 35 9 -1 10 25 2 11 26 2 12 25 1 13 14 1 13 24 2 14 18 1 15 20 1 15 26 1 16 19 1 16 28 1 17 21 1 17 27 1 18 29 1 19 32 1 20 33 1 21 35 1 22 23 1 22 31 1 23 34 1 29 25 -2 26 30 1 27 28 2 27 33 1 28 34 1 29 31 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 17.02 -10.49 H 12.14 -14.57 C:26 23.73 -9.35 C:18 21.89 -10.98 C:26 11.64 -15.45 C:21 10.13 -15.40 C:19 12.14 -10.65 C:25 15.90 -12.79 C:17 15.90 -8.50 O 17.19 -5.75 O 8.53 -14.24 O 15.35 -7.29 C:125 21.39 -8.59 C:27 19.99 -8.88 C:35 9.70 -12.05 C:27 14.59 -13.51 C:21 13.39 -9.91 C:33 19.07 -7.84 C:20 13.39 -14.20 C:36 10.93 -11.32 C:29 14.59 -9.19 C:27 18.05 -10.65 C:31 17.23 -11.74 C:132 22.32 -9.66 C:179 16.73 -7.07 C:216 9.70 -13.51 C:135 13.39 -11.32 C:133 14.59 -12.05 C:49 17.66 -8.14 C:47 10.93 -14.20 C:48 17.23 -9.48 C:51 12.14 -13.51 C:37 12.14 -12.05 C:50 15.90 -11.32 C:45 15.90 -9.91 31 1 -2 32 2 -2 3 24 1 4 24 1 30 5 -2 30 6 -1 33 7 -1 34 8 -2 35 9 -1 10 25 2 11 26 2 12 25 1 13 14 1 13 24 2 14 18 1 15 20 1 15 26 1 16 19 1 16 28 1 17 21 1 17 27 1 18 29 1 19 32 1 20 33 1 21 35 1 22 23 1 22 31 1 23 34 1 29 25 -2 26 30 1 27 28 2 27 33 1 28 34 1 29 31 1 30 32 1 31 35 1 32 33 1 34 35 1', 'C30H46O3', 454.335, 'P', 'ph41_1041_5', 2960, '', '', '1', 1, NULL, NULL),
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(11419, 'Methyl 6,11b-dihydroxy-12a-propanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]5([c:20]1[cH:22][cH:23]o[cH:21]1)[CH2:16][C@H:15]2O[C@:14]26[C@:8]4([CH3:30])[C:7](=O)[C:6](O)=[C:5]3[C@:10]([CH3:19])([CH:1]=[CH:2][C:3](=O)[C@:4]3([CH3:28])[C:29](=O)O[CH3:29001])[C@@:9]4([H])[C@@H:11](O)[C@H:12](O[C:12001](=O)[CH2:12002][CH3:12003])[C@@:13]56[CH3:18]', '[H][C@@]5(c1ccoc1)C[C@H]2O[C@]26[C@]4(C)C(=O)C(O)=C3[C@](C)(C=CC(=O)[C@]3(C)C(=O)OC)[C@@]4([H])[C@@H](O)[C@H](OC(=O)CC)[C@@]56C', '[H][C@@:42]5([c:122]1[cH:111][cH:143]o[cH:140]1)[CH2:32][C@H:57]2O[C@:68]26[C@:46]4([CH3:23])[C:197](=O)[C:142](O)=[C:130]3[C@:41]([CH3:27])([CH:151]=[CH:127][C:196](=O)[C@:59]3([CH3:23])[C:170](=O)O[CH3:53])[C@@:44]4([H])[C@@H:73](O)[C@H:83](O[C:174](=O)[CH2:28][CH3:99])[C@@:45]56[CH3:15]', '42 47 H 19.68 -10.08 H 16.11 -12.03 C:12003 14.92 -4.70 C:29001 10.62 -16.26 C:19 14.82 -10.31 C:28 14.31 -15.17 C:30 17.36 -10.31 C:18 18.64 -8.17 O 14.97 -7.48 O 11.15 -13.97 O 13.35 -16.43 O 18.56 -13.97 O 16.11 -15.34 O 14.92 -8.93 C:2 12.34 -11.76 C:1 13.57 -11.02 C:23 20.40 -5.57 C:22 19.58 -6.69 C:21 21.69 -7.39 C:12002 16.17 -5.41 C:16 20.78 -10.31 O 11.39 -15.09 O 17.36 -7.48 O 18.93 -12.38 O 21.69 -5.99 C:12001 16.17 -6.79 C:3 12.34 -13.23 C:29 12.78 -15.17 C:6 16.11 -13.94 C:7 17.36 -13.23 C:5 14.82 -13.23 C:20 20.40 -7.82 C:11 16.11 -9.59 C:15 19.96 -11.45 C:12 17.36 -8.86 C:10 14.82 -11.76 C:17 19.96 -9.17 C:4 13.57 -13.97 C:9 16.11 -11.02 C:8 17.36 -11.76 C:13 18.64 -9.59 C:14 18.64 -11.02 37 1 -1 39 2 -2 3 20 1 4 22 1 36 5 -1 38 6 -2 40 7 -1 41 8 -2 9 26 2 10 27 2 11 28 2 12 30 2 13 29 1 33 14 -1 15 16 2 15 27 1 16 36 1 17 18 2 17 25 1 18 32 1 19 25 1 19 32 2 20 26 1 21 34 1 21 37 1 22 28 1 23 26 1 35 23 -2 34 24 -1 42 24 -1 27 38 1 38 28 -1 29 30 1 29 31 2 30 40 1 31 36 1 31 38 1 32 37 1 33 35 1 33 39 1 34 42 1 35 41 1 36 39 1 37 41 1 39 40 1 40 42 1 41 42 1', '42 47 H 19.68 -10.08 H 16.11 -12.03 C 14.92 -4.70 C 10.62 -16.26 C 14.82 -10.31 C 14.31 -15.17 C 17.36 -10.31 C 18.64 -8.17 O 14.97 -7.48 O 11.15 -13.97 O 13.35 -16.43 O 18.56 -13.97 O 16.11 -15.34 O 14.92 -8.93 C 12.34 -11.76 C 13.57 -11.02 C 20.40 -5.57 C 19.58 -6.69 C 21.69 -7.39 C 16.17 -5.41 C 20.78 -10.31 O 11.39 -15.09 O 17.36 -7.48 O 18.93 -12.38 O 21.69 -5.99 C 16.17 -6.79 C 12.34 -13.23 C 12.78 -15.17 C 16.11 -13.94 C 17.36 -13.23 C 14.82 -13.23 C 20.40 -7.82 C 16.11 -9.59 C 19.96 -11.45 C 17.36 -8.86 C 14.82 -11.76 C 19.96 -9.17 C 13.57 -13.97 C 16.11 -11.02 C 17.36 -11.76 C 18.64 -9.59 C 18.64 -11.02 37 1 -1 39 2 -2 3 20 1 4 22 1 36 5 -1 38 6 -2 40 7 -1 41 8 -2 9 26 2 10 27 2 11 28 2 12 30 2 13 29 1 33 14 -1 15 16 2 15 27 1 16 36 1 17 18 2 17 25 1 18 32 1 19 25 1 19 32 2 20 26 1 21 34 1 21 37 1 22 28 1 23 26 1 35 23 -2 34 24 -1 42 24 -1 27 38 1 38 28 -1 29 30 1 29 31 2 30 40 1 31 36 1 31 38 1 32 37 1 33 35 1 33 39 1 34 42 1 35 41 1 36 39 1 37 41 1 39 40 1 40 42 1 41 42 1', '42 47 H 19.68 -10.08 H 16.11 -12.03 C:9 14.92 -4.70 C:53 10.62 -16.26 C:27 14.82 -10.31 C:23 14.31 -15.17 C:23 17.36 -10.31 C:15 18.64 -8.17 O 14.97 -7.48 O 11.15 -13.97 O 13.35 -16.43 O 18.56 -13.97 O 16.11 -15.34 O 14.92 -8.93 C:127 12.34 -11.76 C:151 13.57 -11.02 C:143 20.40 -5.57 C:111 19.58 -6.69 C:140 21.69 -7.39 C:28 16.17 -5.41 C:32 20.78 -10.31 O 11.39 -15.09 O 17.36 -7.48 O 18.93 -12.38 O 21.69 -5.99 C:174 16.17 -6.79 C:196 12.34 -13.23 C:170 12.78 -15.17 C:142 16.11 -13.94 C:197 17.36 -13.23 C:130 14.82 -13.23 C:122 20.40 -7.82 C:73 16.11 -9.59 C:57 19.96 -11.45 C:83 17.36 -8.86 C:41 14.82 -11.76 C:42 19.96 -9.17 C:59 13.57 -13.97 C:44 16.11 -11.02 C:46 17.36 -11.76 C:45 18.64 -9.59 C:68 18.64 -11.02 37 1 -1 39 2 -2 3 20 1 4 22 1 36 5 -1 38 6 -2 40 7 -1 41 8 -2 9 26 2 10 27 2 11 28 2 12 30 2 13 29 1 33 14 -1 15 16 2 15 27 1 16 36 1 17 18 2 17 25 1 18 32 1 19 25 1 19 32 2 20 26 1 21 34 1 21 37 1 22 28 1 23 26 1 35 23 -2 34 24 -1 42 24 -1 27 38 1 38 28 -1 29 30 1 29 31 2 30 40 1 31 36 1 31 38 1 32 37 1 33 35 1 33 39 1 34 42 1 35 41 1 36 39 1 37 41 1 39 40 1 40 42 1 41 42 1', 'C30H34O10', 554.331, 'C', 'np01_1117_2', 2965, '', '', '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
(11420, 'Methyl 6-hydroxy-11b-acetoxy-12 meliacadien-29-oate-(2-methylpropanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]5([c:20]1[cH:22][cH:23]o[cH:21]1)[CH2:16][C@H:15]2O[C@:14]26[C@:8]4([CH3:30])[C:7](=O)[C:6](O)=[C:5]3[C@:10]([CH3:19])([CH:1]=[CH:2][C:3](=O)[C@:4]3([CH3:28])[C:29](=O)O[CH3:29001])[C@@:9]4([H])[C@@H:11](O[C:11001]([CH3:11002])=O)[C@H:12](O[C:12001](=O)[CH:12002]([CH3:12003])[CH3:12004])[C@@:13]56[CH3:18]', '[H][C@@]5(c1ccoc1)C[C@H]2O[C@]26[C@]4(C)C(=O)C(O)=C3[C@](C)(C=CC(=O)[C@]3(C)C(=O)OC)[C@@]4([H])[C@@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@]56C', '[H][C@@:42]5([c:122]1[cH:111][cH:143]o[cH:141]1)[CH2:32][C@H:55]2O[C@:68]26[C@:46]4([CH3:23])[C:196](=O)[C:142](O)=[C:129]3[C@:40]([CH3:25])([CH:151]=[CH:127][C:196](=O)[C@:59]3([CH3:23])[C:170](=O)O[CH3:53])[C@@:43]4([H])[C@@H:72](O[C:169]([CH3:21])=O)[C@H:78](O[C:174](=O)[CH:34]([CH3:19])[CH3:19])[C@@:45]56[CH3:16]', '46 51 H 19.68 -10.11 H 16.07 -12.08 C:29001 10.54 -16.34 C:11002 12.44 -9.03 C:12003 14.87 -4.68 C:12004 17.34 -4.68 C:19 14.77 -10.34 C:28 14.26 -15.24 C:30 17.34 -10.39 C:18 18.63 -8.19 O 13.67 -10.56 O 11.08 -14.01 O 14.92 -7.49 O 13.29 -16.51 O 18.55 -14.01 O 16.07 -15.41 C:2 12.27 -11.80 C:1 13.51 -11.06 C:23 20.40 -5.56 C:22 19.58 -6.68 C:21 21.70 -7.39 C:16 20.79 -10.34 O 11.31 -15.16 O 14.87 -8.95 O 17.34 -7.49 O 18.92 -12.43 O 21.70 -5.98 C:11001 13.67 -9.70 C:3 12.27 -13.28 C:12001 16.13 -6.79 C:29 12.71 -15.24 C:6 16.07 -14.00 C:7 17.34 -13.28 C:5 14.77 -13.28 C:20 20.40 -7.83 C:12002 16.13 -5.39 C:15 19.96 -11.49 C:11 16.07 -9.62 C:12 17.34 -8.88 C:10 14.77 -11.80 C:17 19.96 -9.19 C:4 13.51 -14.01 C:9 16.07 -11.06 C:8 17.34 -11.80 C:13 18.63 -9.62 C:14 18.63 -11.06 41 1 -1 43 2 -2 3 23 1 4 28 1 5 36 1 6 36 1 40 7 -1 42 8 -2 44 9 -1 45 10 -2 11 28 2 12 29 2 13 30 2 14 31 2 15 33 2 16 32 1 17 18 2 17 29 1 18 40 1 19 20 2 19 27 1 20 35 1 21 27 1 21 35 2 22 37 1 22 41 1 23 31 1 24 28 1 38 24 -1 25 30 1 39 25 -2 37 26 -1 46 26 -1 29 42 1 30 36 1 42 31 -1 32 33 1 32 34 2 33 44 1 34 40 1 34 42 1 35 41 1 37 46 1 38 39 1 38 43 1 39 45 1 40 43 1 41 45 1 43 44 1 44 46 1 45 46 1', '46 51 H 19.68 -10.11 H 16.07 -12.08 C 10.54 -16.34 C 12.44 -9.03 C 14.87 -4.68 C 17.34 -4.68 C 14.77 -10.34 C 14.26 -15.24 C 17.34 -10.39 C 18.63 -8.19 O 13.67 -10.56 O 11.08 -14.01 O 14.92 -7.49 O 13.29 -16.51 O 18.55 -14.01 O 16.07 -15.41 C 12.27 -11.80 C 13.51 -11.06 C 20.40 -5.56 C 19.58 -6.68 C 21.70 -7.39 C 20.79 -10.34 O 11.31 -15.16 O 14.87 -8.95 O 17.34 -7.49 O 18.92 -12.43 O 21.70 -5.98 C 13.67 -9.70 C 12.27 -13.28 C 16.13 -6.79 C 12.71 -15.24 C 16.07 -14.00 C 17.34 -13.28 C 14.77 -13.28 C 20.40 -7.83 C 16.13 -5.39 C 19.96 -11.49 C 16.07 -9.62 C 17.34 -8.88 C 14.77 -11.80 C 19.96 -9.19 C 13.51 -14.01 C 16.07 -11.06 C 17.34 -11.80 C 18.63 -9.62 C 18.63 -11.06 41 1 -1 43 2 -2 3 23 1 4 28 1 5 36 1 6 36 1 40 7 -1 42 8 -2 44 9 -1 45 10 -2 11 28 2 12 29 2 13 30 2 14 31 2 15 33 2 16 32 1 17 18 2 17 29 1 18 40 1 19 20 2 19 27 1 20 35 1 21 27 1 21 35 2 22 37 1 22 41 1 23 31 1 24 28 1 38 24 -1 25 30 1 39 25 -2 37 26 -1 46 26 -1 29 42 1 30 36 1 42 31 -1 32 33 1 32 34 2 33 44 1 34 40 1 34 42 1 35 41 1 37 46 1 38 39 1 38 43 1 39 45 1 40 43 1 41 45 1 43 44 1 44 46 1 45 46 1', '46 51 H 19.68 -10.11 H 16.07 -12.08 C:53 10.54 -16.34 C:21 12.44 -9.03 C:19 14.87 -4.68 C:19 17.34 -4.68 C:25 14.77 -10.34 C:23 14.26 -15.24 C:23 17.34 -10.39 C:16 18.63 -8.19 O 13.67 -10.56 O 11.08 -14.01 O 14.92 -7.49 O 13.29 -16.51 O 18.55 -14.01 O 16.07 -15.41 C:127 12.27 -11.80 C:151 13.51 -11.06 C:143 20.40 -5.56 C:111 19.58 -6.68 C:141 21.70 -7.39 C:32 20.79 -10.34 O 11.31 -15.16 O 14.87 -8.95 O 17.34 -7.49 O 18.92 -12.43 O 21.70 -5.98 C:169 13.67 -9.70 C:196 12.27 -13.28 C:174 16.13 -6.79 C:170 12.71 -15.24 C:142 16.07 -14.00 C:196 17.34 -13.28 C:129 14.77 -13.28 C:122 20.40 -7.83 C:34 16.13 -5.39 C:55 19.96 -11.49 C:72 16.07 -9.62 C:78 17.34 -8.88 C:40 14.77 -11.80 C:42 19.96 -9.19 C:59 13.51 -14.01 C:43 16.07 -11.06 C:46 17.34 -11.80 C:45 18.63 -9.62 C:68 18.63 -11.06 41 1 -1 43 2 -2 3 23 1 4 28 1 5 36 1 6 36 1 40 7 -1 42 8 -2 44 9 -1 45 10 -2 11 28 2 12 29 2 13 30 2 14 31 2 15 33 2 16 32 1 17 18 2 17 29 1 18 40 1 19 20 2 19 27 1 20 35 1 21 27 1 21 35 2 22 37 1 22 41 1 23 31 1 24 28 1 38 24 -1 25 30 1 39 25 -2 37 26 -1 46 26 -1 29 42 1 30 36 1 42 31 -1 32 33 1 32 34 2 33 44 1 34 40 1 34 42 1 35 41 1 37 46 1 38 39 1 38 43 1 39 45 1 40 43 1 41 45 1 43 44 1 44 46 1 45 46 1', 'C33H38O11', 610.362, 'C', 'np01_1117_3', 2965, '', '', '1', 1, NULL, NULL),
(11421, 'Methyl 6-hydroxy-11b-acetoxy-12a-(2-methylbutanoyloxy)-3,7-dioxo-14b,15b-epoxy-1,5-meliacadien-29-oate', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:17]5([c:20]1[cH:22][cH:23]o[cH:21]1)[CH2:16][C@H:15]2O[C@:14]26[C@:8]4([CH3:30])[C:7](=O)[C:6](O)=[C:5]3[C@:10]([CH3:19])([CH:1]=[CH:2][C:3](=O)[C@:4]3([CH3:28])[C:29](=O)O[CH3:29001])[C@@:9]4([H])[C@@H:11](O[C:11001]([CH3:11002])=O)[C@H:12](O[C:12001](=O)[CH:12002]([CH3:12003])[CH2:12004][CH3:12005])[C@@:13]56[CH3:18]', '[H][C@@]5(c1ccoc1)C[C@H]2O[C@]26[C@]4(C)C(=O)C(O)=C3[C@](C)(C=CC(=O)[C@]3(C)C(=O)OC)[C@@]4([H])[C@@H](OC(C)=O)[C@H](OC(=O)C(C)CC)[C@@]56C', '[H][C@@:42]5([c:122]1[cH:112][cH:143]o[cH:141]1)[CH2:32][C@H:55]2O[C@:68]26[C@:46]4([CH3:23])[C:196](=O)[C:142](O)=[C:129]3[C@:40]([CH3:25])([CH:151]=[CH:127][C:196](=O)[C@:59]3([CH3:23])[C:170](=O)O[CH3:53])[C@@:43]4([H])[C@@H:72](O[C:169]([CH3:21])=O)[C@H:78](O[C:174](=O)[CH:41]([CH3:16])[CH2:27][CH3:12])[C@@:45]56[CH3:16]', '47 52 H 19.68 -10.78 H 16.07 -12.75 C:12005 17.34 -3.99 C:29001 10.54 -17.01 C:11002 12.44 -9.70 C:12003 14.87 -5.35 C:19 14.77 -11.01 C:28 14.26 -15.96 C:30 17.34 -11.06 C:18 18.63 -8.86 O 13.67 -11.23 O 11.08 -14.68 O 14.92 -8.16 O 13.29 -17.18 O 18.55 -14.68 O 16.07 -16.08 C:2 12.27 -12.47 C:1 13.51 -11.73 C:23 20.40 -6.23 C:22 19.58 -7.35 C:21 21.70 -8.06 C:12004 17.34 -5.35 C:16 20.79 -11.01 O 11.31 -15.83 O 14.87 -9.62 O 17.34 -8.16 O 18.92 -13.10 O 21.70 -6.65 C:11001 13.67 -10.37 C:3 12.27 -13.95 C:12001 16.13 -7.46 C:29 12.71 -15.91 C:6 16.07 -14.67 C:7 17.34 -13.95 C:5 14.77 -13.95 C:20 20.40 -8.50 C:12002 16.13 -6.06 C:15 19.96 -12.16 C:11 16.07 -10.29 C:12 17.34 -9.55 C:10 14.77 -12.47 C:17 19.96 -9.86 C:4 13.51 -14.68 C:9 16.07 -11.73 C:8 17.34 -12.47 C:13 18.63 -10.29 C:14 18.63 -11.73 42 1 -1 44 2 -2 3 22 1 4 24 1 5 29 1 6 37 1 41 7 -1 43 8 -2 45 9 -1 46 10 -2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 16 33 1 17 18 2 17 30 1 18 41 1 19 20 2 19 28 1 20 36 1 21 28 1 21 36 2 22 37 1 23 38 1 23 42 1 24 32 1 25 29 1 39 25 -1 26 31 1 40 26 -2 38 27 -1 47 27 -1 30 43 1 31 37 1 43 32 -1 33 34 1 33 35 2 34 45 1 35 41 1 35 43 1 36 42 1 38 47 1 39 40 1 39 44 1 40 46 1 41 44 1 42 46 1 44 45 1 45 47 1 46 47 1', '47 52 H 19.68 -10.78 H 16.07 -12.75 C 17.34 -3.99 C 10.54 -17.01 C 12.44 -9.70 C 14.87 -5.35 C 14.77 -11.01 C 14.26 -15.96 C 17.34 -11.06 C 18.63 -8.86 O 13.67 -11.23 O 11.08 -14.68 O 14.92 -8.16 O 13.29 -17.18 O 18.55 -14.68 O 16.07 -16.08 C 12.27 -12.47 C 13.51 -11.73 C 20.40 -6.23 C 19.58 -7.35 C 21.70 -8.06 C 17.34 -5.35 C 20.79 -11.01 O 11.31 -15.83 O 14.87 -9.62 O 17.34 -8.16 O 18.92 -13.10 O 21.70 -6.65 C 13.67 -10.37 C 12.27 -13.95 C 16.13 -7.46 C 12.71 -15.91 C 16.07 -14.67 C 17.34 -13.95 C 14.77 -13.95 C 20.40 -8.50 C 16.13 -6.06 C 19.96 -12.16 C 16.07 -10.29 C 17.34 -9.55 C 14.77 -12.47 C 19.96 -9.86 C 13.51 -14.68 C 16.07 -11.73 C 17.34 -12.47 C 18.63 -10.29 C 18.63 -11.73 42 1 -1 44 2 -2 3 22 1 4 24 1 5 29 1 6 37 1 41 7 -1 43 8 -2 45 9 -1 46 10 -2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 16 33 1 17 18 2 17 30 1 18 41 1 19 20 2 19 28 1 20 36 1 21 28 1 21 36 2 22 37 1 23 38 1 23 42 1 24 32 1 25 29 1 39 25 -1 26 31 1 40 26 -2 38 27 -1 47 27 -1 30 43 1 31 37 1 43 32 -1 33 34 1 33 35 2 34 45 1 35 41 1 35 43 1 36 42 1 38 47 1 39 40 1 39 44 1 40 46 1 41 44 1 42 46 1 44 45 1 45 47 1 46 47 1', '47 52 H 19.68 -10.78 H 16.07 -12.75 C:12 17.34 -3.99 C:53 10.54 -17.01 C:21 12.44 -9.70 C:16 14.87 -5.35 C:25 14.77 -11.01 C:23 14.26 -15.96 C:23 17.34 -11.06 C:16 18.63 -8.86 O 13.67 -11.23 O 11.08 -14.68 O 14.92 -8.16 O 13.29 -17.18 O 18.55 -14.68 O 16.07 -16.08 C:127 12.27 -12.47 C:151 13.51 -11.73 C:143 20.40 -6.23 C:112 19.58 -7.35 C:141 21.70 -8.06 C:27 17.34 -5.35 C:32 20.79 -11.01 O 11.31 -15.83 O 14.87 -9.62 O 17.34 -8.16 O 18.92 -13.10 O 21.70 -6.65 C:169 13.67 -10.37 C:196 12.27 -13.95 C:174 16.13 -7.46 C:170 12.71 -15.91 C:142 16.07 -14.67 C:196 17.34 -13.95 C:129 14.77 -13.95 C:122 20.40 -8.50 C:41 16.13 -6.06 C:55 19.96 -12.16 C:72 16.07 -10.29 C:78 17.34 -9.55 C:40 14.77 -12.47 C:42 19.96 -9.86 C:59 13.51 -14.68 C:43 16.07 -11.73 C:46 17.34 -12.47 C:45 18.63 -10.29 C:68 18.63 -11.73 42 1 -1 44 2 -2 3 22 1 4 24 1 5 29 1 6 37 1 41 7 -1 43 8 -2 45 9 -1 46 10 -2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 16 33 1 17 18 2 17 30 1 18 41 1 19 20 2 19 28 1 20 36 1 21 28 1 21 36 2 22 37 1 23 38 1 23 42 1 24 32 1 25 29 1 39 25 -1 26 31 1 40 26 -2 38 27 -1 47 27 -1 30 43 1 31 37 1 43 32 -1 33 34 1 33 35 2 34 45 1 35 41 1 35 43 1 36 42 1 38 47 1 39 40 1 39 44 1 40 46 1 41 44 1 42 46 1 44 45 1 45 47 1 46 47 1', 'C34H40O11', 624.373, 'C', 'np01_1117_5', 2965, '', '', '1', 1, NULL, NULL),
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(11435, '3β,11α-Dihydroxy-5β,6β-epoxy-9,11-secocholestan-9-one', '', 'Steroids', 'Cholestanes', '', '[H][C@@:8]4([C@:14]1([H])[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][CH2:24][CH:25]([CH3:27])[CH3:26])[C@@:13]1([CH3:18])[CH2:12][CH2:11]O)[CH2:7][C@H:6]2O[C@:5]23[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]3([CH3:19])[C:9]4=O', '[H][C@@]4([C@]1([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCO)C[C@H]2O[C@]23C[C@@H](O)CC[C@]3(C)C4=O', '[H][C@@:39]4([C@:45]1([H])[CH2:23][CH2:28][C@:50]([H])([C@H:36]([CH3:20])[CH2:34][CH2:25][CH2:40][CH:31]([CH3:23])[CH3:23])[C@@:46]1([CH3:18])[CH2:41][CH2:59]O)[CH2:26][C@H:58]2O[C@:66]23[CH2:39][C@@H:68](O)[CH2:31][CH2:29][C@:47]3([CH3:20])[C:215]4=O', '34 37 H 14.62 -10.53 H 17.20 -10.03 H 15.91 -11.94 C:27 21.89 -10.53 C:26 23.74 -8.90 C:21 16.70 -6.66 C:19 12.09 -10.18 C:18 15.91 -8.05 O 13.39 -9.49 O 13.39 -6.66 O 8.47 -13.84 C:11 14.62 -7.35 C:23 19.99 -8.44 C:24 21.36 -8.13 C:22 19.03 -7.35 C:2 9.64 -11.62 C:12 14.62 -8.75 C:1 10.86 -10.88 C:16 18.03 -10.18 C:15 17.20 -11.30 C:7 14.62 -13.10 C:4 10.86 -13.84 O 12.09 -14.51 C:9 13.39 -10.88 C:25 22.32 -9.23 C:20 17.63 -7.69 C:3 9.64 -13.10 C:6 13.39 -13.84 C:8 14.62 -11.62 C:17 17.20 -9.03 C:14 15.91 -10.88 C:10 12.09 -11.62 C:13 15.91 -9.49 C:5 12.09 -13.10 29 1 -1 30 2 -2 31 3 -2 4 25 1 5 25 1 26 6 -2 32 7 -1 33 8 -1 9 24 2 10 12 1 27 11 -1 12 17 1 13 14 1 13 15 1 14 25 1 15 26 1 16 18 1 16 27 1 17 33 1 18 32 1 19 20 1 19 30 1 20 31 1 21 28 1 21 29 1 22 27 1 22 34 1 28 23 -1 34 23 -1 24 29 1 24 32 1 26 30 1 28 34 1 29 31 1 30 33 1 31 33 1 32 34 1', '34 37 H 14.62 -10.53 H 17.20 -10.03 H 15.91 -11.94 C 21.89 -10.53 C 23.74 -8.90 C 16.70 -6.66 C 12.09 -10.18 C 15.91 -8.05 O 13.39 -9.49 O 13.39 -6.66 O 8.47 -13.84 C 14.62 -7.35 C 19.99 -8.44 C 21.36 -8.13 C 19.03 -7.35 C 9.64 -11.62 C 14.62 -8.75 C 10.86 -10.88 C 18.03 -10.18 C 17.20 -11.30 C 14.62 -13.10 C 10.86 -13.84 O 12.09 -14.51 C 13.39 -10.88 C 22.32 -9.23 C 17.63 -7.69 C 9.64 -13.10 C 13.39 -13.84 C 14.62 -11.62 C 17.20 -9.03 C 15.91 -10.88 C 12.09 -11.62 C 15.91 -9.49 C 12.09 -13.10 29 1 -1 30 2 -2 31 3 -2 4 25 1 5 25 1 26 6 -2 32 7 -1 33 8 -1 9 24 2 10 12 1 27 11 -1 12 17 1 13 14 1 13 15 1 14 25 1 15 26 1 16 18 1 16 27 1 17 33 1 18 32 1 19 20 1 19 30 1 20 31 1 21 28 1 21 29 1 22 27 1 22 34 1 28 23 -1 34 23 -1 24 29 1 24 32 1 26 30 1 28 34 1 29 31 1 30 33 1 31 33 1 32 34 1', '34 37 H 14.62 -10.53 H 17.20 -10.03 H 15.91 -11.94 C:23 21.89 -10.53 C:23 23.74 -8.90 C:20 16.70 -6.66 C:20 12.09 -10.18 C:18 15.91 -8.05 O 13.39 -9.49 O 13.39 -6.66 O 8.47 -13.84 C:59 14.62 -7.35 C:25 19.99 -8.44 C:40 21.36 -8.13 C:34 19.03 -7.35 C:31 9.64 -11.62 C:41 14.62 -8.75 C:29 10.86 -10.88 C:28 18.03 -10.18 C:23 17.20 -11.30 C:26 14.62 -13.10 C:39 10.86 -13.84 O 12.09 -14.51 C:215 13.39 -10.88 C:31 22.32 -9.23 C:36 17.63 -7.69 C:68 9.64 -13.10 C:58 13.39 -13.84 C:39 14.62 -11.62 C:50 17.20 -9.03 C:45 15.91 -10.88 C:47 12.09 -11.62 C:46 15.91 -9.49 C:66 12.09 -13.10 29 1 -1 30 2 -2 31 3 -2 4 25 1 5 25 1 26 6 -2 32 7 -1 33 8 -1 9 24 2 10 12 1 27 11 -1 12 17 1 13 14 1 13 15 1 14 25 1 15 26 1 16 18 1 16 27 1 17 33 1 18 32 1 19 20 1 19 30 1 20 31 1 21 28 1 21 29 1 22 27 1 22 34 1 28 23 -1 34 23 -1 24 29 1 24 32 1 26 30 1 28 34 1 29 31 1 30 33 1 31 33 1 32 34 1', 'C27H46O4', 434.31, 'C', 'np06_1188_11', 2967, '', '', '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
(11437, 'Cespitularin F', '', 'Terpenoids', 'Diterpenoids', 'Cespitularanes', '[H][C@@:9]13[C:8]([CH3:19])=[CH:7][C@@H:6](O)[CH2:5][C:4](=[CH2:20])[CH2:3][CH2:2][C@:1]2([H])[CH2:14][CH2:13][C:12](=[C:11]([C:10]1=O)[C@:15]2([CH3:16])[CH3:17])[C@@H:18]3O', '[H][C@@]13C(C)=C[C@@H](O)CC(=C)CC[C@]2([H])CCC(=C(C1=O)[C@]2(C)C)[C@@H]3O', '[H][C@@:63]13[C:134]([CH3:20])=[CH:133][C@@H:67](O)[CH2:46][C:146](=[CH2:112])[CH2:23][CH2:31][C@:42]2([H])[CH2:29][CH2:22][C:169](=[C:147]([C:204]1=O)[C@:34]2([CH3:31])[CH3:24])[C@@H:74]3O', '25 27 H 12.62 -9.10 H 16.39 -14.34 C:20 20.69 -11.34 C:19 15.16 -6.78 C:16 17.37 -10.70 C:17 17.63 -12.42 O 15.66 -8.98 O 18.58 -7.69 O 11.56 -11.09 C:7 16.50 -8.78 C:3 18.90 -12.71 C:13 14.03 -13.12 C:5 18.90 -9.95 C:2 17.76 -13.55 C:14 15.22 -13.84 C:4 19.24 -11.34 C:8 15.16 -8.20 C:10 14.95 -9.63 C:12 14.03 -11.77 C:11 15.22 -11.09 C:6 17.93 -8.93 C:18 12.93 -10.81 C:15 16.39 -11.77 C:9 13.48 -9.51 C:1 16.39 -13.12 24 1 -1 25 2 -1 3 16 2 4 17 1 23 5 -1 23 6 -2 7 18 2 21 8 -1 22 9 -2 10 17 2 10 21 1 11 14 1 11 16 1 12 15 1 12 19 1 13 16 1 13 21 1 14 25 1 15 25 1 17 24 1 18 20 1 18 24 1 19 20 2 19 22 1 20 23 1 22 24 1 23 25 1', '25 27 H 12.62 -9.10 H 16.39 -14.34 C 20.69 -11.34 C 15.16 -6.78 C 17.37 -10.70 C 17.63 -12.42 O 15.66 -8.98 O 18.58 -7.69 O 11.56 -11.09 C 16.50 -8.78 C 18.90 -12.71 C 14.03 -13.12 C 18.90 -9.95 C 17.76 -13.55 C 15.22 -13.84 C 19.24 -11.34 C 15.16 -8.20 C 14.95 -9.63 C 14.03 -11.77 C 15.22 -11.09 C 17.93 -8.93 C 12.93 -10.81 C 16.39 -11.77 C 13.48 -9.51 C 16.39 -13.12 24 1 -1 25 2 -1 3 16 2 4 17 1 23 5 -1 23 6 -2 7 18 2 21 8 -1 22 9 -2 10 17 2 10 21 1 11 14 1 11 16 1 12 15 1 12 19 1 13 16 1 13 21 1 14 25 1 15 25 1 17 24 1 18 20 1 18 24 1 19 20 2 19 22 1 20 23 1 22 24 1 23 25 1', '25 27 H 12.62 -9.10 H 16.39 -14.34 C:112 20.69 -11.34 C:20 15.16 -6.78 C:31 17.37 -10.70 C:24 17.63 -12.42 O 15.66 -8.98 O 18.58 -7.69 O 11.56 -11.09 C:133 16.50 -8.78 C:23 18.90 -12.71 C:22 14.03 -13.12 C:46 18.90 -9.95 C:31 17.76 -13.55 C:29 15.22 -13.84 C:146 19.24 -11.34 C:134 15.16 -8.20 C:204 14.95 -9.63 C:169 14.03 -11.77 C:147 15.22 -11.09 C:67 17.93 -8.93 C:74 12.93 -10.81 C:34 16.39 -11.77 C:63 13.48 -9.51 C:42 16.39 -13.12 24 1 -1 25 2 -1 3 16 2 4 17 1 23 5 -1 23 6 -2 7 18 2 21 8 -1 22 9 -2 10 17 2 10 21 1 11 14 1 11 16 1 12 15 1 12 19 1 13 16 1 13 21 1 14 25 1 15 25 1 17 24 1 18 20 1 18 24 1 19 20 2 19 22 1 20 23 1 22 24 1 23 25 1', 'C20H28O3', 316.228, 'C', 'np06_1188_13', 2967, '', '', '1', 1, NULL, NULL),
(11438, 'Cespitularin E', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]12[CH2:14][CH2:13][CH:12]=[C:11]([C:10](=O)[CH2:9][C:8]([CH3:19])=[CH:7][C@@H:6](O)[CH2:5][C:4](=[CH2:20])[CH2:3][CH2:2]1)[C@@:15]2([CH3:17])[CH3:16]', '[H][C@]12CCC=C(C(=O)CC(C)=C[C@@H](O)CC(=C)CC1)[C@@]2(C)C', '[H][C@:43]12[CH2:23][CH2:24][CH:136]=[C:148]([C:202](=O)[CH2:51][C:131]([CH3:19])=[CH:133][C@@H:69](O)[CH2:45][C:147](=[CH2:113])[CH2:31][CH2:31]1)[C@@:35]2([CH3:25])[CH3:33]', '22 23 H 14.69 -12.70 C:20 18.20 -14.00 C:19 17.97 -7.59 C:17 15.93 -10.98 C:16 15.65 -9.24 O 13.57 -7.22 O 19.96 -9.29 C:12 12.26 -10.30 C:7 17.52 -10.04 C:13 12.26 -11.70 C:3 17.00 -11.95 C:9 15.76 -8.15 C:5 19.42 -11.70 C:14 13.46 -12.43 C:2 15.93 -12.43 C:4 18.20 -12.55 C:8 17.00 -8.88 C:10 14.30 -8.39 C:11 13.46 -9.61 C:6 19.02 -10.30 C:15 14.69 -10.30 C:1 14.69 -11.70 22 1 -1 2 16 2 3 17 1 21 4 -2 21 5 -1 6 18 2 20 7 -1 8 10 1 8 19 2 9 17 2 9 20 1 10 14 1 11 15 1 11 16 1 12 17 1 12 18 1 13 16 1 13 20 1 14 22 1 15 22 1 18 19 1 19 21 1 21 22 1', '22 23 H 14.69 -12.70 C 18.20 -14.00 C 17.97 -7.59 C 15.93 -10.98 C 15.65 -9.24 O 13.57 -7.22 O 19.96 -9.29 C 12.26 -10.30 C 17.52 -10.04 C 12.26 -11.70 C 17.00 -11.95 C 15.76 -8.15 C 19.42 -11.70 C 13.46 -12.43 C 15.93 -12.43 C 18.20 -12.55 C 17.00 -8.88 C 14.30 -8.39 C 13.46 -9.61 C 19.02 -10.30 C 14.69 -10.30 C 14.69 -11.70 22 1 -1 2 16 2 3 17 1 21 4 -2 21 5 -1 6 18 2 20 7 -1 8 10 1 8 19 2 9 17 2 9 20 1 10 14 1 11 15 1 11 16 1 12 17 1 12 18 1 13 16 1 13 20 1 14 22 1 15 22 1 18 19 1 19 21 1 21 22 1', '22 23 H 14.69 -12.70 C:113 18.20 -14.00 C:19 17.97 -7.59 C:25 15.93 -10.98 C:33 15.65 -9.24 O 13.57 -7.22 O 19.96 -9.29 C:136 12.26 -10.30 C:133 17.52 -10.04 C:24 12.26 -11.70 C:31 17.00 -11.95 C:51 15.76 -8.15 C:45 19.42 -11.70 C:23 13.46 -12.43 C:31 15.93 -12.43 C:147 18.20 -12.55 C:131 17.00 -8.88 C:202 14.30 -8.39 C:148 13.46 -9.61 C:69 19.02 -10.30 C:35 14.69 -10.30 C:43 14.69 -11.70 22 1 -1 2 16 2 3 17 1 21 4 -2 21 5 -1 6 18 2 20 7 -1 8 10 1 8 19 2 9 17 2 9 20 1 10 14 1 11 15 1 11 16 1 12 17 1 12 18 1 13 16 1 13 20 1 14 22 1 15 22 1 18 19 1 19 21 1 21 22 1', 'C19H28O2', 288.21, 'C', 'np06_1188_14', 2967, '', '', '1', 1, NULL, NULL),
(11439, 'Cespitularin D', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]23[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@:10]1(O)O[C:18](=O)[C:12](=[C:11]1[C@:15]2([CH3:16])[CH3:17])[CH2:13][CH2:14]3', '[H][C@]23CCC(=C)C[C@H](O)C=C(C)C[C@@]1(O)OC(=O)C(=C1[C@]2(C)C)CC3', '[H][C@:44]23[CH2:18][CH2:32][C:146](=[CH2:114])[CH2:44][C@H:69](O)[CH:136]=[C:131]([CH3:17])[CH2:49][C@@:109]1(O)O[C:172](=O)[C:129](=[C:168]1[C@:37]2([CH3:34])[CH3:24])[CH2:33][CH2:24]3', '25 27 H 15.90 -13.03 C:20 19.27 -14.05 C:19 19.10 -7.98 C:16 16.85 -9.51 C:17 17.12 -11.18 O 11.21 -9.59 O 21.03 -9.51 O 14.77 -7.11 C:7 18.64 -10.28 C:3 18.16 -12.09 C:13 13.62 -11.87 C:2 17.12 -12.56 C:14 14.77 -12.56 C:5 20.44 -11.87 C:9 16.48 -8.17 O 13.39 -8.05 C:4 19.27 -12.66 C:8 18.06 -8.87 C:18 12.58 -9.40 C:12 13.62 -10.54 C:11 14.77 -9.85 C:6 20.05 -10.54 C:15 15.90 -10.54 C:1 15.90 -11.87 C:10 14.77 -8.48 24 1 -1 2 17 2 3 18 1 23 4 -1 23 5 -2 6 19 2 22 7 -1 25 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 24 1 13 24 1 14 17 1 14 22 1 15 18 1 15 25 1 16 19 1 16 25 1 19 20 1 20 21 2 21 23 1 21 25 1 23 24 1', '25 27 H 15.90 -13.03 C 19.27 -14.05 C 19.10 -7.98 C 16.85 -9.51 C 17.12 -11.18 O 11.21 -9.59 O 21.03 -9.51 O 14.77 -7.11 C 18.64 -10.28 C 18.16 -12.09 C 13.62 -11.87 C 17.12 -12.56 C 14.77 -12.56 C 20.44 -11.87 C 16.48 -8.17 O 13.39 -8.05 C 19.27 -12.66 C 18.06 -8.87 C 12.58 -9.40 C 13.62 -10.54 C 14.77 -9.85 C 20.05 -10.54 C 15.90 -10.54 C 15.90 -11.87 C 14.77 -8.48 24 1 -1 2 17 2 3 18 1 23 4 -1 23 5 -2 6 19 2 22 7 -1 25 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 24 1 13 24 1 14 17 1 14 22 1 15 18 1 15 25 1 16 19 1 16 25 1 19 20 1 20 21 2 21 23 1 21 25 1 23 24 1', '25 27 H 15.90 -13.03 C:114 19.27 -14.05 C:17 19.10 -7.98 C:34 16.85 -9.51 C:24 17.12 -11.18 O 11.21 -9.59 O 21.03 -9.51 O 14.77 -7.11 C:136 18.64 -10.28 C:32 18.16 -12.09 C:33 13.62 -11.87 C:18 17.12 -12.56 C:24 14.77 -12.56 C:44 20.44 -11.87 C:49 16.48 -8.17 O 13.39 -8.05 C:146 19.27 -12.66 C:131 18.06 -8.87 C:172 12.58 -9.40 C:129 13.62 -10.54 C:168 14.77 -9.85 C:69 20.05 -10.54 C:37 15.90 -10.54 C:44 15.90 -11.87 C:109 14.77 -8.48 24 1 -1 2 17 2 3 18 1 23 4 -1 23 5 -2 6 19 2 22 7 -1 25 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 24 1 13 24 1 14 17 1 14 22 1 15 18 1 15 25 1 16 19 1 16 25 1 19 20 1 20 21 2 21 23 1 21 25 1 23 24 1', 'C20H28O4', 332.22, 'C', 'np06_1188_15', 2967, '', '', '1', 1, NULL, NULL),
(11440, '', '(1S,3S,4S,7S,8S,11S,12R)-(+)-3,4:7,8-Diepoxiverticillan-12-ol', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]34[CH2:14][CH2:13][C@@:12]([CH3:18])(O)[C@@:11]([H])([CH2:10][CH2:9][C@:8]1([CH3:19])O[C@@H:7]1[CH2:6][CH2:5][C@:4]2([CH3:20])O[C@@H:3]2[CH2:2]3)[C@:15]4([CH3:16])[CH3:17]', '[H][C@]34CC[C@@](C)(O)[C@@]([H])(CC[C@]1(C)O[C@@H]1CC[C@]2(C)O[C@@H]2C3)[C@]4(C)C', '[H][C@:43]34[CH2:26][CH2:39][C@@:73]([CH3:33])(O)[C@@:45]([H])([CH2:21][CH2:40][C@:62]1([CH3:17])O[C@@H:66]1[CH2:24][CH2:38][C@:63]2([CH3:16])O[C@@H:64]2[CH2:35]3)[C@:37]4([CH3:25])[CH3:31]', '25 28 H 15.63 -12.53 H 13.81 -8.80 C:18 12.30 -8.80 C:16 16.61 -9.02 C:17 16.90 -10.78 C:20 19.20 -13.86 C:19 18.95 -7.34 O 11.79 -10.47 C:6 20.02 -10.09 C:14 14.39 -12.25 C:5 20.41 -11.51 C:13 13.17 -11.51 C:9 16.72 -7.90 C:10 15.23 -8.16 C:2 16.90 -12.25 O 19.35 -8.74 O 18.05 -13.16 C:7 18.52 -9.83 C:3 17.98 -11.76 C:1 15.63 -11.51 C:12 13.17 -10.09 C:15 15.63 -10.09 C:4 19.20 -12.37 C:8 17.98 -8.65 C:11 14.39 -9.38 20 1 -1 25 2 -2 21 3 -2 22 4 -1 22 5 -2 23 6 -1 24 7 -1 21 8 -1 9 11 1 9 18 1 10 12 1 10 20 1 11 23 1 12 21 1 13 14 1 13 24 1 14 25 1 15 19 1 15 20 1 18 16 -2 16 24 1 19 17 -2 17 23 1 18 24 1 19 23 1 20 22 1 21 25 1 22 25 1', '25 28 H 15.63 -12.53 H 13.81 -8.80 C 12.30 -8.80 C 16.61 -9.02 C 16.90 -10.78 C 19.20 -13.86 C 18.95 -7.34 O 11.79 -10.47 C 20.02 -10.09 C 14.39 -12.25 C 20.41 -11.51 C 13.17 -11.51 C 16.72 -7.90 C 15.23 -8.16 C 16.90 -12.25 O 19.35 -8.74 O 18.05 -13.16 C 18.52 -9.83 C 17.98 -11.76 C 15.63 -11.51 C 13.17 -10.09 C 15.63 -10.09 C 19.20 -12.37 C 17.98 -8.65 C 14.39 -9.38 20 1 -1 25 2 -2 21 3 -2 22 4 -1 22 5 -2 23 6 -1 24 7 -1 21 8 -1 9 11 1 9 18 1 10 12 1 10 20 1 11 23 1 12 21 1 13 14 1 13 24 1 14 25 1 15 19 1 15 20 1 18 16 -2 16 24 1 19 17 -2 17 23 1 18 24 1 19 23 1 20 22 1 21 25 1 22 25 1', '25 28 H 15.63 -12.53 H 13.81 -8.80 C:33 12.30 -8.80 C:25 16.61 -9.02 C:31 16.90 -10.78 C:16 19.20 -13.86 C:17 18.95 -7.34 O 11.79 -10.47 C:24 20.02 -10.09 C:26 14.39 -12.25 C:38 20.41 -11.51 C:39 13.17 -11.51 C:40 16.72 -7.90 C:21 15.23 -8.16 C:35 16.90 -12.25 O 19.35 -8.74 O 18.05 -13.16 C:66 18.52 -9.83 C:64 17.98 -11.76 C:43 15.63 -11.51 C:73 13.17 -10.09 C:37 15.63 -10.09 C:63 19.20 -12.37 C:62 17.98 -8.65 C:45 14.39 -9.38 20 1 -1 25 2 -2 21 3 -2 22 4 -1 22 5 -2 23 6 -1 24 7 -1 21 8 -1 9 11 1 9 18 1 10 12 1 10 20 1 11 23 1 12 21 1 13 14 1 13 24 1 14 25 1 15 19 1 15 20 1 18 16 -2 16 24 1 19 17 -2 17 23 1 18 24 1 19 23 1 20 22 1 21 25 1 22 25 1', 'C20H34O3', 322.228, 'C', 'np07_1167_4', 2968, '', '', '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
(11456, 'Cespihypotin I', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]14[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@:10]2(O)O[C@H:18]([OH+][C:18001]([CH3:18002])=O)[C@@:12]3([CH2:13][CH2:14]1)O[C@@:11]23[C@:15]4([CH3:16])[CH3:17]', '[H][C@@]14CCC(=C)C[C@H](O)C=C(C)C[C@@]2(O)O[C@H](OC(C)=O)[C@@]3(CC1)O[C@@]23[C@]4(C)C', '[H][C@@:44]14[CH2:25][CH2:38][C:146](=[CH2:116])[CH2:46][C@H:69](O)[CH:134]=[C:133]([CH3:17])[CH2:41][C@@:95]2(O)O[C@H:101]([OH+][C:170]([CH3:21])=O)[C@@:80]3([CH2:26][CH2:34]1)O[C@@:73]23[C@:38]4([CH3:26])[CH3:25]', '29 32 H 17.04 -13.05 C:20 20.43 -14.07 C:18002 10.11 -8.69 C:19 20.26 -8.00 C:16 18.01 -9.54 C:17 18.27 -11.26 O 12.04 -7.22 O 22.18 -9.54 O 15.91 -7.13 C:7 19.80 -10.31 C:3 19.31 -12.12 C:2 18.27 -12.57 C:14 15.91 -12.57 C:13 14.76 -11.89 C:5 21.59 -11.89 C:9 17.62 -8.19 O 14.52 -8.07 O 15.91 -11.26 O+ 12.35 -9.62 C:18001 11.50 -8.51 C:4 20.43 -12.67 C:8 19.21 -8.90 C:6 21.21 -10.56 C:18 13.72 -9.44 C:1 17.04 -11.89 C:15 17.04 -10.56 C:10 15.91 -8.51 C:12 14.76 -10.56 C:11 15.91 -9.88 25 1 -1 2 21 2 3 20 1 4 22 1 26 5 -1 26 6 -2 7 20 2 23 8 -1 27 9 -1 10 22 2 10 23 1 11 12 1 11 21 1 12 25 1 13 14 1 13 25 1 14 28 1 15 21 1 15 23 1 16 22 1 16 27 1 17 24 1 17 27 1 28 18 -2 29 18 -2 19 20 1 24 19 -1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 32 H 17.04 -13.05 C 20.43 -14.07 C 10.11 -8.69 C 20.26 -8.00 C 18.01 -9.54 C 18.27 -11.26 O 12.04 -7.22 O 22.18 -9.54 O 15.91 -7.13 C 19.80 -10.31 C 19.31 -12.12 C 18.27 -12.57 C 15.91 -12.57 C 14.76 -11.89 C 21.59 -11.89 C 17.62 -8.19 O 14.52 -8.07 O 15.91 -11.26 O+ 12.35 -9.62 C 11.50 -8.51 C 20.43 -12.67 C 19.21 -8.90 C 21.21 -10.56 C 13.72 -9.44 C 17.04 -11.89 C 17.04 -10.56 C 15.91 -8.51 C 14.76 -10.56 C 15.91 -9.88 25 1 -1 2 21 2 3 20 1 4 22 1 26 5 -1 26 6 -2 7 20 2 23 8 -1 27 9 -1 10 22 2 10 23 1 11 12 1 11 21 1 12 25 1 13 14 1 13 25 1 14 28 1 15 21 1 15 23 1 16 22 1 16 27 1 17 24 1 17 27 1 28 18 -2 29 18 -2 19 20 1 24 19 -1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 32 H 17.04 -13.05 C:116 20.43 -14.07 C:21 10.11 -8.69 C:17 20.26 -8.00 C:26 18.01 -9.54 C:25 18.27 -11.26 O 12.04 -7.22 O 22.18 -9.54 O 15.91 -7.13 C:134 19.80 -10.31 C:38 19.31 -12.12 C:25 18.27 -12.57 C:34 15.91 -12.57 C:26 14.76 -11.89 C:46 21.59 -11.89 C:41 17.62 -8.19 O 14.52 -8.07 O 15.91 -11.26 O+ 12.35 -9.62 C:170 11.50 -8.51 C:146 20.43 -12.67 C:133 19.21 -8.90 C:69 21.21 -10.56 C:101 13.72 -9.44 C:44 17.04 -11.89 C:38 17.04 -10.56 C:95 15.91 -8.51 C:80 14.76 -10.56 C:73 15.91 -9.88 25 1 -1 2 21 2 3 20 1 4 22 1 26 5 -1 26 6 -2 7 20 2 23 8 -1 27 9 -1 10 22 2 10 23 1 11 12 1 11 21 1 12 25 1 13 14 1 13 25 1 14 28 1 15 21 1 15 23 1 16 22 1 16 27 1 17 24 1 17 27 1 28 18 -2 29 18 -2 19 20 1 24 19 -1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', 'C22H32O6', 392.24, 'C', 'tt07_10914_5', 2971, '', '', '1', 1, NULL, NULL),
(11457, 'Cespihypotin J', '', 'Terpenoids', 'Diterpenoids', 'Cespitularanes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O[C:6001]([CH3:6002])=O)[CH:7]=[C:8]([CH3:19])[C@:9]2([H])[C:10](=O)[C:11](=[C:12]([CH2:13][CH2:14]1)[C@@H:18]2O[C:18001]([CH3:18002])=O)[C@:15]3([CH3:16])[CH3:17]', '[H][C@@]13CCC(=C)C[C@H](OC(C)=O)C=C(C)[C@]2([H])C(=O)C(=C(CC1)[C@@H]2OC(C)=O)[C@]3(C)C', '[H][C@@:42]13[CH2:22][CH2:31][C:145](=[CH2:113])[CH2:43][C@H:70](O[C:171]([CH3:21])=O)[CH:128]=[C:135]([CH3:19])[C@:61]2([H])[C:203](=O)[C:148](=[C:166]([CH2:23][CH2:29]1)[C@@H:74]2O[C:171]([CH3:21])=O)[C@:34]3([CH3:24])[CH3:31]', '31 33 H 17.43 -14.66 H 13.67 -9.43 C:20 21.74 -11.67 C:6002 21.49 -6.56 C:18002 10.31 -10.66 C:19 16.20 -7.11 C:16 18.41 -11.03 C:17 18.67 -12.74 O 21.90 -8.98 O 12.14 -9.04 O 16.70 -9.31 C:7 17.54 -9.11 C:3 19.95 -13.03 C:13 15.07 -13.44 C:2 18.80 -13.87 C:14 16.26 -14.16 C:5 19.95 -10.27 O 19.63 -8.02 O 12.61 -11.42 C:4 20.29 -11.67 C:6001 21.03 -7.88 C:18001 11.70 -10.37 C:8 16.20 -8.53 C:10 15.99 -9.96 C:12 15.07 -12.10 C:11 16.26 -11.42 C:6 18.98 -9.26 C:18 13.98 -11.14 C:1 17.43 -13.44 C:15 17.43 -12.10 C:9 14.53 -9.84 29 1 -1 31 2 -1 3 20 2 4 21 1 5 22 1 6 23 1 30 7 -1 30 8 -2 9 21 2 10 22 2 11 24 2 12 23 2 12 27 1 13 15 1 13 20 1 14 16 1 14 25 1 15 29 1 16 29 1 17 20 1 17 27 1 18 21 1 27 18 -1 19 22 1 28 19 -2 23 31 1 24 26 1 24 31 1 25 26 2 25 28 1 26 30 1 28 31 1 29 30 1', '31 33 H 17.43 -14.66 H 13.67 -9.43 C 21.74 -11.67 C 21.49 -6.56 C 10.31 -10.66 C 16.20 -7.11 C 18.41 -11.03 C 18.67 -12.74 O 21.90 -8.98 O 12.14 -9.04 O 16.70 -9.31 C 17.54 -9.11 C 19.95 -13.03 C 15.07 -13.44 C 18.80 -13.87 C 16.26 -14.16 C 19.95 -10.27 O 19.63 -8.02 O 12.61 -11.42 C 20.29 -11.67 C 21.03 -7.88 C 11.70 -10.37 C 16.20 -8.53 C 15.99 -9.96 C 15.07 -12.10 C 16.26 -11.42 C 18.98 -9.26 C 13.98 -11.14 C 17.43 -13.44 C 17.43 -12.10 C 14.53 -9.84 29 1 -1 31 2 -1 3 20 2 4 21 1 5 22 1 6 23 1 30 7 -1 30 8 -2 9 21 2 10 22 2 11 24 2 12 23 2 12 27 1 13 15 1 13 20 1 14 16 1 14 25 1 15 29 1 16 29 1 17 20 1 17 27 1 18 21 1 27 18 -1 19 22 1 28 19 -2 23 31 1 24 26 1 24 31 1 25 26 2 25 28 1 26 30 1 28 31 1 29 30 1', '31 33 H 17.43 -14.66 H 13.67 -9.43 C:113 21.74 -11.67 C:21 21.49 -6.56 C:21 10.31 -10.66 C:19 16.20 -7.11 C:24 18.41 -11.03 C:31 18.67 -12.74 O 21.90 -8.98 O 12.14 -9.04 O 16.70 -9.31 C:128 17.54 -9.11 C:31 19.95 -13.03 C:23 15.07 -13.44 C:22 18.80 -13.87 C:29 16.26 -14.16 C:43 19.95 -10.27 O 19.63 -8.02 O 12.61 -11.42 C:145 20.29 -11.67 C:171 21.03 -7.88 C:171 11.70 -10.37 C:135 16.20 -8.53 C:203 15.99 -9.96 C:166 15.07 -12.10 C:148 16.26 -11.42 C:70 18.98 -9.26 C:74 13.98 -11.14 C:42 17.43 -13.44 C:34 17.43 -12.10 C:61 14.53 -9.84 29 1 -1 31 2 -1 3 20 2 4 21 1 5 22 1 6 23 1 30 7 -1 30 8 -2 9 21 2 10 22 2 11 24 2 12 23 2 12 27 1 13 15 1 13 20 1 14 16 1 14 25 1 15 29 1 16 29 1 17 20 1 17 27 1 18 21 1 27 18 -1 19 22 1 28 19 -2 23 31 1 24 26 1 24 31 1 25 26 2 25 28 1 26 30 1 28 31 1 29 30 1', 'C24H32O5', 400.27, 'C', 'tt07_10914_6', 2971, '', '', '1', 1, NULL, NULL),
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(11475, '', '4,5-Dihydro-β-caryophyllen-14-al', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@@:11]([CH3:12])([CH3:13])[C@:1]1([H])[CH2:2][CH2:3][C@@H:4]([CH:14]=O)[CH2:5][CH2:6][CH2:7][C:8]2=[CH2:15]', '[H][C@]12C[C@@](C)(C)[C@]1([H])CC[C@@H](C=O)CCCC2=C', '[H][C@:49]12[CH2:39][C@@:34]([CH3:30])([CH3:22])[C@:56]1([H])[CH2:27][CH2:26][C@@H:44]([CH:205]=O)[CH2:27][CH2:25][CH2:30][C:154]2=[CH2:110]', '18 19 H 15.72 -13.38 H 15.72 -10.00 C:15 16.98 -14.75 C:12 12.79 -11.28 C:13 14.48 -9.59 O 18.72 -6.37 C:14 19.43 -7.58 C:6 18.27 -11.05 C:7 18.27 -12.54 C:5 19.30 -10.09 C:3 17.30 -8.95 C:2 16.98 -10.31 C:10 14.25 -12.54 C:8 16.98 -13.28 C:4 18.72 -8.80 C:11 14.25 -11.05 C:9 15.72 -12.54 C:1 15.72 -11.05 17 1 -2 18 2 -1 3 14 2 16 4 -2 16 5 -1 6 7 2 15 7 -1 8 9 1 8 10 1 9 14 1 10 15 1 11 12 1 11 15 1 12 18 1 13 16 1 13 17 1 14 17 1 16 18 1 17 18 1', '18 19 H 15.72 -13.38 H 15.72 -10.00 C 16.98 -14.75 C 12.79 -11.28 C 14.48 -9.59 O 18.72 -6.37 C 19.43 -7.58 C 18.27 -11.05 C 18.27 -12.54 C 19.30 -10.09 C 17.30 -8.95 C 16.98 -10.31 C 14.25 -12.54 C 16.98 -13.28 C 18.72 -8.80 C 14.25 -11.05 C 15.72 -12.54 C 15.72 -11.05 17 1 -2 18 2 -1 3 14 2 16 4 -2 16 5 -1 6 7 2 15 7 -1 8 9 1 8 10 1 9 14 1 10 15 1 11 12 1 11 15 1 12 18 1 13 16 1 13 17 1 14 17 1 16 18 1 17 18 1', '18 19 H 15.72 -13.38 H 15.72 -10.00 C:110 16.98 -14.75 C:30 12.79 -11.28 C:22 14.48 -9.59 O 18.72 -6.37 C:205 19.43 -7.58 C:25 18.27 -11.05 C:30 18.27 -12.54 C:27 19.30 -10.09 C:26 17.30 -8.95 C:27 16.98 -10.31 C:39 14.25 -12.54 C:154 16.98 -13.28 C:44 18.72 -8.80 C:34 14.25 -11.05 C:49 15.72 -12.54 C:56 15.72 -11.05 17 1 -2 18 2 -1 3 14 2 16 4 -2 16 5 -1 6 7 2 15 7 -1 8 9 1 8 10 1 9 14 1 10 15 1 11 12 1 11 15 1 12 18 1 13 16 1 13 17 1 14 17 1 16 18 1 17 18 1', 'C15H24O', 220.176, 'C', 'np00_902_3', 2973, '', '', '1', 1, NULL, NULL),
(11476, '', 'Caryophylla-8(14)-en-5-one', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@@:11]([CH3:12])([CH3:13])[C@:1]1([H])[CH2:2][CH2:3][CH2:4][C:5](=O)[CH2:6][CH2:7][C:8]2=[CH2:15]', '[H][C@]12C[C@@](C)(C)[C@]1([H])CCCC(=O)CCC2=C', '[H][C@:46]12[CH2:39][C@@:34]([CH3:30])([CH3:22])[C@:55]1([H])[CH2:28][CH2:25][CH2:44][C:215](=O)[CH2:42][CH2:35][C:153]2=[CH2:112]', '17 18 H 15.12 -12.21 H 15.12 -8.83 C:15 16.38 -13.58 C:12 12.18 -10.11 C:13 13.87 -8.42 O 20.07 -9.20 C:3 16.70 -7.78 C:7 17.67 -11.37 C:4 18.12 -7.63 C:6 17.67 -9.88 C:2 16.38 -9.14 C:10 13.64 -11.37 C:8 16.38 -12.11 C:5 18.70 -8.92 C:11 13.64 -9.88 C:9 15.12 -11.37 C:1 15.12 -9.88 16 1 -2 17 2 -1 3 13 2 15 4 -2 15 5 -1 6 14 2 7 9 1 7 11 1 8 10 1 8 13 1 9 14 1 10 14 1 11 17 1 12 15 1 12 16 1 13 16 1 15 17 1 16 17 1', '17 18 H 15.12 -12.21 H 15.12 -8.83 C 16.38 -13.58 C 12.18 -10.11 C 13.87 -8.42 O 20.07 -9.20 C 16.70 -7.78 C 17.67 -11.37 C 18.12 -7.63 C 17.67 -9.88 C 16.38 -9.14 C 13.64 -11.37 C 16.38 -12.11 C 18.70 -8.92 C 13.64 -9.88 C 15.12 -11.37 C 15.12 -9.88 16 1 -2 17 2 -1 3 13 2 15 4 -2 15 5 -1 6 14 2 7 9 1 7 11 1 8 10 1 8 13 1 9 14 1 10 14 1 11 17 1 12 15 1 12 16 1 13 16 1 15 17 1 16 17 1', '17 18 H 15.12 -12.21 H 15.12 -8.83 C:112 16.38 -13.58 C:30 12.18 -10.11 C:22 13.87 -8.42 O 20.07 -9.20 C:25 16.70 -7.78 C:35 17.67 -11.37 C:44 18.12 -7.63 C:42 17.67 -9.88 C:28 16.38 -9.14 C:39 13.64 -11.37 C:153 16.38 -12.11 C:215 18.70 -8.92 C:34 13.64 -9.88 C:46 15.12 -11.37 C:55 15.12 -9.88 16 1 -2 17 2 -1 3 13 2 15 4 -2 15 5 -1 6 14 2 7 9 1 7 11 1 8 10 1 8 13 1 9 14 1 10 14 1 11 17 1 12 15 1 12 16 1 13 16 1 15 17 1 16 17 1', 'C14H22O', 206.165, 'C', 'np00_902_4', 2973, '', '', '1', 1, NULL, NULL),
(11477, '', '3β-Hydroxy-5α-angeloyloxysilphinene', 'Terpenoids', 'Sesquiterpenoids', 'Silphinanes', '[H][C@@:7]13[CH2:11][CH2:10][C@@H:9]([CH3:15])[C:8]12[CH:1]=[CH:2][CH:3](O)[C@@:4]2([CH3:12])[C@@H:5](O[C:5001](=O)[C:5002]([CH3:5005])=[CH:5003][CH3:5004])[C@@:6]3([CH3:13])[CH3:14]', '[H][C@@]13CC[C@@H](C)C12C=CC(O)[C@@]2(C)[C@@H](OC(=O)C(C)=CC)[C@@]3(C)C', '[H][C@@:29]13[CH2:29][CH2:36][C@@H:40]([CH3:16])[C:68]12[CH:141]=[CH:130][CH:81](O)[C@@:58]2([CH3:24])[C@@H:87](O[C:167](=O)[C:127]([CH3:21])=[CH:138][CH3:16])[C@@:42]3([CH3:26])[CH3:18]', '24 26 H 16.47 -7.91 C:5004 20.19 -12.99 C:5005 16.91 -14.70 C:15 12.07 -7.63 C:13 17.80 -10.23 C:14 17.80 -8.88 C:12 14.37 -11.66 O 18.43 -11.31 O 12.56 -12.00 C:5003 19.23 -14.00 C:2 12.14 -9.50 C:1 13.00 -8.34 C:10 14.37 -6.47 C:11 15.72 -6.91 O 16.12 -12.00 C:5002 17.87 -13.68 C:5001 17.47 -12.33 C:9 13.51 -7.63 C:3 13.00 -10.67 C:5 15.72 -10.67 C:6 16.57 -9.50 C:7 15.72 -8.34 C:4 14.37 -10.23 C:8 14.37 -8.79 22 1 -2 2 10 1 3 16 1 18 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 19 1 10 16 2 11 12 2 11 19 1 12 24 1 13 14 1 13 18 1 14 22 1 15 17 1 20 15 -2 16 17 1 18 24 1 19 23 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.47 -7.91 C 20.19 -12.99 C 16.91 -14.70 C 12.07 -7.63 C 17.80 -10.23 C 17.80 -8.88 C 14.37 -11.66 O 18.43 -11.31 O 12.56 -12.00 C 19.23 -14.00 C 12.14 -9.50 C 13.00 -8.34 C 14.37 -6.47 C 15.72 -6.91 O 16.12 -12.00 C 17.87 -13.68 C 17.47 -12.33 C 13.51 -7.63 C 13.00 -10.67 C 15.72 -10.67 C 16.57 -9.50 C 15.72 -8.34 C 14.37 -10.23 C 14.37 -8.79 22 1 -2 2 10 1 3 16 1 18 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 19 1 10 16 2 11 12 2 11 19 1 12 24 1 13 14 1 13 18 1 14 22 1 15 17 1 20 15 -2 16 17 1 18 24 1 19 23 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.47 -7.91 C:16 20.19 -12.99 C:21 16.91 -14.70 C:16 12.07 -7.63 C:26 17.80 -10.23 C:18 17.80 -8.88 C:24 14.37 -11.66 O 18.43 -11.31 O 12.56 -12.00 C:138 19.23 -14.00 C:130 12.14 -9.50 C:141 13.00 -8.34 C:36 14.37 -6.47 C:29 15.72 -6.91 O 16.12 -12.00 C:127 17.87 -13.68 C:167 17.47 -12.33 C:40 13.51 -7.63 C:81 13.00 -10.67 C:87 15.72 -10.67 C:42 16.57 -9.50 C:29 15.72 -8.34 C:58 14.37 -10.23 C:68 14.37 -8.79 22 1 -2 2 10 1 3 16 1 18 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 19 1 10 16 2 11 12 2 11 19 1 12 24 1 13 14 1 13 18 1 14 22 1 15 17 1 20 15 -2 16 17 1 18 24 1 19 23 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', 'C20H30O3', 318.22, 'C', 'np02_448_8', 2974, '', '', '1', 1, NULL, NULL),
(11478, '', '6,7-Epoxy-3(15)-caryophyllene', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]13[CH2:10][C@:11]([CH3:13])([CH3:12])[C@:1]1([H])[CH2:2][CH2:3][C@@:4]2([CH3:14])O[C@@H:5]2[CH2:6][CH2:7][C:8]3=[CH2:15]', '[H][C@]13C[C@](C)(C)[C@]1([H])CC[C@@]2(C)O[C@@H]2CCC3=C', '[H][C@:49]13[CH2:40][C@:34]([CH3:22])([CH3:30])[C@:51]1([H])[CH2:27][CH2:39][C@@:60]2([CH3:17])O[C@@H:64]2[CH2:30][CH2:30][C:152]3=[CH2:113]', '18 20 H 15.38 -12.81 H 15.38 -9.44 C:15 16.66 -14.19 C:13 14.13 -9.02 C:12 12.46 -10.71 C:14 19.09 -7.02 C:7 17.94 -11.97 C:6 17.94 -10.48 C:2 16.66 -9.74 C:3 16.98 -8.38 C:10 13.90 -11.97 O 19.77 -8.38 C:8 16.66 -12.71 C:5 18.96 -9.53 C:11 13.90 -10.48 C:9 15.38 -11.97 C:1 15.38 -10.48 C:4 18.38 -8.24 16 1 -2 17 2 -1 3 13 2 15 4 -1 15 5 -2 18 6 -2 7 8 1 7 13 1 8 14 1 9 10 1 9 17 1 10 18 1 11 15 1 11 16 1 14 12 -2 12 18 1 13 16 1 14 18 1 15 17 1 16 17 1', '18 20 H 15.38 -12.81 H 15.38 -9.44 C 16.66 -14.19 C 14.13 -9.02 C 12.46 -10.71 C 19.09 -7.02 C 17.94 -11.97 C 17.94 -10.48 C 16.66 -9.74 C 16.98 -8.38 C 13.90 -11.97 O 19.77 -8.38 C 16.66 -12.71 C 18.96 -9.53 C 13.90 -10.48 C 15.38 -11.97 C 15.38 -10.48 C 18.38 -8.24 16 1 -2 17 2 -1 3 13 2 15 4 -1 15 5 -2 18 6 -2 7 8 1 7 13 1 8 14 1 9 10 1 9 17 1 10 18 1 11 15 1 11 16 1 14 12 -2 12 18 1 13 16 1 14 18 1 15 17 1 16 17 1', '18 20 H 15.38 -12.81 H 15.38 -9.44 C:113 16.66 -14.19 C:22 14.13 -9.02 C:30 12.46 -10.71 C:17 19.09 -7.02 C:30 17.94 -11.97 C:30 17.94 -10.48 C:27 16.66 -9.74 C:39 16.98 -8.38 C:40 13.90 -11.97 O 19.77 -8.38 C:152 16.66 -12.71 C:64 18.96 -9.53 C:34 13.90 -10.48 C:49 15.38 -11.97 C:51 15.38 -10.48 C:60 18.38 -8.24 16 1 -2 17 2 -1 3 13 2 15 4 -1 15 5 -2 18 6 -2 7 8 1 7 13 1 8 14 1 9 10 1 9 17 1 10 18 1 11 15 1 11 16 1 14 12 -2 12 18 1 13 16 1 14 18 1 15 17 1 16 17 1', 'C15H24O', 220.176, 'C', 'np02_448_2', 2974, '', 'Identica a np04_592_8', '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
(11479, '', '6,7-Epoxy-2,9-humuladiene', 'Terpenoids', 'Sesquiterpenoids', 'Humulanes', '[CH3:15][C:3]2=[CH:2][CH2:1][C@@:11]([CH3:12])([CH3:13])[CH:10]=[CH:9][CH2:8][C@@:7]1([CH3:14])O[C@@H:6]1[CH2:5][CH2:4]2', 'CC2=CC[C@@](C)(C)C=CC[C@@]1(C)O[C@@H]1CC2', '[CH3:15][C:132]2=[CH:126][CH2:40][C@@:37]([CH3:29])([CH3:26])[CH:143]=[CH:122][CH2:43][C@@:62]1([CH3:37])O[C@@H:62]1[CH2:25][CH2:37]2', '16 17 C:15 19.12 -11.33 C:12 14.52 -14.03 C:13 13.44 -12.96 C:14 14.30 -7.15 C:9 13.08 -10.63 C:10 14.30 -11.33 C:2 16.71 -11.33 C:8 13.08 -9.24 C:1 16.27 -12.66 C:4 17.91 -9.24 C:5 16.71 -8.54 O 15.51 -7.84 C:3 17.91 -10.63 C:6 15.51 -9.24 C:11 14.74 -12.66 C:7 14.30 -8.54 1 13 1 15 2 -2 15 3 -1 16 4 -2 5 6 2 5 8 1 6 15 1 7 9 1 7 13 2 8 16 1 9 15 1 10 11 1 10 13 1 11 14 1 14 12 -2 12 16 1 14 16 1', '16 17 C 19.12 -11.33 C 14.52 -14.03 C 13.44 -12.96 C 14.30 -7.15 C 13.08 -10.63 C 14.30 -11.33 C 16.71 -11.33 C 13.08 -9.24 C 16.27 -12.66 C 17.91 -9.24 C 16.71 -8.54 O 15.51 -7.84 C 17.91 -10.63 C 15.51 -9.24 C 14.74 -12.66 C 14.30 -8.54 1 13 1 15 2 -2 15 3 -1 16 4 -2 5 6 2 5 8 1 6 15 1 7 9 1 7 13 2 8 16 1 9 15 1 10 11 1 10 13 1 11 14 1 14 12 -2 12 16 1 14 16 1', '16 17 C:15 19.12 -11.33 C:29 14.52 -14.03 C:26 13.44 -12.96 C:37 14.30 -7.15 C:122 13.08 -10.63 C:143 14.30 -11.33 C:126 16.71 -11.33 C:43 13.08 -9.24 C:40 16.27 -12.66 C:37 17.91 -9.24 C:25 16.71 -8.54 O 15.51 -7.84 C:132 17.91 -10.63 C:62 15.51 -9.24 C:37 14.74 -12.66 C:62 14.30 -8.54 1 13 1 15 2 -2 15 3 -1 16 4 -2 5 6 2 5 8 1 6 15 1 7 9 1 7 13 2 8 16 1 9 15 1 10 11 1 10 13 1 11 14 1 14 12 -2 12 16 1 14 16 1', 'C15H24O', 220.16, 'C', 'np02_448_3', 2974, '', '', '1', 1, NULL, NULL),
(11480, '', '5α-Angeloyloxysilphinen-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Silphinanes', '[H][C@@:7]13[CH2:11][CH2:10][C@@H:9]([CH3:15])[C:8]12[CH:1]=[CH:2][C:3](=O)[C@@:4]2([CH3:12])[C@@H:5](O[C:5001](=O)[C:5002]([CH3:5005])=[CH:5003][CH3:5004])[C@@:6]3([CH3:13])[CH3:14]', '[H][C@@]13CC[C@@H](C)C12C=CC(=O)[C@@]2(C)[C@@H](OC(=O)C(C)=CC)[C@@]3(C)C', '[H][C@@:58]13[CH2:28][CH2:36][C@@H:39]([CH3:16])[C:65]12[CH:168]=[CH:130][C:212](=O)[C@@:57]2([CH3:24])[C@@H:86](O[C:167](=O)[C:128]([CH3:21])=[CH:139][CH3:16])[C@@:43]3([CH3:25])[CH3:20]', '24 26 H 16.47 -7.91 C:5004 20.19 -12.99 C:5005 16.91 -14.70 C:15 12.07 -7.63 C:13 17.80 -10.23 C:14 17.80 -8.88 C:12 14.37 -11.66 O 12.56 -12.00 O 18.43 -11.31 C:5003 19.23 -14.00 C:2 12.14 -9.50 C:1 13.00 -8.34 C:10 14.37 -6.47 C:11 15.72 -6.91 O 16.12 -12.00 C:5002 17.87 -13.68 C:3 13.00 -10.67 C:5001 17.47 -12.33 C:9 13.51 -7.63 C:5 15.72 -10.67 C:6 16.57 -9.50 C:7 15.72 -8.34 C:4 14.37 -10.23 C:8 14.37 -8.79 22 1 -2 2 10 1 3 16 1 19 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 18 2 10 16 2 11 12 2 11 17 1 12 24 1 13 14 1 13 19 1 14 22 1 15 18 1 20 15 -2 16 18 1 17 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.47 -7.91 C 20.19 -12.99 C 16.91 -14.70 C 12.07 -7.63 C 17.80 -10.23 C 17.80 -8.88 C 14.37 -11.66 O 12.56 -12.00 O 18.43 -11.31 C 19.23 -14.00 C 12.14 -9.50 C 13.00 -8.34 C 14.37 -6.47 C 15.72 -6.91 O 16.12 -12.00 C 17.87 -13.68 C 13.00 -10.67 C 17.47 -12.33 C 13.51 -7.63 C 15.72 -10.67 C 16.57 -9.50 C 15.72 -8.34 C 14.37 -10.23 C 14.37 -8.79 22 1 -2 2 10 1 3 16 1 19 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 18 2 10 16 2 11 12 2 11 17 1 12 24 1 13 14 1 13 19 1 14 22 1 15 18 1 20 15 -2 16 18 1 17 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.47 -7.91 C:16 20.19 -12.99 C:21 16.91 -14.70 C:16 12.07 -7.63 C:25 17.80 -10.23 C:20 17.80 -8.88 C:24 14.37 -11.66 O 12.56 -12.00 O 18.43 -11.31 C:139 19.23 -14.00 C:130 12.14 -9.50 C:168 13.00 -8.34 C:36 14.37 -6.47 C:28 15.72 -6.91 O 16.12 -12.00 C:128 17.87 -13.68 C:212 13.00 -10.67 C:167 17.47 -12.33 C:39 13.51 -7.63 C:86 15.72 -10.67 C:43 16.57 -9.50 C:58 15.72 -8.34 C:57 14.37 -10.23 C:65 14.37 -8.79 22 1 -2 2 10 1 3 16 1 19 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 18 2 10 16 2 11 12 2 11 17 1 12 24 1 13 14 1 13 19 1 14 22 1 15 18 1 20 15 -2 16 18 1 17 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', 'C20H28O3', 316.22, 'C', 'np02_448_4', 2974, '', '', '1', 1, NULL, NULL),
(11481, '', '5α-Senecioyloxysilphinen-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Silphinanes', '[H][C@@:7]13[CH2:11][CH2:10][C@@H:9]([CH3:15])[C:8]12[CH:1]=[CH:2][C:3](=O)[C@@:4]2([CH3:12])[C@@H:5](O[C:5001](=O)[CH:5002]=[C:5003]([CH3:5004])[CH3:5005])[C@:6]3([CH3:14])[CH3:13]', '[H][C@@]13CC[C@@H](C)C12C=CC(=O)[C@@]2(C)[C@@H](OC(=O)C=C(C)C)[C@]3(C)C', '[H][C@@:58]13[CH2:28][CH2:36][C@@H:39]([CH3:16])[C:65]12[CH:168]=[CH:130][C:212](=O)[C@@:57]2([CH3:24])[C@@H:85](O[C:168](=O)[CH:116]=[C:157]([CH3:28])[CH3:20])[C@:43]3([CH3:20])[CH3:25]', '24 26 H 16.46 -7.57 C:5004 19.62 -15.00 C:5005 20.17 -12.64 C:15 12.06 -7.29 C:14 17.79 -8.54 C:13 17.79 -9.89 C:12 14.36 -11.32 O 18.42 -10.97 O 12.55 -11.66 C:2 12.13 -9.16 C:1 12.99 -8.00 C:5002 17.86 -13.34 C:10 14.36 -6.13 C:11 15.71 -6.57 O 16.11 -11.66 C:5003 19.22 -13.66 C:5001 17.46 -11.99 C:3 12.99 -10.33 C:9 13.50 -7.29 C:5 15.71 -10.33 C:6 16.56 -9.16 C:7 15.71 -8.00 C:4 14.36 -9.89 C:8 14.36 -8.45 22 1 -2 2 16 1 3 16 1 19 4 -2 21 5 -2 21 6 -1 23 7 -1 8 17 2 9 18 2 10 11 2 10 18 1 11 24 1 12 16 2 12 17 1 13 14 1 13 19 1 14 22 1 15 17 1 20 15 -2 18 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.46 -7.57 C 19.62 -15.00 C 20.17 -12.64 C 12.06 -7.29 C 17.79 -8.54 C 17.79 -9.89 C 14.36 -11.32 O 18.42 -10.97 O 12.55 -11.66 C 12.13 -9.16 C 12.99 -8.00 C 17.86 -13.34 C 14.36 -6.13 C 15.71 -6.57 O 16.11 -11.66 C 19.22 -13.66 C 17.46 -11.99 C 12.99 -10.33 C 13.50 -7.29 C 15.71 -10.33 C 16.56 -9.16 C 15.71 -8.00 C 14.36 -9.89 C 14.36 -8.45 22 1 -2 2 16 1 3 16 1 19 4 -2 21 5 -2 21 6 -1 23 7 -1 8 17 2 9 18 2 10 11 2 10 18 1 11 24 1 12 16 2 12 17 1 13 14 1 13 19 1 14 22 1 15 17 1 20 15 -2 18 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.46 -7.57 C:28 19.62 -15.00 C:20 20.17 -12.64 C:16 12.06 -7.29 C:20 17.79 -8.54 C:25 17.79 -9.89 C:24 14.36 -11.32 O 18.42 -10.97 O 12.55 -11.66 C:130 12.13 -9.16 C:168 12.99 -8.00 C:116 17.86 -13.34 C:36 14.36 -6.13 C:28 15.71 -6.57 O 16.11 -11.66 C:157 19.22 -13.66 C:168 17.46 -11.99 C:212 12.99 -10.33 C:39 13.50 -7.29 C:85 15.71 -10.33 C:43 16.56 -9.16 C:58 15.71 -8.00 C:57 14.36 -9.89 C:65 14.36 -8.45 22 1 -2 2 16 1 3 16 1 19 4 -2 21 5 -2 21 6 -1 23 7 -1 8 17 2 9 18 2 10 11 2 10 18 1 11 24 1 12 16 2 12 17 1 13 14 1 13 19 1 14 22 1 15 17 1 20 15 -2 18 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', 'C20H28O3', 316.22, 'C', 'np02_448_5', 2974, '', '', '1', 1, NULL, NULL),
(11482, '', '5α-Acetoxysilfinen-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Silphinanes', '[H][C@@:7]13[CH2:11][CH2:10][C@@H:9]([CH3:15])[C:8]12[CH:1]=[CH:2][C:3](=O)[C@@:4]2([CH3:12])[C@@H:5](O[C:5001]([CH3:5002])=O)[C@@:6]3([CH3:13])[CH3:14]', '[H][C@@]13CC[C@@H](C)C12C=CC(=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@]3(C)C', '[H][C@@:58]13[CH2:28][CH2:36][C@@H:39]([CH3:16])[C:64]12[CH:168]=[CH:130][C:211](=O)[C@@:56]2([CH3:24])[C@@H:86](O[C:171]([CH3:21])=O)[C@@:42]3([CH3:25])[CH3:20]', '21 23 H 17.35 -8.40 C:5002 18.75 -14.17 C:15 12.95 -8.12 C:13 18.68 -10.72 C:14 18.68 -9.37 C:12 15.25 -12.15 O 19.31 -11.80 O 13.44 -12.49 C:2 13.02 -9.99 C:1 13.88 -8.83 C:10 15.25 -6.96 C:11 16.60 -7.40 O 17.00 -12.49 C:5001 18.35 -12.82 C:3 13.88 -11.16 C:9 14.39 -8.12 C:5 16.60 -11.16 C:6 17.45 -9.99 C:7 16.60 -8.83 C:4 15.25 -10.72 C:8 15.25 -9.28 19 1 -2 2 14 1 16 3 -2 18 4 -1 18 5 -2 20 6 -1 7 14 2 8 15 2 9 10 2 9 15 1 10 21 1 11 12 1 11 16 1 12 19 1 13 14 1 17 13 -2 15 20 1 16 21 1 17 18 1 17 20 1 18 19 1 19 21 1 20 21 1', '21 23 H 17.35 -8.40 C 18.75 -14.17 C 12.95 -8.12 C 18.68 -10.72 C 18.68 -9.37 C 15.25 -12.15 O 19.31 -11.80 O 13.44 -12.49 C 13.02 -9.99 C 13.88 -8.83 C 15.25 -6.96 C 16.60 -7.40 O 17.00 -12.49 C 18.35 -12.82 C 13.88 -11.16 C 14.39 -8.12 C 16.60 -11.16 C 17.45 -9.99 C 16.60 -8.83 C 15.25 -10.72 C 15.25 -9.28 19 1 -2 2 14 1 16 3 -2 18 4 -1 18 5 -2 20 6 -1 7 14 2 8 15 2 9 10 2 9 15 1 10 21 1 11 12 1 11 16 1 12 19 1 13 14 1 17 13 -2 15 20 1 16 21 1 17 18 1 17 20 1 18 19 1 19 21 1 20 21 1', '21 23 H 17.35 -8.40 C:21 18.75 -14.17 C:16 12.95 -8.12 C:25 18.68 -10.72 C:20 18.68 -9.37 C:24 15.25 -12.15 O 19.31 -11.80 O 13.44 -12.49 C:130 13.02 -9.99 C:168 13.88 -8.83 C:36 15.25 -6.96 C:28 16.60 -7.40 O 17.00 -12.49 C:171 18.35 -12.82 C:211 13.88 -11.16 C:39 14.39 -8.12 C:86 16.60 -11.16 C:42 17.45 -9.99 C:58 16.60 -8.83 C:56 15.25 -10.72 C:64 15.25 -9.28 19 1 -2 2 14 1 16 3 -2 18 4 -1 18 5 -2 20 6 -1 7 14 2 8 15 2 9 10 2 9 15 1 10 21 1 11 12 1 11 16 1 12 19 1 13 14 1 17 13 -2 15 20 1 16 21 1 17 18 1 17 20 1 18 19 1 19 21 1 20 21 1', 'C17H24O3', 276.188, 'C', 'np02_448_6', 2974, '', '', '1', 1, NULL, NULL),
(11483, '', '5α-Tigloyloxysilphinen-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Silphinanes', '[H][C@@:7]13[CH2:11][CH2:10][C@@H:9]([CH3:15])[C:8]12[CH:1]=[CH:2][C:3](=O)[C@@:4]2([CH3:12])[C@@H:5](O[C:5001](=O)[C:5002]([CH3:5005])=[CH:5003][CH3:5004])[C@@:6]3([CH3:13])[CH3:14]', '[H][C@@]13CC[C@@H](C)C12C=CC(=O)[C@@]2(C)[C@@H](OC(=O)C(C)=CC)[C@@]3(C)C', '[H][C@@:58]13[CH2:28][CH2:36][C@@H:39]([CH3:16])[C:65]12[CH:168]=[CH:130][C:212](=O)[C@@:57]2([CH3:24])[C@@H:86](O[C:168](=O)[C:128]([CH3:12])=[CH:138][CH3:14])[C@@:43]3([CH3:25])[CH3:20]', '24 26 H 16.74 -7.57 C:5004 19.90 -15.00 C:5005 17.18 -14.36 C:15 12.34 -7.29 C:13 18.07 -9.89 C:14 18.07 -8.54 C:12 14.64 -11.32 O 12.83 -11.66 O 18.70 -10.97 C:5003 19.50 -13.66 C:2 12.41 -9.16 C:1 13.27 -8.00 C:10 14.64 -6.13 C:11 15.99 -6.57 O 16.39 -11.66 C:5002 18.14 -13.34 C:3 13.27 -10.33 C:5001 17.74 -11.99 C:9 13.78 -7.29 C:5 15.99 -10.33 C:6 16.84 -9.16 C:7 15.99 -8.00 C:4 14.64 -9.89 C:8 14.64 -8.45 22 1 -2 2 10 1 3 16 1 19 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 18 2 10 16 2 11 12 2 11 17 1 12 24 1 13 14 1 13 19 1 14 22 1 15 18 1 20 15 -2 16 18 1 17 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.74 -7.57 C 19.90 -15.00 C 17.18 -14.36 C 12.34 -7.29 C 18.07 -9.89 C 18.07 -8.54 C 14.64 -11.32 O 12.83 -11.66 O 18.70 -10.97 C 19.50 -13.66 C 12.41 -9.16 C 13.27 -8.00 C 14.64 -6.13 C 15.99 -6.57 O 16.39 -11.66 C 18.14 -13.34 C 13.27 -10.33 C 17.74 -11.99 C 13.78 -7.29 C 15.99 -10.33 C 16.84 -9.16 C 15.99 -8.00 C 14.64 -9.89 C 14.64 -8.45 22 1 -2 2 10 1 3 16 1 19 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 18 2 10 16 2 11 12 2 11 17 1 12 24 1 13 14 1 13 19 1 14 22 1 15 18 1 20 15 -2 16 18 1 17 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', '24 26 H 16.74 -7.57 C:14 19.90 -15.00 C:12 17.18 -14.36 C:16 12.34 -7.29 C:25 18.07 -9.89 C:20 18.07 -8.54 C:24 14.64 -11.32 O 12.83 -11.66 O 18.70 -10.97 C:138 19.50 -13.66 C:130 12.41 -9.16 C:168 13.27 -8.00 C:36 14.64 -6.13 C:28 15.99 -6.57 O 16.39 -11.66 C:128 18.14 -13.34 C:212 13.27 -10.33 C:168 17.74 -11.99 C:39 13.78 -7.29 C:86 15.99 -10.33 C:43 16.84 -9.16 C:58 15.99 -8.00 C:57 14.64 -9.89 C:65 14.64 -8.45 22 1 -2 2 10 1 3 16 1 19 4 -2 21 5 -1 21 6 -2 23 7 -1 8 17 2 9 18 2 10 16 2 11 12 2 11 17 1 12 24 1 13 14 1 13 19 1 14 22 1 15 18 1 20 15 -2 16 18 1 17 23 1 19 24 1 20 21 1 20 23 1 21 22 1 22 24 1 23 24 1', 'C20H28O3', 316.22, 'C+C', 'np02_448_7', 2974, '', '', '1', 1, NULL, NULL),
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(11500, '', '(+)-5-Hydroxymethyl-5-methylfuran-2-one', 'Miscellanea', 'Butanolides', '', '[CH3:5001][C@:5]1([CH2:5002]O)[CH:4]=[CH:3][C:2](=O)O1', 'C[C@]1(CO)C=CC(=O)O1', '[CH3:20][C@:89]1([CH2:67]O)[CH:158]=[CH:122][C:173](=O)O1', '9 9 C:5001 17.98 -9.25 O 13.45 -9.86 O 18.85 -11.92 C:3 15.21 -11.62 C:4 16.61 -11.62 C:5002 18.42 -10.58 O 15.91 -9.47 C:2 14.78 -10.29 C:5 17.05 -10.29 9 1 -2 2 8 2 3 6 1 4 5 2 4 8 1 5 9 1 9 6 -1 7 8 1 7 9 1', '9 9 C 17.98 -9.25 O 13.45 -9.86 O 18.85 -11.92 C 15.21 -11.62 C 16.61 -11.62 C 18.42 -10.58 O 15.91 -9.47 C 14.78 -10.29 C 17.05 -10.29 9 1 -2 2 8 2 3 6 1 4 5 2 4 8 1 5 9 1 9 6 -1 7 8 1 7 9 1', '9 9 C:20 17.98 -9.25 O 13.45 -9.86 O 18.85 -11.92 C:122 15.21 -11.62 C:158 16.61 -11.62 C:67 18.42 -10.58 O 15.91 -9.47 C:173 14.78 -10.29 C:89 17.05 -10.29 9 1 -2 2 8 2 3 6 1 4 5 2 4 8 1 5 9 1 9 6 -1 7 8 1 7 9 1', 'C6H8O3', 128.062, 'C', 'np04_592_6', 2976, '', '', '1', 1, NULL, NULL),
(11501, '', '(+)-5-Acetoxymethyl-5-methylfuran-2-one', 'Miscellanea', 'Butanolides', '', '[CH3:5004][C:5003](=O)O[CH2:5002][C@@:5]1([CH3:5001])[CH:4]=[CH:3][C:2](=O)O1', 'CC(=O)OC[C@@]1(C)C=CC(=O)O1', '[CH3:21][C:170](=O)O[CH2:66][C@@:87]1([CH3:21])[CH:157]=[CH:122][C:172](=O)O1', '12 12 C:5004 19.47 -12.71 C:5001 16.80 -8.41 O 19.99 -10.35 O 12.27 -9.02 C:3 14.03 -10.78 C:4 15.43 -10.78 C:5002 17.24 -9.74 O 17.67 -11.08 O 14.73 -8.63 C:5003 19.04 -11.38 C:2 13.60 -9.45 C:5 15.87 -9.45 1 10 1 12 2 -2 3 10 2 4 11 2 5 6 2 5 11 1 6 12 1 7 8 1 12 7 -1 8 10 1 9 11 1 9 12 1', '12 12 C 19.47 -12.71 C 16.80 -8.41 O 19.99 -10.35 O 12.27 -9.02 C 14.03 -10.78 C 15.43 -10.78 C 17.24 -9.74 O 17.67 -11.08 O 14.73 -8.63 C 19.04 -11.38 C 13.60 -9.45 C 15.87 -9.45 1 10 1 12 2 -2 3 10 2 4 11 2 5 6 2 5 11 1 6 12 1 7 8 1 12 7 -1 8 10 1 9 11 1 9 12 1', '12 12 C:21 19.47 -12.71 C:21 16.80 -8.41 O 19.99 -10.35 O 12.27 -9.02 C:122 14.03 -10.78 C:157 15.43 -10.78 C:66 17.24 -9.74 O 17.67 -11.08 O 14.73 -8.63 C:170 19.04 -11.38 C:172 13.60 -9.45 C:87 15.87 -9.45 1 10 1 12 2 -2 3 10 2 4 11 2 5 6 2 5 11 1 6 12 1 7 8 1 12 7 -1 8 10 1 9 11 1 9 12 1', 'C8H10O4', 170.083, '', 'np04_592_7', 2976, '', '', '1', 1, NULL, NULL),
(11503, 'Hebelophyllene A', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@:11]([CH3:13])([CH3:12])[C@@:1]1([H])[C@H:2](O)[C@H:3](O)[C:4]([CH3:14])=[CH:5][CH2:6][C:7](=O)[C:8]2=[CH2:15]', '[H][C@]12C[C@](C)(C)[C@@]1([H])[C@H](O)[C@H](O)C(C)=CCC(=O)C2=C', '[H][C@:34]12[CH2:42][C@:35]([CH3:34])([CH3:24])[C@@:47]1([H])[C@H:71](O)[C@H:78](O)[C:139]([CH3:18])=[CH:118][CH2:40][C:205](=O)[C:155]2=[CH2:123]', '20 21 H 13.48 -10.93 H 16.21 -10.45 C:15 13.06 -12.72 C:14 19.20 -9.87 C:13 14.62 -7.10 C:12 13.34 -7.45 O 15.49 -14.12 O 17.94 -7.10 O 16.29 -7.10 C:5 16.81 -10.54 C:6 16.81 -11.97 C:10 13.34 -9.34 C:4 17.86 -9.61 C:8 14.31 -11.97 C:7 15.49 -12.72 C:3 17.27 -8.32 C:2 15.90 -8.52 C:11 14.62 -8.52 C:9 14.31 -10.54 C:1 15.49 -9.81 19 1 -2 20 2 -2 3 14 2 4 13 1 18 5 -1 18 6 -2 7 15 2 16 8 -2 17 9 -2 10 11 1 10 13 2 11 15 1 12 18 1 12 19 1 13 16 1 14 15 1 14 19 1 16 17 1 17 20 1 18 20 1 19 20 1', '20 21 H 13.48 -10.93 H 16.21 -10.45 C 13.06 -12.72 C 19.20 -9.87 C 14.62 -7.10 C 13.34 -7.45 O 15.49 -14.12 O 17.94 -7.10 O 16.29 -7.10 C 16.81 -10.54 C 16.81 -11.97 C 13.34 -9.34 C 17.86 -9.61 C 14.31 -11.97 C 15.49 -12.72 C 17.27 -8.32 C 15.90 -8.52 C 14.62 -8.52 C 14.31 -10.54 C 15.49 -9.81 19 1 -2 20 2 -2 3 14 2 4 13 1 18 5 -1 18 6 -2 7 15 2 16 8 -2 17 9 -2 10 11 1 10 13 2 11 15 1 12 18 1 12 19 1 13 16 1 14 15 1 14 19 1 16 17 1 17 20 1 18 20 1 19 20 1', '20 21 H 13.48 -10.93 H 16.21 -10.45 C:123 13.06 -12.72 C:18 19.20 -9.87 C:34 14.62 -7.10 C:24 13.34 -7.45 O 15.49 -14.12 O 17.94 -7.10 O 16.29 -7.10 C:118 16.81 -10.54 C:40 16.81 -11.97 C:42 13.34 -9.34 C:139 17.86 -9.61 C:155 14.31 -11.97 C:205 15.49 -12.72 C:78 17.27 -8.32 C:71 15.90 -8.52 C:35 14.62 -8.52 C:34 14.31 -10.54 C:47 15.49 -9.81 19 1 -2 20 2 -2 3 14 2 4 13 1 18 5 -1 18 6 -2 7 15 2 16 8 -2 17 9 -2 10 11 1 10 13 2 11 15 1 12 18 1 12 19 1 13 16 1 14 15 1 14 19 1 16 17 1 17 20 1 18 20 1 19 20 1', 'C15H22O3', 250.175, 'C', 'ph51_873_1', 2978, '', '', '1', 1, NULL, NULL),
(11504, 'Hebelophyllene B', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@@:11]([CH3:12])([CH3:13])[C@@:1]1([H])[C@H:2](O)[C@H:3](O)[C:4]([CH3:14])=[CH:5][CH2:6][C@@H:7](O)[C:8]2=[CH2:15]', '[H][C@]12C[C@@](C)(C)[C@@]1([H])[C@H](O)[C@H](O)C(C)=CC[C@@H](O)C2=C', '[H][C@:38]12[CH2:44][C@@:34]([CH3:25])([CH3:33])[C@@:48]1([H])[C@H:71](O)[C@H:79](O)[C:136]([CH3:18])=[CH:120][CH2:36][C@@H:78](O)[C:158]2=[CH2:110]', '20 21 H 13.48 -10.93 H 16.21 -10.45 C:15 13.06 -12.72 C:14 19.20 -9.87 C:12 13.34 -7.45 C:13 14.62 -7.10 O 15.49 -14.12 O 17.94 -7.10 O 16.29 -7.10 C:5 16.81 -10.54 C:6 16.81 -11.97 C:10 13.34 -9.34 C:4 17.86 -9.61 C:8 14.31 -11.97 C:7 15.49 -12.72 C:3 17.27 -8.32 C:2 15.90 -8.52 C:11 14.62 -8.52 C:9 14.31 -10.54 C:1 15.49 -9.81 19 1 -2 20 2 -2 3 14 2 4 13 1 18 5 -2 18 6 -1 15 7 -1 16 8 -2 17 9 -2 10 11 1 10 13 2 11 15 1 12 18 1 12 19 1 13 16 1 14 15 1 14 19 1 16 17 1 17 20 1 18 20 1 19 20 1', '20 21 H 13.48 -10.93 H 16.21 -10.45 C 13.06 -12.72 C 19.20 -9.87 C 13.34 -7.45 C 14.62 -7.10 O 15.49 -14.12 O 17.94 -7.10 O 16.29 -7.10 C 16.81 -10.54 C 16.81 -11.97 C 13.34 -9.34 C 17.86 -9.61 C 14.31 -11.97 C 15.49 -12.72 C 17.27 -8.32 C 15.90 -8.52 C 14.62 -8.52 C 14.31 -10.54 C 15.49 -9.81 19 1 -2 20 2 -2 3 14 2 4 13 1 18 5 -2 18 6 -1 15 7 -1 16 8 -2 17 9 -2 10 11 1 10 13 2 11 15 1 12 18 1 12 19 1 13 16 1 14 15 1 14 19 1 16 17 1 17 20 1 18 20 1 19 20 1', '20 21 H 13.48 -10.93 H 16.21 -10.45 C:110 13.06 -12.72 C:18 19.20 -9.87 C:25 13.34 -7.45 C:33 14.62 -7.10 O 15.49 -14.12 O 17.94 -7.10 O 16.29 -7.10 C:120 16.81 -10.54 C:36 16.81 -11.97 C:44 13.34 -9.34 C:136 17.86 -9.61 C:158 14.31 -11.97 C:78 15.49 -12.72 C:79 17.27 -8.32 C:71 15.90 -8.52 C:34 14.62 -8.52 C:38 14.31 -10.54 C:48 15.49 -9.81 19 1 -2 20 2 -2 3 14 2 4 13 1 18 5 -2 18 6 -1 15 7 -1 16 8 -2 17 9 -2 10 11 1 10 13 2 11 15 1 12 18 1 12 19 1 13 16 1 14 15 1 14 19 1 16 17 1 17 20 1 18 20 1 19 20 1', 'C15H24O3', 252.175, 'C', 'ph51_873_2', 2978, '', '', '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
(11505, 'Hebelophyllene C', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@:11]([CH3:13])([CH3:12])[C@@:1]1([H])[C@H:2](O)[C:3](=O)[C@H:4]([CH3:14])[C@@H:5](O)[CH2:6][C:7](=O)[C:8]2=[CH2:15]', '[H][C@]12C[C@](C)(C)[C@@]1([H])[C@H](O)C(=O)[C@H](C)[C@@H](O)CC(=O)C2=C', '[H][C@:31]12[CH2:35][C@:35]([CH3:33])([CH3:26])[C@@:49]1([H])[C@H:72](O)[C:214](=O)[C@H:52]([CH3:99])[C@@H:69](O)[CH2:46][C:206](=O)[C:152]2=[CH2:122]', '21 22 H 15.11 -12.81 H 15.11 -9.53 C:15 16.37 -14.19 C:14 18.83 -7.01 C:13 13.75 -9.02 C:12 12.18 -10.72 O 18.88 -12.71 O 15.75 -7.33 O 20.08 -9.80 O 15.49 -8.65 C:6 17.67 -10.48 C:10 13.62 -11.98 C:8 16.37 -12.71 C:7 17.67 -11.98 C:3 16.69 -8.37 C:4 18.12 -8.22 C:5 18.70 -9.53 C:2 16.37 -9.74 C:11 13.62 -10.48 C:9 15.11 -11.98 C:1 15.11 -10.48 20 1 -2 21 2 -2 3 13 2 16 4 -2 19 5 -1 19 6 -2 7 14 2 8 15 2 17 9 -1 18 10 -2 11 14 1 11 17 1 12 19 1 12 20 1 13 14 1 13 20 1 15 16 1 15 18 1 16 17 1 18 21 1 19 21 1 20 21 1', '21 22 H 15.11 -12.81 H 15.11 -9.53 C 16.37 -14.19 C 18.83 -7.01 C 13.75 -9.02 C 12.18 -10.72 O 18.88 -12.71 O 15.75 -7.33 O 20.08 -9.80 O 15.49 -8.65 C 17.67 -10.48 C 13.62 -11.98 C 16.37 -12.71 C 17.67 -11.98 C 16.69 -8.37 C 18.12 -8.22 C 18.70 -9.53 C 16.37 -9.74 C 13.62 -10.48 C 15.11 -11.98 C 15.11 -10.48 20 1 -2 21 2 -2 3 13 2 16 4 -2 19 5 -1 19 6 -2 7 14 2 8 15 2 17 9 -1 18 10 -2 11 14 1 11 17 1 12 19 1 12 20 1 13 14 1 13 20 1 15 16 1 15 18 1 16 17 1 18 21 1 19 21 1 20 21 1', '21 22 H 15.11 -12.81 H 15.11 -9.53 C:122 16.37 -14.19 C:9 18.83 -7.01 C:33 13.75 -9.02 C:26 12.18 -10.72 O 18.88 -12.71 O 15.75 -7.33 O 20.08 -9.80 O 15.49 -8.65 C:46 17.67 -10.48 C:35 13.62 -11.98 C:152 16.37 -12.71 C:206 17.67 -11.98 C:214 16.69 -8.37 C:52 18.12 -8.22 C:69 18.70 -9.53 C:72 16.37 -9.74 C:35 13.62 -10.48 C:31 15.11 -11.98 C:49 15.11 -10.48 20 1 -2 21 2 -2 3 13 2 16 4 -2 19 5 -1 19 6 -2 7 14 2 8 15 2 17 9 -1 18 10 -2 11 14 1 11 17 1 12 19 1 12 20 1 13 14 1 13 20 1 15 16 1 15 18 1 16 17 1 18 21 1 19 21 1 20 21 1', 'C15H22O4', 266.174, 'C', 'ph51_873_4', 2978, '', '', '1', 1, NULL, NULL),
(11506, 'Hebelophyllene G', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[CH2:15]=[C:8]([C:7](=O)O[CH3:7001])[C@H:9]1[CH2:10][C@@:11]([CH3:12])([CH3:13])[C@H:1]1[CH2:2][C@H:3](O)[C:4](=[CH2:14])[C@H:5](O)[CH2:6]O', 'C=C(C(=O)OC)[C@H]1C[C@@](C)(C)[C@H]1C[C@H](O)C(=C)[C@H](O)CO', '[CH2:125]=[C:142]([C:170](=O)O[CH3:52])[C@H:34]1[CH2:36][C@@:34]([CH3:26])([CH3:31])[C@H:45]1[CH2:35][C@H:72](O)[C:154](=[CH2:112])[C@H:74](O)[CH2:67]O', '21 21 C:15 16.29 -14.44 C:14 17.50 -6.75 C:7001 19.93 -12.34 C:12 12.29 -11.16 C:13 13.90 -9.56 O 17.50 -10.94 O 19.93 -10.94 O 19.93 -8.15 O 15.08 -8.15 C:6 18.71 -10.25 C:2 16.29 -10.25 C:10 13.68 -12.34 O 18.71 -13.04 C:8 16.29 -13.04 C:4 17.50 -8.15 C:7 17.50 -12.34 C:5 18.71 -8.85 C:3 16.29 -8.85 C:9 15.08 -12.34 C:1 15.08 -10.94 C:11 13.68 -10.94 1 14 2 2 15 2 3 13 1 21 4 -2 21 5 -1 6 16 2 7 10 1 17 8 -2 18 9 -2 10 17 1 11 18 1 20 11 -1 12 19 1 12 21 1 13 16 1 14 16 1 19 14 -1 15 17 1 15 18 1 19 20 1 20 21 1', '21 21 C 16.29 -14.44 C 17.50 -6.75 C 19.93 -12.34 C 12.29 -11.16 C 13.90 -9.56 O 17.50 -10.94 O 19.93 -10.94 O 19.93 -8.15 O 15.08 -8.15 C 18.71 -10.25 C 16.29 -10.25 C 13.68 -12.34 O 18.71 -13.04 C 16.29 -13.04 C 17.50 -8.15 C 17.50 -12.34 C 18.71 -8.85 C 16.29 -8.85 C 15.08 -12.34 C 15.08 -10.94 C 13.68 -10.94 1 14 2 2 15 2 3 13 1 21 4 -2 21 5 -1 6 16 2 7 10 1 17 8 -2 18 9 -2 10 17 1 11 18 1 20 11 -1 12 19 1 12 21 1 13 16 1 14 16 1 19 14 -1 15 17 1 15 18 1 19 20 1 20 21 1', '21 21 C:125 16.29 -14.44 C:112 17.50 -6.75 C:52 19.93 -12.34 C:26 12.29 -11.16 C:31 13.90 -9.56 O 17.50 -10.94 O 19.93 -10.94 O 19.93 -8.15 O 15.08 -8.15 C:67 18.71 -10.25 C:35 16.29 -10.25 C:36 13.68 -12.34 O 18.71 -13.04 C:142 16.29 -13.04 C:154 17.50 -8.15 C:170 17.50 -12.34 C:74 18.71 -8.85 C:72 16.29 -8.85 C:34 15.08 -12.34 C:45 15.08 -10.94 C:34 13.68 -10.94 1 14 2 2 15 2 3 13 1 21 4 -2 21 5 -1 6 16 2 7 10 1 17 8 -2 18 9 -2 10 17 1 11 18 1 20 11 -1 12 19 1 12 21 1 13 16 1 14 16 1 19 14 -1 15 17 1 15 18 1 19 20 1 20 21 1', 'C16H26O5', 298.168, 'C', 'ph52_1421_1', 2979, '', '', '1', 1, NULL, NULL),
(11507, 'Hebelophyllene H', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@@:3]2([C:4]([CH3:14])(O)[CH:5]=[CH2:6])[CH2:2][C@:1]1([H])[C@@:11]([CH3:13])([CH3:12])[CH2:10][C@:9]1([H])[C:8](=[CH2:15])[C:7](=O)O2', '[H][C@@]2(C(C)(O)C=C)C[C@]1([H])[C@@](C)(C)C[C@]1([H])C(=C)C(=O)O2', '[H][C@@:86]2([C:75]([CH3:23])(O)[CH:140]=[CH2:115])[CH2:27][C@:45]1([H])[C@@:35]([CH3:29])([CH3:25])[CH2:38][C@:36]1([H])[C:144](=[CH2:123])[C:171](=O)O2', '21 22 H 16.90 -8.78 H 14.73 -12.63 H 14.73 -9.32 C:6 20.57 -7.59 C:15 15.56 -14.03 C:13 13.44 -8.78 C:12 11.69 -10.45 C:14 18.48 -7.12 O 18.23 -13.43 O 17.16 -7.59 C:5 19.66 -8.78 C:10 13.19 -11.75 C:2 15.89 -9.32 O 17.95 -10.98 C:8 15.89 -12.63 C:7 17.31 -12.29 C:11 13.19 -10.21 C:3 17.31 -9.67 C:4 18.23 -8.50 C:9 14.73 -11.75 C:1 14.73 -10.21 18 1 -2 20 2 -2 21 3 -2 4 11 2 5 15 2 17 6 -1 17 7 -2 8 19 1 9 16 2 10 19 1 11 19 1 12 17 1 12 20 1 13 18 1 13 21 1 14 16 1 14 18 1 15 16 1 15 20 1 17 21 1 18 19 1 20 21 1', '21 22 H 16.90 -8.78 H 14.73 -12.63 H 14.73 -9.32 C 20.57 -7.59 C 15.56 -14.03 C 13.44 -8.78 C 11.69 -10.45 C 18.48 -7.12 O 18.23 -13.43 O 17.16 -7.59 C 19.66 -8.78 C 13.19 -11.75 C 15.89 -9.32 O 17.95 -10.98 C 15.89 -12.63 C 17.31 -12.29 C 13.19 -10.21 C 17.31 -9.67 C 18.23 -8.50 C 14.73 -11.75 C 14.73 -10.21 18 1 -2 20 2 -2 21 3 -2 4 11 2 5 15 2 17 6 -1 17 7 -2 8 19 1 9 16 2 10 19 1 11 19 1 12 17 1 12 20 1 13 18 1 13 21 1 14 16 1 14 18 1 15 16 1 15 20 1 17 21 1 18 19 1 20 21 1', '21 22 H 16.90 -8.78 H 14.73 -12.63 H 14.73 -9.32 C:115 20.57 -7.59 C:123 15.56 -14.03 C:29 13.44 -8.78 C:25 11.69 -10.45 C:23 18.48 -7.12 O 18.23 -13.43 O 17.16 -7.59 C:140 19.66 -8.78 C:38 13.19 -11.75 C:27 15.89 -9.32 O 17.95 -10.98 C:144 15.89 -12.63 C:171 17.31 -12.29 C:35 13.19 -10.21 C:86 17.31 -9.67 C:75 18.23 -8.50 C:36 14.73 -11.75 C:45 14.73 -10.21 18 1 -2 20 2 -2 21 3 -2 4 11 2 5 15 2 17 6 -1 17 7 -2 8 19 1 9 16 2 10 19 1 11 19 1 12 17 1 12 20 1 13 18 1 13 21 1 14 16 1 14 18 1 15 16 1 15 20 1 17 21 1 18 19 1 20 21 1', 'C15H22O3', 250.183, 'C', 'ph52_1421_2', 2979, '', '', '1', 1, NULL, NULL),
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(11517, '6-Hydroxypunctaporonin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]12[CH2:10][C@:11]([CH3:13])([CH3:12])[C@:1]1(O)[C@@H:2](O)[CH2:3][C@:4]3([CH3:14])[C@H:5](O)[CH:6]=[CH:7][C@:8]23[CH2:15]O', '[H][C@]12C[C@](C)(C)[C@]1(O)[C@@H](O)C[C@]3(C)[C@H](O)C=C[C@]23CO', '[H][C@:48]12[CH2:36][C@:43]([CH3:24])([CH3:24])[C@:81]1(O)[C@@H:70](O)[CH2:41][C@:51]3([CH3:25])[C@H:88](O)[CH:131]=[CH:142][C@:56]23[CH2:63]O', '20 22 H 15.17 -12.11 C:13 13.70 -8.36 C:12 12.27 -10.04 C:14 18.86 -10.52 O 13.93 -12.20 O 20.05 -11.88 O 16.43 -7.68 O 15.35 -8.44 C:6 18.14 -13.49 C:7 16.75 -13.35 C:15 15.23 -12.72 C:3 17.70 -9.81 C:10 13.70 -11.27 C:5 18.69 -12.20 C:2 16.43 -9.07 C:11 13.70 -9.81 C:9 15.17 -11.27 C:4 17.70 -11.27 C:1 15.17 -9.81 C:8 16.43 -12.01 17 1 -2 16 2 -1 16 3 -2 18 4 -1 5 11 1 14 6 -2 15 7 -1 19 8 -1 9 10 2 9 14 1 10 20 1 20 11 -1 12 15 1 12 18 1 13 16 1 13 17 1 14 18 1 15 19 1 16 19 1 17 19 1 17 20 1 18 20 1', '20 22 H 15.17 -12.11 C 13.70 -8.36 C 12.27 -10.04 C 18.86 -10.52 O 13.93 -12.20 O 20.05 -11.88 O 16.43 -7.68 O 15.35 -8.44 C 18.14 -13.49 C 16.75 -13.35 C 15.23 -12.72 C 17.70 -9.81 C 13.70 -11.27 C 18.69 -12.20 C 16.43 -9.07 C 13.70 -9.81 C 15.17 -11.27 C 17.70 -11.27 C 15.17 -9.81 C 16.43 -12.01 17 1 -2 16 2 -1 16 3 -2 18 4 -1 5 11 1 14 6 -2 15 7 -1 19 8 -1 9 10 2 9 14 1 10 20 1 20 11 -1 12 15 1 12 18 1 13 16 1 13 17 1 14 18 1 15 19 1 16 19 1 17 19 1 17 20 1 18 20 1', '20 22 H 15.17 -12.11 C:24 13.70 -8.36 C:24 12.27 -10.04 C:25 18.86 -10.52 O 13.93 -12.20 O 20.05 -11.88 O 16.43 -7.68 O 15.35 -8.44 C:131 18.14 -13.49 C:142 16.75 -13.35 C:63 15.23 -12.72 C:41 17.70 -9.81 C:36 13.70 -11.27 C:88 18.69 -12.20 C:70 16.43 -9.07 C:43 13.70 -9.81 C:48 15.17 -11.27 C:51 17.70 -11.27 C:81 15.17 -9.81 C:56 16.43 -12.01 17 1 -2 16 2 -1 16 3 -2 18 4 -1 5 11 1 14 6 -2 15 7 -1 19 8 -1 9 10 2 9 14 1 10 20 1 20 11 -1 12 15 1 12 18 1 13 16 1 13 17 1 14 18 1 15 19 1 16 19 1 17 19 1 17 20 1 18 20 1', 'C15H24O4', 268.166, 'M', 'np06_608_3', 2981, '', '', '1', 1, NULL, NULL),
(11518, '', '(1R,2S,4R,5R,9S)-4,5-Epoxy-13-norcaryophyllan-8-one', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]13[CH2:10][C@@:11]([CH3:12])([CH3:13])[C@:1]1([H])[C@@H:2](O)[CH2:3][C@@:4]2([CH3:14])O[C@@H:5]2[CH2:6][CH2:7][C:8]3=O', '[H][C@]13C[C@@](C)(C)[C@]1([H])[C@@H](O)C[C@@]2(C)O[C@@H]2CCC3=O', '[H][C@:47]13[CH2:31][C@@:36]([CH3:23])([CH3:32])[C@:55]1([H])[C@@H:71](O)[CH2:49][C@@:57]2([CH3:18])O[C@@H:62]2[CH2:37][CH2:39][C:214]3=O', '19 21 H 15.37 -12.80 H 15.37 -9.52 C:12 12.45 -10.69 C:13 14.12 -8.99 C:14 19.10 -6.99 O 16.65 -14.18 O 16.00 -8.48 C:7 17.94 -11.95 C:6 17.94 -10.46 C:3 16.97 -8.35 C:10 13.89 -11.95 O 19.78 -8.35 C:8 16.65 -12.70 C:2 16.65 -9.72 C:5 18.97 -9.52 C:11 13.89 -10.46 C:4 18.38 -8.21 C:9 15.37 -11.95 C:1 15.37 -10.46 18 1 -2 19 2 -1 16 3 -2 16 4 -1 17 5 -2 6 13 2 14 7 -1 8 9 1 8 13 1 9 15 1 10 14 1 10 17 1 11 16 1 11 18 1 15 12 -2 12 17 1 13 18 1 14 19 1 15 17 1 16 19 1 18 19 1', '19 21 H 15.37 -12.80 H 15.37 -9.52 C 12.45 -10.69 C 14.12 -8.99 C 19.10 -6.99 O 16.65 -14.18 O 16.00 -8.48 C 17.94 -11.95 C 17.94 -10.46 C 16.97 -8.35 C 13.89 -11.95 O 19.78 -8.35 C 16.65 -12.70 C 16.65 -9.72 C 18.97 -9.52 C 13.89 -10.46 C 18.38 -8.21 C 15.37 -11.95 C 15.37 -10.46 18 1 -2 19 2 -1 16 3 -2 16 4 -1 17 5 -2 6 13 2 14 7 -1 8 9 1 8 13 1 9 15 1 10 14 1 10 17 1 11 16 1 11 18 1 15 12 -2 12 17 1 13 18 1 14 19 1 15 17 1 16 19 1 18 19 1', '19 21 H 15.37 -12.80 H 15.37 -9.52 C:23 12.45 -10.69 C:32 14.12 -8.99 C:18 19.10 -6.99 O 16.65 -14.18 O 16.00 -8.48 C:39 17.94 -11.95 C:37 17.94 -10.46 C:49 16.97 -8.35 C:31 13.89 -11.95 O 19.78 -8.35 C:214 16.65 -12.70 C:71 16.65 -9.72 C:62 18.97 -9.52 C:36 13.89 -10.46 C:57 18.38 -8.21 C:47 15.37 -11.95 C:55 15.37 -10.46 18 1 -2 19 2 -1 16 3 -2 16 4 -1 17 5 -2 6 13 2 14 7 -1 8 9 1 8 13 1 9 15 1 10 14 1 10 17 1 11 16 1 11 18 1 15 12 -2 12 17 1 13 18 1 14 19 1 15 17 1 16 19 1 18 19 1', 'C14H22O3', 238.164, 'C', 'np06_1429_6', 2982, '', '', '1', 1, NULL, NULL),
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(11520, '', '(1R,4R,5R,8S,9S,13S)-Caryolane-5,8,13-triol', 'Terpenoids', 'Sesquiterpenoids', 'Caryophyllanes', '[H][C@:9]13[CH2:10][C@@:11]([CH3:12])([CH3:13])[C@:1]1([H])[CH2:2][C@@H:3](O)[C@@:4]2([CH3:14])O[C@@H:5]2[CH2:6][CH2:7][C@@H:8]3[CH2:15]O', '[H][C@]13C[C@@](C)(C)[C@]1([H])C[C@@H](O)[C@@]2(C)O[C@@H]2CC[C@@H]3CO', '[H][C@:34]13[CH2:40][C@@:35]([CH3:29])([CH3:31])[C@:50]1([H])[CH2:40][C@@H:66](O)[C@@:62]2([CH3:22])O[C@@H:65]2[CH2:29][CH2:27][C@@H:49]3[CH2:71]O', '20 22 H 15.37 -12.46 H 15.37 -9.18 C:12 12.45 -10.35 C:13 14.12 -8.65 C:14 19.10 -6.65 O 15.44 -14.54 O 16.04 -6.96 C:15 16.65 -13.84 C:7 17.94 -11.61 C:6 17.94 -10.12 C:2 16.65 -9.38 C:10 13.89 -11.61 O 19.78 -8.01 C:3 16.97 -8.01 C:8 16.65 -12.36 C:5 18.97 -9.18 C:11 13.89 -10.12 C:9 15.37 -11.61 C:1 15.37 -10.12 C:4 18.38 -7.87 18 1 -2 19 2 -1 17 3 -2 17 4 -1 20 5 -2 6 8 1 14 7 -1 15 8 -2 9 10 1 9 15 1 10 16 1 11 14 1 11 19 1 12 17 1 12 18 1 16 13 -2 13 20 1 14 20 1 15 18 1 16 20 1 17 19 1 18 19 1', '20 22 H 15.37 -12.46 H 15.37 -9.18 C 12.45 -10.35 C 14.12 -8.65 C 19.10 -6.65 O 15.44 -14.54 O 16.04 -6.96 C 16.65 -13.84 C 17.94 -11.61 C 17.94 -10.12 C 16.65 -9.38 C 13.89 -11.61 O 19.78 -8.01 C 16.97 -8.01 C 16.65 -12.36 C 18.97 -9.18 C 13.89 -10.12 C 15.37 -11.61 C 15.37 -10.12 C 18.38 -7.87 18 1 -2 19 2 -1 17 3 -2 17 4 -1 20 5 -2 6 8 1 14 7 -1 15 8 -2 9 10 1 9 15 1 10 16 1 11 14 1 11 19 1 12 17 1 12 18 1 16 13 -2 13 20 1 14 20 1 15 18 1 16 20 1 17 19 1 18 19 1', '20 22 H 15.37 -12.46 H 15.37 -9.18 C:29 12.45 -10.35 C:31 14.12 -8.65 C:22 19.10 -6.65 O 15.44 -14.54 O 16.04 -6.96 C:71 16.65 -13.84 C:27 17.94 -11.61 C:29 17.94 -10.12 C:40 16.65 -9.38 C:40 13.89 -11.61 O 19.78 -8.01 C:66 16.97 -8.01 C:49 16.65 -12.36 C:65 18.97 -9.18 C:35 13.89 -10.12 C:34 15.37 -11.61 C:50 15.37 -10.12 C:62 18.38 -7.87 18 1 -2 19 2 -1 17 3 -2 17 4 -1 20 5 -2 6 8 1 14 7 -1 15 8 -2 9 10 1 9 15 1 10 16 1 11 14 1 11 19 1 12 17 1 12 18 1 16 13 -2 13 20 1 14 20 1 15 18 1 16 20 1 17 19 1 18 19 1', 'C15H26O3', 254.175, 'C', 'np06_1429_9', 2982, '', '', '1', 1, NULL, NULL),
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(11528, 'Kaempferol-3-O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranoside', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:202002][C:202001](=O)O[C@H:202]4[C@H:201](O[c:3]3[c:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][cH:102]1)o[c:9]2[cH:8][c:7](O)[cH:6][c:5](O)[c:10]2[c:4]3=O)O[C@@H:205]([CH3:206])[C@H:204](O)[C@H:203]4O[C:203001]([CH3:203002])=O', 'CC(=O)O[C@H]4[C@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)O[C@@H](C)[C@H](O)[C@H]4OC(C)=O', '[CH3:21][C:171](=O)O[C@H:72]4[C@H:100](O[c:135]3[c:159]([c:122]1[cH:132][cH:117][c:162](O)[cH:117][cH:132]1)o[c:163]2[cH:100][c:166](O)[cH:95][c:159](O)[c:106]2[c:179]3=O)O[C@@H:71]([CH3:18])[C@H:71](O)[C@H:73]4O[C:172]([CH3:21])=O', '37 40 C:202002 22.21 -11.26 C:203002 21.00 -16.16 C:206 14.94 -14.06 O 21.00 -13.36 O 18.58 -16.16 O 14.94 -11.26 O 21.00 -4.95 O 10.09 -7.06 O 12.53 -11.26 O 17.38 -15.45 C:105 18.58 -4.95 C:103 19.79 -7.07 C:106 17.38 -5.66 C:102 18.58 -7.76 C:6 11.30 -9.16 C:8 12.53 -7.06 O 19.79 -11.26 O 19.79 -14.06 O 17.38 -9.86 O 16.15 -11.96 O 14.94 -7.06 C:202001 21.00 -11.96 C:203001 19.79 -15.45 C:104 19.79 -5.66 C:7 11.30 -7.76 C:101 17.38 -7.06 C:5 12.53 -9.86 C:2 16.15 -7.76 C:3 16.15 -9.16 C:4 14.94 -9.86 C:9 13.73 -7.76 C:10 13.73 -9.16 C:205 16.15 -13.36 C:201 17.38 -11.26 C:204 17.38 -14.06 C:202 18.58 -11.96 C:203 18.58 -13.36 1 22 1 2 23 1 33 3 -2 4 22 2 5 23 2 6 30 2 7 24 1 8 25 1 9 27 1 35 10 -1 11 13 2 11 24 1 12 14 1 12 24 2 13 26 1 14 26 2 15 25 2 15 27 1 16 25 1 16 31 2 17 22 1 36 17 -2 18 23 1 37 18 -2 19 29 1 34 19 -1 20 33 1 20 34 1 21 28 1 21 31 1 26 28 1 27 32 2 28 29 2 29 30 1 30 32 1 31 32 1 33 35 1 34 36 1 35 37 1 36 37 1', '37 40 C 22.21 -11.26 C 21.00 -16.16 C 14.94 -14.06 O 21.00 -13.36 O 18.58 -16.16 O 14.94 -11.26 O 21.00 -4.95 O 10.09 -7.06 O 12.53 -11.26 O 17.38 -15.45 C 18.58 -4.95 C 19.79 -7.07 C 17.38 -5.66 C 18.58 -7.76 C 11.30 -9.16 C 12.53 -7.06 O 19.79 -11.26 O 19.79 -14.06 O 17.38 -9.86 O 16.15 -11.96 O 14.94 -7.06 C 21.00 -11.96 C 19.79 -15.45 C 19.79 -5.66 C 11.30 -7.76 C 17.38 -7.06 C 12.53 -9.86 C 16.15 -7.76 C 16.15 -9.16 C 14.94 -9.86 C 13.73 -7.76 C 13.73 -9.16 C 16.15 -13.36 C 17.38 -11.26 C 17.38 -14.06 C 18.58 -11.96 C 18.58 -13.36 1 22 1 2 23 1 33 3 -2 4 22 2 5 23 2 6 30 2 7 24 1 8 25 1 9 27 1 35 10 -1 11 13 2 11 24 1 12 14 1 12 24 2 13 26 1 14 26 2 15 25 2 15 27 1 16 25 1 16 31 2 17 22 1 36 17 -2 18 23 1 37 18 -2 19 29 1 34 19 -1 20 33 1 20 34 1 21 28 1 21 31 1 26 28 1 27 32 2 28 29 2 29 30 1 30 32 1 31 32 1 33 35 1 34 36 1 35 37 1 36 37 1', '37 40 C:21 22.21 -11.26 C:21 21.00 -16.16 C:18 14.94 -14.06 O 21.00 -13.36 O 18.58 -16.16 O 14.94 -11.26 O 21.00 -4.95 O 10.09 -7.06 O 12.53 -11.26 O 17.38 -15.45 C:117 18.58 -4.95 C:117 19.79 -7.07 C:132 17.38 -5.66 C:132 18.58 -7.76 C:95 11.30 -9.16 C:100 12.53 -7.06 O 19.79 -11.26 O 19.79 -14.06 O 17.38 -9.86 O 16.15 -11.96 O 14.94 -7.06 C:171 21.00 -11.96 C:172 19.79 -15.45 C:162 19.79 -5.66 C:166 11.30 -7.76 C:122 17.38 -7.06 C:159 12.53 -9.86 C:159 16.15 -7.76 C:135 16.15 -9.16 C:179 14.94 -9.86 C:163 13.73 -7.76 C:106 13.73 -9.16 C:71 16.15 -13.36 C:100 17.38 -11.26 C:71 17.38 -14.06 C:72 18.58 -11.96 C:73 18.58 -13.36 1 22 1 2 23 1 33 3 -2 4 22 2 5 23 2 6 30 2 7 24 1 8 25 1 9 27 1 35 10 -1 11 13 2 11 24 1 12 14 1 12 24 2 13 26 1 14 26 2 15 25 2 15 27 1 16 25 1 16 31 2 17 22 1 36 17 -2 18 23 1 37 18 -2 19 29 1 34 19 -1 20 33 1 20 34 1 21 28 1 21 31 1 26 28 1 27 32 2 28 29 2 29 30 1 30 32 1 31 32 1 33 35 1 34 36 1 35 37 1 36 37 1', 'C25H24O12', 516.26, 'M', 'np04_1079_4', 2986, '', '', '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
(11529, 'Kaempferol-3-O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranoside', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:204002][C:204001](=O)O[C@H:204]4[C@H:205]([CH3:206])O[C@@H:201](O[c:3]3[c:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][cH:102]1)o[c:9]2[cH:8][c:7](O)[cH:6][c:5](O)[c:10]2[c:4]3=O)[C@H:202](O[C:202001]([CH3:202002])=O)[C@@H:203]4O[C:203001]([CH3:203002])=O', 'CC(=O)O[C@H]4[C@H](C)O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O', '[CH3:21][C:170](=O)O[C@H:69]4[C@H:68]([CH3:17])O[C@@H:99](O[c:135]3[c:157]([c:122]1[cH:131][cH:116][c:161](O)[cH:116][cH:131]1)o[c:162]2[cH:98][c:163](O)[cH:94][c:158](O)[c:105]2[c:178]3=O)[C@H:69](O[C:171]([CH3:21])=O)[C@@H:71]4O[C:170]([CH3:21])=O', '40 43 C:204002 16.13 -16.89 C:202002 22.18 -10.60 C:203002 20.97 -15.49 C:206 14.92 -13.40 O 14.92 -14.79 O 20.97 -12.71 O 18.54 -15.50 O 14.92 -10.60 O 20.97 -4.28 O 10.05 -6.40 O 12.50 -10.60 C:105 18.54 -4.28 C:103 19.75 -6.40 C:106 17.34 -4.99 C:102 18.54 -7.11 C:6 11.26 -8.51 C:8 12.50 -6.40 O 17.34 -14.79 O 19.75 -10.60 O 19.75 -13.40 O 17.34 -9.21 O 16.13 -11.30 O 14.92 -6.40 C:204001 16.13 -15.49 C:202001 20.97 -11.30 C:203001 19.75 -14.79 C:104 19.75 -4.99 C:7 11.26 -7.11 C:101 17.34 -6.40 C:5 12.50 -9.21 C:2 16.13 -7.11 C:3 16.13 -8.51 C:4 14.92 -9.21 C:9 13.69 -7.11 C:10 13.69 -8.51 C:205 16.13 -12.71 C:201 17.34 -10.60 C:204 17.34 -13.40 C:202 18.54 -11.30 C:203 18.54 -12.71 1 24 1 2 25 1 3 26 1 36 4 -2 5 24 2 6 25 2 7 26 2 8 33 2 9 27 1 10 28 1 11 30 1 12 14 2 12 27 1 13 15 1 13 27 2 14 29 1 15 29 2 16 28 2 16 30 1 17 28 1 17 34 2 18 24 1 38 18 -1 19 25 1 39 19 -2 20 26 1 40 20 -2 21 32 1 37 21 -1 22 36 1 22 37 1 23 31 1 23 34 1 29 31 1 30 35 2 31 32 2 32 33 1 33 35 1 34 35 1 36 38 1 37 39 1 38 40 1 39 40 1', '40 43 C 16.13 -16.89 C 22.18 -10.60 C 20.97 -15.49 C 14.92 -13.40 O 14.92 -14.79 O 20.97 -12.71 O 18.54 -15.50 O 14.92 -10.60 O 20.97 -4.28 O 10.05 -6.40 O 12.50 -10.60 C 18.54 -4.28 C 19.75 -6.40 C 17.34 -4.99 C 18.54 -7.11 C 11.26 -8.51 C 12.50 -6.40 O 17.34 -14.79 O 19.75 -10.60 O 19.75 -13.40 O 17.34 -9.21 O 16.13 -11.30 O 14.92 -6.40 C 16.13 -15.49 C 20.97 -11.30 C 19.75 -14.79 C 19.75 -4.99 C 11.26 -7.11 C 17.34 -6.40 C 12.50 -9.21 C 16.13 -7.11 C 16.13 -8.51 C 14.92 -9.21 C 13.69 -7.11 C 13.69 -8.51 C 16.13 -12.71 C 17.34 -10.60 C 17.34 -13.40 C 18.54 -11.30 C 18.54 -12.71 1 24 1 2 25 1 3 26 1 36 4 -2 5 24 2 6 25 2 7 26 2 8 33 2 9 27 1 10 28 1 11 30 1 12 14 2 12 27 1 13 15 1 13 27 2 14 29 1 15 29 2 16 28 2 16 30 1 17 28 1 17 34 2 18 24 1 38 18 -1 19 25 1 39 19 -2 20 26 1 40 20 -2 21 32 1 37 21 -1 22 36 1 22 37 1 23 31 1 23 34 1 29 31 1 30 35 2 31 32 2 32 33 1 33 35 1 34 35 1 36 38 1 37 39 1 38 40 1 39 40 1', '40 43 C:21 16.13 -16.89 C:21 22.18 -10.60 C:21 20.97 -15.49 C:17 14.92 -13.40 O 14.92 -14.79 O 20.97 -12.71 O 18.54 -15.50 O 14.92 -10.60 O 20.97 -4.28 O 10.05 -6.40 O 12.50 -10.60 C:116 18.54 -4.28 C:116 19.75 -6.40 C:131 17.34 -4.99 C:131 18.54 -7.11 C:94 11.26 -8.51 C:98 12.50 -6.40 O 17.34 -14.79 O 19.75 -10.60 O 19.75 -13.40 O 17.34 -9.21 O 16.13 -11.30 O 14.92 -6.40 C:170 16.13 -15.49 C:171 20.97 -11.30 C:170 19.75 -14.79 C:161 19.75 -4.99 C:163 11.26 -7.11 C:122 17.34 -6.40 C:158 12.50 -9.21 C:157 16.13 -7.11 C:135 16.13 -8.51 C:178 14.92 -9.21 C:162 13.69 -7.11 C:105 13.69 -8.51 C:68 16.13 -12.71 C:99 17.34 -10.60 C:69 17.34 -13.40 C:69 18.54 -11.30 C:71 18.54 -12.71 1 24 1 2 25 1 3 26 1 36 4 -2 5 24 2 6 25 2 7 26 2 8 33 2 9 27 1 10 28 1 11 30 1 12 14 2 12 27 1 13 15 1 13 27 2 14 29 1 15 29 2 16 28 2 16 30 1 17 28 1 17 34 2 18 24 1 38 18 -1 19 25 1 39 19 -2 20 26 1 40 20 -2 21 32 1 37 21 -1 22 36 1 22 37 1 23 31 1 23 34 1 29 31 1 30 35 2 31 32 2 32 33 1 33 35 1 34 35 1 36 38 1 37 39 1 38 40 1 39 40 1', 'C27H26O13', 558.281, 'C', 'np04_1079_5', 2986, '', '', '1', 1, NULL, NULL),
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(11531, '', '(-)-Clovane-2,9-diol', 'Terpenoids', 'Sesquiterpenoids', 'Clovanes', '[H][C@:5]13[CH2:6][CH2:7][C@:8]2([CH3:15])[CH2:12][C@@:1]1([CH2:11][CH2:10][C@@H:9]2O)[C@H:2](O)[CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@]13CC[C@]2(C)C[C@@]1(CC[C@@H]2O)[C@H](O)C[C@]3(C)C', '[H][C@:51]13[CH2:21][CH2:33][C@:35]2([CH3:28])[CH2:36][C@@:44]1([CH2:26][CH2:26][C@@H:75]2O)[C@H:81](O)[CH2:48][C@:37]3([CH3:25])[CH3:32]', '18 20 H 14.97 -12.12 C:13 14.12 -13.05 C:14 12.54 -12.44 C:15 19.72 -11.89 O 19.72 -9.35 O 13.39 -8.16 C:10 17.48 -8.95 C:11 16.11 -8.95 C:7 17.48 -12.26 C:6 16.11 -12.26 C:3 13.01 -10.61 C:12 16.72 -10.98 C:9 18.45 -9.92 C:2 13.82 -9.50 C:4 13.82 -11.74 C:8 18.45 -11.31 C:5 15.13 -11.31 C:1 15.13 -9.92 17 1 -1 15 2 -2 15 3 -1 16 4 -1 13 5 -2 14 6 -1 7 8 1 7 13 1 8 18 1 9 10 1 9 16 1 10 17 1 11 14 1 11 15 1 12 16 1 18 12 -2 13 16 1 14 18 1 15 17 1 17 18 1', '18 20 H 14.97 -12.12 C 14.12 -13.05 C 12.54 -12.44 C 19.72 -11.89 O 19.72 -9.35 O 13.39 -8.16 C 17.48 -8.95 C 16.11 -8.95 C 17.48 -12.26 C 16.11 -12.26 C 13.01 -10.61 C 16.72 -10.98 C 18.45 -9.92 C 13.82 -9.50 C 13.82 -11.74 C 18.45 -11.31 C 15.13 -11.31 C 15.13 -9.92 17 1 -1 15 2 -2 15 3 -1 16 4 -1 13 5 -2 14 6 -1 7 8 1 7 13 1 8 18 1 9 10 1 9 16 1 10 17 1 11 14 1 11 15 1 12 16 1 18 12 -2 13 16 1 14 18 1 15 17 1 17 18 1', '18 20 H 14.97 -12.12 C:25 14.12 -13.05 C:32 12.54 -12.44 C:28 19.72 -11.89 O 19.72 -9.35 O 13.39 -8.16 C:26 17.48 -8.95 C:26 16.11 -8.95 C:33 17.48 -12.26 C:21 16.11 -12.26 C:48 13.01 -10.61 C:36 16.72 -10.98 C:75 18.45 -9.92 C:81 13.82 -9.50 C:37 13.82 -11.74 C:35 18.45 -11.31 C:51 15.13 -11.31 C:44 15.13 -9.92 17 1 -1 15 2 -2 15 3 -1 16 4 -1 13 5 -2 14 6 -1 7 8 1 7 13 1 8 18 1 9 10 1 9 16 1 10 17 1 11 14 1 11 15 1 12 16 1 18 12 -2 13 16 1 14 18 1 15 17 1 17 18 1', 'C15H26O2', 238.167, 'C', 'np96_1084_3', 2988, '', '', '1', 1, NULL, NULL),
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