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
(3904, 'Abrisapogenol D tetraacetate', '3b,22b,24,30-Tetraacetoxyolean-12-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH2:30]O[C:30001]([CH3:30002])=O)[CH2:21][C@@H:22](O[C:22001]([CH3:22002])=O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]([CH3:23])([CH2:24]O[C:24001]([CH3:24002])=O)[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(COC(C)=O)C[C@@H](OC(C)=O)[C@]1(C)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(COC(C)=O)[C@]3([H])CC[C@]45C', '[H][C@@:41]12[CH2:41][C@@:36]([CH3:33])([CH2:70]O[C:9999]([CH3:9999])=O)[CH2:40][C@@H:78](O[C:9999]([CH3:9999])=O)[C@:38]1([CH3:30])[CH2:26][CH2:28][C@:42]5([CH3:26])[C:143]2=[CH:123][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:38][CH2:27][C@H:80](O[C:9999]([CH3:9999])=O)[C@:44]([CH3:24])([CH2:65]O[C:9999]([CH3:9999])=O)[C@:56]3([H])[CH2:19][CH2:34][C@:41]45[CH3:17]', '49 53 H 19.17 -7.39 H 15.51 -9.23 H 14.21 -11.46 C:30 19.60 -2.79 C:28 20.40 -5.38 C:27 17.98 -9.67 C:23 13.70 -12.34 C:25 14.21 -7.52 C:26 16.73 -7.52 O 22.84 -6.84 O 12.84 -13.53 O 10.59 -11.13 C:12 16.72 -6.13 C:24 12.22 -12.29 C:2 11.79 -8.94 C:11 15.48 -6.81 C:1 12.99 -8.21 C:6 15.48 -11.09 C:16 20.40 -8.21 C:15 19.17 -8.94 C:7 16.72 -10.39 C:21 21.64 -4.69 C:19 19.17 -4.69 C:29 21.23 -2.80 C:22 21.64 -6.13 C:13 17.96 -6.81 C:3 11.79 -10.39 C:20 20.40 -3.96 C:18 19.17 -6.13 C:9 15.48 -8.21 C:5 14.21 -10.39 C:17 20.40 -6.81 C:14 17.96 -8.21 C:4 12.99 -11.09 C:10 14.21 -8.94 C:8 16.72 -8.94 C:3001 9.36 -10.47 C:3002 8.17 -11.21 O 9.33 -9.07 C:22001 22.85 -8.24 C:22002 24.06 -8.94 O 21.64 -8.95 C:24001 12.07 -14.70 C:24002 12.69 -15.95 O 10.66 -14.68 O 18.23 -2.54 C:30001 17.75 -1.22 C:30002 16.37 -0.98 O 18.65 -0.15 29 1 -1 30 2 -2 31 3 -2 28 4 -1 32 5 -1 33 6 -2 34 7 -2 35 8 -1 36 9 -1 25 10 -1 11 14 1 27 12 -1 13 16 1 13 26 2 34 14 -1 15 17 1 15 27 1 16 30 1 17 35 1 18 21 1 18 31 1 19 20 1 19 32 1 20 33 1 21 36 1 22 25 1 22 28 1 23 28 1 23 29 1 28 24 -2 25 32 1 26 29 1 26 33 1 27 34 1 29 32 1 30 35 1 30 36 1 31 34 1 31 35 1 33 36 1 12 37 1 37 38 1 37 39 2 10 40 1 40 41 1 40 42 2 11 43 1 43 44 1 43 45 2 4 46 1 46 47 1 47 48 1 47 49 2', '49 53 H 19.17 -7.39 H 15.51 -9.23 H 14.21 -11.46 C 19.60 -2.79 C 20.40 -5.38 C 17.98 -9.67 C 13.70 -12.34 C 14.21 -7.52 C 16.73 -7.52 O 22.84 -6.84 O 12.84 -13.53 O 10.59 -11.13 C 16.72 -6.13 C 12.22 -12.29 C 11.79 -8.94 C 15.48 -6.81 C 12.99 -8.21 C 15.48 -11.09 C 20.40 -8.21 C 19.17 -8.94 C 16.72 -10.39 C 21.64 -4.69 C 19.17 -4.69 C 21.23 -2.80 C 21.64 -6.13 C 17.96 -6.81 C 11.79 -10.39 C 20.40 -3.96 C 19.17 -6.13 C 15.48 -8.21 C 14.21 -10.39 C 20.40 -6.81 C 17.96 -8.21 C 12.99 -11.09 C 14.21 -8.94 C 16.72 -8.94 C 9.36 -10.47 C 8.17 -11.21 O 9.33 -9.07 C 22.85 -8.24 C 24.06 -8.94 O 21.64 -8.95 C 12.07 -14.70 C 12.69 -15.95 O 10.66 -14.68 O 18.23 -2.54 C 17.75 -1.22 C 16.37 -0.98 O 18.65 -0.15 29 1 -1 30 2 -2 31 3 -2 28 4 -1 32 5 -1 33 6 -2 34 7 -2 35 8 -1 36 9 -1 25 10 -1 11 14 1 27 12 -1 13 16 1 13 26 2 34 14 -1 15 17 1 15 27 1 16 30 1 17 35 1 18 21 1 18 31 1 19 20 1 19 32 1 20 33 1 21 36 1 22 25 1 22 28 1 23 28 1 23 29 1 28 24 -2 25 32 1 26 29 1 26 33 1 27 34 1 29 32 1 30 35 1 30 36 1 31 34 1 31 35 1 33 36 1 12 37 1 37 38 1 37 39 2 10 40 1 40 41 1 40 42 2 11 43 1 43 44 1 43 45 2 4 46 1 46 47 1 47 48 1 47 49 2', '49 53 H 19.17 -7.39 H 15.51 -9.23 H 14.21 -11.46 C:70 19.60 -2.79 C:30 20.40 -5.38 C:26 17.98 -9.67 C:24 13.70 -12.34 C:16 14.21 -7.52 C:17 16.73 -7.52 O 22.84 -6.84 O 12.84 -13.53 O 10.59 -11.13 C:123 16.72 -6.13 C:65 12.22 -12.29 C:27 11.79 -8.94 C:24 15.48 -6.81 C:38 12.99 -8.21 C:19 15.48 -11.09 C:26 20.40 -8.21 C:28 19.17 -8.94 C:34 16.72 -10.39 C:40 21.64 -4.69 C:41 19.17 -4.69 C:33 21.23 -2.80 C:78 21.64 -6.13 C:143 17.96 -6.81 C:80 11.79 -10.39 C:36 20.40 -3.96 C:41 19.17 -6.13 C:48 15.48 -8.21 C:56 14.21 -10.39 C:38 20.40 -6.81 C:42 17.96 -8.21 C:44 12.99 -11.09 C:37 14.21 -8.94 C:41 16.72 -8.94 C 9.36 -10.47 C 8.17 -11.21 O 9.33 -9.07 C 22.85 -8.24 C 24.06 -8.94 O 21.64 -8.95 C 12.07 -14.70 C 12.69 -15.95 O 10.66 -14.68 O 18.23 -2.54 C 17.75 -1.22 C 16.37 -0.98 O 18.65 -0.15 29 1 -1 30 2 -2 31 3 -2 28 4 -1 32 5 -1 33 6 -2 34 7 -2 35 8 -1 36 9 -1 25 10 -1 11 14 1 27 12 -1 13 16 1 13 26 2 34 14 -1 15 17 1 15 27 1 16 30 1 17 35 1 18 21 1 18 31 1 19 20 1 19 32 1 20 33 1 21 36 1 22 25 1 22 28 1 23 28 1 23 29 1 28 24 -2 25 32 1 26 29 1 26 33 1 27 34 1 29 32 1 30 35 1 30 36 1 31 34 1 31 35 1 33 36 1 12 37 1 37 38 1 37 39 2 10 40 1 40 41 1 40 42 2 11 43 1 43 44 1 43 45 2 4 46 1 46 47 1 47 48 1 47 49 2', 'C38H58O8', 642.426, 'C', 'A-229', 2192, '', '', '3', 1, NULL, NULL),
(3905, 'Quillaic acid methyl ester diacetate', 'Methyl-3b,16a-Diacetoxyolean-23-on-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:24])([CH:23]=O)[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)OC)[C@H](OC(C)=O)C[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@@](C)(C=O)[C@]3([H])CC[C@]45C', '[H][C@@:40]12[CH2:46][C@@:30]([CH3:33])([CH3:24])[CH2:35][CH2:31][C@:48]1([C:176](=O)O[CH3:9999])[C@H:76](O[C:9999]([CH3:9999])=O)[CH2:32][C@:41]5([CH3:26])[C:142]2=[CH:123][CH2:23][C@:47]4([H])[C@@:36]3([CH3:16])[CH2:38][CH2:23][C@H:73](O[C:9999]([CH3:9999])=O)[C@@:54]([CH3:10])([CH:204]=O)[C@:48]3([H])[CH2:20][CH2:32][C@:40]45[CH3:17]', '45 49 H 19.23 -7.28 H 14.27 -11.35 H 15.56 -9.13 C:30 19.66 -2.68 C:29 21.28 -2.69 C:24 12.27 -12.18 C:23 13.76 -12.23 C:27 18.03 -9.57 C:26 16.78 -7.41 C:25 14.27 -7.41 C:12 16.77 -6.01 C:11 15.53 -6.70 C:21 21.69 -4.57 C:22 21.69 -6.01 C:16 20.46 -8.11 C:6 15.53 -10.98 C:15 19.23 -8.84 C:7 16.77 -10.28 C:2 11.84 -8.84 C:19 19.23 -4.57 C:13 18.01 -6.70 C:3 11.84 -10.28 C:1 13.04 -8.11 C:20 20.46 -3.85 C:4 13.04 -10.98 C:18 19.23 -6.01 C:17 20.46 -6.70 C:5 14.27 -10.28 C:9 15.53 -8.11 C:14 18.01 -8.11 C:8 16.77 -8.84 C:10 14.27 -8.84 O 10.65 -11.03 C:3001 9.43 -10.37 C:3002 8.24 -11.11 C:28 21.66 -7.40 O 20.46 -9.51 C:16001 19.77 -10.72 C:16002 20.47 -11.93 O 18.38 -10.72 O 13.06 -13.45 O 21.66 -8.80 C:28001 22.87 -9.50 O 22.87 -6.69 O 9.40 -8.97 26 1 -1 28 2 -2 29 3 -2 24 4 -1 24 5 -2 25 6 -1 25 7 -2 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 2 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 1 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 22 33 -1 33 34 1 34 35 1 15 37 -2 27 36 -1 37 38 1 38 39 1 38 40 2 7 41 2 36 42 1 42 43 1 36 44 2 34 45 2', '45 49 H 19.23 -7.28 H 14.27 -11.35 H 15.56 -9.13 C 19.66 -2.68 C 21.28 -2.69 C 12.27 -12.18 C 13.76 -12.23 C 18.03 -9.57 C 16.78 -7.41 C 14.27 -7.41 C 16.77 -6.01 C 15.53 -6.70 C 21.69 -4.57 C 21.69 -6.01 C 20.46 -8.11 C 15.53 -10.98 C 19.23 -8.84 C 16.77 -10.28 C 11.84 -8.84 C 19.23 -4.57 C 18.01 -6.70 C 11.84 -10.28 C 13.04 -8.11 C 20.46 -3.85 C 13.04 -10.98 C 19.23 -6.01 C 20.46 -6.70 C 14.27 -10.28 C 15.53 -8.11 C 18.01 -8.11 C 16.77 -8.84 C 14.27 -8.84 O 10.65 -11.03 C 9.43 -10.37 C 8.24 -11.11 C 21.66 -7.40 O 20.46 -9.51 C 19.77 -10.72 C 20.47 -11.93 O 18.38 -10.72 O 13.06 -13.45 O 21.66 -8.80 C 22.87 -9.50 O 22.87 -6.69 O 9.40 -8.97 26 1 -1 28 2 -2 29 3 -2 24 4 -1 24 5 -2 25 6 -1 25 7 -2 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 2 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 1 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 22 33 -1 33 34 1 34 35 1 15 37 -2 27 36 -1 37 38 1 38 39 1 38 40 2 7 41 2 36 42 1 42 43 1 36 44 2 34 45 2', '45 49 H 19.23 -7.28 H 14.27 -11.35 H 15.56 -9.13 C:24 19.66 -2.68 C:33 21.28 -2.69 C:10 12.27 -12.18 C:204 13.76 -12.23 C:26 18.03 -9.57 C:17 16.78 -7.41 C:16 14.27 -7.41 C:123 16.77 -6.01 C:23 15.53 -6.70 C:35 21.69 -4.57 C:31 21.69 -6.01 C:76 20.46 -8.11 C:20 15.53 -10.98 C:32 19.23 -8.84 C:32 16.77 -10.28 C:23 11.84 -8.84 C:46 19.23 -4.57 C:142 18.01 -6.70 C:73 11.84 -10.28 C:38 13.04 -8.11 C:30 20.46 -3.85 C:54 13.04 -10.98 C:40 19.23 -6.01 C:48 20.46 -6.70 C:48 14.27 -10.28 C:47 15.53 -8.11 C:41 18.01 -8.11 C:40 16.77 -8.84 C:36 14.27 -8.84 O 10.65 -11.03 C 9.43 -10.37 C 8.24 -11.11 C:176 21.66 -7.40 O 20.46 -9.51 C 19.77 -10.72 C 20.47 -11.93 O 18.38 -10.72 O 13.06 -13.45 O 21.66 -8.80 C 22.87 -9.50 O 22.87 -6.69 O 9.40 -8.97 26 1 -1 28 2 -2 29 3 -2 24 4 -1 24 5 -2 25 6 -1 25 7 -2 30 8 -2 31 9 -1 32 10 -1 11 12 1 11 21 2 12 29 1 13 14 1 13 24 1 14 27 1 15 17 1 15 27 1 16 18 1 16 28 1 17 30 1 18 31 1 19 22 1 19 23 1 20 24 1 20 26 1 21 26 1 21 30 1 22 25 1 23 32 1 25 28 1 26 27 1 28 32 1 29 31 1 29 32 1 30 31 1 22 33 -1 33 34 1 34 35 1 15 37 -2 27 36 -1 37 38 1 38 39 1 38 40 2 7 41 2 36 42 1 42 43 1 36 44 2 34 45 2', 'C35H52O7', 584.394, 'C', 'A-230', 2285, '', '', '3', 1, NULL, NULL),
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(3915, '', '3b,22b,24,29-Tetrahydroxyolean-12-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH2:29]O)[CH2:21][C@@H:22](O)[C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:23])([CH2:24]O)[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12C[C@](C)(CO)C[C@@H](O)[C@]1(C)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@]45C', '[H][C@@:45]12[CH2:42][C@:37]([CH3:24])([CH2:73]O)[CH2:37][C@@H:76](O)[C@:38]1([CH3:21])[CH2:29][CH2:26][C@:42]5([CH3:26])[C:145]2=[CH:122][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:28][C@H:80](O)[C@:43]([CH3:24])([CH2:65]O)[C@:56]3([H])[CH2:19][CH2:34][C@:40]45[CH3:17]', '37 41 H 18.60 -7.21 H 13.63 -11.28 H 14.93 -9.06 C:30 19.03 -2.62 C:29 20.65 -2.63 C:24 11.64 -12.11 C:23 13.13 -12.16 C:28 19.83 -5.20 C:27 17.39 -9.50 C:26 16.15 -7.34 C:25 13.63 -7.34 C:12 16.14 -5.95 C:11 14.90 -6.64 C:21 21.06 -4.51 C:22 21.06 -5.95 C:16 19.83 -8.04 C:6 14.90 -10.91 C:15 18.60 -8.77 C:7 16.14 -10.21 C:2 11.21 -8.77 C:19 18.60 -4.51 C:13 17.37 -6.64 C:3 11.21 -10.21 C:1 12.41 -8.04 C:20 19.83 -3.78 C:4 12.41 -10.91 C:18 18.60 -5.95 C:17 19.83 -6.64 C:5 13.63 -10.21 C:9 14.90 -8.04 C:14 17.37 -8.04 C:8 16.14 -8.77 C:10 13.63 -8.77 O 10.03 -10.96 O 22.26 -6.68 O 11.67 -13.50 O 22.05 -2.77 27 1 -1 29 2 -2 30 3 -2 25 4 -1 25 5 -2 26 6 -1 26 7 -2 28 8 -1 31 9 -2 32 10 -1 33 11 -1 12 13 1 12 22 2 13 30 1 14 15 1 14 25 1 15 28 1 16 18 1 16 28 1 17 19 1 17 29 1 18 31 1 19 32 1 20 23 1 20 24 1 21 25 1 21 27 1 22 27 1 22 31 1 23 26 1 24 33 1 26 29 1 27 28 1 29 33 1 30 32 1 30 33 1 31 32 1 23 34 -1 15 35 -1 6 36 1 5 37 1', '37 41 H 18.60 -7.21 H 13.63 -11.28 H 14.93 -9.06 C 19.03 -2.62 C 20.65 -2.63 C 11.64 -12.11 C 13.13 -12.16 C 19.83 -5.20 C 17.39 -9.50 C 16.15 -7.34 C 13.63 -7.34 C 16.14 -5.95 C 14.90 -6.64 C 21.06 -4.51 C 21.06 -5.95 C 19.83 -8.04 C 14.90 -10.91 C 18.60 -8.77 C 16.14 -10.21 C 11.21 -8.77 C 18.60 -4.51 C 17.37 -6.64 C 11.21 -10.21 C 12.41 -8.04 C 19.83 -3.78 C 12.41 -10.91 C 18.60 -5.95 C 19.83 -6.64 C 13.63 -10.21 C 14.90 -8.04 C 17.37 -8.04 C 16.14 -8.77 C 13.63 -8.77 O 10.03 -10.96 O 22.26 -6.68 O 11.67 -13.50 O 22.05 -2.77 27 1 -1 29 2 -2 30 3 -2 25 4 -1 25 5 -2 26 6 -1 26 7 -2 28 8 -1 31 9 -2 32 10 -1 33 11 -1 12 13 1 12 22 2 13 30 1 14 15 1 14 25 1 15 28 1 16 18 1 16 28 1 17 19 1 17 29 1 18 31 1 19 32 1 20 23 1 20 24 1 21 25 1 21 27 1 22 27 1 22 31 1 23 26 1 24 33 1 26 29 1 27 28 1 29 33 1 30 32 1 30 33 1 31 32 1 23 34 -1 15 35 -1 6 36 1 5 37 1', '37 41 H 18.60 -7.21 H 13.63 -11.28 H 14.93 -9.06 C:24 19.03 -2.62 C:73 20.65 -2.63 C:65 11.64 -12.11 C:24 13.13 -12.16 C:21 19.83 -5.20 C:26 17.39 -9.50 C:17 16.15 -7.34 C:16 13.63 -7.34 C:122 16.14 -5.95 C:24 14.90 -6.64 C:37 21.06 -4.51 C:76 21.06 -5.95 C:29 19.83 -8.04 C:19 14.90 -10.91 C:26 18.60 -8.77 C:34 16.14 -10.21 C:28 11.21 -8.77 C:42 18.60 -4.51 C:145 17.37 -6.64 C:80 11.21 -10.21 C:39 12.41 -8.04 C:37 19.83 -3.78 C:43 12.41 -10.91 C:45 18.60 -5.95 C:38 19.83 -6.64 C:56 13.63 -10.21 C:48 14.90 -8.04 C:42 17.37 -8.04 C:40 16.14 -8.77 C:37 13.63 -8.77 O 10.03 -10.96 O 22.26 -6.68 O 11.67 -13.50 O 22.05 -2.77 27 1 -1 29 2 -2 30 3 -2 25 4 -1 25 5 -2 26 6 -1 26 7 -2 28 8 -1 31 9 -2 32 10 -1 33 11 -1 12 13 1 12 22 2 13 30 1 14 15 1 14 25 1 15 28 1 16 18 1 16 28 1 17 19 1 17 29 1 18 31 1 19 32 1 20 23 1 20 24 1 21 25 1 21 27 1 22 27 1 22 31 1 23 26 1 24 33 1 26 29 1 27 28 1 29 33 1 30 32 1 30 33 1 31 32 1 23 34 -1 15 35 -1 6 36 1 5 37 1', 'C30H50O4', 474.342, 'P', 'A-243', 2126, 'Igual a 1558.78', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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'[H][C@@:42]12[CH2:47][C@@:35]([CH3:29])([CH3:20])[C@@H:78](O[C:9999](=O)[CH:9999]=[CH:9999][CH3:9999])[C@H:75](O[C:9999](=O)[CH:9999]=[CH:9999][CH3:9999])[C@:47]1([CH2:68]O[C:9999]([CH3:9999])=O)[CH2:69][C@H:72](O[C:9999]([CH3:9999])=O)[C@:47]5([CH3:21])[C:142]2=[CH:127][CH2:24][C@:47]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:24][C@H:81](O[C:9999]([CH3:9999])=O)[C@@:38]([CH3:28])([CH3:17])[C@:55]3([H])[CH2:19][CH2:36][C@:42]45[CH3:18]', '57 61 H 16.82 -12.26 H 13.15 -14.11 H 11.83 -16.34 C:21004 22.94 -4.66 C:22004 25.35 -11.77 C:28002 20.48 -15.86 C:3002 5.84 -16.09 C:15002 16.94 -17.64 C:29 18.89 -7.70 C:30 17.25 -7.69 C:24 9.85 -17.14 C:23 11.32 -17.19 C:25 11.83 -12.39 C:26 14.37 -12.39 C:27 15.62 -14.55 O 21.69 -13.76 O 7.02 -13.95 O 14.78 -16.46 O 19.29 -6.77 O 21.73 -9.62 C:21003 21.73 -5.36 C:22003 24.15 -11.05 C:21002 21.73 -6.78 C:22002 22.93 -11.73 C:12 14.36 -10.99 C:11 13.12 -11.68 C:2 9.42 -13.81 C:1 10.61 -13.08 C:6 13.12 -15.97 C:7 14.36 -15.27 C:28 19.27 -12.36 C:16 18.05 -13.08 C:19 16.82 -9.56 O 19.27 -13.76 O 8.23 -16.01 O 16.82 -15.22 O 20.53 -8.86 O 20.51 -11.71 C:28001 20.48 -14.46 C:3001 7.02 -15.35 C:15001 16.18 -16.46 C:21001 20.53 -7.48 C:22001 21.73 -11.02 C:13 15.60 -11.68 C:3 9.42 -15.27 C:15 16.82 -13.81 C:21 19.30 -9.56 C:22 19.30 -10.99 C:20 18.05 -8.83 C:4 10.61 -15.97 C:18 16.82 -10.99 C:9 13.12 -13.08 C:5 11.83 -15.27 C:10 11.83 -13.81 C:8 14.36 -13.81 C:14 15.60 -13.08 C:17 18.05 -11.68 51 1 -1 52 2 -2 53 3 -2 4 21 1 5 22 1 6 39 1 7 40 1 8 41 1 49 9 -2 49 10 -1 50 11 -1 50 12 -2 54 13 -1 55 14 -1 56 15 -2 16 39 2 17 40 2 18 41 2 19 42 2 20 43 2 21 23 2 22 24 2 23 42 1 24 43 1 25 26 1 25 44 2 26 52 1 27 28 1 27 45 1 28 54 1 29 30 1 29 53 1 30 55 1 31 34 1 57 31 -1 32 46 1 32 57 1 33 49 1 33 51 1 34 39 1 35 40 1 45 35 -1 36 41 1 46 36 -2 37 42 1 47 37 -1 38 43 1 48 38 -2 44 51 1 44 56 1 45 50 1 46 56 1 47 48 1 47 49 1 48 57 1 50 53 1 51 57 1 52 54 1 52 55 1 53 54 1 55 56 1', '57 61 H 16.82 -12.26 H 13.15 -14.11 H 11.83 -16.34 C 22.94 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27 28 1 27 45 1 28 54 1 29 30 1 29 53 1 30 55 1 31 34 1 57 31 -1 32 46 1 32 57 1 33 49 1 33 51 1 34 39 1 35 40 1 45 35 -1 36 41 1 46 36 -2 37 42 1 47 37 -1 38 43 1 48 38 -2 44 51 1 44 56 1 45 50 1 46 56 1 47 48 1 47 49 1 48 57 1 50 53 1 51 57 1 52 54 1 52 55 1 53 54 1 55 56 1', '57 61 H 16.82 -12.26 H 13.15 -14.11 H 11.83 -16.34 C 22.94 -4.66 C 25.35 -11.77 C 20.48 -15.86 C 5.84 -16.09 C 16.94 -17.64 C:29 18.89 -7.70 C:20 17.25 -7.69 C:28 9.85 -17.14 C:17 11.32 -17.19 C:16 11.83 -12.39 C:18 14.37 -12.39 C:21 15.62 -14.55 O 21.69 -13.76 O 7.02 -13.95 O 14.78 -16.46 O 19.29 -6.77 O 21.73 -9.62 C 21.73 -5.36 C 24.15 -11.05 C 21.73 -6.78 C 22.93 -11.73 C:127 14.36 -10.99 C:24 13.12 -11.68 C:24 9.42 -13.81 C:39 10.61 -13.08 C:19 13.12 -15.97 C:36 14.36 -15.27 C:68 19.27 -12.36 C:69 18.05 -13.08 C:47 16.82 -9.56 O 19.27 -13.76 O 8.23 -16.01 O 16.82 -15.22 O 20.53 -8.86 O 20.51 -11.71 C 20.48 -14.46 C 7.02 -15.35 C 16.18 -16.46 C 20.53 -7.48 C 21.73 -11.02 C:142 15.60 -11.68 C:81 9.42 -15.27 C:72 16.82 -13.81 C:78 19.30 -9.56 C:75 19.30 -10.99 C:35 18.05 -8.83 C:38 10.61 -15.97 C:42 16.82 -10.99 C:47 13.12 -13.08 C:55 11.83 -15.27 C:37 11.83 -13.81 C:42 14.36 -13.81 C:47 15.60 -13.08 C:47 18.05 -11.68 51 1 -1 52 2 -2 53 3 -2 4 21 1 5 22 1 6 39 1 7 40 1 8 41 1 49 9 -2 49 10 -1 50 11 -1 50 12 -2 54 13 -1 55 14 -1 56 15 -2 16 39 2 17 40 2 18 41 2 19 42 2 20 43 2 21 23 2 22 24 2 23 42 1 24 43 1 25 26 1 25 44 2 26 52 1 27 28 1 27 45 1 28 54 1 29 30 1 29 53 1 30 55 1 31 34 1 57 31 -1 32 46 1 32 57 1 33 49 1 33 51 1 34 39 1 35 40 1 45 35 -1 36 41 1 46 36 -2 37 42 1 47 37 -1 38 43 1 48 38 -2 44 51 1 44 56 1 45 50 1 46 56 1 47 48 1 47 49 1 48 57 1 50 53 1 51 57 1 52 54 1 52 55 1 53 54 1 55 56 1', 'C44H64O10', 752.489, 'P', 'A-273', 360, '', '', '3', 1, NULL, NULL),
(3937, 'Platycodigenin', '2b,3b,16a,23,24-Pentahydroxyolean-12-en-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[C@H:16](O)[CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]4([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@:5]5([H])[C@:10]4([CH3:25])[CH2:1][C@H:2](O)[C@H:3](O)[C@:4]5([CH2:23]O)[CH2:24]O', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)O)[C@H](O)C[C@]3(C)C2=CC[C@@]4([H])[C@@]3(C)CC[C@]5([H])[C@]4(C)C[C@H](O)[C@H](O)[C@]5(CO)CO', '[H][C@@:41]12[CH2:46][C@:30]([CH3:24])([CH3:33])[CH2:35][CH2:31][C@:48]1([C:176](=O)O)[C@H:76](O)[CH2:32][C@:40]3([CH3:26])[C:142]2=[CH:123][CH2:24][C@@:48]4([H])[C@@:40]3([CH3:17])[CH2:34][CH2:19][C@:48]5([H])[C@:37]4([CH3:16])[CH2:42][C@H:69](O)[C@H:72](O)[C@:44]5([CH2:63]O)[CH2:64]O', '40 44 H 18.05 -10.36 H 14.38 -12.21 H 13.08 -14.44 C:30 18.48 -5.77 C:29 20.10 -5.78 C:27 16.85 -12.65 C:26 15.60 -10.49 C:25 13.08 -10.49 O 20.51 -11.86 O 11.87 -16.52 O 9.68 -15.26 O 21.69 -9.74 O 9.45 -11.20 O 19.63 -12.54 O 9.46 -14.11 C:12 15.59 -9.09 C:23 12.57 -15.31 C:24 11.08 -15.26 C:11 14.35 -9.78 C:21 20.51 -7.66 C:6 14.35 -14.07 C:7 15.59 -13.37 C:22 20.51 -9.09 C:1 11.85 -11.19 C:15 18.05 -11.92 C:19 18.05 -7.66 C:28 20.51 -10.46 C:13 16.83 -9.78 C:2 10.65 -11.92 C:16 19.27 -11.19 C:3 10.65 -13.37 C:20 19.27 -6.93 C:18 18.05 -9.09 C:9 14.35 -11.19 C:5 13.08 -13.37 C:14 16.83 -11.19 C:8 15.59 -11.92 C:10 13.08 -11.92 C:4 11.85 -14.07 C:17 19.27 -9.78 33 1 -1 34 2 -2 35 3 -2 32 4 -1 32 5 -2 36 6 -2 37 7 -1 38 8 -1 9 27 2 10 17 1 11 18 1 12 27 1 29 13 -1 30 14 -2 31 15 -1 16 19 1 16 28 2 39 17 -2 39 18 -1 19 34 1 20 23 1 20 32 1 21 22 1 21 35 1 22 37 1 23 40 1 24 29 1 24 38 1 25 30 1 25 36 1 26 32 1 26 33 1 40 27 -1 28 33 1 28 36 1 29 31 1 30 40 1 31 39 1 33 40 1 34 37 1 34 38 1 35 38 1 35 39 1 36 37 1', '40 44 H 18.05 -10.36 H 14.38 -12.21 H 13.08 -14.44 C 18.48 -5.77 C 20.10 -5.78 C 16.85 -12.65 C 15.60 -10.49 C 13.08 -10.49 O 20.51 -11.86 O 11.87 -16.52 O 9.68 -15.26 O 21.69 -9.74 O 9.45 -11.20 O 19.63 -12.54 O 9.46 -14.11 C 15.59 -9.09 C 12.57 -15.31 C 11.08 -15.26 C 14.35 -9.78 C 20.51 -7.66 C 14.35 -14.07 C 15.59 -13.37 C 20.51 -9.09 C 11.85 -11.19 C 18.05 -11.92 C 18.05 -7.66 C 20.51 -10.46 C 16.83 -9.78 C 10.65 -11.92 C 19.27 -11.19 C 10.65 -13.37 C 19.27 -6.93 C 18.05 -9.09 C 14.35 -11.19 C 13.08 -13.37 C 16.83 -11.19 C 15.59 -11.92 C 13.08 -11.92 C 11.85 -14.07 C 19.27 -9.78 33 1 -1 34 2 -2 35 3 -2 32 4 -1 32 5 -2 36 6 -2 37 7 -1 38 8 -1 9 27 2 10 17 1 11 18 1 12 27 1 29 13 -1 30 14 -2 31 15 -1 16 19 1 16 28 2 39 17 -2 39 18 -1 19 34 1 20 23 1 20 32 1 21 22 1 21 35 1 22 37 1 23 40 1 24 29 1 24 38 1 25 30 1 25 36 1 26 32 1 26 33 1 40 27 -1 28 33 1 28 36 1 29 31 1 30 40 1 31 39 1 33 40 1 34 37 1 34 38 1 35 38 1 35 39 1 36 37 1', '40 44 H 18.05 -10.36 H 14.38 -12.21 H 13.08 -14.44 C:24 18.48 -5.77 C:33 20.10 -5.78 C:26 16.85 -12.65 C:17 15.60 -10.49 C:16 13.08 -10.49 O 20.51 -11.86 O 11.87 -16.52 O 9.68 -15.26 O 21.69 -9.74 O 9.45 -11.20 O 19.63 -12.54 O 9.46 -14.11 C:123 15.59 -9.09 C:63 12.57 -15.31 C:64 11.08 -15.26 C:24 14.35 -9.78 C:35 20.51 -7.66 C:19 14.35 -14.07 C:34 15.59 -13.37 C:31 20.51 -9.09 C:42 11.85 -11.19 C:32 18.05 -11.92 C:46 18.05 -7.66 C:176 20.51 -10.46 C:142 16.83 -9.78 C:69 10.65 -11.92 C:76 19.27 -11.19 C:72 10.65 -13.37 C:30 19.27 -6.93 C:41 18.05 -9.09 C:48 14.35 -11.19 C:48 13.08 -13.37 C:40 16.83 -11.19 C:40 15.59 -11.92 C:37 13.08 -11.92 C:44 11.85 -14.07 C:48 19.27 -9.78 33 1 -1 34 2 -2 35 3 -2 32 4 -1 32 5 -2 36 6 -2 37 7 -1 38 8 -1 9 27 2 10 17 1 11 18 1 12 27 1 29 13 -1 30 14 -2 31 15 -1 16 19 1 16 28 2 39 17 -2 39 18 -1 19 34 1 20 23 1 20 32 1 21 22 1 21 35 1 22 37 1 23 40 1 24 29 1 24 38 1 25 30 1 25 36 1 26 32 1 26 33 1 40 27 -1 28 33 1 28 36 1 29 31 1 30 40 1 31 39 1 33 40 1 34 37 1 34 38 1 35 38 1 35 39 1 36 37 1', 'C30H48O7', 520.341, 'C', 'A-274', 29, '', '', '3', 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
(3938, 'Platycodigenin methyl ester', 'Methyl-2b,3b,16a,23,24-pentahydroxyolean-12-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[C@H:16](O)[CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]4([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@:5]5([H])[C@:10]4([CH3:25])[CH2:1][C@H:2](O)[C@H:3](O)[C@@:4]5([CH2:24]O)[CH2:23]O', '[H][C@@]12C[C@](C)(C)CC[C@]1(C(=O)OC)[C@H](O)C[C@]3(C)C2=CC[C@@]4([H])[C@@]3(C)CC[C@]5([H])[C@]4(C)C[C@H](O)[C@H](O)[C@@]5(CO)CO', '[H][C@@:41]12[CH2:47][C@:31]([CH3:25])([CH3:33])[CH2:36][CH2:32][C@:49]1([C:178](=O)O[CH3:9999])[C@H:74](O)[CH2:36][C@:42]3([CH3:27])[C:144]2=[CH:123][CH2:24][C@@:48]4([H])[C@@:40]3([CH3:17])[CH2:34][CH2:19][C@:49]5([H])[C@:37]4([CH3:17])[CH2:45][C@H:72](O)[C@H:75](O)[C@@:47]5([CH2:65]O)[CH2:64]O', '41 45 H 17.50 -7.28 H 13.83 -9.13 H 12.53 -11.35 C:28001 22.26 -8.07 C:29 19.56 -2.69 C:30 17.93 -2.68 C:27 16.29 -9.57 C:26 15.04 -7.41 C:25 12.53 -7.41 O 20.80 -6.28 O 11.33 -13.43 O 9.14 -12.12 O 8.91 -8.12 O 19.95 -8.79 O 8.92 -11.03 C:12 15.03 -6.01 C:23 12.03 -12.23 C:24 10.54 -12.18 C:11 13.80 -6.70 C:21 19.97 -4.58 C:6 13.80 -10.99 C:7 15.03 -10.29 C:22 19.97 -6.01 C:15 17.50 -8.84 C:1 11.31 -8.11 C:19 17.50 -4.58 O 20.90 -8.40 C:28 19.95 -7.39 C:13 16.27 -6.70 C:2 10.11 -8.84 C:16 18.73 -8.11 C:3 10.11 -10.29 C:20 18.73 -3.85 C:18 17.50 -6.01 C:14 16.27 -8.11 C:9 13.80 -8.11 C:5 12.53 -10.29 C:8 15.03 -8.84 C:10 12.53 -8.84 C:4 11.31 -10.99 C:17 18.73 -6.70 34 1 -1 36 2 -2 37 3 -2 4 27 1 33 5 -2 33 6 -1 35 7 -2 38 8 -1 39 9 -1 10 28 2 11 17 1 12 18 1 30 13 -1 31 14 -2 32 15 -1 16 19 1 16 29 2 40 17 -2 40 18 -1 19 36 1 20 23 1 20 33 1 21 22 1 21 37 1 22 38 1 23 41 1 24 31 1 24 35 1 25 30 1 25 39 1 26 33 1 26 34 1 27 28 1 41 28 -1 29 34 1 29 35 1 30 32 1 31 41 1 32 40 1 34 41 1 35 38 1 36 38 1 36 39 1 37 39 1 37 40 1', '41 45 H 17.50 -7.28 H 13.83 -9.13 H 12.53 -11.35 C 22.26 -8.07 C 19.56 -2.69 C 17.93 -2.68 C 16.29 -9.57 C 15.04 -7.41 C 12.53 -7.41 O 20.80 -6.28 O 11.33 -13.43 O 9.14 -12.12 O 8.91 -8.12 O 19.95 -8.79 O 8.92 -11.03 C 15.03 -6.01 C 12.03 -12.23 C 10.54 -12.18 C 13.80 -6.70 C 19.97 -4.58 C 13.80 -10.99 C 15.03 -10.29 C 19.97 -6.01 C 17.50 -8.84 C 11.31 -8.11 C 17.50 -4.58 O 20.90 -8.40 C 19.95 -7.39 C 16.27 -6.70 C 10.11 -8.84 C 18.73 -8.11 C 10.11 -10.29 C 18.73 -3.85 C 17.50 -6.01 C 16.27 -8.11 C 13.80 -8.11 C 12.53 -10.29 C 15.03 -8.84 C 12.53 -8.84 C 11.31 -10.99 C 18.73 -6.70 34 1 -1 36 2 -2 37 3 -2 4 27 1 33 5 -2 33 6 -1 35 7 -2 38 8 -1 39 9 -1 10 28 2 11 17 1 12 18 1 30 13 -1 31 14 -2 32 15 -1 16 19 1 16 29 2 40 17 -2 40 18 -1 19 36 1 20 23 1 20 33 1 21 22 1 21 37 1 22 38 1 23 41 1 24 31 1 24 35 1 25 30 1 25 39 1 26 33 1 26 34 1 27 28 1 41 28 -1 29 34 1 29 35 1 30 32 1 31 41 1 32 40 1 34 41 1 35 38 1 36 38 1 36 39 1 37 39 1 37 40 1', '41 45 H 17.50 -7.28 H 13.83 -9.13 H 12.53 -11.35 C 22.26 -8.07 C:33 19.56 -2.69 C:25 17.93 -2.68 C:27 16.29 -9.57 C:17 15.04 -7.41 C:17 12.53 -7.41 O 20.80 -6.28 O 11.33 -13.43 O 9.14 -12.12 O 8.91 -8.12 O 19.95 -8.79 O 8.92 -11.03 C:123 15.03 -6.01 C:64 12.03 -12.23 C:65 10.54 -12.18 C:24 13.80 -6.70 C:36 19.97 -4.58 C:19 13.80 -10.99 C:34 15.03 -10.29 C:32 19.97 -6.01 C:36 17.50 -8.84 C:45 11.31 -8.11 C:47 17.50 -4.58 O 20.90 -8.40 C:178 19.95 -7.39 C:144 16.27 -6.70 C:72 10.11 -8.84 C:74 18.73 -8.11 C:75 10.11 -10.29 C:31 18.73 -3.85 C:41 17.50 -6.01 C:42 16.27 -8.11 C:48 13.80 -8.11 C:49 12.53 -10.29 C:40 15.03 -8.84 C:37 12.53 -8.84 C:47 11.31 -10.99 C:49 18.73 -6.70 34 1 -1 36 2 -2 37 3 -2 4 27 1 33 5 -2 33 6 -1 35 7 -2 38 8 -1 39 9 -1 10 28 2 11 17 1 12 18 1 30 13 -1 31 14 -2 32 15 -1 16 19 1 16 29 2 40 17 -2 40 18 -1 19 36 1 20 23 1 20 33 1 21 22 1 21 37 1 22 38 1 23 41 1 24 31 1 24 35 1 25 30 1 25 39 1 26 33 1 26 34 1 27 28 1 41 28 -1 29 34 1 29 35 1 30 32 1 31 41 1 32 40 1 34 41 1 35 38 1 36 38 1 36 39 1 37 39 1 37 40 1', 'C31H50O7', 534.351, 'P', 'A-275', 967, '', '', '3', 1, NULL, NULL),
(3939, 'Platycodigenin methyl ester pentaacetate', 'Methyl-2b,3b,16a,23,24-pentaacetoxyolean-12-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]4([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@:5]5([H])[C@:10]4([CH3:25])[CH2:1][C@H:2](O[C:2001]([CH3:2002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]5([CH2:23]O[C:23001]([CH3:23002])=O)[CH2:24]O[C:24001]([CH3:24002])=O', '[H][C@@]12C[C@@](C)(C)CC[C@]1(C(=O)OC)[C@H](OC(C)=O)C[C@]3(C)C2=CC[C@@]4([H])[C@@]3(C)CC[C@]5([H])[C@]4(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]5(COC(C)=O)COC(C)=O', '[H][C@@:40]12[CH2:46][C@@:30]([CH3:33])([CH3:24])[CH2:35][CH2:31][C@:48]1([C:176](=O)O[CH3:9999])[C@H:76](O[C:9999]([CH3:9999])=O)[CH2:32][C@:41]3([CH3:26])[C:142]2=[CH:123][CH2:24][C@@:48]4([H])[C@@:40]3([CH3:17])[CH2:33][CH2:19][C@:48]5([H])[C@:37]4([CH3:16])[CH2:42][C@H:69](O[C:9999]([CH3:9999])=O)[C@H:72](O[C:9999]([CH3:9999])=O)[C@:44]5([CH2:63]O[C:9999]([CH3:9999])=O)[CH2:64]O[C:9999]([CH3:9999])=O', '56 60 H 18.68 -6.05 H 15.01 -7.90 H 13.71 -10.12 C:28001 23.44 -6.84 C:30 19.11 -1.45 C:29 20.74 -1.46 C:27 17.47 -8.34 C:26 16.22 -6.18 C:25 13.71 -6.18 O 21.98 -5.05 O 10.32 -10.89 O 12.51 -12.20 O 10.09 -6.89 O 21.13 -7.56 O 10.10 -9.80 C:12 16.21 -4.78 C:24 11.72 -10.95 C:23 13.21 -11.00 C:11 14.98 -5.47 C:21 21.15 -3.35 C:6 14.98 -9.76 C:7 16.21 -9.06 C:22 21.15 -4.78 C:15 18.68 -7.61 C:1 12.49 -6.88 C:19 18.68 -3.35 O 22.08 -7.17 C:28 21.13 -6.16 C:13 17.45 -5.47 C:2 11.29 -7.61 C:16 19.91 -6.88 C:3 11.29 -9.06 C:20 19.91 -2.62 C:18 18.68 -4.78 C:14 17.45 -6.88 C:9 14.98 -6.88 C:5 13.71 -9.06 C:8 16.21 -7.61 C:10 13.71 -7.61 C:4 12.49 -9.76 C:17 19.91 -5.47 C:2001 10.11 -5.49 C:2002 8.91 -4.77 O 11.33 -4.81 C:3001 8.86 -9.14 C:3002 7.67 -9.87 O 8.83 -7.74 C:16001 21.10 -8.96 C:16002 22.30 -9.68 O 19.88 -9.63 C:24001 9.56 -12.07 C:24002 8.17 -12.01 O 10.21 -13.31 C:23001 13.20 -13.42 C:23002 12.50 -14.63 O 14.60 -13.42 34 1 -1 36 2 -2 37 3 -2 4 27 1 33 5 -1 33 6 -2 35 7 -2 38 8 -1 39 9 -1 10 28 2 11 17 1 12 18 1 30 13 -1 31 14 -2 32 15 -1 16 19 1 16 29 2 40 17 -1 40 18 -2 19 36 1 20 23 1 20 33 1 21 22 1 21 37 1 22 38 1 23 41 1 24 31 1 24 35 1 25 30 1 25 39 1 26 33 1 26 34 1 27 28 1 41 28 -1 29 34 1 29 35 1 30 32 1 31 41 1 32 40 1 34 41 1 35 38 1 36 38 1 36 39 1 37 39 1 37 40 1 13 42 1 42 43 1 42 44 2 15 45 1 45 46 1 45 47 2 14 48 1 48 49 1 48 50 2 11 51 1 51 52 1 51 53 2 12 54 1 54 55 1 54 56 2', '56 60 H 18.68 -6.05 H 15.01 -7.90 H 13.71 -10.12 C 23.44 -6.84 C 19.11 -1.45 C 20.74 -1.46 C 17.47 -8.34 C 16.22 -6.18 C 13.71 -6.18 O 21.98 -5.05 O 10.32 -10.89 O 12.51 -12.20 O 10.09 -6.89 O 21.13 -7.56 O 10.10 -9.80 C 16.21 -4.78 C 11.72 -10.95 C 13.21 -11.00 C 14.98 -5.47 C 21.15 -3.35 C 14.98 -9.76 C 16.21 -9.06 C 21.15 -4.78 C 18.68 -7.61 C 12.49 -6.88 C 18.68 -3.35 O 22.08 -7.17 C 21.13 -6.16 C 17.45 -5.47 C 11.29 -7.61 C 19.91 -6.88 C 11.29 -9.06 C 19.91 -2.62 C 18.68 -4.78 C 17.45 -6.88 C 14.98 -6.88 C 13.71 -9.06 C 16.21 -7.61 C 13.71 -7.61 C 12.49 -9.76 C 19.91 -5.47 C 10.11 -5.49 C 8.91 -4.77 O 11.33 -4.81 C 8.86 -9.14 C 7.67 -9.87 O 8.83 -7.74 C 21.10 -8.96 C 22.30 -9.68 O 19.88 -9.63 C 9.56 -12.07 C 8.17 -12.01 O 10.21 -13.31 C 13.20 -13.42 C 12.50 -14.63 O 14.60 -13.42 34 1 -1 36 2 -2 37 3 -2 4 27 1 33 5 -1 33 6 -2 35 7 -2 38 8 -1 39 9 -1 10 28 2 11 17 1 12 18 1 30 13 -1 31 14 -2 32 15 -1 16 19 1 16 29 2 40 17 -1 40 18 -2 19 36 1 20 23 1 20 33 1 21 22 1 21 37 1 22 38 1 23 41 1 24 31 1 24 35 1 25 30 1 25 39 1 26 33 1 26 34 1 27 28 1 41 28 -1 29 34 1 29 35 1 30 32 1 31 41 1 32 40 1 34 41 1 35 38 1 36 38 1 36 39 1 37 39 1 37 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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
(3949, '', '3b,16a-Diacetoxyolean-(2813)-olide', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]14O[C:28](=O)[C@@:17]2([CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[CH2:19][C@@:18]12[H])[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]14OC(=O)[C@@]2(CC[C@@](C)(C)C[C@@]12[H])[C@H](OC(C)=O)C[C@@]34C)[C@@]5(C)CC[C@H](OC(C)=O)[C@@]6(C)C', '[H][C@@:55]56[CH2:18][CH2:32][C@:41]3([CH3:9999])[C@:49]([H])([CH2:23][CH2:17][C@:90]14O[C:177](=O)[C@@:51]2([CH2:36][CH2:35][C@@:29]([CH3:22])([CH3:33])[CH2:34][C@@:39]12[H])[C@H:72](O[C:9999]([CH3:9999])=O)[CH2:27][C@@:43]34[CH3:21])[C@@:37]5([CH3:16])[CH2:39][CH2:23][C@H:81](O[C:9999]([CH3:9999])=O)[C@@:38]6([CH3:16])[CH3:28]', '43 48 H 14.29 -15.05 H 15.57 -12.81 H 19.25 -10.96 C:3002 8.23 -14.78 C:16002 22.90 -14.59 C:30 19.68 -6.35 C:29 21.30 -6.36 C:24 12.27 -15.87 C:23 13.77 -15.92 C:25 14.29 -11.09 C:26 16.78 -11.09 C:27 18.03 -13.25 O 9.42 -12.64 O 20.48 -14.61 O 20.86 -8.35 C:2 11.84 -12.53 C:21 21.71 -8.27 C:1 13.05 -11.80 C:6 15.54 -14.69 C:11 15.54 -10.37 C:7 16.79 -13.98 C:12 16.79 -9.68 C:22 21.71 -9.68 C:15 19.25 -12.53 C:19 19.25 -8.27 O 10.65 -14.71 O 21.69 -12.50 O 18.43 -9.04 C:3001 9.42 -14.04 C:16001 21.69 -13.90 C:28 20.07 -9.04 C:3 11.84 -13.98 C:16 20.47 -11.80 C:20 20.47 -7.54 C:4 13.05 -14.69 C:5 14.29 -13.98 C:9 15.54 -11.80 C:18 19.25 -9.68 C:10 14.29 -12.53 C:8 16.79 -12.53 C:14 18.01 -11.80 C:13 18.01 -10.37 C:17 20.47 -10.37 36 1 -2 37 2 -2 38 3 -1 4 29 1 5 30 1 34 6 -1 34 7 -2 35 8 -1 35 9 -2 39 10 -1 40 11 -1 41 12 -2 13 29 2 14 30 2 15 31 2 16 18 1 16 32 1 17 23 1 17 34 1 18 39 1 19 21 1 19 36 1 20 22 1 20 37 1 21 40 1 22 42 1 23 43 1 24 33 1 24 41 1 25 34 1 25 38 1 26 29 1 32 26 -1 27 30 1 33 27 -2 28 31 1 42 28 -1 43 31 -1 32 35 1 33 43 1 35 36 1 36 39 1 37 39 1 37 40 1 38 42 1 38 43 1 40 41 1 41 42 1', '43 48 H 14.29 -15.05 H 15.57 -12.81 H 19.25 -10.96 C 8.23 -14.78 C 22.90 -14.59 C 19.68 -6.35 C 21.30 -6.36 C 12.27 -15.87 C 13.77 -15.92 C 14.29 -11.09 C 16.78 -11.09 C 18.03 -13.25 O 9.42 -12.64 O 20.48 -14.61 O 20.86 -8.35 C 11.84 -12.53 C 21.71 -8.27 C 13.05 -11.80 C 15.54 -14.69 C 15.54 -10.37 C 16.79 -13.98 C 16.79 -9.68 C 21.71 -9.68 C 19.25 -12.53 C 19.25 -8.27 O 10.65 -14.71 O 21.69 -12.50 O 18.43 -9.04 C 9.42 -14.04 C 21.69 -13.90 C 20.07 -9.04 C 11.84 -13.98 C 20.47 -11.80 C 20.47 -7.54 C 13.05 -14.69 C 14.29 -13.98 C 15.54 -11.80 C 19.25 -9.68 C 14.29 -12.53 C 16.79 -12.53 C 18.01 -11.80 C 18.01 -10.37 C 20.47 -10.37 36 1 -2 37 2 -2 38 3 -1 4 29 1 5 30 1 34 6 -1 34 7 -2 35 8 -1 35 9 -2 39 10 -1 40 11 -1 41 12 -2 13 29 2 14 30 2 15 31 2 16 18 1 16 32 1 17 23 1 17 34 1 18 39 1 19 21 1 19 36 1 20 22 1 20 37 1 21 40 1 22 42 1 23 43 1 24 33 1 24 41 1 25 34 1 25 38 1 26 29 1 32 26 -1 27 30 1 33 27 -2 28 31 1 42 28 -1 43 31 -1 32 35 1 33 43 1 35 36 1 36 39 1 37 39 1 37 40 1 38 42 1 38 43 1 40 41 1 41 42 1', '43 48 H 14.29 -15.05 H 15.57 -12.81 H 19.25 -10.96 C 8.23 -14.78 C 22.90 -14.59 C:22 19.68 -6.35 C:33 21.30 -6.36 C:16 12.27 -15.87 C:28 13.77 -15.92 C:16 14.29 -11.09 C 16.78 -11.09 C:21 18.03 -13.25 O 9.42 -12.64 O 20.48 -14.61 O 20.86 -8.35 C:23 11.84 -12.53 C:35 21.71 -8.27 C:39 13.05 -11.80 C:18 15.54 -14.69 C:23 15.54 -10.37 C:32 16.79 -13.98 C:17 16.79 -9.68 C:36 21.71 -9.68 C:27 19.25 -12.53 C:34 19.25 -8.27 O 10.65 -14.71 O 21.69 -12.50 O 18.43 -9.04 C 9.42 -14.04 C 21.69 -13.90 C:177 20.07 -9.04 C:81 11.84 -13.98 C:72 20.47 -11.80 C:29 20.47 -7.54 C:38 13.05 -14.69 C:55 14.29 -13.98 C:49 15.54 -11.80 C:39 19.25 -9.68 C:37 14.29 -12.53 C:41 16.79 -12.53 C:43 18.01 -11.80 C:90 18.01 -10.37 C:51 20.47 -10.37 36 1 -2 37 2 -2 38 3 -1 4 29 1 5 30 1 34 6 -1 34 7 -2 35 8 -1 35 9 -2 39 10 -1 40 11 -1 41 12 -2 13 29 2 14 30 2 15 31 2 16 18 1 16 32 1 17 23 1 17 34 1 18 39 1 19 21 1 19 36 1 20 22 1 20 37 1 21 40 1 22 42 1 23 43 1 24 33 1 24 41 1 25 34 1 25 38 1 26 29 1 32 26 -1 27 30 1 33 27 -2 28 31 1 42 28 -1 43 31 -1 32 35 1 33 43 1 35 36 1 36 39 1 37 39 1 37 40 1 38 42 1 38 43 1 40 41 1 41 42 1', 'C34H52O6', 556.384, 'C', 'A-290', 1809, '', '', '3', 1, NULL, NULL),
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(3960, '16-Dehydroxy Saikogenin G', '3b,23-Dihydroxy-(2813)-oxido-olean-11-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]23O[CH2:28][C@@:17]1([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@:18]12[H])[CH2:16][CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]23OC[C@@]1(CC[C@](C)(C)C[C@]12[H])CC[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:131][C@:85]23O[CH2:77][C@@:42]1([CH2:31][CH2:35][C@:32]([CH3:34])([CH3:24])[CH2:37][C@:51]12[H])[CH2:25][CH2:26][C@@:44]3([CH3:19])[C@:42]4([CH3:19])[CH2:31][CH2:18][C@@:49]6([H])[C@:42]([CH3:11])([CH2:71]O)[C@@H:76](O)[CH2:26][CH2:38][C@:36]56[CH3:18]', '36 41 H 14.96 -12.22 H 13.69 -14.45 H 18.62 -10.39 C:29 20.67 -5.82 C:30 19.06 -5.81 C:24 11.69 -15.25 C:25 13.69 -10.52 C:26 16.18 -10.52 C:27 17.41 -12.66 O 12.50 -16.52 O 10.07 -14.13 C:11 14.93 -9.80 C:12 16.18 -9.11 C:23 13.18 -15.30 C:2 11.26 -11.95 C:21 21.07 -7.71 C:6 14.93 -14.09 C:1 12.46 -11.22 C:7 16.18 -13.39 C:15 18.62 -11.95 C:22 21.07 -9.11 C:16 19.84 -11.22 C:28 19.45 -8.48 C:19 18.62 -7.71 O 17.81 -8.48 C:3 11.26 -13.39 C:20 19.84 -6.99 C:9 14.93 -11.22 C:5 13.69 -13.39 C:18 18.62 -9.11 C:4 12.46 -14.09 C:10 13.69 -11.95 C:8 16.18 -11.95 C:14 17.39 -11.22 C:17 19.84 -9.80 C:13 17.39 -9.80 28 1 -2 29 2 -2 30 3 -1 27 4 -2 27 5 -1 31 6 -1 32 7 -1 33 8 -1 34 9 -2 10 14 1 26 11 -1 12 13 2 12 28 1 13 36 1 31 14 -2 15 18 1 15 26 1 16 21 1 16 27 1 17 19 1 17 29 1 18 32 1 19 33 1 20 22 1 20 34 1 21 35 1 22 35 1 23 25 1 35 23 -1 24 27 1 24 30 1 36 25 -1 26 31 1 28 32 1 28 33 1 29 31 1 29 32 1 30 35 1 30 36 1 33 34 1 34 36 1', '36 41 H 14.96 -12.22 H 13.69 -14.45 H 18.62 -10.39 C 20.67 -5.82 C 19.06 -5.81 C 11.69 -15.25 C 13.69 -10.52 C 16.18 -10.52 C 17.41 -12.66 O 12.50 -16.52 O 10.07 -14.13 C 14.93 -9.80 C 16.18 -9.11 C 13.18 -15.30 C 11.26 -11.95 C 21.07 -7.71 C 14.93 -14.09 C 12.46 -11.22 C 16.18 -13.39 C 18.62 -11.95 C 21.07 -9.11 C 19.84 -11.22 C 19.45 -8.48 C 18.62 -7.71 O 17.81 -8.48 C 11.26 -13.39 C 19.84 -6.99 C 14.93 -11.22 C 13.69 -13.39 C 18.62 -9.11 C 12.46 -14.09 C 13.69 -11.95 C 16.18 -11.95 C 17.39 -11.22 C 19.84 -9.80 C 17.39 -9.80 28 1 -2 29 2 -2 30 3 -1 27 4 -2 27 5 -1 31 6 -1 32 7 -1 33 8 -1 34 9 -2 10 14 1 26 11 -1 12 13 2 12 28 1 13 36 1 31 14 -2 15 18 1 15 26 1 16 21 1 16 27 1 17 19 1 17 29 1 18 32 1 19 33 1 20 22 1 20 34 1 21 35 1 22 35 1 23 25 1 35 23 -1 24 27 1 24 30 1 36 25 -1 26 31 1 28 32 1 28 33 1 29 31 1 29 32 1 30 35 1 30 36 1 33 34 1 34 36 1', '36 41 H 14.96 -12.22 H 13.69 -14.45 H 18.62 -10.39 C:34 20.67 -5.82 C:24 19.06 -5.81 C:11 11.69 -15.25 C:18 13.69 -10.52 C:19 16.18 -10.52 C:19 17.41 -12.66 O 12.50 -16.52 O 10.07 -14.13 C:133 14.93 -9.80 C:131 16.18 -9.11 C:71 13.18 -15.30 C:26 11.26 -11.95 C:35 21.07 -7.71 C:18 14.93 -14.09 C:38 12.46 -11.22 C:31 16.18 -13.39 C:26 18.62 -11.95 C:31 21.07 -9.11 C:25 19.84 -11.22 C:77 19.45 -8.48 C:37 18.62 -7.71 O 17.81 -8.48 C:76 11.26 -13.39 C:32 19.84 -6.99 C:53 14.93 -11.22 C:49 13.69 -13.39 C:51 18.62 -9.11 C:42 12.46 -14.09 C:36 13.69 -11.95 C:42 16.18 -11.95 C:44 17.39 -11.22 C:42 19.84 -9.80 C:85 17.39 -9.80 28 1 -2 29 2 -2 30 3 -1 27 4 -2 27 5 -1 31 6 -1 32 7 -1 33 8 -1 34 9 -2 10 14 1 26 11 -1 12 13 2 12 28 1 13 36 1 31 14 -2 15 18 1 15 26 1 16 21 1 16 27 1 17 19 1 17 29 1 18 32 1 19 33 1 20 22 1 20 34 1 21 35 1 22 35 1 23 25 1 35 23 -1 24 27 1 24 30 1 36 25 -1 26 31 1 28 32 1 28 33 1 29 31 1 29 32 1 30 35 1 30 36 1 33 34 1 34 36 1', 'C30H48O3', 456.343, 'C+M', 'A-304', 1044, '', '', '3', 1, NULL, NULL),
(3961, 'Saikogenin G', '3b,16b,23-Trihydroxy-(2813)-oxido-olean-11-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@](C)(C)C[C@@]12[H])[C@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:131][C@:85]13O[CH2:77][C@@:45]2([CH2:31][CH2:37][C@:32]([CH3:33])([CH3:24])[CH2:38][C@@:51]12[H])[C@H:77](O)[CH2:35][C@@:43]3([CH3:18])[C@:42]4([CH3:19])[CH2:31][CH2:18][C@@:49]6([H])[C@:42]([CH3:11])([CH2:70]O)[C@@H:76](O)[CH2:26][CH2:38][C@:36]56[CH3:18]', '37 42 H 14.96 -12.22 H 13.69 -14.45 H 18.62 -10.39 C:29 20.67 -5.82 C:30 19.06 -5.81 C:24 11.69 -15.25 C:25 13.69 -10.52 C:26 16.18 -10.52 C:27 17.41 -12.66 O 12.50 -16.52 O 10.07 -14.13 O 21.06 -11.91 C:11 14.93 -9.80 C:12 16.18 -9.11 C:23 13.18 -15.30 C:2 11.26 -11.95 C:21 21.07 -7.71 C:6 14.93 -14.09 C:1 12.46 -11.22 C:7 16.18 -13.39 C:22 21.07 -9.11 C:28 19.45 -8.48 C:15 18.62 -11.95 C:19 18.62 -7.71 O 17.81 -8.48 C:3 11.26 -13.39 C:16 19.84 -11.22 C:20 19.84 -6.99 C:9 14.93 -11.22 C:5 13.69 -13.39 C:18 18.62 -9.11 C:4 12.46 -14.09 C:10 13.69 -11.95 C:8 16.18 -11.95 C:14 17.39 -11.22 C:13 17.39 -9.80 C:17 19.84 -9.80 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -2 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.96 -12.22 H 13.69 -14.45 H 18.62 -10.39 C 20.67 -5.82 C 19.06 -5.81 C 11.69 -15.25 C 13.69 -10.52 C 16.18 -10.52 C 17.41 -12.66 O 12.50 -16.52 O 10.07 -14.13 O 21.06 -11.91 C 14.93 -9.80 C 16.18 -9.11 C 13.18 -15.30 C 11.26 -11.95 C 21.07 -7.71 C 14.93 -14.09 C 12.46 -11.22 C 16.18 -13.39 C 21.07 -9.11 C 19.45 -8.48 C 18.62 -11.95 C 18.62 -7.71 O 17.81 -8.48 C 11.26 -13.39 C 19.84 -11.22 C 19.84 -6.99 C 14.93 -11.22 C 13.69 -13.39 C 18.62 -9.11 C 12.46 -14.09 C 13.69 -11.95 C 16.18 -11.95 C 17.39 -11.22 C 17.39 -9.80 C 19.84 -9.80 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -2 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.96 -12.22 H 13.69 -14.45 H 18.62 -10.39 C:33 20.67 -5.82 C:24 19.06 -5.81 C:11 11.69 -15.25 C:18 13.69 -10.52 C:19 16.18 -10.52 C:18 17.41 -12.66 O 12.50 -16.52 O 10.07 -14.13 O 21.06 -11.91 C:133 14.93 -9.80 C:131 16.18 -9.11 C:70 13.18 -15.30 C:26 11.26 -11.95 C:37 21.07 -7.71 C:18 14.93 -14.09 C:38 12.46 -11.22 C:31 16.18 -13.39 C:31 21.07 -9.11 C:77 19.45 -8.48 C:35 18.62 -11.95 C:38 18.62 -7.71 O 17.81 -8.48 C:76 11.26 -13.39 C:77 19.84 -11.22 C:32 19.84 -6.99 C:53 14.93 -11.22 C:49 13.69 -13.39 C:51 18.62 -9.11 C:42 12.46 -14.09 C:36 13.69 -11.95 C:42 16.18 -11.95 C:43 17.39 -11.22 C:85 17.39 -9.80 C:45 19.84 -9.80 29 1 -2 30 2 -2 31 3 -1 28 4 -2 28 5 -1 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -2 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', 'C30H48O4', 472.342, 'P', 'A-305', 1044, '', '', '3', 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
(3962, 'Saikogenin F Peracetate', '3b,16b,23-Triacetoxy-(2813)-oxido-olean-11-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[CH2:19][C@@:18]12[H])[C@@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O[C:23001]([CH3:23002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@@](C)(C)C[C@@]12[H])[C@@H](OC(C)=O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]56C', '[H][C@:52]45[CH:132]=[CH:130][C@:84]13O[CH2:73][C@@:45]2([CH2:25][CH2:34][C@@:31]([CH3:24])([CH3:33])[CH2:37][C@@:52]12[H])[C@@H:69](O[C:9999]([CH3:9999])=O)[CH2:32][C@@:45]3([CH3:21])[C@:42]4([CH3:19])[CH2:31][CH2:17][C@@:48]6([H])[C@:41]([CH3:13])([CH2:65]O[C:9999]([CH3:9999])=O)[C@@H:74](O[C:9999]([CH3:9999])=O)[CH2:23][CH2:38][C@:36]56[CH3:18]', '46 51 H 15.58 -10.97 H 14.31 -13.21 H 19.24 -9.15 C:23002 13.14 -17.72 C:3002 8.27 -12.96 C:16002 22.88 -12.77 C:30 19.68 -4.58 C:29 21.28 -4.59 C:24 12.30 -14.02 C:25 14.31 -9.28 C:26 16.80 -9.28 C:27 18.03 -11.41 O 15.23 -16.50 O 9.46 -10.82 O 20.45 -12.77 C:11 15.55 -8.56 C:12 16.80 -7.87 C:2 11.87 -10.71 C:21 21.68 -6.47 C:1 13.08 -9.98 C:6 15.55 -12.85 C:7 16.80 -12.14 C:22 21.68 -7.87 C:23 13.80 -14.07 C:28 20.06 -7.23 C:15 19.24 -10.71 C:19 19.24 -6.47 O 13.12 -15.29 O 18.43 -7.23 O 10.69 -12.89 O 21.67 -10.68 C:23001 13.83 -16.50 C:3001 9.46 -12.21 C:16001 21.67 -12.07 C:3 11.87 -12.14 C:16 20.45 -9.98 C:20 20.45 -5.76 C:9 15.55 -9.98 C:5 14.31 -12.14 C:18 19.24 -7.87 C:4 13.08 -12.85 C:10 14.31 -10.71 C:8 16.80 -10.71 C:14 18.01 -9.98 C:13 18.01 -8.56 C:17 20.45 -8.56 38 1 -2 39 2 -2 40 3 -1 4 32 1 5 33 1 6 34 1 37 7 -1 37 8 -2 41 9 -1 42 10 -1 43 11 -1 44 12 -2 13 32 2 14 33 2 15 34 2 16 17 2 16 38 1 17 45 1 18 20 1 18 35 1 19 23 1 19 37 1 20 42 1 21 22 1 21 39 1 22 43 1 23 46 1 24 28 1 41 24 -2 25 29 1 46 25 -1 26 36 1 26 44 1 27 37 1 27 40 1 28 32 1 45 29 -1 30 33 1 35 30 -1 31 34 1 36 31 -1 35 41 1 36 46 1 38 42 1 38 43 1 39 41 1 39 42 1 40 45 1 40 46 1 43 44 1 44 45 1', '46 51 H 15.58 -10.97 H 14.31 -13.21 H 19.24 -9.15 C 13.14 -17.72 C 8.27 -12.96 C 22.88 -12.77 C 19.68 -4.58 C 21.28 -4.59 C 12.30 -14.02 C 14.31 -9.28 C 16.80 -9.28 C 18.03 -11.41 O 15.23 -16.50 O 9.46 -10.82 O 20.45 -12.77 C 15.55 -8.56 C 16.80 -7.87 C 11.87 -10.71 C 21.68 -6.47 C 13.08 -9.98 C 15.55 -12.85 C 16.80 -12.14 C 21.68 -7.87 C 13.80 -14.07 C 20.06 -7.23 C 19.24 -10.71 C 19.24 -6.47 O 13.12 -15.29 O 18.43 -7.23 O 10.69 -12.89 O 21.67 -10.68 C 13.83 -16.50 C 9.46 -12.21 C 21.67 -12.07 C 11.87 -12.14 C 20.45 -9.98 C 20.45 -5.76 C 15.55 -9.98 C 14.31 -12.14 C 19.24 -7.87 C 13.08 -12.85 C 14.31 -10.71 C 16.80 -10.71 C 18.01 -9.98 C 18.01 -8.56 C 20.45 -8.56 38 1 -2 39 2 -2 40 3 -1 4 32 1 5 33 1 6 34 1 37 7 -1 37 8 -2 41 9 -1 42 10 -1 43 11 -1 44 12 -2 13 32 2 14 33 2 15 34 2 16 17 2 16 38 1 17 45 1 18 20 1 18 35 1 19 23 1 19 37 1 20 42 1 21 22 1 21 39 1 22 43 1 23 46 1 24 28 1 41 24 -2 25 29 1 46 25 -1 26 36 1 26 44 1 27 37 1 27 40 1 28 32 1 45 29 -1 30 33 1 35 30 -1 31 34 1 36 31 -1 35 41 1 36 46 1 38 42 1 38 43 1 39 41 1 39 42 1 40 45 1 40 46 1 43 44 1 44 45 1', '46 51 H 15.58 -10.97 H 14.31 -13.21 H 19.24 -9.15 C 13.14 -17.72 C 8.27 -12.96 C 22.88 -12.77 C:24 19.68 -4.58 C:33 21.28 -4.59 C:13 12.30 -14.02 C:18 14.31 -9.28 C:19 16.80 -9.28 C:21 18.03 -11.41 O 15.23 -16.50 O 9.46 -10.82 O 20.45 -12.77 C:132 15.55 -8.56 C:130 16.80 -7.87 C:23 11.87 -10.71 C:34 21.68 -6.47 C:38 13.08 -9.98 C:17 15.55 -12.85 C:31 16.80 -12.14 C:25 21.68 -7.87 C:65 13.80 -14.07 C:73 20.06 -7.23 C:32 19.24 -10.71 C:37 19.24 -6.47 O 13.12 -15.29 O 18.43 -7.23 O 10.69 -12.89 O 21.67 -10.68 C 13.83 -16.50 C 9.46 -12.21 C 21.67 -12.07 C:74 11.87 -12.14 C:69 20.45 -9.98 C:31 20.45 -5.76 C:52 15.55 -9.98 C:48 14.31 -12.14 C:52 19.24 -7.87 C:41 13.08 -12.85 C:36 14.31 -10.71 C:42 16.80 -10.71 C:45 18.01 -9.98 C:84 18.01 -8.56 C:45 20.45 -8.56 38 1 -2 39 2 -2 40 3 -1 4 32 1 5 33 1 6 34 1 37 7 -1 37 8 -2 41 9 -1 42 10 -1 43 11 -1 44 12 -2 13 32 2 14 33 2 15 34 2 16 17 2 16 38 1 17 45 1 18 20 1 18 35 1 19 23 1 19 37 1 20 42 1 21 22 1 21 39 1 22 43 1 23 46 1 24 28 1 41 24 -2 25 29 1 46 25 -1 26 36 1 26 44 1 27 37 1 27 40 1 28 32 1 45 29 -1 30 33 1 35 30 -1 31 34 1 36 31 -1 35 41 1 36 46 1 38 42 1 38 43 1 39 41 1 39 42 1 40 45 1 40 46 1 43 44 1 44 45 1', 'C36H54O7', 598.405, 'C+M', 'A-306', 1044, '', '', '3', 1, NULL, NULL),
(3963, 'Saikogenin G Peracetate', '3b,16a,23-Triacetoxy-(2813)-oxido-olean-11-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][C@@:18]12[H])[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O[C:23001]([CH3:23002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@](C)(C)C[C@@]12[H])[C@H](OC(C)=O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]56C', '[H][C@:52]45[CH:132]=[CH:130][C@:84]13O[CH2:77][C@@:44]2([CH2:30][CH2:36][C@:32]([CH3:34])([CH3:24])[CH2:38][C@@:50]12[H])[C@H:78](O[C:9999]([CH3:9999])=O)[CH2:32][C@@:43]3([CH3:18])[C@:41]4([CH3:19])[CH2:31][CH2:17][C@@:48]6([H])[C@:41]([CH3:13])([CH2:65]O[C:9999]([CH3:9999])=O)[C@@H:74](O[C:9999]([CH3:9999])=O)[CH2:23][CH2:38][C@:36]56[CH3:18]', '46 51 H 15.55 -11.01 H 14.28 -13.24 H 19.21 -9.17 C:23002 13.08 -17.73 C:3002 8.24 -12.96 C:16002 22.85 -12.78 C:29 21.25 -4.59 C:30 19.64 -4.58 C:24 12.27 -14.06 C:25 14.28 -9.30 C:26 16.76 -9.30 C:27 18.00 -11.45 O 15.17 -16.49 O 9.40 -10.84 O 20.44 -12.81 C:11 15.52 -8.58 C:12 16.77 -7.90 C:2 11.84 -10.73 C:21 21.66 -6.49 C:1 13.04 -10.01 C:6 15.52 -12.88 C:7 16.77 -12.18 C:22 21.66 -7.90 C:23 13.76 -14.11 C:28 20.03 -7.26 C:15 19.21 -10.73 C:19 19.21 -6.49 O 13.07 -15.32 O 18.40 -7.26 O 10.66 -12.90 O 21.63 -10.70 C:23001 13.77 -16.51 C:3001 9.43 -12.24 C:16001 21.64 -12.10 C:3 11.84 -12.18 C:16 20.43 -10.01 C:20 20.43 -5.77 C:9 15.52 -10.01 C:5 14.28 -12.18 C:18 19.21 -7.90 C:4 13.04 -12.88 C:10 14.28 -10.73 C:8 16.77 -10.73 C:14 17.98 -10.01 C:13 17.98 -8.58 C:17 20.43 -8.58 38 1 -2 39 2 -2 40 3 -1 4 32 1 5 33 1 6 34 1 37 7 -2 37 8 -1 41 9 -1 42 10 -1 43 11 -1 44 12 -2 13 32 2 14 33 2 15 34 2 16 17 2 16 38 1 17 45 1 18 20 1 18 35 1 19 23 1 19 37 1 20 42 1 21 22 1 21 39 1 22 43 1 23 46 1 24 28 1 41 24 -2 25 29 1 46 25 -1 26 36 1 26 44 1 27 37 1 27 40 1 28 32 1 45 29 -1 30 33 1 35 30 -1 31 34 1 36 31 -2 35 41 1 36 46 1 38 42 1 38 43 1 39 41 1 39 42 1 40 45 1 40 46 1 43 44 1 44 45 1', '46 51 H 15.55 -11.01 H 14.28 -13.24 H 19.21 -9.17 C 13.08 -17.73 C 8.24 -12.96 C 22.85 -12.78 C 21.25 -4.59 C 19.64 -4.58 C 12.27 -14.06 C 14.28 -9.30 C 16.76 -9.30 C 18.00 -11.45 O 15.17 -16.49 O 9.40 -10.84 O 20.44 -12.81 C 15.52 -8.58 C 16.77 -7.90 C 11.84 -10.73 C 21.66 -6.49 C 13.04 -10.01 C 15.52 -12.88 C 16.77 -12.18 C 21.66 -7.90 C 13.76 -14.11 C 20.03 -7.26 C 19.21 -10.73 C 19.21 -6.49 O 13.07 -15.32 O 18.40 -7.26 O 10.66 -12.90 O 21.63 -10.70 C 13.77 -16.51 C 9.43 -12.24 C 21.64 -12.10 C 11.84 -12.18 C 20.43 -10.01 C 20.43 -5.77 C 15.52 -10.01 C 14.28 -12.18 C 19.21 -7.90 C 13.04 -12.88 C 14.28 -10.73 C 16.77 -10.73 C 17.98 -10.01 C 17.98 -8.58 C 20.43 -8.58 38 1 -2 39 2 -2 40 3 -1 4 32 1 5 33 1 6 34 1 37 7 -2 37 8 -1 41 9 -1 42 10 -1 43 11 -1 44 12 -2 13 32 2 14 33 2 15 34 2 16 17 2 16 38 1 17 45 1 18 20 1 18 35 1 19 23 1 19 37 1 20 42 1 21 22 1 21 39 1 22 43 1 23 46 1 24 28 1 41 24 -2 25 29 1 46 25 -1 26 36 1 26 44 1 27 37 1 27 40 1 28 32 1 45 29 -1 30 33 1 35 30 -1 31 34 1 36 31 -2 35 41 1 36 46 1 38 42 1 38 43 1 39 41 1 39 42 1 40 45 1 40 46 1 43 44 1 44 45 1', '46 51 H 15.55 -11.01 H 14.28 -13.24 H 19.21 -9.17 C 13.08 -17.73 C 8.24 -12.96 C 22.85 -12.78 C:34 21.25 -4.59 C:24 19.64 -4.58 C:13 12.27 -14.06 C:18 14.28 -9.30 C:19 16.76 -9.30 C:18 18.00 -11.45 O 15.17 -16.49 O 9.40 -10.84 O 20.44 -12.81 C:132 15.52 -8.58 C:130 16.77 -7.90 C:23 11.84 -10.73 C:36 21.66 -6.49 C:38 13.04 -10.01 C:17 15.52 -12.88 C:31 16.77 -12.18 C:30 21.66 -7.90 C:65 13.76 -14.11 C:77 20.03 -7.26 C:32 19.21 -10.73 C:38 19.21 -6.49 O 13.07 -15.32 O 18.40 -7.26 O 10.66 -12.90 O 21.63 -10.70 C 13.77 -16.51 C 9.43 -12.24 C 21.64 -12.10 C:74 11.84 -12.18 C:78 20.43 -10.01 C:32 20.43 -5.77 C:52 15.52 -10.01 C:48 14.28 -12.18 C:50 19.21 -7.90 C:41 13.04 -12.88 C:36 14.28 -10.73 C:41 16.77 -10.73 C:43 17.98 -10.01 C:84 17.98 -8.58 C:44 20.43 -8.58 38 1 -2 39 2 -2 40 3 -1 4 32 1 5 33 1 6 34 1 37 7 -2 37 8 -1 41 9 -1 42 10 -1 43 11 -1 44 12 -2 13 32 2 14 33 2 15 34 2 16 17 2 16 38 1 17 45 1 18 20 1 18 35 1 19 23 1 19 37 1 20 42 1 21 22 1 21 39 1 22 43 1 23 46 1 24 28 1 41 24 -2 25 29 1 46 25 -1 26 36 1 26 44 1 27 37 1 27 40 1 28 32 1 45 29 -1 30 33 1 35 30 -1 31 34 1 36 31 -2 35 41 1 36 46 1 38 42 1 38 43 1 39 41 1 39 42 1 40 45 1 40 46 1 43 44 1 44 45 1', 'C36H54O7', 598.405, 'C+M', 'A-307', 1044, '', '', '3', 1, NULL, NULL),
(3964, 'Saikogenin F', '3b,16b,23-Trihydroxy-(2813)-oxido-olean-11-ene', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C@:13]13O[CH2:28][C@@:17]2([CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[CH2:19][C@@:18]12[H])[C@@H:16](O)[CH2:15][C@@:14]3([CH3:27])[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@:4]([CH3:24])([CH2:23]O)[C@@H:3](O)[CH2:2][CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=C[C@]13OC[C@@]2(CC[C@@](C)(C)C[C@@]12[H])[C@@H](O)C[C@@]3(C)[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)CC[C@]56C', '[H][C@:53]45[CH:133]=[CH:130][C@:84]13O[CH2:73][C@@:46]2([CH2:25][CH2:34][C@@:32]([CH3:24])([CH3:34])[CH2:38][C@@:52]12[H])[C@@H:65](O)[CH2:35][C@@:46]3([CH3:21])[C@:42]4([CH3:20])[CH2:31][CH2:18][C@@:49]6([H])[C@:42]([CH3:11])([CH2:70]O)[C@@H:75](O)[CH2:26][CH2:38][C@:36]56[CH3:18]', '37 42 H 14.97 -12.20 H 13.70 -14.44 H 18.63 -10.38 C:30 19.07 -5.81 C:29 20.67 -5.82 C:24 11.69 -15.25 C:25 13.70 -10.51 C:26 16.19 -10.51 C:27 17.42 -12.64 O 12.51 -16.52 O 10.08 -14.12 O 21.06 -11.91 C:11 14.94 -9.79 C:12 16.19 -9.10 C:23 13.19 -15.30 C:2 11.26 -11.94 C:21 21.07 -7.70 C:6 14.94 -14.08 C:1 12.47 -11.21 C:7 16.19 -13.37 C:22 21.07 -9.10 C:28 19.45 -8.46 C:15 18.63 -11.94 C:19 18.63 -7.70 O 17.82 -8.46 C:3 11.26 -13.37 C:16 19.84 -11.21 C:20 19.84 -6.99 C:9 14.94 -11.21 C:5 13.70 -13.37 C:18 18.63 -9.10 C:4 12.47 -14.08 C:10 13.70 -11.94 C:8 16.19 -11.94 C:14 17.40 -11.21 C:13 17.40 -9.79 C:17 19.84 -9.79 29 1 -2 30 2 -2 31 3 -1 28 4 -1 28 5 -2 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -1 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.97 -12.20 H 13.70 -14.44 H 18.63 -10.38 C 19.07 -5.81 C 20.67 -5.82 C 11.69 -15.25 C 13.70 -10.51 C 16.19 -10.51 C 17.42 -12.64 O 12.51 -16.52 O 10.08 -14.12 O 21.06 -11.91 C 14.94 -9.79 C 16.19 -9.10 C 13.19 -15.30 C 11.26 -11.94 C 21.07 -7.70 C 14.94 -14.08 C 12.47 -11.21 C 16.19 -13.37 C 21.07 -9.10 C 19.45 -8.46 C 18.63 -11.94 C 18.63 -7.70 O 17.82 -8.46 C 11.26 -13.37 C 19.84 -11.21 C 19.84 -6.99 C 14.94 -11.21 C 13.70 -13.37 C 18.63 -9.10 C 12.47 -14.08 C 13.70 -11.94 C 16.19 -11.94 C 17.40 -11.21 C 17.40 -9.79 C 19.84 -9.79 29 1 -2 30 2 -2 31 3 -1 28 4 -1 28 5 -2 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -1 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', '37 42 H 14.97 -12.20 H 13.70 -14.44 H 18.63 -10.38 C:24 19.07 -5.81 C:34 20.67 -5.82 C:11 11.69 -15.25 C:18 13.70 -10.51 C:20 16.19 -10.51 C:21 17.42 -12.64 O 12.51 -16.52 O 10.08 -14.12 O 21.06 -11.91 C:133 14.94 -9.79 C:130 16.19 -9.10 C:70 13.19 -15.30 C:26 11.26 -11.94 C:34 21.07 -7.70 C:18 14.94 -14.08 C:38 12.47 -11.21 C:31 16.19 -13.37 C:25 21.07 -9.10 C:73 19.45 -8.46 C:35 18.63 -11.94 C:38 18.63 -7.70 O 17.82 -8.46 C:75 11.26 -13.37 C:65 19.84 -11.21 C:32 19.84 -6.99 C:53 14.94 -11.21 C:49 13.70 -13.37 C:52 18.63 -9.10 C:42 12.47 -14.08 C:36 13.70 -11.94 C:42 16.19 -11.94 C:46 17.40 -11.21 C:84 17.40 -9.79 C:46 19.84 -9.79 29 1 -2 30 2 -2 31 3 -1 28 4 -1 28 5 -2 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 15 1 26 11 -1 27 12 -1 13 14 2 13 29 1 14 36 1 32 15 -2 16 19 1 16 26 1 17 21 1 17 28 1 18 20 1 18 30 1 19 33 1 20 34 1 21 37 1 22 25 1 37 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 36 25 -1 26 32 1 27 37 1 29 33 1 29 34 1 30 32 1 30 33 1 31 36 1 31 37 1 34 35 1 35 36 1', 'C30H48O4', 472.342, 'C+M', 'A-308', 1044, '', '', '3', 1, NULL, NULL),
(3965, 'Privenogenin B-22-acetate', '3b,16a,22a-Triacetoxy-(2813)-oxido-oleanane', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]14O[CH2:28][C@@:17]2([C@@H:22](O[C:22001]([CH3:22002])=O)[CH2:21][C@@:20]([CH3:30])([CH3:29])[CH2:19][C@@:18]12[H])[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]14OC[C@@]2([C@@H](OC(C)=O)C[C@@](C)(C)C[C@@]12[H])[C@H](OC(C)=O)C[C@@]34C)[C@@]5(C)CC[C@H](OC(C)=O)[C@]6(C)C', '[H][C@@:56]56[CH2:18][CH2:33][C@:43]3([CH3:19])[C@:51]([H])([CH2:19][CH2:35][C@:86]14O[CH2:77][C@@:49]2([C@@H:76](O[C:9999]([CH3:9999])=O)[CH2:42][C@@:33]([CH3:26])([CH3:33])[CH2:38][C@@:51]12[H])[C@H:71](O[C:9999]([CH3:9999])=O)[CH2:37][C@@:45]34[CH3:20])[C@@:37]5([CH3:17])[CH2:39][CH2:27][C@H:89](O[C:9999]([CH3:9999])=O)[C@:40]6([CH3:28])[CH3:17]', '46 51 H 13.10 -15.03 H 14.38 -12.80 H 18.04 -10.96 C:3002 7.06 -14.75 C:22002 24.11 -10.40 C:16002 21.66 -14.57 C:30 18.46 -6.37 C:29 20.07 -6.38 C:23 12.58 -15.90 C:24 11.09 -15.85 C:25 13.10 -11.09 C:26 15.58 -11.09 C:27 16.82 -13.24 O 8.23 -12.63 O 22.90 -8.29 O 19.25 -14.60 C:2 10.66 -12.52 C:1 11.87 -11.80 C:6 14.35 -14.67 C:11 14.35 -10.37 C:7 15.59 -13.97 C:12 15.59 -9.69 C:28 18.84 -9.05 C:21 20.48 -8.28 C:15 18.04 -12.52 C:19 18.04 -8.28 O 17.22 -9.05 O 9.48 -14.69 O 21.69 -10.39 O 20.45 -12.49 C:3001 8.26 -14.03 C:22001 22.90 -9.69 C:16001 20.46 -13.89 C:3 10.66 -13.97 C:22 20.48 -9.69 C:16 19.24 -11.80 C:20 19.24 -7.56 C:4 11.87 -14.67 C:5 13.10 -13.97 C:9 14.35 -11.80 C:18 18.04 -9.69 C:10 13.10 -12.52 C:8 15.59 -12.52 C:14 16.80 -11.80 C:13 16.80 -10.37 C:17 19.24 -10.37 39 1 -2 40 2 -2 41 3 -1 4 31 1 5 32 1 6 33 1 37 7 -1 37 8 -2 38 9 -2 38 10 -1 42 11 -1 43 12 -1 44 13 -2 14 31 2 15 32 2 16 33 2 17 18 1 17 34 1 18 42 1 19 21 1 19 39 1 20 22 1 20 40 1 21 43 1 22 45 1 23 27 1 46 23 -1 24 35 1 24 37 1 25 36 1 25 44 1 26 37 1 26 41 1 45 27 -1 28 31 1 34 28 -1 29 32 1 35 29 -2 30 33 1 36 30 -2 34 38 1 35 46 1 36 46 1 38 39 1 39 42 1 40 42 1 40 43 1 41 45 1 41 46 1 43 44 1 44 45 1', '46 51 H 13.10 -15.03 H 14.38 -12.80 H 18.04 -10.96 C 7.06 -14.75 C 24.11 -10.40 C 21.66 -14.57 C 18.46 -6.37 C 20.07 -6.38 C 12.58 -15.90 C 11.09 -15.85 C 13.10 -11.09 C 15.58 -11.09 C 16.82 -13.24 O 8.23 -12.63 O 22.90 -8.29 O 19.25 -14.60 C 10.66 -12.52 C 11.87 -11.80 C 14.35 -14.67 C 14.35 -10.37 C 15.59 -13.97 C 15.59 -9.69 C 18.84 -9.05 C 20.48 -8.28 C 18.04 -12.52 C 18.04 -8.28 O 17.22 -9.05 O 9.48 -14.69 O 21.69 -10.39 O 20.45 -12.49 C 8.26 -14.03 C 22.90 -9.69 C 20.46 -13.89 C 10.66 -13.97 C 20.48 -9.69 C 19.24 -11.80 C 19.24 -7.56 C 11.87 -14.67 C 13.10 -13.97 C 14.35 -11.80 C 18.04 -9.69 C 13.10 -12.52 C 15.59 -12.52 C 16.80 -11.80 C 16.80 -10.37 C 19.24 -10.37 39 1 -2 40 2 -2 41 3 -1 4 31 1 5 32 1 6 33 1 37 7 -1 37 8 -2 38 9 -2 38 10 -1 42 11 -1 43 12 -1 44 13 -2 14 31 2 15 32 2 16 33 2 17 18 1 17 34 1 18 42 1 19 21 1 19 39 1 20 22 1 20 40 1 21 43 1 22 45 1 23 27 1 46 23 -1 24 35 1 24 37 1 25 36 1 25 44 1 26 37 1 26 41 1 45 27 -1 28 31 1 34 28 -1 29 32 1 35 29 -2 30 33 1 36 30 -2 34 38 1 35 46 1 36 46 1 38 39 1 39 42 1 40 42 1 40 43 1 41 45 1 41 46 1 43 44 1 44 45 1', '46 51 H 13.10 -15.03 H 14.38 -12.80 H 18.04 -10.96 C 7.06 -14.75 C 24.11 -10.40 C 21.66 -14.57 C:26 18.46 -6.37 C:33 20.07 -6.38 C:28 12.58 -15.90 C:17 11.09 -15.85 C:17 13.10 -11.09 C:19 15.58 -11.09 C:20 16.82 -13.24 O 8.23 -12.63 O 22.90 -8.29 O 19.25 -14.60 C:27 10.66 -12.52 C:39 11.87 -11.80 C:18 14.35 -14.67 C:19 14.35 -10.37 C:33 15.59 -13.97 C:35 15.59 -9.69 C:77 18.84 -9.05 C:42 20.48 -8.28 C:37 18.04 -12.52 C:38 18.04 -8.28 O 17.22 -9.05 O 9.48 -14.69 O 21.69 -10.39 O 20.45 -12.49 C 8.26 -14.03 C 22.90 -9.69 C 20.46 -13.89 C:89 10.66 -13.97 C:76 20.48 -9.69 C:71 19.24 -11.80 C:33 19.24 -7.56 C:40 11.87 -14.67 C:56 13.10 -13.97 C:51 14.35 -11.80 C:51 18.04 -9.69 C:37 13.10 -12.52 C:43 15.59 -12.52 C:45 16.80 -11.80 C:86 16.80 -10.37 C:49 19.24 -10.37 39 1 -2 40 2 -2 41 3 -1 4 31 1 5 32 1 6 33 1 37 7 -1 37 8 -2 38 9 -2 38 10 -1 42 11 -1 43 12 -1 44 13 -2 14 31 2 15 32 2 16 33 2 17 18 1 17 34 1 18 42 1 19 21 1 19 39 1 20 22 1 20 40 1 21 43 1 22 45 1 23 27 1 46 23 -1 24 35 1 24 37 1 25 36 1 25 44 1 26 37 1 26 41 1 45 27 -1 28 31 1 34 28 -1 29 32 1 35 29 -2 30 33 1 36 30 -2 34 38 1 35 46 1 36 46 1 38 39 1 39 42 1 40 42 1 40 43 1 41 45 1 41 46 1 43 44 1 44 45 1', 'C36H56O7', 600.405, 'P', 'A-309', 731, '', '', '3', 1, NULL, NULL),
(3966, 'Anagalligenin B', '3b,16a,23-Trihydroxy-(2813)-oxido-oleanane', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]24O[CH2:28][C@@:17]1([CH2:22][CH2:21][C@@:20]([CH3:30])([CH3:29])[CH2:19][C@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]6([CH3:24])[CH2:23]O', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]24OC[C@@]1(CC[C@@](C)(C)C[C@]12[H])[C@H](O)C[C@@]34C)[C@@]5(C)CC[C@H](O)[C@@]6(C)CO', '[H][C@@:48]56[CH2:18][CH2:32][C@:43]3([CH3:19])[C@:51]([H])([CH2:20][CH2:34][C@:87]24O[CH2:78][C@@:45]1([CH2:33][CH2:37][C@@:32]([CH3:25])([CH3:34])[CH2:39][C@:52]12[H])[C@H:78](O)[CH2:37][C@@:44]34[CH3:20])[C@@:37]5([CH3:17])[CH2:39][CH2:25][C@H:83](O)[C@@:44]6([CH3:13])[CH2:65]O', '37 42 H 13.11 -15.11 H 14.39 -12.87 H 18.07 -11.02 C:30 18.50 -6.41 C:29 20.12 -6.42 C:24 11.09 -15.93 C:25 13.11 -11.15 C:26 15.60 -11.15 C:27 16.85 -13.31 O 11.90 -17.19 O 9.47 -14.77 O 20.50 -12.55 C:23 12.59 -15.98 C:2 10.66 -12.59 C:1 11.87 -11.86 C:21 20.53 -8.33 C:6 14.36 -14.75 C:11 14.36 -10.43 C:7 15.61 -14.04 C:22 20.53 -9.74 C:12 15.61 -9.74 C:28 18.89 -9.10 C:15 18.07 -12.59 C:19 18.07 -8.33 O 17.25 -9.10 C:3 10.66 -14.04 C:16 19.29 -11.86 C:20 19.29 -7.60 C:5 13.11 -14.04 C:9 14.36 -11.86 C:18 18.07 -9.74 C:4 11.87 -14.75 C:10 13.11 -12.59 C:8 15.61 -12.59 C:14 16.83 -11.86 C:17 19.29 -10.43 C:13 16.83 -10.43 29 1 -2 30 2 -2 31 3 -1 28 4 -1 28 5 -2 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 13 1 26 11 -1 27 12 -2 32 13 -2 14 15 1 14 26 1 15 33 1 16 20 1 16 28 1 17 19 1 17 29 1 18 21 1 18 30 1 19 34 1 20 36 1 21 37 1 22 25 1 36 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 37 25 -1 26 32 1 27 36 1 29 32 1 29 33 1 30 33 1 30 34 1 31 36 1 31 37 1 34 35 1 35 37 1', '37 42 H 13.11 -15.11 H 14.39 -12.87 H 18.07 -11.02 C 18.50 -6.41 C 20.12 -6.42 C 11.09 -15.93 C 13.11 -11.15 C 15.60 -11.15 C 16.85 -13.31 O 11.90 -17.19 O 9.47 -14.77 O 20.50 -12.55 C 12.59 -15.98 C 10.66 -12.59 C 11.87 -11.86 C 20.53 -8.33 C 14.36 -14.75 C 14.36 -10.43 C 15.61 -14.04 C 20.53 -9.74 C 15.61 -9.74 C 18.89 -9.10 C 18.07 -12.59 C 18.07 -8.33 O 17.25 -9.10 C 10.66 -14.04 C 19.29 -11.86 C 19.29 -7.60 C 13.11 -14.04 C 14.36 -11.86 C 18.07 -9.74 C 11.87 -14.75 C 13.11 -12.59 C 15.61 -12.59 C 16.83 -11.86 C 19.29 -10.43 C 16.83 -10.43 29 1 -2 30 2 -2 31 3 -1 28 4 -1 28 5 -2 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 13 1 26 11 -1 27 12 -2 32 13 -2 14 15 1 14 26 1 15 33 1 16 20 1 16 28 1 17 19 1 17 29 1 18 21 1 18 30 1 19 34 1 20 36 1 21 37 1 22 25 1 36 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 37 25 -1 26 32 1 27 36 1 29 32 1 29 33 1 30 33 1 30 34 1 31 36 1 31 37 1 34 35 1 35 37 1', '37 42 H 13.11 -15.11 H 14.39 -12.87 H 18.07 -11.02 C:25 18.50 -6.41 C:34 20.12 -6.42 C:13 11.09 -15.93 C:17 13.11 -11.15 C:19 15.60 -11.15 C:20 16.85 -13.31 O 11.90 -17.19 O 9.47 -14.77 O 20.50 -12.55 C:65 12.59 -15.98 C:25 10.66 -12.59 C:39 11.87 -11.86 C:37 20.53 -8.33 C:18 14.36 -14.75 C:20 14.36 -10.43 C:32 15.61 -14.04 C:33 20.53 -9.74 C:34 15.61 -9.74 C:78 18.89 -9.10 C:37 18.07 -12.59 C:39 18.07 -8.33 O 17.25 -9.10 C:83 10.66 -14.04 C:78 19.29 -11.86 C:32 19.29 -7.60 C:48 13.11 -14.04 C:51 14.36 -11.86 C:52 18.07 -9.74 C:44 11.87 -14.75 C:37 13.11 -12.59 C:43 15.61 -12.59 C:44 16.83 -11.86 C:45 19.29 -10.43 C:87 16.83 -10.43 29 1 -2 30 2 -2 31 3 -1 28 4 -1 28 5 -2 32 6 -1 33 7 -1 34 8 -1 35 9 -2 10 13 1 26 11 -1 27 12 -2 32 13 -2 14 15 1 14 26 1 15 33 1 16 20 1 16 28 1 17 19 1 17 29 1 18 21 1 18 30 1 19 34 1 20 36 1 21 37 1 22 25 1 36 22 -1 23 27 1 23 35 1 24 28 1 24 31 1 37 25 -1 26 32 1 27 36 1 29 32 1 29 33 1 30 33 1 30 34 1 31 36 1 31 37 1 34 35 1 35 37 1', 'C30H50O4', 474.342, 'P', 'A-310', 731, '', '', '3', 1, NULL, NULL),
(3967, 'Jacquinonic acid', '16a-Hydroxy-(2813)-oxido-olean-1-en-3-on-30-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]24O[CH2:28][C@@:17]1([CH2:22][CH2:21][C@:20]([CH3:29])([C:30](=O)O)[CH2:19][C@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH:1]=[CH:2][C:3](=O)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]24OC[C@@]1(CC[C@](C)(C(=O)O)C[C@]12[H])[C@H](O)C[C@@]34C)[C@@]5(C)C=CC(=O)[C@]6(C)C', '[H][C@@:53]56[CH2:18][CH2:35][C@:39]3([CH3:19])[C@:44]([H])([CH2:19][CH2:37][C@:87]24O[CH2:78][C@@:45]1([CH2:32][CH2:34][C@:44]([CH3:28])([C:183](=O)O)[CH2:33][C@:53]12[H])[C@H:77](O)[CH2:37][C@@:44]34[CH3:18])[C@@:43]5([CH3:19])[CH:160]=[CH:125][C:206](=O)[C@:45]6([CH3:28])[CH3:21]', '38 43 H 13.69 -15.68 H 14.96 -13.45 H 18.62 -11.62 C:23 13.18 -16.54 C:24 11.69 -16.49 C:29 20.66 -7.05 C:25 13.69 -11.75 C:26 16.18 -11.75 C:27 17.41 -13.89 O 17.66 -7.04 O 10.07 -15.36 O 19.67 -5.79 O 21.04 -13.15 C:2 11.26 -13.18 C:1 12.46 -12.45 C:21 21.06 -8.94 C:6 14.93 -15.32 C:11 14.93 -11.03 C:7 16.18 -14.62 C:22 21.06 -10.34 C:12 16.18 -10.34 C:28 19.45 -9.71 C:15 18.62 -13.18 C:19 18.62 -8.94 O 17.81 -9.71 C:30 19.06 -7.04 C:3 11.26 -14.62 C:16 19.83 -12.45 C:4 12.46 -15.32 C:20 19.83 -8.22 C:5 13.69 -14.62 C:9 14.93 -12.45 C:18 18.62 -10.34 C:10 13.69 -13.18 C:8 16.18 -13.18 C:14 17.39 -12.45 C:17 19.83 -11.03 C:13 17.39 -11.03 31 1 -2 32 2 -2 33 3 -1 29 4 -2 29 5 -1 30 6 -2 34 7 -1 35 8 -1 36 9 -2 10 26 2 11 27 2 12 26 1 28 13 -2 14 15 2 14 27 1 15 34 1 16 20 1 16 30 1 17 19 1 17 31 1 18 21 1 18 32 1 19 35 1 20 37 1 21 38 1 22 25 1 37 22 -1 23 28 1 23 36 1 24 30 1 24 33 1 38 25 -1 30 26 -1 27 29 1 28 37 1 29 31 1 31 34 1 32 34 1 32 35 1 33 37 1 33 38 1 35 36 1 36 38 1', '38 43 H 13.69 -15.68 H 14.96 -13.45 H 18.62 -11.62 C 13.18 -16.54 C 11.69 -16.49 C 20.66 -7.05 C 13.69 -11.75 C 16.18 -11.75 C 17.41 -13.89 O 17.66 -7.04 O 10.07 -15.36 O 19.67 -5.79 O 21.04 -13.15 C 11.26 -13.18 C 12.46 -12.45 C 21.06 -8.94 C 14.93 -15.32 C 14.93 -11.03 C 16.18 -14.62 C 21.06 -10.34 C 16.18 -10.34 C 19.45 -9.71 C 18.62 -13.18 C 18.62 -8.94 O 17.81 -9.71 C 19.06 -7.04 C 11.26 -14.62 C 19.83 -12.45 C 12.46 -15.32 C 19.83 -8.22 C 13.69 -14.62 C 14.93 -12.45 C 18.62 -10.34 C 13.69 -13.18 C 16.18 -13.18 C 17.39 -12.45 C 19.83 -11.03 C 17.39 -11.03 31 1 -2 32 2 -2 33 3 -1 29 4 -2 29 5 -1 30 6 -2 34 7 -1 35 8 -1 36 9 -2 10 26 2 11 27 2 12 26 1 28 13 -2 14 15 2 14 27 1 15 34 1 16 20 1 16 30 1 17 19 1 17 31 1 18 21 1 18 32 1 19 35 1 20 37 1 21 38 1 22 25 1 37 22 -1 23 28 1 23 36 1 24 30 1 24 33 1 38 25 -1 30 26 -1 27 29 1 28 37 1 29 31 1 31 34 1 32 34 1 32 35 1 33 37 1 33 38 1 35 36 1 36 38 1', '38 43 H 13.69 -15.68 H 14.96 -13.45 H 18.62 -11.62 C:28 13.18 -16.54 C:21 11.69 -16.49 C:28 20.66 -7.05 C:19 13.69 -11.75 C:19 16.18 -11.75 C:18 17.41 -13.89 O 17.66 -7.04 O 10.07 -15.36 O 19.67 -5.79 O 21.04 -13.15 C:125 11.26 -13.18 C:160 12.46 -12.45 C:34 21.06 -8.94 C:18 14.93 -15.32 C:19 14.93 -11.03 C:35 16.18 -14.62 C:32 21.06 -10.34 C:37 16.18 -10.34 C:78 19.45 -9.71 C:37 18.62 -13.18 C:33 18.62 -8.94 O 17.81 -9.71 C:183 19.06 -7.04 C:206 11.26 -14.62 C:77 19.83 -12.45 C:45 12.46 -15.32 C:44 19.83 -8.22 C:53 13.69 -14.62 C:44 14.93 -12.45 C:53 18.62 -10.34 C:43 13.69 -13.18 C:39 16.18 -13.18 C:44 17.39 -12.45 C:45 19.83 -11.03 C:87 17.39 -11.03 31 1 -2 32 2 -2 33 3 -1 29 4 -2 29 5 -1 30 6 -2 34 7 -1 35 8 -1 36 9 -2 10 26 2 11 27 2 12 26 1 28 13 -2 14 15 2 14 27 1 15 34 1 16 20 1 16 30 1 17 19 1 17 31 1 18 21 1 18 32 1 19 35 1 20 37 1 21 38 1 22 25 1 37 22 -1 23 28 1 23 36 1 24 30 1 24 33 1 38 25 -1 30 26 -1 27 29 1 28 37 1 29 31 1 31 34 1 32 34 1 32 35 1 33 37 1 33 38 1 35 36 1 36 38 1', 'C30H44O5', 484.342, 'C', 'A-312', 1700, '', '', '3', 1, NULL, NULL),
(3968, 'Methyl Jacquinonic acid', 'Methyl-16a-hydroxy-(2813)-oxido-olean-1-en-3-on-30-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:5]56[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]24O[CH2:28][C@@:17]1([CH2:22][CH2:21][C@:20]([CH3:29])([C:30](=O)O[CH3:30001])[CH2:19][C@:18]12[H])[C@H:16](O)[CH2:15][C@@:14]34[CH3:27])[C@@:10]5([CH3:25])[CH:1]=[CH:2][C:3](=O)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]56CC[C@]3(C)[C@]([H])(CC[C@]24OC[C@@]1(CC[C@](C)(C(=O)OC)C[C@]12[H])[C@H](O)C[C@@]34C)[C@@]5(C)C=CC(=O)[C@@]6(C)C', '[H][C@@:53]56[CH2:18][CH2:35][C@:39]3([CH3:19])[C@:44]([H])([CH2:19][CH2:37][C@:87]24O[CH2:78][C@@:45]1([CH2:32][CH2:34][C@:44]([CH3:28])([C:178](=O)O[CH3:9999])[CH2:32][C@:53]12[H])[C@H:78](O)[CH2:37][C@@:44]34[CH3:18])[C@@:43]5([CH3:19])[CH:160]=[CH:125][C:206](=O)[C@@:45]6([CH3:21])[CH3:28]', '39 44 H 13.67 -16.23 H 14.94 -14.00 H 18.60 -12.16 C:30001 18.91 -5.15 C:24 11.67 -17.04 C:23 13.16 -17.09 C:29 20.64 -7.60 C:25 13.67 -12.29 C:26 16.16 -12.29 C:27 17.39 -14.44 O 10.06 -15.91 O 17.64 -7.59 O 21.01 -13.70 C:2 11.24 -13.73 C:1 12.44 -12.99 C:21 21.03 -9.50 C:6 14.91 -15.87 C:11 14.91 -11.57 C:7 16.16 -15.17 C:22 21.03 -10.88 C:12 16.16 -10.88 C:28 19.43 -10.26 C:15 18.60 -13.73 C:19 18.60 -9.50 O 19.65 -6.34 O 17.79 -10.26 C:3 11.24 -15.17 C:30 19.04 -7.59 C:16 19.81 -12.99 C:4 12.44 -15.87 C:20 19.81 -8.78 C:5 13.67 -15.17 C:9 14.91 -12.99 C:18 18.60 -10.88 C:10 13.67 -13.73 C:8 16.16 -13.73 C:14 17.37 -12.99 C:17 19.81 -11.57 C:13 17.37 -11.57 32 1 -2 33 2 -2 34 3 -1 4 25 1 30 5 -1 30 6 -2 31 7 -2 35 8 -1 36 9 -1 37 10 -2 11 27 2 12 28 2 29 13 -2 14 15 2 14 27 1 15 35 1 16 20 1 16 31 1 17 19 1 17 32 1 18 21 1 18 33 1 19 36 1 20 38 1 21 39 1 22 26 1 38 22 -1 23 29 1 23 37 1 24 31 1 24 34 1 25 28 1 39 26 -1 27 30 1 31 28 -1 29 38 1 30 32 1 32 35 1 33 35 1 33 36 1 34 38 1 34 39 1 36 37 1 37 39 1', '39 44 H 13.67 -16.23 H 14.94 -14.00 H 18.60 -12.16 C 18.91 -5.15 C 11.67 -17.04 C 13.16 -17.09 C 20.64 -7.60 C 13.67 -12.29 C 16.16 -12.29 C 17.39 -14.44 O 10.06 -15.91 O 17.64 -7.59 O 21.01 -13.70 C 11.24 -13.73 C 12.44 -12.99 C 21.03 -9.50 C 14.91 -15.87 C 14.91 -11.57 C 16.16 -15.17 C 21.03 -10.88 C 16.16 -10.88 C 19.43 -10.26 C 18.60 -13.73 C 18.60 -9.50 O 19.65 -6.34 O 17.79 -10.26 C 11.24 -15.17 C 19.04 -7.59 C 19.81 -12.99 C 12.44 -15.87 C 19.81 -8.78 C 13.67 -15.17 C 14.91 -12.99 C 18.60 -10.88 C 13.67 -13.73 C 16.16 -13.73 C 17.37 -12.99 C 19.81 -11.57 C 17.37 -11.57 32 1 -2 33 2 -2 34 3 -1 4 25 1 30 5 -1 30 6 -2 31 7 -2 35 8 -1 36 9 -1 37 10 -2 11 27 2 12 28 2 29 13 -2 14 15 2 14 27 1 15 35 1 16 20 1 16 31 1 17 19 1 17 32 1 18 21 1 18 33 1 19 36 1 20 38 1 21 39 1 22 26 1 38 22 -1 23 29 1 23 37 1 24 31 1 24 34 1 25 28 1 39 26 -1 27 30 1 31 28 -1 29 38 1 30 32 1 32 35 1 33 35 1 33 36 1 34 38 1 34 39 1 36 37 1 37 39 1', '39 44 H 13.67 -16.23 H 14.94 -14.00 H 18.60 -12.16 C 18.91 -5.15 C:21 11.67 -17.04 C:28 13.16 -17.09 C:28 20.64 -7.60 C:19 13.67 -12.29 C:19 16.16 -12.29 C:18 17.39 -14.44 O 10.06 -15.91 O 17.64 -7.59 O 21.01 -13.70 C:125 11.24 -13.73 C:160 12.44 -12.99 C:34 21.03 -9.50 C:18 14.91 -15.87 C:19 14.91 -11.57 C:35 16.16 -15.17 C:32 21.03 -10.88 C:37 16.16 -10.88 C:78 19.43 -10.26 C:37 18.60 -13.73 C:32 18.60 -9.50 O 19.65 -6.34 O 17.79 -10.26 C:206 11.24 -15.17 C:178 19.04 -7.59 C:78 19.81 -12.99 C:45 12.44 -15.87 C:44 19.81 -8.78 C:53 13.67 -15.17 C:44 14.91 -12.99 C:53 18.60 -10.88 C:43 13.67 -13.73 C:39 16.16 -13.73 C:44 17.37 -12.99 C:45 19.81 -11.57 C:87 17.37 -11.57 32 1 -2 33 2 -2 34 3 -1 4 25 1 30 5 -1 30 6 -2 31 7 -2 35 8 -1 36 9 -1 37 10 -2 11 27 2 12 28 2 29 13 -2 14 15 2 14 27 1 15 35 1 16 20 1 16 31 1 17 19 1 17 32 1 18 21 1 18 33 1 19 36 1 20 38 1 21 39 1 22 26 1 38 22 -1 23 29 1 23 37 1 24 31 1 24 34 1 25 28 1 39 26 -1 27 30 1 31 28 -1 29 38 1 30 32 1 32 35 1 33 35 1 33 36 1 34 38 1 34 39 1 36 37 1 37 39 1', 'C31H46O5', 498.353, 'C', 'A-313', 1700, '', '', '3', 1, NULL, NULL),
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(3972, '', 'Methyl-2a,3a,24-trihydroxy{2713)-cycloolean-11-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]45[CH:11]=[CH:12][C:13]13[CH2:27][C@:14]1([CH2:15][CH2:16][C@@:17]2([C:28](=O)O[CH3:28001])[CH2:22][CH2:21][C@:20]([CH3:29])([CH3:30])[CH2:19][CH:18]23)[C@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]6([H])[C@@:4]([CH3:23])([CH2:24]O)[C@H:3](O)[C@H:2](O)[CH2:1][C@:10]56[CH3:25]', '[H][C@]45C=CC13C[C@]1(CC[C@@]2(C(=O)OC)CC[C@](C)(C)CC23)[C@]4(C)CC[C@@]6([H])[C@@](C)(CO)[C@H](O)[C@H](O)C[C@]56C', '[H][C@:53]45[CH:138]=[CH:120][C:30]13[CH2:16][C@:29]1([CH2:24][CH2:21][C@@:45]2([C:178](=O)O[CH3:9999])[CH2:33][CH2:34][C@:33]([CH3:33])([CH3:24])[CH2:41][CH:35]23)[C@:34]4([CH3:16])[CH2:37][CH2:18][C@@:48]6([H])[C@@:44]([CH3:22])([CH2:65]O)[C@H:74](O)[C@H:66](O)[CH2:42][C@:38]56[CH3:19]', '38 43 H 13.64 -9.55 H 12.34 -11.77 C:28001 20.98 -9.90 C:29 19.36 -3.13 C:30 17.73 -3.12 C:23 11.84 -12.65 C:25 12.34 -7.84 C:26 14.85 -7.84 O 20.94 -7.10 O 9.00 -12.96 O 8.72 -8.55 O 8.73 -11.46 C:11 13.61 -7.13 C:12 14.84 -6.45 C:24 10.34 -12.60 C:21 19.77 -5.01 C:6 13.61 -11.41 C:7 14.84 -10.71 C:22 19.77 -6.45 C:16 18.53 -8.54 C:15 17.31 -9.26 C:19 17.31 -5.01 C:1 11.12 -8.54 C:27 17.31 -7.71 O 19.77 -9.21 C:28 19.76 -7.82 C:2 9.91 -9.26 C:3 9.91 -10.71 C:18 17.31 -6.45 C:20 18.53 -4.28 C:9 13.61 -8.54 C:5 12.34 -10.71 C:4 11.12 -11.41 C:10 12.34 -9.26 C:8 14.84 -9.26 C:17 18.53 -7.13 C:13 16.08 -7.13 C:14 16.08 -8.54 31 1 -2 32 2 -2 3 25 1 30 4 -2 30 5 -1 33 6 -2 34 7 -1 35 8 -1 9 26 2 10 15 1 27 11 -2 28 12 -2 13 14 2 13 31 1 14 37 1 33 15 -1 16 19 1 16 30 1 17 18 1 17 32 1 18 35 1 19 36 1 20 21 1 20 36 1 21 38 1 22 29 1 22 30 1 23 27 1 23 34 1 37 24 -2 38 24 -2 25 26 1 36 26 -1 27 28 1 28 33 1 29 36 1 29 37 1 31 34 1 31 35 1 32 33 1 32 34 1 35 38 1 37 38 1', '38 43 H 13.64 -9.55 H 12.34 -11.77 C 20.98 -9.90 C 19.36 -3.13 C 17.73 -3.12 C 11.84 -12.65 C 12.34 -7.84 C 14.85 -7.84 O 20.94 -7.10 O 9.00 -12.96 O 8.72 -8.55 O 8.73 -11.46 C 13.61 -7.13 C 14.84 -6.45 C 10.34 -12.60 C 19.77 -5.01 C 13.61 -11.41 C 14.84 -10.71 C 19.77 -6.45 C 18.53 -8.54 C 17.31 -9.26 C 17.31 -5.01 C 11.12 -8.54 C 17.31 -7.71 O 19.77 -9.21 C 19.76 -7.82 C 9.91 -9.26 C 9.91 -10.71 C 17.31 -6.45 C 18.53 -4.28 C 13.61 -8.54 C 12.34 -10.71 C 11.12 -11.41 C 12.34 -9.26 C 14.84 -9.26 C 18.53 -7.13 C 16.08 -7.13 C 16.08 -8.54 31 1 -2 32 2 -2 3 25 1 30 4 -2 30 5 -1 33 6 -2 34 7 -1 35 8 -1 9 26 2 10 15 1 27 11 -2 28 12 -2 13 14 2 13 31 1 14 37 1 33 15 -1 16 19 1 16 30 1 17 18 1 17 32 1 18 35 1 19 36 1 20 21 1 20 36 1 21 38 1 22 29 1 22 30 1 23 27 1 23 34 1 37 24 -2 38 24 -2 25 26 1 36 26 -1 27 28 1 28 33 1 29 36 1 29 37 1 31 34 1 31 35 1 32 33 1 32 34 1 35 38 1 37 38 1', '38 43 H 13.64 -9.55 H 12.34 -11.77 C 20.98 -9.90 C:33 19.36 -3.13 C:24 17.73 -3.12 C:22 11.84 -12.65 C:19 12.34 -7.84 C:16 14.85 -7.84 O 20.94 -7.10 O 9.00 -12.96 O 8.72 -8.55 O 8.73 -11.46 C:138 13.61 -7.13 C:120 14.84 -6.45 C:65 10.34 -12.60 C:34 19.77 -5.01 C:18 13.61 -11.41 C:37 14.84 -10.71 C:33 19.77 -6.45 C:21 18.53 -8.54 C:24 17.31 -9.26 C:41 17.31 -5.01 C:42 11.12 -8.54 C:16 17.31 -7.71 O 19.77 -9.21 C:178 19.76 -7.82 C:66 9.91 -9.26 C:74 9.91 -10.71 C:35 17.31 -6.45 C:33 18.53 -4.28 C:53 13.61 -8.54 C:48 12.34 -10.71 C:44 11.12 -11.41 C:38 12.34 -9.26 C:34 14.84 -9.26 C:45 18.53 -7.13 C:30 16.08 -7.13 C:29 16.08 -8.54 31 1 -2 32 2 -2 3 25 1 30 4 -2 30 5 -1 33 6 -2 34 7 -1 35 8 -1 9 26 2 10 15 1 27 11 -2 28 12 -2 13 14 2 13 31 1 14 37 1 33 15 -1 16 19 1 16 30 1 17 18 1 17 32 1 18 35 1 19 36 1 20 21 1 20 36 1 21 38 1 22 29 1 22 30 1 23 27 1 23 34 1 37 24 -2 38 24 -2 25 26 1 36 26 -1 27 28 1 28 33 1 29 36 1 29 37 1 31 34 1 31 35 1 32 33 1 32 34 1 35 38 1 37 38 1', 'C31H48O5', 500.345, 'C', 'A-320', 1169, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(3985, '', 'Methyl-3a-hydroxy-30-nor-olean-12,20(29)-dien-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C:20](=[CH2:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:23])([CH3:24])[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12CC(=C)CC[C@]1(C(=O)OC)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C)[C@]3([H])CC[C@]45C', '[H][C@@:41]12[CH2:47][C:148](=[CH2:107])[CH2:30][CH2:38][C@:47]1([C:178](=O)O[CH3:9999])[CH2:23][CH2:28][C@:42]5([CH3:26])[C:143]2=[CH:123][CH2:23][C@:48]4([H])[C@@:37]3([CH3:15])[CH2:33][CH2:25][C@@H:76](O)[C@:37]([CH3:28])([CH3:22])[C@:49]3([H])[CH2:18][CH2:33][C@:40]45[CH3:17]', '36 40 H 18.03 -8.03 H 13.06 -12.10 H 14.36 -9.87 C:24 11.06 -12.93 C:23 12.55 -12.98 C:27 16.82 -10.31 C:26 15.57 -8.16 C:25 13.06 -8.16 C:12 15.56 -6.75 C:11 14.33 -7.44 C:21 20.49 -5.31 C:22 20.49 -6.75 C:16 19.26 -8.86 C:6 14.33 -11.73 C:15 18.03 -9.58 C:7 15.56 -11.03 C:2 10.63 -9.58 C:19 18.03 -5.31 C:13 16.80 -7.44 C:3 10.63 -11.03 C:1 11.83 -8.86 C:20 19.26 -4.58 C:4 11.83 -11.73 C:18 18.03 -6.75 C:17 19.26 -7.44 C:5 13.06 -11.03 C:9 14.33 -8.86 C:14 16.80 -8.86 C:8 15.56 -9.58 C:10 13.06 -9.58 C:29 19.25 -3.18 C:28 20.47 -8.13 O 20.49 -9.52 O 21.68 -7.41 C:28001 21.71 -10.21 O 9.44 -11.77 24 1 -1 26 2 -2 27 3 -2 23 4 -1 23 5 -2 28 6 -2 29 7 -1 30 8 -1 9 10 1 9 19 2 10 27 1 11 12 1 11 22 1 12 25 1 13 15 1 13 25 1 14 16 1 14 26 1 15 28 1 16 29 1 17 20 1 17 21 1 18 22 1 18 24 1 19 24 1 19 28 1 20 23 1 21 30 1 23 26 1 24 25 1 26 30 1 27 29 1 27 30 1 28 29 1 22 31 2 25 32 -1 32 33 1 32 34 2 33 35 1 20 36 -2', '36 40 H 18.03 -8.03 H 13.06 -12.10 H 14.36 -9.87 C 11.06 -12.93 C 12.55 -12.98 C 16.82 -10.31 C 15.57 -8.16 C 13.06 -8.16 C 15.56 -6.75 C 14.33 -7.44 C 20.49 -5.31 C 20.49 -6.75 C 19.26 -8.86 C 14.33 -11.73 C 18.03 -9.58 C 15.56 -11.03 C 10.63 -9.58 C 18.03 -5.31 C 16.80 -7.44 C 10.63 -11.03 C 11.83 -8.86 C 19.26 -4.58 C 11.83 -11.73 C 18.03 -6.75 C 19.26 -7.44 C 13.06 -11.03 C 14.33 -8.86 C 16.80 -8.86 C 15.56 -9.58 C 13.06 -9.58 C 19.25 -3.18 C 20.47 -8.13 O 20.49 -9.52 O 21.68 -7.41 C 21.71 -10.21 O 9.44 -11.77 24 1 -1 26 2 -2 27 3 -2 23 4 -1 23 5 -2 28 6 -2 29 7 -1 30 8 -1 9 10 1 9 19 2 10 27 1 11 12 1 11 22 1 12 25 1 13 15 1 13 25 1 14 16 1 14 26 1 15 28 1 16 29 1 17 20 1 17 21 1 18 22 1 18 24 1 19 24 1 19 28 1 20 23 1 21 30 1 23 26 1 24 25 1 26 30 1 27 29 1 27 30 1 28 29 1 22 31 2 25 32 -1 32 33 1 32 34 2 33 35 1 20 36 -2', '36 40 H 18.03 -8.03 H 13.06 -12.10 H 14.36 -9.87 C:22 11.06 -12.93 C:28 12.55 -12.98 C:26 16.82 -10.31 C:17 15.57 -8.16 C:15 13.06 -8.16 C:123 15.56 -6.75 C:23 14.33 -7.44 C:30 20.49 -5.31 C:38 20.49 -6.75 C:23 19.26 -8.86 C:18 14.33 -11.73 C:28 18.03 -9.58 C:33 15.56 -11.03 C:25 10.63 -9.58 C:47 18.03 -5.31 C:143 16.80 -7.44 C:76 10.63 -11.03 C:33 11.83 -8.86 C:148 19.26 -4.58 C:37 11.83 -11.73 C:41 18.03 -6.75 C:47 19.26 -7.44 C:49 13.06 -11.03 C:48 14.33 -8.86 C:42 16.80 -8.86 C:40 15.56 -9.58 C:37 13.06 -9.58 C:107 19.25 -3.18 C:178 20.47 -8.13 O 20.49 -9.52 O 21.68 -7.41 C 21.71 -10.21 O 9.44 -11.77 24 1 -1 26 2 -2 27 3 -2 23 4 -1 23 5 -2 28 6 -2 29 7 -1 30 8 -1 9 10 1 9 19 2 10 27 1 11 12 1 11 22 1 12 25 1 13 15 1 13 25 1 14 16 1 14 26 1 15 28 1 16 29 1 17 20 1 17 21 1 18 22 1 18 24 1 19 24 1 19 28 1 20 23 1 21 30 1 23 26 1 24 25 1 26 30 1 27 29 1 27 30 1 28 29 1 22 31 2 25 32 -1 32 33 1 32 34 2 33 35 1 20 36 -2', 'C30H46O3', 454.343, 'C', 'A-334', 951, '', '', '3', 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
(3986, '', '3b,23-Dihydroxy-30-nor-olean-12,20(29)-dien-28-oic acid', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C:20](=[CH2:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O)[CH2:16][CH2:15][C@:14]5([CH3:27])[C:13]2=[CH:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:24])([CH2:23]O)[C@:5]3([H])[CH2:6][CH2:7][C@:8]45[CH3:26]', '[H][C@@]12CC(=C)CC[C@]1(C(=O)O)CC[C@]5(C)C2=CC[C@]4([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@]45C', '[H][C@@:48]12[CH2:42][C:149](=[CH2:107])[CH2:38][CH2:30][C@:47]1([C:180](=O)O)[CH2:24][CH2:28][C@:42]5([CH3:26])[C:145]2=[CH:123][CH2:24][C@:48]4([H])[C@@:37]3([CH3:16])[CH2:39][CH2:28][C@H:74](O)[C@@:43]([CH3:13])([CH2:68]O)[C@:49]3([H])[CH2:19][CH2:33][C@:40]45[CH3:18]', '36 40 H 18.03 -7.41 H 14.36 -9.25 H 13.06 -11.48 C:29 19.25 -2.56 C:23 12.55 -12.36 C:24 11.06 -12.31 C:27 16.82 -9.69 C:25 13.06 -7.54 C:26 15.57 -7.54 O 21.69 -6.79 O 9.44 -11.15 C:12 15.56 -6.13 C:21 20.50 -4.69 C:11 14.33 -6.82 C:2 10.63 -8.96 C:22 20.50 -6.13 C:6 14.33 -11.11 C:15 18.03 -8.96 C:1 11.83 -8.24 C:7 15.56 -10.41 C:16 19.26 -8.24 C:19 18.03 -4.69 O 20.50 -8.90 C:20 19.26 -3.96 C:28 20.48 -7.51 C:13 16.80 -6.82 C:3 10.63 -10.41 C:4 11.83 -11.11 C:18 18.03 -6.13 C:9 14.33 -8.24 C:5 13.06 -10.41 C:14 16.80 -8.24 C:10 13.06 -8.96 C:8 15.56 -8.96 C:17 19.26 -6.82 O 11.85 -13.57 29 1 -1 30 2 -2 31 3 -2 4 24 2 28 5 -2 28 6 -1 32 7 -2 33 8 -1 34 9 -1 10 25 2 27 11 -1 12 14 1 12 26 2 13 16 1 13 24 1 14 30 1 15 19 1 15 27 1 16 35 1 17 20 1 17 31 1 18 21 1 18 32 1 19 33 1 20 34 1 21 35 1 22 24 1 22 29 1 23 25 1 35 25 -1 26 29 1 26 32 1 27 28 1 28 31 1 29 35 1 30 33 1 30 34 1 31 33 1 32 34 1 5 36 1', '36 40 H 18.03 -7.41 H 14.36 -9.25 H 13.06 -11.48 C 19.25 -2.56 C 12.55 -12.36 C 11.06 -12.31 C 16.82 -9.69 C 13.06 -7.54 C 15.57 -7.54 O 21.69 -6.79 O 9.44 -11.15 C 15.56 -6.13 C 20.50 -4.69 C 14.33 -6.82 C 10.63 -8.96 C 20.50 -6.13 C 14.33 -11.11 C 18.03 -8.96 C 11.83 -8.24 C 15.56 -10.41 C 19.26 -8.24 C 18.03 -4.69 O 20.50 -8.90 C 19.26 -3.96 C 20.48 -7.51 C 16.80 -6.82 C 10.63 -10.41 C 11.83 -11.11 C 18.03 -6.13 C 14.33 -8.24 C 13.06 -10.41 C 16.80 -8.24 C 13.06 -8.96 C 15.56 -8.96 C 19.26 -6.82 O 11.85 -13.57 29 1 -1 30 2 -2 31 3 -2 4 24 2 28 5 -2 28 6 -1 32 7 -2 33 8 -1 34 9 -1 10 25 2 27 11 -1 12 14 1 12 26 2 13 16 1 13 24 1 14 30 1 15 19 1 15 27 1 16 35 1 17 20 1 17 31 1 18 21 1 18 32 1 19 33 1 20 34 1 21 35 1 22 24 1 22 29 1 23 25 1 35 25 -1 26 29 1 26 32 1 27 28 1 28 31 1 29 35 1 30 33 1 30 34 1 31 33 1 32 34 1 5 36 1', '36 40 H 18.03 -7.41 H 14.36 -9.25 H 13.06 -11.48 C:107 19.25 -2.56 C:68 12.55 -12.36 C:13 11.06 -12.31 C:26 16.82 -9.69 C:16 13.06 -7.54 C:18 15.57 -7.54 O 21.69 -6.79 O 9.44 -11.15 C:123 15.56 -6.13 C:38 20.50 -4.69 C:24 14.33 -6.82 C:28 10.63 -8.96 C:30 20.50 -6.13 C:19 14.33 -11.11 C:28 18.03 -8.96 C:39 11.83 -8.24 C:33 15.56 -10.41 C:24 19.26 -8.24 C:42 18.03 -4.69 O 20.50 -8.90 C:149 19.26 -3.96 C:180 20.48 -7.51 C:145 16.80 -6.82 C:74 10.63 -10.41 C:43 11.83 -11.11 C:48 18.03 -6.13 C:48 14.33 -8.24 C:49 13.06 -10.41 C:42 16.80 -8.24 C:37 13.06 -8.96 C:40 15.56 -8.96 C:47 19.26 -6.82 O 11.85 -13.57 29 1 -1 30 2 -2 31 3 -2 4 24 2 28 5 -2 28 6 -1 32 7 -2 33 8 -1 34 9 -1 10 25 2 27 11 -1 12 14 1 12 26 2 13 16 1 13 24 1 14 30 1 15 19 1 15 27 1 16 35 1 17 20 1 17 31 1 18 21 1 18 32 1 19 33 1 20 34 1 21 35 1 22 24 1 22 29 1 23 25 1 35 25 -1 26 29 1 26 32 1 27 28 1 28 31 1 29 35 1 30 33 1 30 34 1 31 33 1 32 34 1 5 36 1', 'C29H44O4', 456.332, 'P', 'A-336', 952, '', '', '3', 1, NULL, NULL),
(3987, 'Larreagenin-A', 'Methyl-3b,20-Dihydroxy-29-nor-olean-12-en-28-oate', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]12[CH2:19][C@:20]([CH3:30])(O)[CH2:21][CH2:22][C@:17]1([C:28](=O)O[CH3:28001])[CH2:16][CH2:15][C@:14]3([CH3:27])[C:13]2=[CH:12][CH2:11][C@@:9]4([H])[C@@:8]3([CH3:26])[CH2:7][CH2:6][C@@:5]5([H])[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[CH2:2][CH2:1][C@:10]45[CH3:25]', '[H][C@@]12C[C@](C)(O)CC[C@]1(C(=O)OC)CC[C@]3(C)C2=CC[C@@]4([H])[C@@]3(C)CC[C@@]5([H])[C@@](C)(C)[C@@H](O)CC[C@]45C', '[H][C@@:44]12[CH2:47][C@:71]([CH3:26])(O)[CH2:35][CH2:33][C@:47]1([C:178](=O)O[CH3:9999])[CH2:23][CH2:28][C@:42]3([CH3:25])[C:143]2=[CH:123][CH2:23][C@@:48]4([H])[C@@:39]3([CH3:17])[CH2:34][CH2:18][C@@:55]5([H])[C@@:39]([CH3:28])([CH3:15])[C@@H:79](O)[CH2:27][CH2:38][C@:37]45[CH3:16]', '37 41 H 18.01 -10.98 H 14.33 -12.82 H 13.04 -15.05 C:28001 21.69 -13.16 C:30 18.44 -6.37 C:23 12.53 -15.93 C:24 11.04 -15.88 C:27 16.80 -13.26 C:26 15.55 -11.11 C:25 13.04 -11.11 O 21.66 -10.37 O 9.42 -14.73 O 20.07 -6.42 C:12 15.54 -9.71 C:2 10.61 -12.53 C:11 14.30 -10.40 C:1 11.81 -11.80 C:21 20.47 -8.27 C:15 18.01 -12.53 C:6 14.30 -14.68 C:7 15.55 -13.98 C:22 20.47 -9.71 C:16 19.24 -11.80 C:19 18.01 -8.27 O 20.46 -12.48 C:28 20.46 -11.09 C:13 16.78 -10.40 C:3 10.61 -13.98 C:20 19.24 -7.54 C:4 11.81 -14.68 C:18 18.01 -9.71 C:14 16.78 -11.80 C:9 14.30 -11.80 C:5 13.04 -13.98 C:8 15.55 -12.53 C:10 13.04 -12.53 C:17 19.24 -10.40 31 1 -1 33 2 -2 34 3 -2 4 25 1 29 5 -1 30 6 -2 30 7 -1 32 8 -2 35 9 -1 36 10 -1 11 26 2 28 12 -1 29 13 -2 14 16 1 14 27 2 15 17 1 15 28 1 16 33 1 17 36 1 18 22 1 18 29 1 19 23 1 19 32 1 20 21 1 20 34 1 21 35 1 22 37 1 23 37 1 24 29 1 24 31 1 25 26 1 37 26 -1 27 31 1 27 32 1 28 30 1 30 34 1 31 37 1 32 35 1 33 35 1 33 36 1 34 36 1', '37 41 H 18.01 -10.98 H 14.33 -12.82 H 13.04 -15.05 C 21.69 -13.16 C 18.44 -6.37 C 12.53 -15.93 C 11.04 -15.88 C 16.80 -13.26 C 15.55 -11.11 C 13.04 -11.11 O 21.66 -10.37 O 9.42 -14.73 O 20.07 -6.42 C 15.54 -9.71 C 10.61 -12.53 C 14.30 -10.40 C 11.81 -11.80 C 20.47 -8.27 C 18.01 -12.53 C 14.30 -14.68 C 15.55 -13.98 C 20.47 -9.71 C 19.24 -11.80 C 18.01 -8.27 O 20.46 -12.48 C 20.46 -11.09 C 16.78 -10.40 C 10.61 -13.98 C 19.24 -7.54 C 11.81 -14.68 C 18.01 -9.71 C 16.78 -11.80 C 14.30 -11.80 C 13.04 -13.98 C 15.55 -12.53 C 13.04 -12.53 C 19.24 -10.40 31 1 -1 33 2 -2 34 3 -2 4 25 1 29 5 -1 30 6 -2 30 7 -1 32 8 -2 35 9 -1 36 10 -1 11 26 2 28 12 -1 29 13 -2 14 16 1 14 27 2 15 17 1 15 28 1 16 33 1 17 36 1 18 22 1 18 29 1 19 23 1 19 32 1 20 21 1 20 34 1 21 35 1 22 37 1 23 37 1 24 29 1 24 31 1 25 26 1 37 26 -1 27 31 1 27 32 1 28 30 1 30 34 1 31 37 1 32 35 1 33 35 1 33 36 1 34 36 1', '37 41 H 18.01 -10.98 H 14.33 -12.82 H 13.04 -15.05 C 21.69 -13.16 C:26 18.44 -6.37 C:28 12.53 -15.93 C:15 11.04 -15.88 C:25 16.80 -13.26 C:17 15.55 -11.11 C:16 13.04 -11.11 O 21.66 -10.37 O 9.42 -14.73 O 20.07 -6.42 C:123 15.54 -9.71 C:27 10.61 -12.53 C:23 14.30 -10.40 C:38 11.81 -11.80 C:35 20.47 -8.27 C:28 18.01 -12.53 C:18 14.30 -14.68 C:34 15.55 -13.98 C:33 20.47 -9.71 C:23 19.24 -11.80 C:47 18.01 -8.27 O 20.46 -12.48 C:178 20.46 -11.09 C:143 16.78 -10.40 C:79 10.61 -13.98 C:71 19.24 -7.54 C:39 11.81 -14.68 C:44 18.01 -9.71 C:42 16.78 -11.80 C:48 14.30 -11.80 C:55 13.04 -13.98 C:39 15.55 -12.53 C:37 13.04 -12.53 C:47 19.24 -10.40 31 1 -1 33 2 -2 34 3 -2 4 25 1 29 5 -1 30 6 -2 30 7 -1 32 8 -2 35 9 -1 36 10 -1 11 26 2 28 12 -1 29 13 -2 14 16 1 14 27 2 15 17 1 15 28 1 16 33 1 17 36 1 18 22 1 18 29 1 19 23 1 19 32 1 20 21 1 20 34 1 21 35 1 22 37 1 23 37 1 24 29 1 24 31 1 25 26 1 37 26 -1 27 31 1 27 32 1 28 30 1 30 34 1 31 37 1 32 35 1 33 35 1 33 36 1 34 36 1', 'C30H48O4', 472.342, 'C', 'A-337', 142, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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