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
(8140, 'Glabcensin W', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)CC[C@H](OC(C)=O)[C@@]3(C)C)C(=C)C4=O', '[H][C@:44]23[C@@H:70](O[C:170]([CH3:22])=O)[C@H:71](O[C:169]([CH3:21])=O)[C@@:49]14[CH2:34][C@H:37]([CH2:38][C@H:68](O[C:169]([CH3:21])=O)[C@@:56]1([H])[C@:39]2([CH3:19])[CH2:36][CH2:23][C@H:78](O[C:170]([CH3:22])=O)[C@@:37]3([CH3:28])[CH3:23])[C:150](=[CH2:113])[C:205]4=O', '39 42 H 15.54 -13.20 H 16.76 -11.07 C:17 21.74 -9.34 C:3002 9.44 -12.83 C:11002 14.35 -5.88 C:6002 15.51 -16.41 C:7002 20.42 -14.97 C:18 15.26 -13.96 C:19 13.28 -13.87 C:20 15.52 -9.39 O 10.63 -10.75 O 16.76 -5.90 O 14.33 -14.30 O 17.99 -14.95 O 20.13 -12.36 C:2 13.08 -10.79 C:1 14.29 -10.08 C:12 17.99 -7.95 C:14 19.20 -10.08 O 11.86 -12.87 O 15.54 -7.99 O 16.75 -14.32 O 19.22 -12.86 C:3001 10.66 -12.15 C:11001 15.55 -6.59 C:6001 15.53 -15.01 C:7001 19.21 -14.26 C:16 20.36 -9.67 C:15 19.56 -11.09 C:13 19.20 -8.67 C:3 13.08 -12.19 C:11 16.76 -8.67 C:6 16.76 -12.92 C:7 17.99 -12.19 C:4 14.29 -12.92 C:5 15.52 -12.19 C:9 16.76 -10.08 C:10 15.52 -10.79 C:8 17.99 -10.79 36 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 35 9 -2 38 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 16 17 1 16 31 1 17 38 1 18 30 1 18 32 1 30 19 -2 39 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -2 23 27 1 34 23 -1 28 29 1 28 30 1 29 39 1 31 35 1 32 37 1 33 34 1 33 36 1 34 39 1 35 36 1 36 38 1 37 38 1 37 39 1', '39 42 H 15.54 -13.20 H 16.76 -11.07 C 21.74 -9.34 C 9.44 -12.83 C 14.35 -5.88 C 15.51 -16.41 C 20.42 -14.97 C 15.26 -13.96 C 13.28 -13.87 C 15.52 -9.39 O 10.63 -10.75 O 16.76 -5.90 O 14.33 -14.30 O 17.99 -14.95 O 20.13 -12.36 C 13.08 -10.79 C 14.29 -10.08 C 17.99 -7.95 C 19.20 -10.08 O 11.86 -12.87 O 15.54 -7.99 O 16.75 -14.32 O 19.22 -12.86 C 10.66 -12.15 C 15.55 -6.59 C 15.53 -15.01 C 19.21 -14.26 C 20.36 -9.67 C 19.56 -11.09 C 19.20 -8.67 C 13.08 -12.19 C 16.76 -8.67 C 16.76 -12.92 C 17.99 -12.19 C 14.29 -12.92 C 15.52 -12.19 C 16.76 -10.08 C 15.52 -10.79 C 17.99 -10.79 36 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 35 9 -2 38 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 16 17 1 16 31 1 17 38 1 18 30 1 18 32 1 30 19 -2 39 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -2 23 27 1 34 23 -1 28 29 1 28 30 1 29 39 1 31 35 1 32 37 1 33 34 1 33 36 1 34 39 1 35 36 1 36 38 1 37 38 1 37 39 1', '39 42 H 15.54 -13.20 H 16.76 -11.07 C:113 21.74 -9.34 C:22 9.44 -12.83 C:21 14.35 -5.88 C:22 15.51 -16.41 C:21 20.42 -14.97 C:28 15.26 -13.96 C:23 13.28 -13.87 C:19 15.52 -9.39 O 10.63 -10.75 O 16.76 -5.90 O 14.33 -14.30 O 17.99 -14.95 O 20.13 -12.36 C:23 13.08 -10.79 C:36 14.29 -10.08 C:38 17.99 -7.95 C:34 19.20 -10.08 O 11.86 -12.87 O 15.54 -7.99 O 16.75 -14.32 O 19.22 -12.86 C:170 10.66 -12.15 C:169 15.55 -6.59 C:170 15.53 -15.01 C:169 19.21 -14.26 C:150 20.36 -9.67 C:205 19.56 -11.09 C:37 19.20 -8.67 C:78 13.08 -12.19 C:68 16.76 -8.67 C:70 16.76 -12.92 C:71 17.99 -12.19 C:37 14.29 -12.92 C:44 15.52 -12.19 C:56 16.76 -10.08 C:39 15.52 -10.79 C:49 17.99 -10.79 36 1 -1 37 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 35 9 -2 38 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 16 17 1 16 31 1 17 38 1 18 30 1 18 32 1 30 19 -2 39 19 -2 20 24 1 31 20 -1 21 25 1 32 21 -1 22 26 1 33 22 -2 23 27 1 34 23 -1 28 29 1 28 30 1 29 39 1 31 35 1 32 37 1 33 34 1 33 36 1 34 39 1 35 36 1 36 38 1 37 38 1 37 39 1', 'C28H38O9', 518.31, 'P', 'ph50_123_2', 2581, '', '', '1', 36, NULL, NULL),
(8141, 'Glabcensin X', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23C(=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)CC[C@H](O)[C@@]3(C)C)C(=C)C4=O', '[H][C@:54]23[C:202](=O)[C@H:81](O[C:170]([CH3:21])=O)[C@@:46]14[CH2:33][C@H:37]([CH2:40][C@H:68](O[C:169]([CH3:21])=O)[C@@:57]1([H])[C@:46]2([CH3:19])[CH2:34][CH2:26][C@H:75](O)[C@@:39]3([CH3:28])[CH3:23])[C:151](=[CH2:114])[C:202]4=O', '33 36 H 14.30 -13.92 H 15.52 -11.79 C:17 20.50 -10.06 C:11002 13.06 -6.63 C:7002 19.18 -15.69 C:18 14.02 -14.68 C:19 12.04 -14.59 C:20 14.28 -10.11 O 15.48 -6.59 O 16.75 -15.67 O 18.89 -13.08 O 15.51 -15.04 O 10.62 -13.59 C:2 11.84 -11.51 C:1 13.05 -10.80 C:12 16.75 -8.67 C:14 17.96 -10.80 O 14.30 -8.71 O 17.98 -13.58 C:11001 14.28 -7.31 C:7001 17.97 -14.98 C:16 19.12 -10.39 C:15 18.32 -11.81 C:6 15.52 -13.64 C:13 17.96 -9.39 C:3 11.84 -12.91 C:11 15.52 -9.39 C:7 16.75 -12.91 C:4 13.05 -13.64 C:5 14.28 -12.91 C:9 15.52 -10.80 C:10 14.28 -11.51 C:8 16.75 -11.51 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -1 29 7 -2 32 8 -2 9 20 2 10 21 2 11 23 2 12 24 2 26 13 -1 14 15 1 14 26 1 15 32 1 16 25 1 16 27 1 25 17 -2 33 17 -2 18 20 1 27 18 -1 19 21 1 28 19 -1 22 23 1 22 25 1 23 33 1 24 28 1 24 30 1 26 29 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 14.30 -13.92 H 15.52 -11.79 C 20.50 -10.06 C 13.06 -6.63 C 19.18 -15.69 C 14.02 -14.68 C 12.04 -14.59 C 14.28 -10.11 O 15.48 -6.59 O 16.75 -15.67 O 18.89 -13.08 O 15.51 -15.04 O 10.62 -13.59 C 11.84 -11.51 C 13.05 -10.80 C 16.75 -8.67 C 17.96 -10.80 O 14.30 -8.71 O 17.98 -13.58 C 14.28 -7.31 C 17.97 -14.98 C 19.12 -10.39 C 18.32 -11.81 C 15.52 -13.64 C 17.96 -9.39 C 11.84 -12.91 C 15.52 -9.39 C 16.75 -12.91 C 13.05 -13.64 C 14.28 -12.91 C 15.52 -10.80 C 14.28 -11.51 C 16.75 -11.51 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -1 29 7 -2 32 8 -2 9 20 2 10 21 2 11 23 2 12 24 2 26 13 -1 14 15 1 14 26 1 15 32 1 16 25 1 16 27 1 25 17 -2 33 17 -2 18 20 1 27 18 -1 19 21 1 28 19 -1 22 23 1 22 25 1 23 33 1 24 28 1 24 30 1 26 29 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 14.30 -13.92 H 15.52 -11.79 C:114 20.50 -10.06 C:21 13.06 -6.63 C:21 19.18 -15.69 C:28 14.02 -14.68 C:23 12.04 -14.59 C:19 14.28 -10.11 O 15.48 -6.59 O 16.75 -15.67 O 18.89 -13.08 O 15.51 -15.04 O 10.62 -13.59 C:26 11.84 -11.51 C:34 13.05 -10.80 C:40 16.75 -8.67 C:33 17.96 -10.80 O 14.30 -8.71 O 17.98 -13.58 C:169 14.28 -7.31 C:170 17.97 -14.98 C:151 19.12 -10.39 C:202 18.32 -11.81 C:202 15.52 -13.64 C:37 17.96 -9.39 C:75 11.84 -12.91 C:68 15.52 -9.39 C:81 16.75 -12.91 C:39 13.05 -13.64 C:54 14.28 -12.91 C:57 15.52 -10.80 C:46 14.28 -11.51 C:46 16.75 -11.51 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -1 29 7 -2 32 8 -2 9 20 2 10 21 2 11 23 2 12 24 2 26 13 -1 14 15 1 14 26 1 15 32 1 16 25 1 16 27 1 25 17 -2 33 17 -2 18 20 1 27 18 -1 19 21 1 28 19 -1 22 23 1 22 25 1 23 33 1 24 28 1 24 30 1 26 29 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', 'C24H32O7', 432.268, 'P', 'ph50_123_3', 2581, '', '', '1', 36, NULL, NULL),
(8142, 'Glabcensin Y', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C:16](=[CH2:17])[C@H:15]4O', '[H][C@]23C(=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](OC(C)=O)[C@@]1([H])[C@]2(C)CC[C@H](O)[C@]3(C)C)C(=C)[C@H]4O', '[H][C@:50]23[C:208](=O)[C@H:84](O[C:170]([CH3:21])=O)[C@@:51]14[CH2:37][C@H:37]([CH2:40][C@H:69](O[C:169]([CH3:9999])=O)[C@@:55]1([H])[C@:44]2([CH3:19])[CH2:34][CH2:26][C@H:75](O)[C@:37]3([CH3:23])[CH3:28])[C:158](=[CH2:107])[C@H:80]4O', '33 36 H 14.30 -13.92 H 15.52 -11.79 C:17 20.50 -10.06 C:11002 13.06 -6.63 C:7002 19.18 -15.69 C:19 12.04 -14.59 C:18 14.02 -14.68 C:20 14.28 -10.11 O 15.48 -6.59 O 16.75 -15.67 O 15.51 -15.04 O 10.62 -13.59 O 18.89 -13.08 C:2 11.84 -11.51 C:1 13.05 -10.80 C:12 16.75 -8.67 C:14 17.96 -10.80 O 14.30 -8.71 O 17.98 -13.58 C:11001 14.28 -7.31 C:7001 17.97 -14.98 C:16 19.12 -10.39 C:6 15.52 -13.64 C:13 17.96 -9.39 C:3 11.84 -12.91 C:15 18.32 -11.81 C:11 15.52 -9.39 C:7 16.75 -12.91 C:4 13.05 -13.64 C:5 14.28 -12.91 C:9 15.52 -10.80 C:10 14.28 -11.51 C:8 16.75 -11.51 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -2 29 7 -1 32 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 26 13 -1 14 15 1 14 25 1 15 32 1 16 24 1 16 27 1 24 17 -2 33 17 -2 18 20 1 27 18 -1 19 21 1 28 19 -1 22 24 1 22 26 1 23 28 1 23 30 1 25 29 1 26 33 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 14.30 -13.92 H 15.52 -11.79 C 20.50 -10.06 C 13.06 -6.63 C 19.18 -15.69 C 12.04 -14.59 C 14.02 -14.68 C 14.28 -10.11 O 15.48 -6.59 O 16.75 -15.67 O 15.51 -15.04 O 10.62 -13.59 O 18.89 -13.08 C 11.84 -11.51 C 13.05 -10.80 C 16.75 -8.67 C 17.96 -10.80 O 14.30 -8.71 O 17.98 -13.58 C 14.28 -7.31 C 17.97 -14.98 C 19.12 -10.39 C 15.52 -13.64 C 17.96 -9.39 C 11.84 -12.91 C 18.32 -11.81 C 15.52 -9.39 C 16.75 -12.91 C 13.05 -13.64 C 14.28 -12.91 C 15.52 -10.80 C 14.28 -11.51 C 16.75 -11.51 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -2 29 7 -1 32 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 26 13 -1 14 15 1 14 25 1 15 32 1 16 24 1 16 27 1 24 17 -2 33 17 -2 18 20 1 27 18 -1 19 21 1 28 19 -1 22 24 1 22 26 1 23 28 1 23 30 1 25 29 1 26 33 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', '33 36 H 14.30 -13.92 H 15.52 -11.79 C:107 20.50 -10.06 C 13.06 -6.63 C:21 19.18 -15.69 C:23 12.04 -14.59 C:28 14.02 -14.68 C:19 14.28 -10.11 O 15.48 -6.59 O 16.75 -15.67 O 15.51 -15.04 O 10.62 -13.59 O 18.89 -13.08 C:26 11.84 -11.51 C:34 13.05 -10.80 C:40 16.75 -8.67 C:37 17.96 -10.80 O 14.30 -8.71 O 17.98 -13.58 C:169 14.28 -7.31 C:170 17.97 -14.98 C:158 19.12 -10.39 C:208 15.52 -13.64 C:37 17.96 -9.39 C:75 11.84 -12.91 C:80 18.32 -11.81 C:69 15.52 -9.39 C:84 16.75 -12.91 C:37 13.05 -13.64 C:50 14.28 -12.91 C:55 15.52 -10.80 C:44 14.28 -11.51 C:51 16.75 -11.51 30 1 -1 31 2 -1 3 22 2 4 20 1 5 21 1 29 6 -2 29 7 -1 32 8 -2 9 20 2 10 21 2 11 23 2 25 12 -1 26 13 -1 14 15 1 14 25 1 15 32 1 16 24 1 16 27 1 24 17 -2 33 17 -2 18 20 1 27 18 -1 19 21 1 28 19 -1 22 24 1 22 26 1 23 28 1 23 30 1 25 29 1 26 33 1 27 31 1 28 33 1 29 30 1 30 32 1 31 32 1 31 33 1', 'C24H34O7', 434.268, 'P', 'ph50_123_4', 2581, '', '', '1', 36, NULL, NULL),
(8143, 'Dowoensin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C:15](=O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@@:10]34[CH3:20]', '[H][C@@]13[C@@H](O)C[C@H]2C[C@]1(C(=O)C2=C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]4([H])[C@@](C)(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]34C', '[H][C@@:59]13[C@@H:65](O)[CH2:41][C@H:37]2[CH2:36][C@:48]1([C:205](=O)[C:151]2=[CH2:111])[C@@H:71](O[C:9999]([CH3:9999])=O)[C@H:70](O[C:170]([CH3:21])=O)[C@:44]4([H])[C@@:37]([CH3:23])([CH3:28])[C@@H:78](O[C:170]([CH3:21])=O)[CH2:21][C@H:36](O[C:170]([CH3:22])=O)[C@@:38]34[CH3:19]', '40 43 H 16.76 -10.73 H 15.54 -12.86 C:17 21.74 -9.00 C:3002 9.44 -12.49 C:1002 13.07 -6.27 C:6002 15.51 -16.07 C:7002 20.42 -14.63 C:19 13.28 -13.53 C:18 15.26 -13.62 C:20 15.52 -9.05 O 10.63 -10.41 O 11.83 -8.37 O 14.33 -13.96 O 17.99 -14.61 O 20.13 -12.02 O 15.54 -7.65 C:12 17.99 -7.61 C:2 13.08 -10.45 C:14 19.20 -9.74 O 11.86 -12.53 O 14.27 -8.34 O 16.75 -13.98 O 19.22 -12.52 C:3001 10.66 -11.81 C:1001 13.04 -7.67 C:6001 15.53 -14.67 C:7001 19.21 -13.92 C:16 20.36 -9.33 C:15 19.56 -10.75 C:13 19.20 -8.33 C:11 16.76 -8.33 C:3 13.08 -11.85 C:1 14.29 -9.74 C:6 16.76 -12.58 C:7 17.99 -11.85 C:4 14.29 -12.58 C:9 16.76 -9.74 C:5 15.52 -11.85 C:10 15.52 -10.45 C:8 17.99 -10.45 37 1 -1 38 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -2 36 9 -1 39 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 31 16 -1 17 30 1 17 31 1 18 32 1 18 33 1 30 19 -2 40 19 -2 20 24 1 32 20 -1 21 25 1 33 21 -2 22 26 1 34 22 -2 23 27 1 35 23 -1 28 29 1 28 30 1 29 40 1 31 37 1 32 36 1 33 39 1 34 35 1 34 38 1 35 40 1 36 38 1 37 39 1 37 40 1 38 39 1', '40 43 H 16.76 -10.73 H 15.54 -12.86 C 21.74 -9.00 C 9.44 -12.49 C 13.07 -6.27 C 15.51 -16.07 C 20.42 -14.63 C 13.28 -13.53 C 15.26 -13.62 C 15.52 -9.05 O 10.63 -10.41 O 11.83 -8.37 O 14.33 -13.96 O 17.99 -14.61 O 20.13 -12.02 O 15.54 -7.65 C 17.99 -7.61 C 13.08 -10.45 C 19.20 -9.74 O 11.86 -12.53 O 14.27 -8.34 O 16.75 -13.98 O 19.22 -12.52 C 10.66 -11.81 C 13.04 -7.67 C 15.53 -14.67 C 19.21 -13.92 C 20.36 -9.33 C 19.56 -10.75 C 19.20 -8.33 C 16.76 -8.33 C 13.08 -11.85 C 14.29 -9.74 C 16.76 -12.58 C 17.99 -11.85 C 14.29 -12.58 C 16.76 -9.74 C 15.52 -11.85 C 15.52 -10.45 C 17.99 -10.45 37 1 -1 38 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -2 36 9 -1 39 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 31 16 -1 17 30 1 17 31 1 18 32 1 18 33 1 30 19 -2 40 19 -2 20 24 1 32 20 -1 21 25 1 33 21 -2 22 26 1 34 22 -2 23 27 1 35 23 -1 28 29 1 28 30 1 29 40 1 31 37 1 32 36 1 33 39 1 34 35 1 34 38 1 35 40 1 36 38 1 37 39 1 37 40 1 38 39 1', '40 43 H 16.76 -10.73 H 15.54 -12.86 C:111 21.74 -9.00 C:21 9.44 -12.49 C:22 13.07 -6.27 C:21 15.51 -16.07 C 20.42 -14.63 C:23 13.28 -13.53 C:28 15.26 -13.62 C:19 15.52 -9.05 O 10.63 -10.41 O 11.83 -8.37 O 14.33 -13.96 O 17.99 -14.61 O 20.13 -12.02 O 15.54 -7.65 C:41 17.99 -7.61 C:21 13.08 -10.45 C:36 19.20 -9.74 O 11.86 -12.53 O 14.27 -8.34 O 16.75 -13.98 O 19.22 -12.52 C:170 10.66 -11.81 C:170 13.04 -7.67 C:170 15.53 -14.67 C 19.21 -13.92 C:151 20.36 -9.33 C:205 19.56 -10.75 C:37 19.20 -8.33 C:65 16.76 -8.33 C:78 13.08 -11.85 C:36 14.29 -9.74 C:70 16.76 -12.58 C:71 17.99 -11.85 C:37 14.29 -12.58 C:59 16.76 -9.74 C:44 15.52 -11.85 C:38 15.52 -10.45 C:48 17.99 -10.45 37 1 -1 38 2 -1 3 28 2 4 24 1 5 25 1 6 26 1 7 27 1 36 8 -2 36 9 -1 39 10 -2 11 24 2 12 25 2 13 26 2 14 27 2 15 29 2 31 16 -1 17 30 1 17 31 1 18 32 1 18 33 1 30 19 -2 40 19 -2 20 24 1 32 20 -1 21 25 1 33 21 -2 22 26 1 34 22 -2 23 27 1 35 23 -1 28 29 1 28 30 1 29 40 1 31 37 1 32 36 1 33 39 1 34 35 1 34 38 1 35 40 1 36 38 1 37 39 1 37 40 1 38 39 1', 'C28H38O10', 534.31, 'P', 'ph50_123_5', 2581, '', '', '1', 36, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(8171, 'Oreskaurin C', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][C@H:12](O)[C@H:13]2[CH2:14][C@:8]1([C@H:15](O)[C:16]2=[CH2:17])[C@:7]5(O)O[CH2:20][C@:10]34[CH2:1][CH2:2][CH2:3][C@@:4]([CH3:18])([CH3:19])[CH:5]4[C@@H:6]5O', '[H][C@@]13C[C@H](O)[C@H]2C[C@]1([C@H](O)C2=C)[C@]5(O)OC[C@]34CCC[C@@](C)(C)C4[C@@H]5O', '[H][C@@:39]13[CH2:28][C@H:77](O)[C@H:49]2[CH2:25][C@:53]1([C@H:76](O)[C:158]2=[CH2:109])[C@:97]5(O)O[CH2:66][C@:36]34[CH2:31][CH2:19][CH2:42][C@@:34]([CH3:34])([CH3:23])[CH:58]4[C@@H:74]5O', '26 30 H 15.75 -10.24 C:17 19.71 -10.14 C:18 13.49 -14.56 C:19 11.61 -14.47 O 16.13 -7.40 O 18.18 -13.09 O 14.94 -14.91 O 17.28 -13.63 C:2 11.42 -11.53 C:3 11.42 -12.86 C:1 12.56 -10.84 C:20 13.74 -10.19 C:11 14.94 -9.48 C:14 17.26 -10.84 O 14.81 -12.40 C:16 18.38 -10.45 C:12 16.11 -8.80 C:15 17.61 -11.81 C:6 14.94 -13.56 C:13 17.26 -9.48 C:5 13.74 -12.86 C:4 12.56 -13.56 C:9 14.94 -10.84 C:7 16.11 -12.86 C:10 13.74 -11.53 C:8 16.11 -11.53 23 1 -1 2 16 2 22 3 -1 22 4 -2 17 5 -2 18 6 -1 19 7 -1 24 8 -1 9 10 1 9 11 1 10 22 1 11 25 1 12 15 1 25 12 -2 13 17 1 13 23 1 20 14 -2 26 14 -2 24 15 -2 16 18 1 16 20 1 17 20 1 18 26 1 19 21 1 19 24 1 21 22 1 21 25 1 23 25 1 23 26 1 24 26 1', '26 30 H 15.75 -10.24 C 19.71 -10.14 C 13.49 -14.56 C 11.61 -14.47 O 16.13 -7.40 O 18.18 -13.09 O 14.94 -14.91 O 17.28 -13.63 C 11.42 -11.53 C 11.42 -12.86 C 12.56 -10.84 C 13.74 -10.19 C 14.94 -9.48 C 17.26 -10.84 O 14.81 -12.40 C 18.38 -10.45 C 16.11 -8.80 C 17.61 -11.81 C 14.94 -13.56 C 17.26 -9.48 C 13.74 -12.86 C 12.56 -13.56 C 14.94 -10.84 C 16.11 -12.86 C 13.74 -11.53 C 16.11 -11.53 23 1 -1 2 16 2 22 3 -1 22 4 -2 17 5 -2 18 6 -1 19 7 -1 24 8 -1 9 10 1 9 11 1 10 22 1 11 25 1 12 15 1 25 12 -2 13 17 1 13 23 1 20 14 -2 26 14 -2 24 15 -2 16 18 1 16 20 1 17 20 1 18 26 1 19 21 1 19 24 1 21 22 1 21 25 1 23 25 1 23 26 1 24 26 1', '26 30 H 15.75 -10.24 C:109 19.71 -10.14 C:34 13.49 -14.56 C:23 11.61 -14.47 O 16.13 -7.40 O 18.18 -13.09 O 14.94 -14.91 O 17.28 -13.63 C:19 11.42 -11.53 C:42 11.42 -12.86 C:31 12.56 -10.84 C:66 13.74 -10.19 C:28 14.94 -9.48 C:25 17.26 -10.84 O 14.81 -12.40 C:158 18.38 -10.45 C:77 16.11 -8.80 C:76 17.61 -11.81 C:74 14.94 -13.56 C:49 17.26 -9.48 C:58 13.74 -12.86 C:34 12.56 -13.56 C:39 14.94 -10.84 C:97 16.11 -12.86 C:36 13.74 -11.53 C:53 16.11 -11.53 23 1 -1 2 16 2 22 3 -1 22 4 -2 17 5 -2 18 6 -1 19 7 -1 24 8 -1 9 10 1 9 11 1 10 22 1 11 25 1 12 15 1 25 12 -2 13 17 1 13 23 1 20 14 -2 26 14 -2 24 15 -2 16 18 1 16 20 1 17 20 1 18 26 1 19 21 1 19 24 1 21 22 1 21 25 1 23 25 1 23 26 1 24 26 1', 'C20H30O5', 350.219, 'P', 'ph65_1173_3', 2474, '', '', '1', 36, NULL, NULL),
(8172, 'Oryzadione', 'ent-15,16-Epoxy-kauran-2,3-dione', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH:1]=[C:2](O)[C:3](=O)[C@@:4]3([CH3:18])[CH3:19])[C@:16]4([CH3:17])O[C@@H:15]45', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)C=C(O)C(=O)[C@@]3(C)C)[C@]4(C)O[C@@H]45', '[H][C@:54]23[CH2:19][CH2:35][C@@:44]15[CH2:33][C@H:39]([CH2:27][CH2:18][C@@:46]1([H])[C@:40]2([CH3:22])[CH:128]=[C:144](O)[C:201](=O)[C@@:44]3([CH3:28])[CH3:22])[C@:61]4([CH3:15])O[C@@H:68]45', '25 29 H 14.30 -13.40 H 15.51 -11.27 C:18 14.02 -14.16 C:19 12.04 -14.07 C:17 20.47 -9.55 C:20 14.28 -9.60 O 10.63 -13.07 O 10.63 -10.31 C:1 13.05 -10.29 C:12 16.73 -8.17 C:11 15.51 -8.88 C:6 15.51 -13.12 C:7 16.73 -12.39 C:14 17.94 -10.29 O 19.75 -11.18 C:2 11.84 -11.00 C:3 11.84 -12.39 C:13 17.94 -8.88 C:15 18.30 -11.29 C:4 13.05 -13.12 C:5 14.30 -12.39 C:9 15.51 -10.29 C:16 19.09 -9.88 C:10 14.30 -11.00 C:8 16.73 -11.00 21 1 -1 22 2 -1 20 3 -1 20 4 -2 23 5 -1 24 6 -2 7 17 2 8 16 1 9 16 2 9 24 1 10 11 1 10 18 1 11 22 1 12 13 1 12 21 1 13 25 1 18 14 -2 25 14 -2 19 15 -2 15 23 1 16 17 1 17 20 1 18 23 1 19 23 1 19 25 1 20 21 1 21 24 1 22 24 1 22 25 1', '25 29 H 14.30 -13.40 H 15.51 -11.27 C 14.02 -14.16 C 12.04 -14.07 C 20.47 -9.55 C 14.28 -9.60 O 10.63 -13.07 O 10.63 -10.31 C 13.05 -10.29 C 16.73 -8.17 C 15.51 -8.88 C 15.51 -13.12 C 16.73 -12.39 C 17.94 -10.29 O 19.75 -11.18 C 11.84 -11.00 C 11.84 -12.39 C 17.94 -8.88 C 18.30 -11.29 C 13.05 -13.12 C 14.30 -12.39 C 15.51 -10.29 C 19.09 -9.88 C 14.30 -11.00 C 16.73 -11.00 21 1 -1 22 2 -1 20 3 -1 20 4 -2 23 5 -1 24 6 -2 7 17 2 8 16 1 9 16 2 9 24 1 10 11 1 10 18 1 11 22 1 12 13 1 12 21 1 13 25 1 18 14 -2 25 14 -2 19 15 -2 15 23 1 16 17 1 17 20 1 18 23 1 19 23 1 19 25 1 20 21 1 21 24 1 22 24 1 22 25 1', '25 29 H 14.30 -13.40 H 15.51 -11.27 C:28 14.02 -14.16 C:22 12.04 -14.07 C:15 20.47 -9.55 C:22 14.28 -9.60 O 10.63 -13.07 O 10.63 -10.31 C:128 13.05 -10.29 C:27 16.73 -8.17 C:18 15.51 -8.88 C:19 15.51 -13.12 C:35 16.73 -12.39 C:33 17.94 -10.29 O 19.75 -11.18 C:144 11.84 -11.00 C:201 11.84 -12.39 C:39 17.94 -8.88 C:68 18.30 -11.29 C:44 13.05 -13.12 C:54 14.30 -12.39 C:46 15.51 -10.29 C:61 19.09 -9.88 C:40 14.30 -11.00 C:44 16.73 -11.00 21 1 -1 22 2 -1 20 3 -1 20 4 -2 23 5 -1 24 6 -2 7 17 2 8 16 1 9 16 2 9 24 1 10 11 1 10 18 1 11 22 1 12 13 1 12 21 1 13 25 1 18 14 -2 25 14 -2 19 15 -2 15 23 1 16 17 1 17 20 1 18 23 1 19 23 1 19 25 1 20 21 1 21 24 1 22 24 1 22 25 1', 'C20H28O3', 316.228, 'C', 'ph65_1291_1', 1180, '', '', '1', 36, NULL, NULL),
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(8179, 'Doianoterpene B', 'ent-Kaur-16-en-20,19-olide', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]15[CH2:15][C:16](=[CH2:17])[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]24[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O[C:20]4=O)[CH2:14]5', '[H][C@]23CC[C@]15CC(=C)[C@@H](CC[C@@]1([H])[C@]24CCC[C@@]3(C)COC4=O)C5', '[H][C@:50]23[CH2:23][CH2:31][C@:44]15[CH2:48][C:156](=[CH2:103])[C@@H:45]([CH2:21][CH2:19][C@@:53]1([H])[C@:48]24[CH2:39][CH2:21][CH2:41][C@@:33]3([CH3:24])[CH2:77]O[C:175]4=O)[CH2:38]5', '24 28 H 13.78 -13.29 H 14.93 -11.27 C:17 19.64 -9.64 C:18 13.51 -14.01 O 12.82 -8.75 C:2 11.45 -11.01 C:12 16.09 -8.33 C:3 11.45 -12.33 C:11 14.93 -9.00 C:1 12.60 -10.34 C:6 14.93 -13.03 C:7 16.09 -12.33 C:19 11.64 -13.92 C:15 17.58 -11.29 C:14 17.24 -10.34 O 12.62 -11.69 C:16 18.33 -9.95 C:20 13.76 -9.68 C:13 17.24 -9.00 C:5 13.76 -12.33 C:9 14.93 -10.34 C:4 12.60 -13.03 C:8 16.09 -11.01 C:10 13.76 -11.01 20 1 -1 21 2 -1 3 17 2 22 4 -1 5 18 2 6 8 1 6 10 1 7 9 1 7 19 1 8 22 1 9 21 1 10 24 1 11 12 1 11 20 1 12 23 1 13 16 1 22 13 -2 14 17 1 14 23 1 19 15 -2 23 15 -2 16 18 1 17 19 1 24 18 -2 20 22 1 20 24 1 21 23 1 21 24 1', '24 28 H 13.78 -13.29 H 14.93 -11.27 C 19.64 -9.64 C 13.51 -14.01 O 12.82 -8.75 C 11.45 -11.01 C 16.09 -8.33 C 11.45 -12.33 C 14.93 -9.00 C 12.60 -10.34 C 14.93 -13.03 C 16.09 -12.33 C 11.64 -13.92 C 17.58 -11.29 C 17.24 -10.34 O 12.62 -11.69 C 18.33 -9.95 C 13.76 -9.68 C 17.24 -9.00 C 13.76 -12.33 C 14.93 -10.34 C 12.60 -13.03 C 16.09 -11.01 C 13.76 -11.01 20 1 -1 21 2 -1 3 17 2 22 4 -1 5 18 2 6 8 1 6 10 1 7 9 1 7 19 1 8 22 1 9 21 1 10 24 1 11 12 1 11 20 1 12 23 1 13 16 1 22 13 -2 14 17 1 14 23 1 19 15 -2 23 15 -2 16 18 1 17 19 1 24 18 -2 20 22 1 20 24 1 21 23 1 21 24 1', '24 28 H 13.78 -13.29 H 14.93 -11.27 C:103 19.64 -9.64 C:24 13.51 -14.01 O 12.82 -8.75 C:21 11.45 -11.01 C:21 16.09 -8.33 C:41 11.45 -12.33 C:19 14.93 -9.00 C:39 12.60 -10.34 C:23 14.93 -13.03 C:31 16.09 -12.33 C:77 11.64 -13.92 C:48 17.58 -11.29 C:38 17.24 -10.34 O 12.62 -11.69 C:156 18.33 -9.95 C:175 13.76 -9.68 C:45 17.24 -9.00 C:50 13.76 -12.33 C:53 14.93 -10.34 C:33 12.60 -13.03 C:44 16.09 -11.01 C:48 13.76 -11.01 20 1 -1 21 2 -1 3 17 2 22 4 -1 5 18 2 6 8 1 6 10 1 7 9 1 7 19 1 8 22 1 9 21 1 10 24 1 11 12 1 11 20 1 12 23 1 13 16 1 22 13 -2 14 17 1 14 23 1 19 15 -2 23 15 -2 16 18 1 17 19 1 24 18 -2 20 22 1 20 24 1 21 23 1 21 24 1', 'C20H28O2', 300.229, 'C', 'ph65_2071_2', 2224, '', '', '1', 36, NULL, NULL),
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-11.88 C:121 24.04 -12.57 C:115 19.17 -8.38 C:100 16.76 -13.97 C:110 22.82 -10.48 C:103 21.60 -13.97 C:95 17.97 -11.88 C:61 13.12 -16.06 C:61 8.25 -10.46 O 24.04 -8.37 O 13.11 -7.67 O 15.55 -11.87 O 14.34 -13.96 O 10.67 -10.46 O 13.12 -10.46 O 20.39 -11.88 C:166 14.32 -8.37 C:126 17.96 -7.68 C:146 20.39 -6.29 C:148 20.38 -7.69 C:151 25.25 -10.48 C:161 17.97 -14.67 C:163 16.76 -12.57 C:121 22.82 -11.88 C:148 24.04 -9.78 C:164 21.60 -12.57 C:182 20.39 -14.67 C:157 19.18 -12.57 C:105 19.18 -13.97 C:70 9.47 -8.36 C:70 11.91 -13.96 C:75 10.67 -7.66 C:76 11.91 -12.56 C:77 13.12 -14.66 C:77 9.47 -9.76 C:98 14.33 -12.56 C:100 11.90 -9.76 C:74 11.90 -8.36 C:80 13.12 -11.86 1 27 1 2 34 2 3 44 2 4 25 1 5 26 1 6 36 1 7 37 1 8 38 1 9 39 1 47 10 -1 48 11 -1 49 12 -2 50 13 -2 14 15 2 14 34 1 15 35 1 16 17 2 16 35 1 17 36 1 18 19 1 18 38 2 19 41 2 20 35 2 20 37 1 21 39 1 21 40 2 22 41 1 22 42 2 23 43 2 23 44 1 24 40 1 24 45 2 51 25 -2 52 26 -2 27 42 1 28 34 1 55 28 -1 29 40 1 53 29 -2 30 51 1 30 53 1 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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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25.27 -7.68 C:306003 4.62 -9.76 O 5.83 -11.86 O 14.32 -9.77 O 20.39 -16.07 O 14.34 -16.75 O 21.61 -5.60 O 26.46 -9.78 O 17.98 -16.07 O 10.69 -14.66 O 8.25 -7.66 O 10.66 -6.26 O 10.69 -11.86 C:302003 15.53 -7.67 C:302004 16.75 -8.38 C:302007 19.18 -5.58 C:302009 20.38 -7.69 C:302006 17.96 -6.28 C:302010 19.17 -8.38 C:105 25.25 -11.88 C:106 24.04 -12.57 C:6 16.76 -13.97 C:102 22.82 -10.48 C:3 21.60 -13.97 C:8 17.97 -11.88 C:206 13.12 -16.06 C:306 8.25 -10.46 O 24.04 -8.37 O 7.04 -9.76 O 13.11 -7.67 O 15.55 -11.87 O 14.34 -13.96 O 10.67 -10.46 O 13.12 -10.46 O 20.39 -11.88 C:306002 5.83 -10.46 C:302002 14.32 -8.37 C:302008 20.39 -6.29 C:302005 17.96 -7.68 C:104 25.25 -10.48 C:5 17.97 -14.67 C:7 16.76 -12.57 C:101 22.82 -11.88 C:103 24.04 -9.78 C:2 21.60 -12.57 C:4 20.39 -14.67 C:9 19.18 -12.57 C:10 19.18 -13.97 C:204 11.91 -13.96 C:304 9.47 -8.36 C:303 10.67 -7.66 C:203 11.91 -12.56 C:205 13.12 -14.66 C:305 9.47 -9.76 C:201 14.33 -12.56 C:301 11.90 -9.76 C:302 11.90 -8.36 C:202 13.12 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13.12 -10.46 O 20.39 -11.88 C 5.83 -10.46 C 14.32 -8.37 C 20.39 -6.29 C 17.96 -7.68 C 25.25 -10.48 C 17.97 -14.67 C 16.76 -12.57 C 22.82 -11.88 C 24.04 -9.78 C 21.60 -12.57 C 20.39 -14.67 C 19.18 -12.57 C 19.18 -13.97 C 11.91 -13.96 C 9.47 -8.36 C 10.67 -7.66 C 11.91 -12.56 C 13.12 -14.66 C 9.47 -9.76 C 14.33 -12.56 C 11.90 -9.76 C 11.90 -8.36 C 13.12 -11.86 1 28 1 2 36 1 3 36 2 4 37 2 5 46 2 6 26 1 7 38 1 8 40 1 9 41 1 49 10 -1 50 11 -1 51 12 -2 52 13 -2 14 15 2 14 37 1 15 39 1 16 18 2 16 38 1 17 19 1 17 38 2 18 39 1 19 39 2 20 21 1 20 40 2 21 43 2 22 41 1 22 42 2 23 43 1 23 44 2 24 45 2 24 46 1 25 42 1 25 47 2 53 26 -2 27 29 1 54 27 -2 28 44 1 29 36 1 30 37 1 57 30 -1 31 42 1 55 31 -2 32 53 1 32 55 1 33 54 1 33 56 1 56 34 -2 58 34 -1 35 45 1 35 47 1 40 44 1 41 48 2 43 45 1 46 48 1 47 48 1 49 52 1 49 53 1 50 51 1 50 54 1 51 57 1 52 58 1 55 58 1 56 57 1', '58 63 C:57 25.27 -7.68 C:21 4.62 -9.76 O 5.83 -11.86 O 14.32 -9.77 O 20.39 -16.07 O 14.34 -16.75 O 21.61 -5.60 O 26.46 -9.78 O 17.98 -16.07 O 10.69 -14.66 O 8.25 -7.66 O 10.66 -6.26 O 10.69 -11.86 C:115 15.53 -7.67 C:144 16.75 -8.38 C:116 19.18 -5.58 C:116 20.38 -7.69 C:130 17.96 -6.28 C:130 19.17 -8.38 C:116 25.25 -11.88 C:121 24.04 -12.57 C:99 16.76 -13.97 C:110 22.82 -10.48 C:103 21.60 -13.97 C:95 17.97 -11.88 C:60 13.12 -16.06 C:63 8.25 -10.46 O 24.04 -8.37 O 7.04 -9.76 O 13.11 -7.67 O 15.55 -11.87 O 14.34 -13.96 O 10.67 -10.46 O 13.12 -10.46 O 20.39 -11.88 C:170 5.83 -10.46 C:166 14.32 -8.37 C:160 20.39 -6.29 C:125 17.96 -7.68 C:151 25.25 -10.48 C:161 17.97 -14.67 C:163 16.76 -12.57 C:121 22.82 -11.88 C:148 24.04 -9.78 C:164 21.60 -12.57 C:182 20.39 -14.67 C:157 19.18 -12.57 C:105 19.18 -13.97 C:70 11.91 -13.96 C:70 9.47 -8.36 C:74 10.67 -7.66 C:76 11.91 -12.56 C:77 13.12 -14.66 C:74 9.47 -9.76 C:97 14.33 -12.56 C:100 11.90 -9.76 C:74 11.90 -8.36 C:80 13.12 -11.86 1 28 1 2 36 1 3 36 2 4 37 2 5 46 2 6 26 1 7 38 1 8 40 1 9 41 1 49 10 -1 50 11 -1 51 12 -2 52 13 -2 14 15 2 14 37 1 15 39 1 16 18 2 16 38 1 17 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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
(8199, 'Tricalysioside M', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C@@:16](O)([CH2:17]O)[C@@H:15]5O', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@@]3(C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](O)(CO)[C@@H]5O', '[H][C@:56]23[CH2:21][CH2:40][C@@:48]15[CH2:38][C@H:44]([CH2:26][CH2:19][C@@:56]1([H])[C@:40]2([CH3:18])[CH2:36][CH2:29][C@@H:79](O)[C@@:43]3([CH3:25])[CH2:73]O[C@@H:106]4O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]4O)[C@@:81](O)([CH2:66]O)[C@@H:83]5O', '38 42 H 16.37 -11.04 H 17.57 -8.89 C:18 16.08 -11.80 C:20 16.35 -7.22 O 7.76 -12.90 O 23.42 -6.40 O 12.68 -10.71 O 12.69 -16.53 O 9.89 -16.53 O 14.08 -14.07 O 20.94 -10.20 O 22.32 -8.28 C:106 8.47 -14.11 C:17 22.02 -6.40 C:2 13.90 -8.61 C:12 18.79 -5.79 C:11 17.57 -6.50 C:1 15.11 -7.90 C:6 17.57 -10.76 C:7 18.79 -10.02 C:19 14.10 -11.71 C:14 20.00 -7.90 O 12.70 -11.71 O 10.56 -12.88 C:3 13.90 -10.02 C:13 20.00 -6.50 C:103 11.99 -15.31 C:104 10.58 -15.31 C:102 12.68 -14.08 C:105 9.87 -14.10 C:15 20.36 -8.91 C:101 11.97 -12.87 C:5 16.35 -10.02 C:9 17.57 -7.90 C:4 15.11 -10.76 C:16 21.16 -7.50 C:10 16.35 -8.61 C:8 18.79 -8.61 33 1 -1 34 2 -1 35 3 -1 37 4 -2 5 13 1 6 14 1 25 7 -2 27 8 -1 28 9 -2 29 10 -2 31 11 -2 36 12 -2 30 13 -1 36 14 -1 15 18 1 15 25 1 16 17 1 16 26 1 17 34 1 18 37 1 19 20 1 19 33 1 20 38 1 21 23 1 35 21 -2 26 22 -2 38 22 -2 32 23 -1 24 30 1 24 32 1 25 35 1 26 36 1 27 28 1 27 29 1 28 30 1 29 32 1 31 36 1 31 38 1 33 35 1 33 37 1 34 37 1 34 38 1', '38 42 H 16.37 -11.04 H 17.57 -8.89 C 16.08 -11.80 C 16.35 -7.22 O 7.76 -12.90 O 23.42 -6.40 O 12.68 -10.71 O 12.69 -16.53 O 9.89 -16.53 O 14.08 -14.07 O 20.94 -10.20 O 22.32 -8.28 C 8.47 -14.11 C 22.02 -6.40 C 13.90 -8.61 C 18.79 -5.79 C 17.57 -6.50 C 15.11 -7.90 C 17.57 -10.76 C 18.79 -10.02 C 14.10 -11.71 C 20.00 -7.90 O 12.70 -11.71 O 10.56 -12.88 C 13.90 -10.02 C 20.00 -6.50 C 11.99 -15.31 C 10.58 -15.31 C 12.68 -14.08 C 9.87 -14.10 C 20.36 -8.91 C 11.97 -12.87 C 16.35 -10.02 C 17.57 -7.90 C 15.11 -10.76 C 21.16 -7.50 C 16.35 -8.61 C 18.79 -8.61 33 1 -1 34 2 -1 35 3 -1 37 4 -2 5 13 1 6 14 1 25 7 -2 27 8 -1 28 9 -2 29 10 -2 31 11 -2 36 12 -2 30 13 -1 36 14 -1 15 18 1 15 25 1 16 17 1 16 26 1 17 34 1 18 37 1 19 20 1 19 33 1 20 38 1 21 23 1 35 21 -2 26 22 -2 38 22 -2 32 23 -1 24 30 1 24 32 1 25 35 1 26 36 1 27 28 1 27 29 1 28 30 1 29 32 1 31 36 1 31 38 1 33 35 1 33 37 1 34 37 1 34 38 1', '38 42 H 16.37 -11.04 H 17.57 -8.89 C:25 16.08 -11.80 C:18 16.35 -7.22 O 7.76 -12.90 O 23.42 -6.40 O 12.68 -10.71 O 12.69 -16.53 O 9.89 -16.53 O 14.08 -14.07 O 20.94 -10.20 O 22.32 -8.28 C:63 8.47 -14.11 C:66 22.02 -6.40 C:29 13.90 -8.61 C:26 18.79 -5.79 C:19 17.57 -6.50 C:36 15.11 -7.90 C:21 17.57 -10.76 C:40 18.79 -10.02 C:73 14.10 -11.71 C:38 20.00 -7.90 O 12.70 -11.71 O 10.56 -12.88 C:79 13.90 -10.02 C:44 20.00 -6.50 C:79 11.99 -15.31 C:72 10.58 -15.31 C:75 12.68 -14.08 C:79 9.87 -14.10 C:83 20.36 -8.91 C:106 11.97 -12.87 C:56 16.35 -10.02 C:56 17.57 -7.90 C:43 15.11 -10.76 C:81 21.16 -7.50 C:40 16.35 -8.61 C:48 18.79 -8.61 33 1 -1 34 2 -1 35 3 -1 37 4 -2 5 13 1 6 14 1 25 7 -2 27 8 -1 28 9 -2 29 10 -2 31 11 -2 36 12 -2 30 13 -1 36 14 -1 15 18 1 15 25 1 16 17 1 16 26 1 17 34 1 18 37 1 19 20 1 19 33 1 20 38 1 21 23 1 35 21 -2 26 22 -2 38 22 -2 32 23 -1 24 30 1 24 32 1 25 35 1 26 36 1 27 28 1 27 29 1 28 30 1 29 32 1 31 36 1 31 38 1 33 35 1 33 37 1 34 37 1 34 38 1', 'C26H44O10', 516.288, 'P', 'ph66_2857_6', 848, '', '', '1', 36, NULL, NULL),
(8200, 'Tricalysioside N', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O)[C@@:16](O)([CH2:17]O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C@@H:15]5O[C:1501]([CH3:1502])=O', '[H][C@]23CC[C@@]15C[C@H](CC[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@@]3(C)CO)[C@@](O)(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]5OC(C)=O', '[H][C@:56]23[CH2:20][CH2:39][C@@:48]15[CH2:37][C@H:45]([CH2:26][CH2:19][C@@:56]1([H])[C@:39]2([CH3:18])[CH2:36][CH2:28][C@@H:80](O)[C@@:43]3([CH3:24])[CH2:64]O)[C@@:81](O)([CH2:76]O[C@@H:106]4O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]4O)[C@@H:84]5O[C:171]([CH3:21])=O', '41 45 H 11.44 -15.53 H 12.66 -13.39 C:1502 18.14 -15.90 C:18 11.16 -16.29 C:20 11.42 -11.71 O 18.14 -13.47 O 23.42 -9.61 O 9.71 -17.49 O 7.76 -15.20 O 18.48 -6.02 O 21.28 -5.99 O 17.11 -8.47 O 17.43 -12.78 C:106 22.71 -8.41 C:19 9.18 -16.20 C:2 8.98 -13.11 C:12 13.88 -10.28 C:11 12.66 -10.99 C:6 12.66 -15.25 C:1 10.19 -12.40 C:7 13.88 -14.51 C:17 17.13 -10.89 C:14 15.10 -12.40 O 18.53 -10.87 O 16.04 -14.69 O 20.62 -9.63 C:1501 17.44 -14.68 C:3 8.98 -14.51 C:103 19.20 -7.23 C:104 20.60 -7.21 C:102 18.51 -8.45 C:105 21.31 -8.42 C:13 15.10 -10.99 C:101 19.22 -9.65 C:15 15.46 -13.41 C:5 11.42 -14.51 C:9 12.66 -12.40 C:4 10.19 -15.25 C:10 11.42 -13.11 C:16 16.26 -11.99 C:8 13.88 -13.11 36 1 -1 37 2 -1 3 27 1 38 4 -1 39 5 -2 6 27 2 7 14 1 8 15 1 28 9 -2 29 10 -1 30 11 -2 31 12 -2 40 13 -2 32 14 -1 38 15 -2 16 20 1 16 28 1 17 18 1 17 33 1 18 37 1 19 21 1 19 36 1 20 39 1 21 41 1 22 24 1 40 22 -1 33 23 -2 41 23 -2 34 24 -1 25 27 1 35 25 -2 26 32 1 26 34 1 28 38 1 29 30 1 29 31 1 30 32 1 31 34 1 33 40 1 35 40 1 35 41 1 36 38 1 36 39 1 37 39 1 37 41 1', '41 45 H 11.44 -15.53 H 12.66 -13.39 C 18.14 -15.90 C 11.16 -16.29 C 11.42 -11.71 O 18.14 -13.47 O 23.42 -9.61 O 9.71 -17.49 O 7.76 -15.20 O 18.48 -6.02 O 21.28 -5.99 O 17.11 -8.47 O 17.43 -12.78 C 22.71 -8.41 C 9.18 -16.20 C 8.98 -13.11 C 13.88 -10.28 C 12.66 -10.99 C 12.66 -15.25 C 10.19 -12.40 C 13.88 -14.51 C 17.13 -10.89 C 15.10 -12.40 O 18.53 -10.87 O 16.04 -14.69 O 20.62 -9.63 C 17.44 -14.68 C 8.98 -14.51 C 19.20 -7.23 C 20.60 -7.21 C 18.51 -8.45 C 21.31 -8.42 C 15.10 -10.99 C 19.22 -9.65 C 15.46 -13.41 C 11.42 -14.51 C 12.66 -12.40 C 10.19 -15.25 C 11.42 -13.11 C 16.26 -11.99 C 13.88 -13.11 36 1 -1 37 2 -1 3 27 1 38 4 -1 39 5 -2 6 27 2 7 14 1 8 15 1 28 9 -2 29 10 -1 30 11 -2 31 12 -2 40 13 -2 32 14 -1 38 15 -2 16 20 1 16 28 1 17 18 1 17 33 1 18 37 1 19 21 1 19 36 1 20 39 1 21 41 1 22 24 1 40 22 -1 33 23 -2 41 23 -2 34 24 -1 25 27 1 35 25 -2 26 32 1 26 34 1 28 38 1 29 30 1 29 31 1 30 32 1 31 34 1 33 40 1 35 40 1 35 41 1 36 38 1 36 39 1 37 39 1 37 41 1', '41 45 H 11.44 -15.53 H 12.66 -13.39 C:21 18.14 -15.90 C:24 11.16 -16.29 C:18 11.42 -11.71 O 18.14 -13.47 O 23.42 -9.61 O 9.71 -17.49 O 7.76 -15.20 O 18.48 -6.02 O 21.28 -5.99 O 17.11 -8.47 O 17.43 -12.78 C:63 22.71 -8.41 C:64 9.18 -16.20 C:28 8.98 -13.11 C:26 13.88 -10.28 C:19 12.66 -10.99 C:20 12.66 -15.25 C:36 10.19 -12.40 C:39 13.88 -14.51 C:76 17.13 -10.89 C:37 15.10 -12.40 O 18.53 -10.87 O 16.04 -14.69 O 20.62 -9.63 C:171 17.44 -14.68 C:80 8.98 -14.51 C:79 19.20 -7.23 C:72 20.60 -7.21 C:76 18.51 -8.45 C:78 21.31 -8.42 C:45 15.10 -10.99 C:106 19.22 -9.65 C:84 15.46 -13.41 C:56 11.42 -14.51 C:56 12.66 -12.40 C:43 10.19 -15.25 C:39 11.42 -13.11 C:81 16.26 -11.99 C:48 13.88 -13.11 36 1 -1 37 2 -1 3 27 1 38 4 -1 39 5 -2 6 27 2 7 14 1 8 15 1 28 9 -2 29 10 -1 30 11 -2 31 12 -2 40 13 -2 32 14 -1 38 15 -2 16 20 1 16 28 1 17 18 1 17 33 1 18 37 1 19 21 1 19 36 1 20 39 1 21 41 1 22 24 1 40 22 -1 33 23 -2 41 23 -2 34 24 -1 25 27 1 35 25 -2 26 32 1 26 34 1 28 38 1 29 30 1 29 31 1 30 32 1 31 34 1 33 40 1 35 40 1 35 41 1 36 38 1 36 39 1 37 39 1 37 41 1', 'C28H46O11', 558.309, 'P', 'ph66_2857_7', 848, '', '', '1', 36, NULL, NULL),
(8201, 'Tricalysioside O', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]12[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([CH2:7][CH2:6][C@@:5]3([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@:4]3([CH2:19]O)[CH2:18]O)[C@@H:15](O[C:1501]([CH3:1502])=O)[C@:16]4(O)[CH2:17]O[C@@H:101]5O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]5O', '[H][C@@]12CC[C@H]4C[C@@]1(CC[C@@]3([H])[C@@]2(C)CC[C@@H](O)[C@]3(CO)CO)[C@@H](OC(C)=O)[C@]4(O)CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O', '[H][C@@:56]12[CH2:19][CH2:26][C@H:45]4[CH2:37][C@@:48]1([CH2:39][CH2:20][C@@:48]3([H])[C@@:39]2([CH3:18])[CH2:36][CH2:28][C@@H:74](O)[C@:47]3([CH2:63]O)[CH2:64]O)[C@@H:84](O[C:171]([CH3:21])=O)[C@:81]4(O)[CH2:75]O[C@@H:107]5O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]5O', '42 46 H 12.66 -13.39 H 11.44 -15.53 C:1502 18.14 -15.90 C:20 11.42 -11.71 O 18.14 -13.47 O 23.42 -9.61 O 9.71 -17.49 O 10.75 -17.62 O 7.76 -15.20 O 18.48 -6.02 O 21.28 -5.99 O 17.11 -8.47 O 17.43 -12.78 C:106 22.71 -8.41 C:19 9.18 -16.20 C:18 11.16 -16.29 C:2 8.98 -13.11 C:12 13.88 -10.28 C:11 12.66 -10.99 C:6 12.66 -15.25 C:1 10.19 -12.40 C:7 13.88 -14.51 C:17 17.13 -10.89 C:14 15.10 -12.40 O 18.53 -10.87 O 16.04 -14.69 O 20.62 -9.63 C:1501 17.44 -14.68 C:3 8.98 -14.51 C:103 19.20 -7.23 C:104 20.60 -7.21 C:102 18.51 -8.45 C:105 21.31 -8.42 C:13 15.10 -10.99 C:101 19.22 -9.65 C:15 15.46 -13.41 C:9 12.66 -12.40 C:5 11.42 -14.51 C:10 11.42 -13.11 C:16 16.26 -11.99 C:4 10.19 -15.25 C:8 13.88 -13.11 37 1 -1 38 2 -1 3 28 1 39 4 -2 5 28 2 6 14 1 7 15 1 8 16 1 29 9 -2 30 10 -1 31 11 -2 32 12 -2 40 13 -2 33 14 -1 41 15 -2 41 16 -1 17 21 1 17 29 1 18 19 1 18 34 1 19 37 1 20 22 1 20 38 1 21 39 1 22 42 1 23 25 1 40 23 -1 34 24 -2 42 24 -2 35 25 -1 26 28 1 36 26 -2 27 33 1 27 35 1 29 41 1 30 31 1 30 32 1 31 33 1 32 35 1 34 40 1 36 40 1 36 42 1 37 39 1 37 42 1 38 39 1 38 41 1', '42 46 H 12.66 -13.39 H 11.44 -15.53 C 18.14 -15.90 C 11.42 -11.71 O 18.14 -13.47 O 23.42 -9.61 O 9.71 -17.49 O 10.75 -17.62 O 7.76 -15.20 O 18.48 -6.02 O 21.28 -5.99 O 17.11 -8.47 O 17.43 -12.78 C 22.71 -8.41 C 9.18 -16.20 C 11.16 -16.29 C 8.98 -13.11 C 13.88 -10.28 C 12.66 -10.99 C 12.66 -15.25 C 10.19 -12.40 C 13.88 -14.51 C 17.13 -10.89 C 15.10 -12.40 O 18.53 -10.87 O 16.04 -14.69 O 20.62 -9.63 C 17.44 -14.68 C 8.98 -14.51 C 19.20 -7.23 C 20.60 -7.21 C 18.51 -8.45 C 21.31 -8.42 C 15.10 -10.99 C 19.22 -9.65 C 15.46 -13.41 C 12.66 -12.40 C 11.42 -14.51 C 11.42 -13.11 C 16.26 -11.99 C 10.19 -15.25 C 13.88 -13.11 37 1 -1 38 2 -1 3 28 1 39 4 -2 5 28 2 6 14 1 7 15 1 8 16 1 29 9 -2 30 10 -1 31 11 -2 32 12 -2 40 13 -2 33 14 -1 41 15 -2 41 16 -1 17 21 1 17 29 1 18 19 1 18 34 1 19 37 1 20 22 1 20 38 1 21 39 1 22 42 1 23 25 1 40 23 -1 34 24 -2 42 24 -2 35 25 -1 26 28 1 36 26 -2 27 33 1 27 35 1 29 41 1 30 31 1 30 32 1 31 33 1 32 35 1 34 40 1 36 40 1 36 42 1 37 39 1 37 42 1 38 39 1 38 41 1', '42 46 H 12.66 -13.39 H 11.44 -15.53 C:21 18.14 -15.90 C:18 11.42 -11.71 O 18.14 -13.47 O 23.42 -9.61 O 9.71 -17.49 O 10.75 -17.62 O 7.76 -15.20 O 18.48 -6.02 O 21.28 -5.99 O 17.11 -8.47 O 17.43 -12.78 C:63 22.71 -8.41 C:63 9.18 -16.20 C:64 11.16 -16.29 C:28 8.98 -13.11 C:26 13.88 -10.28 C:19 12.66 -10.99 C:20 12.66 -15.25 C:36 10.19 -12.40 C:39 13.88 -14.51 C:75 17.13 -10.89 C:37 15.10 -12.40 O 18.53 -10.87 O 16.04 -14.69 O 20.62 -9.63 C:171 17.44 -14.68 C:74 8.98 -14.51 C:79 19.20 -7.23 C:72 20.60 -7.21 C:76 18.51 -8.45 C:78 21.31 -8.42 C:45 15.10 -10.99 C:107 19.22 -9.65 C:84 15.46 -13.41 C:56 12.66 -12.40 C:48 11.42 -14.51 C:39 11.42 -13.11 C:81 16.26 -11.99 C:47 10.19 -15.25 C:48 13.88 -13.11 37 1 -1 38 2 -1 3 28 1 39 4 -2 5 28 2 6 14 1 7 15 1 8 16 1 29 9 -2 30 10 -1 31 11 -2 32 12 -2 40 13 -2 33 14 -1 41 15 -2 41 16 -1 17 21 1 17 29 1 18 19 1 18 34 1 19 37 1 20 22 1 20 38 1 21 39 1 22 42 1 23 25 1 40 23 -1 34 24 -2 42 24 -2 35 25 -1 26 28 1 36 26 -2 27 33 1 27 35 1 29 41 1 30 31 1 30 32 1 31 33 1 32 35 1 34 40 1 36 40 1 36 42 1 37 39 1 37 42 1 38 39 1 38 41 1', 'C28H46O12', 574.308, 'P', 'ph66_2857_8', 848, '', '', '1', 36, NULL, NULL),
(8202, 'Xindongnin P', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:109]18[C@@H:111](O)[CH2:112][C@H:113]2[CH2:114][C@:108]1([C:115](=O)[C@:116]2(O)[CH2:117][CH2:17][C@:16]34O[C@@H:11]6[CH2:12][C@H:13]3[CH2:14][C@:8]7([C:15]4=O)[C@@H:7](O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]5([H])[C@:4]([CH3:18])([CH3:19])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]5([CH3:20])[C@:9]67[H])[C@@H:107](O)[C@H:106](O[C:106001]([CH3:106002])=O)[C@:105]9([H])[C@:104]([CH3:118])([CH3:119])[C@@H:103](O)[CH2:102][CH2:101][C@@:110]89[CH3:120]', '[H][C@@]18[C@@H](O)C[C@H]2C[C@]1(C(=O)[C@]2(O)CC[C@]34O[C@@H]6C[C@H]3C[C@]7(C4=O)[C@@H](O)[C@H](OC(C)=O)[C@]5([H])[C@](C)(C)[C@@H](O)CC[C@@]5(C)[C@]67[H])[C@@H](O)[C@H](OC(C)=O)[C@]9([H])[C@](C)(C)[C@@H](O)CC[C@@]89C', 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(8212, '3,7,11,15-Tetramethyl-n-hexadecan-3a-ol-1-yl-benzoate', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:17][CH:15]([CH3:16])[CH2:14][CH2:13][CH2:12][C@H:11]([CH3:18])[C@@H:10](O)[CH2:9][CH2:8][C@H:7]([CH3:19])[CH2:6][CH2:5][CH2:4][C@@:3]([CH3:20])(O)[CH2:2][CH2:1]O[C:101](=O)[c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1', 'CC(C)CCC[C@H](C)[C@@H](O)CC[C@H](C)CCC[C@@](C)(O)CCOC(=O)c1ccccc1', '[CH3:20][CH:37]([CH3:20])[CH2:24][CH2:27][CH2:28][C@H:40]([CH3:12])[C@@H:30](O)[CH2:31][CH2:31][C@H:41]([CH3:15])[CH2:32][CH2:33][CH2:34][C@@:67]([CH3:13])(O)[CH2:36][CH2:66]O[C:169](=O)[c:134]1[cH:132][cH:130][cH:132][cH:130][cH:132]1', '31 31 C:17 4.66 -9.04 C:16 3.45 -11.14 C:19 14.36 -9.04 C:18 9.51 -9.04 C:20 19.91 -9.23 O 24.06 -9.04 O 10.72 -12.54 O 18.51 -9.23 C:105 27.70 -12.54 C:104 27.70 -11.14 C:106 26.48 -13.24 C:103 26.48 -10.44 C:107 25.27 -12.54 C:13 7.08 -10.44 C:5 16.78 -10.44 C:1 21.63 -10.44 C:14 5.87 -11.14 C:6 15.57 -11.14 C:12 8.30 -11.14 C:8 13.16 -11.14 C:9 11.93 -10.44 C:4 18.00 -11.14 C:2 20.42 -11.14 O 22.85 -11.14 C:101 24.06 -10.44 C:102 25.27 -11.14 C:15 4.66 -10.44 C:7 14.36 -10.44 C:11 9.51 -10.44 C:10 10.72 -11.14 C:3 19.21 -10.44 1 27 1 2 27 1 28 3 -2 29 4 -2 31 5 -2 6 25 2 30 7 -2 31 8 -1 9 10 1 9 11 2 10 12 2 11 13 1 12 26 1 13 26 2 14 17 1 14 19 1 15 18 1 15 22 1 16 23 1 16 24 1 17 27 1 18 28 1 19 29 1 20 21 1 20 28 1 21 30 1 22 31 1 23 31 1 24 25 1 25 26 1 29 30 1', '31 31 C 4.66 -9.04 C 3.45 -11.14 C 14.36 -9.04 C 9.51 -9.04 C 19.91 -9.23 O 24.06 -9.04 O 10.72 -12.54 O 18.51 -9.23 C 27.70 -12.54 C 27.70 -11.14 C 26.48 -13.24 C 26.48 -10.44 C 25.27 -12.54 C 7.08 -10.44 C 16.78 -10.44 C 21.63 -10.44 C 5.87 -11.14 C 15.57 -11.14 C 8.30 -11.14 C 13.16 -11.14 C 11.93 -10.44 C 18.00 -11.14 C 20.42 -11.14 O 22.85 -11.14 C 24.06 -10.44 C 25.27 -11.14 C 4.66 -10.44 C 14.36 -10.44 C 9.51 -10.44 C 10.72 -11.14 C 19.21 -10.44 1 27 1 2 27 1 28 3 -2 29 4 -2 31 5 -2 6 25 2 30 7 -2 31 8 -1 9 10 1 9 11 2 10 12 2 11 13 1 12 26 1 13 26 2 14 17 1 14 19 1 15 18 1 15 22 1 16 23 1 16 24 1 17 27 1 18 28 1 19 29 1 20 21 1 20 28 1 21 30 1 22 31 1 23 31 1 24 25 1 25 26 1 29 30 1', '31 31 C:20 4.66 -9.04 C:20 3.45 -11.14 C:15 14.36 -9.04 C:12 9.51 -9.04 C:13 19.91 -9.23 O 24.06 -9.04 O 10.72 -12.54 O 18.51 -9.23 C:132 27.70 -12.54 C:130 27.70 -11.14 C:130 26.48 -13.24 C:132 26.48 -10.44 C:132 25.27 -12.54 C:27 7.08 -10.44 C:33 16.78 -10.44 C:66 21.63 -10.44 C:24 5.87 -11.14 C:32 15.57 -11.14 C:28 8.30 -11.14 C:31 13.16 -11.14 C:31 11.93 -10.44 C:34 18.00 -11.14 C:36 20.42 -11.14 O 22.85 -11.14 C:169 24.06 -10.44 C:134 25.27 -11.14 C:37 4.66 -10.44 C:41 14.36 -10.44 C:40 9.51 -10.44 C:30 10.72 -11.14 C:67 19.21 -10.44 1 27 1 2 27 1 28 3 -2 29 4 -2 31 5 -2 6 25 2 30 7 -2 31 8 -1 9 10 1 9 11 2 10 12 2 11 13 1 12 26 1 13 26 2 14 17 1 14 19 1 15 18 1 15 22 1 16 23 1 16 24 1 17 27 1 18 28 1 19 29 1 20 21 1 20 28 1 21 30 1 22 31 1 23 31 1 24 25 1 25 26 1 29 30 1', 'C27H46O4', 434.286, 'C', 'cnc05_182_5', 405, '', '', '1', 5, NULL, NULL),
(8213, 'Sarcophytin B', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:10001]13[C:1](=O)[C@@H:2]([CH:11]([CH3:13])[CH3:12])[CH2:3][C@@:4]4(O)O[C@@:8001]2([CH:9]=[C:10]1[C:16](=O)O[CH3:16001])[CH2:8][C:7]([CH3:15])=[CH:6][CH2:5][C@:4002]2([H])[C@:4001]34[CH3:14]', '[H][C@]13C(=O)[C@@H](C(C)C)C[C@@]4(O)O[C@@]2(C=C1C(=O)OC)CC(C)=CC[C@]2([H])[C@]34C', '[H][C@:49]13[C:209](=O)[C@@H:56]([CH:26]([CH3:22])[CH3:19])[CH2:41][C@@:106]4(O)O[C@@:78]2([CH:146]=[C:132]1[C:166](=O)O[CH3:52])[CH2:42][C:131]([CH3:24])=[CH:122][CH2:23][C@:45]2([H])[C@:51]34[CH3:17]', '28 31 H 15.56 -12.10 H 17.35 -8.60 C:16001 17.91 -15.25 C:15 20.27 -7.07 C:13 12.02 -13.20 C:12 10.84 -11.15 C:14 15.56 -8.45 O 15.56 -13.89 O 14.39 -13.20 O 14.39 -7.76 C:6 17.91 -7.07 C:9 17.91 -11.15 C:5 16.74 -7.76 C:8 19.08 -9.11 C:3 13.21 -9.80 O 17.91 -13.89 O 14.39 -10.47 C:7 19.08 -7.76 C:16 16.74 -13.20 C:1 14.39 -11.85 C:10 16.74 -11.85 C:11 12.02 -11.85 C:2 13.21 -11.15 C:10001 15.56 -11.15 C:4002 16.74 -9.11 C:4 14.39 -9.11 C:8001 17.91 -9.80 C:4001 15.56 -9.80 24 1 -1 25 2 -2 3 16 1 4 18 1 5 22 1 6 22 1 28 7 -1 8 19 2 9 20 2 26 10 -1 11 13 1 11 18 2 12 21 2 12 27 1 13 25 1 14 18 1 14 27 1 15 23 1 15 26 1 16 19 1 17 26 1 27 17 -2 19 21 1 20 23 1 20 24 1 21 24 1 23 22 -1 24 28 1 25 27 1 25 28 1 26 28 1', '28 31 H 15.56 -12.10 H 17.35 -8.60 C 17.91 -15.25 C 20.27 -7.07 C 12.02 -13.20 C 10.84 -11.15 C 15.56 -8.45 O 15.56 -13.89 O 14.39 -13.20 O 14.39 -7.76 C 17.91 -7.07 C 17.91 -11.15 C 16.74 -7.76 C 19.08 -9.11 C 13.21 -9.80 O 17.91 -13.89 O 14.39 -10.47 C 19.08 -7.76 C 16.74 -13.20 C 14.39 -11.85 C 16.74 -11.85 C 12.02 -11.85 C 13.21 -11.15 C 15.56 -11.15 C 16.74 -9.11 C 14.39 -9.11 C 17.91 -9.80 C 15.56 -9.80 24 1 -1 25 2 -2 3 16 1 4 18 1 5 22 1 6 22 1 28 7 -1 8 19 2 9 20 2 26 10 -1 11 13 1 11 18 2 12 21 2 12 27 1 13 25 1 14 18 1 14 27 1 15 23 1 15 26 1 16 19 1 17 26 1 27 17 -2 19 21 1 20 23 1 20 24 1 21 24 1 23 22 -1 24 28 1 25 27 1 25 28 1 26 28 1', '28 31 H 15.56 -12.10 H 17.35 -8.60 C:52 17.91 -15.25 C:24 20.27 -7.07 C:22 12.02 -13.20 C:19 10.84 -11.15 C:17 15.56 -8.45 O 15.56 -13.89 O 14.39 -13.20 O 14.39 -7.76 C:122 17.91 -7.07 C:146 17.91 -11.15 C:23 16.74 -7.76 C:42 19.08 -9.11 C:41 13.21 -9.80 O 17.91 -13.89 O 14.39 -10.47 C:131 19.08 -7.76 C:166 16.74 -13.20 C:209 14.39 -11.85 C:132 16.74 -11.85 C:26 12.02 -11.85 C:56 13.21 -11.15 C:49 15.56 -11.15 C:45 16.74 -9.11 C:106 14.39 -9.11 C:78 17.91 -9.80 C:51 15.56 -9.80 24 1 -1 25 2 -2 3 16 1 4 18 1 5 22 1 6 22 1 28 7 -1 8 19 2 9 20 2 26 10 -1 11 13 1 11 18 2 12 21 2 12 27 1 13 25 1 14 18 1 14 27 1 15 23 1 15 26 1 16 19 1 17 26 1 27 17 -2 19 21 1 20 23 1 20 24 1 21 24 1 23 22 -1 24 28 1 25 27 1 25 28 1 26 28 1', 'C21H28O5', 360.238, 'C', 'np00_109_1', 116, '', '', '1', 5, 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
(8214, 'Sarcopetal-15-en-3-one-12,13-olide', '', 'Terpenoids', 'Diterpenoids', 'Sarcopetalanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]12[CH2:14][C:13]([CH3:17])=[CH:15][C@@H:16]1O[C:12](=O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]4([CH3:19])[CH3:18]', '[H][C@]34CC[C@@]12CC(C)=C[C@@H]1OC(=O)C[C@@]2([H])[C@]3(C)CCC(=O)[C@]4(C)C', '[H][C@:54]34[CH2:20][CH2:38][C@@:41]12[CH2:52][C:147]([CH3:17])=[CH:124][C@@H:90]1O[C:172](=O)[CH2:28][C@@:49]2([H])[C@:38]3([CH3:15])[CH2:38][CH2:34][C:216](=O)[C@:47]4([CH3:22])[CH3:27]', '25 28 H 14.84 -14.17 H 16.05 -11.87 C:17 19.97 -14.12 C:19 14.50 -14.94 C:18 12.70 -14.94 C:20 14.84 -10.15 O 17.30 -7.30 O 11.13 -13.71 C:15 19.61 -11.70 C:2 12.35 -11.57 C:1 13.59 -10.87 C:6 16.05 -13.71 C:7 17.30 -13.00 C:11 16.05 -9.43 C:14 17.94 -12.94 O 18.55 -9.42 C:13 19.25 -12.96 C:12 17.30 -8.72 C:3 12.35 -13.00 C:16 18.55 -10.86 C:4 13.59 -13.71 C:5 14.84 -13.00 C:9 16.05 -10.87 C:10 14.84 -11.57 C:8 17.30 -11.57 22 1 -1 23 2 -1 3 17 1 21 4 -2 21 5 -1 24 6 -2 7 18 2 8 19 2 9 17 2 20 9 -1 10 11 1 10 19 1 11 24 1 12 13 1 12 22 1 13 25 1 14 18 1 14 23 1 15 17 1 25 15 -1 16 18 1 16 20 1 19 21 1 25 20 -2 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 14.84 -14.17 H 16.05 -11.87 C 19.97 -14.12 C 14.50 -14.94 C 12.70 -14.94 C 14.84 -10.15 O 17.30 -7.30 O 11.13 -13.71 C 19.61 -11.70 C 12.35 -11.57 C 13.59 -10.87 C 16.05 -13.71 C 17.30 -13.00 C 16.05 -9.43 C 17.94 -12.94 O 18.55 -9.42 C 19.25 -12.96 C 17.30 -8.72 C 12.35 -13.00 C 18.55 -10.86 C 13.59 -13.71 C 14.84 -13.00 C 16.05 -10.87 C 14.84 -11.57 C 17.30 -11.57 22 1 -1 23 2 -1 3 17 1 21 4 -2 21 5 -1 24 6 -2 7 18 2 8 19 2 9 17 2 20 9 -1 10 11 1 10 19 1 11 24 1 12 13 1 12 22 1 13 25 1 14 18 1 14 23 1 15 17 1 25 15 -1 16 18 1 16 20 1 19 21 1 25 20 -2 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 14.84 -14.17 H 16.05 -11.87 C:17 19.97 -14.12 C:22 14.50 -14.94 C:27 12.70 -14.94 C:15 14.84 -10.15 O 17.30 -7.30 O 11.13 -13.71 C:124 19.61 -11.70 C:34 12.35 -11.57 C:38 13.59 -10.87 C:20 16.05 -13.71 C:38 17.30 -13.00 C:28 16.05 -9.43 C:52 17.94 -12.94 O 18.55 -9.42 C:147 19.25 -12.96 C:172 17.30 -8.72 C:216 12.35 -13.00 C:90 18.55 -10.86 C:47 13.59 -13.71 C:54 14.84 -13.00 C:49 16.05 -10.87 C:38 14.84 -11.57 C:41 17.30 -11.57 22 1 -1 23 2 -1 3 17 1 21 4 -2 21 5 -1 24 6 -2 7 18 2 8 19 2 9 17 2 20 9 -1 10 11 1 10 19 1 11 24 1 12 13 1 12 22 1 13 25 1 14 18 1 14 23 1 15 17 1 25 15 -1 16 18 1 16 20 1 19 21 1 25 20 -2 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H28O3', 316.228, 'C', 'np00_222_2', 467, '', '', '1', 5, NULL, NULL),
(8215, 'Sarcopetal-13,15-dien-3-one-12-oic acid', '', 'Terpenoids', 'Diterpenoids', 'Sarcopetalanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]1([CH:16]=[CH:15][C:13]([CH3:17])=[CH:14]1)[C@@H:9]([CH2:11][C:12](=O)O)[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@@]1(C=CC(C)=C1)[C@@H](CC(=O)O)[C@]2(C)CCC(=O)[C@@]3(C)C', '[H][C@:55]23[CH2:23][CH2:33][C@@:60]1([CH:140]=[CH:141][C:139]([CH3:16])=[CH:136]1)[C@@H:49]([CH2:30][C:180](=O)O)[C@:38]2([CH3:15])[CH2:38][CH2:34][C:217](=O)[C@@:47]3([CH3:26])[CH3:21]', '24 26 H 14.38 -14.03 C:17 20.43 -11.29 C:18 12.12 -14.73 C:19 14.01 -14.91 C:20 14.38 -10.12 O 13.17 -9.43 O 10.74 -13.62 O 14.38 -7.32 C:15 18.37 -9.87 C:16 16.99 -10.13 C:14 18.08 -12.12 C:2 11.96 -11.53 C:1 13.17 -10.82 C:6 15.59 -13.62 C:7 16.82 -12.93 C:11 15.59 -9.43 C:13 19.04 -11.11 C:12 14.38 -8.72 C:3 11.96 -12.93 C:9 15.59 -10.82 C:4 13.17 -13.62 C:5 14.38 -12.93 C:10 14.38 -11.53 C:8 16.82 -11.53 22 1 -1 2 17 1 21 3 -1 21 4 -2 23 5 -2 6 18 2 7 19 2 8 18 1 9 10 2 9 17 1 24 10 -2 11 17 2 24 11 -1 12 13 1 12 19 1 13 23 1 14 15 1 14 22 1 15 24 1 16 18 1 20 16 -2 19 21 1 20 23 1 20 24 1 21 22 1 22 23 1', '24 26 H 14.38 -14.03 C 20.43 -11.29 C 12.12 -14.73 C 14.01 -14.91 C 14.38 -10.12 O 13.17 -9.43 O 10.74 -13.62 O 14.38 -7.32 C 18.37 -9.87 C 16.99 -10.13 C 18.08 -12.12 C 11.96 -11.53 C 13.17 -10.82 C 15.59 -13.62 C 16.82 -12.93 C 15.59 -9.43 C 19.04 -11.11 C 14.38 -8.72 C 11.96 -12.93 C 15.59 -10.82 C 13.17 -13.62 C 14.38 -12.93 C 14.38 -11.53 C 16.82 -11.53 22 1 -1 2 17 1 21 3 -1 21 4 -2 23 5 -2 6 18 2 7 19 2 8 18 1 9 10 2 9 17 1 24 10 -2 11 17 2 24 11 -1 12 13 1 12 19 1 13 23 1 14 15 1 14 22 1 15 24 1 16 18 1 20 16 -2 19 21 1 20 23 1 20 24 1 21 22 1 22 23 1', '24 26 H 14.38 -14.03 C:16 20.43 -11.29 C:26 12.12 -14.73 C:21 14.01 -14.91 C:15 14.38 -10.12 O 13.17 -9.43 O 10.74 -13.62 O 14.38 -7.32 C:141 18.37 -9.87 C:140 16.99 -10.13 C:136 18.08 -12.12 C:34 11.96 -11.53 C:38 13.17 -10.82 C:23 15.59 -13.62 C:33 16.82 -12.93 C:30 15.59 -9.43 C:139 19.04 -11.11 C:180 14.38 -8.72 C:217 11.96 -12.93 C:49 15.59 -10.82 C:47 13.17 -13.62 C:55 14.38 -12.93 C:38 14.38 -11.53 C:60 16.82 -11.53 22 1 -1 2 17 1 21 3 -1 21 4 -2 23 5 -2 6 18 2 7 19 2 8 18 1 9 10 2 9 17 1 24 10 -2 11 17 2 24 11 -1 12 13 1 12 19 1 13 23 1 14 15 1 14 22 1 15 24 1 16 18 1 20 16 -2 19 21 1 20 23 1 20 24 1 21 22 1 22 23 1', 'C20H28O3', 316.22, 'C', 'np00_222_4', 467, '', '', '1', 5, NULL, NULL),
(8216, 'Comnostin A', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:7]23[CH2:6][CH2:5][C@@:4]1([CH3:21])[C@:3]([CH3:22])([CH2:23]O)[CH2:2][CH2:1][C@@:9]1([H])[C@@:8]2([CH3:24])[CH2:10][CH2:11][C@@H:12]([CH3:26])[C@@:13]3([CH3:25])[CH2:14][c:15]4[cH:16][c:17]([C:27](=O)O)[cH:18][cH:19][c:20]4O', '[H][C@]23CC[C@@]1(C)[C@](C)(CO)CC[C@@]1([H])[C@@]2(C)CC[C@@H](C)[C@@]3(C)Cc4cc(C(=O)O)ccc4O', '[H][C@:52]23[CH2:21][CH2:35][C@@:48]1([CH3:18])[C@:56]([CH3:24])([CH2:70]O)[CH2:35][CH2:21][C@@:59]1([H])[C@@:38]2([CH3:17])[CH2:41][CH2:28][C@@H:37]([CH3:18])[C@@:42]3([CH3:18])[CH2:37][c:126]4[cH:136][c:122]([C:168](=O)O)[cH:130][cH:116][c:161]4O', '33 36 H 15.63 -11.11 H 13.16 -11.11 C:26 18.09 -9.17 C:22 11.36 -15.26 C:25 18.09 -10.60 C:21 13.16 -14.88 C:24 14.38 -12.74 O 19.31 -7.03 O 9.38 -13.38 O 21.80 -7.03 O 20.57 -13.45 C:19 21.80 -11.31 C:18 21.80 -9.89 C:16 19.31 -9.89 C:23 10.34 -14.33 C:11 15.63 -9.17 C:10 14.38 -9.89 C:2 10.96 -12.75 C:1 11.80 -11.59 C:6 15.63 -13.45 C:5 14.38 -14.15 C:14 18.09 -12.03 C:27 20.57 -7.74 C:20 20.57 -12.03 C:17 20.57 -9.17 C:15 19.31 -11.31 C:12 16.84 -9.89 C:3 11.80 -13.89 C:7 15.63 -12.03 C:9 13.16 -12.03 C:13 16.84 -11.31 C:4 13.16 -13.45 C:8 14.38 -11.31 29 1 -2 30 2 -2 27 3 -1 28 4 -1 31 5 -2 32 6 -2 33 7 -2 8 23 2 9 15 1 10 23 1 11 24 1 12 13 2 12 24 1 13 25 1 14 25 2 14 26 1 28 15 -2 16 17 1 16 27 1 17 33 1 18 19 1 18 28 1 19 30 1 20 21 1 20 29 1 21 32 1 22 26 1 31 22 -1 23 25 1 24 26 2 27 31 1 28 32 1 29 31 1 29 33 1 30 32 1 30 33 1', '33 36 H 15.63 -11.11 H 13.16 -11.11 C 18.09 -9.17 C 11.36 -15.26 C 18.09 -10.60 C 13.16 -14.88 C 14.38 -12.74 O 19.31 -7.03 O 9.38 -13.38 O 21.80 -7.03 O 20.57 -13.45 C 21.80 -11.31 C 21.80 -9.89 C 19.31 -9.89 C 10.34 -14.33 C 15.63 -9.17 C 14.38 -9.89 C 10.96 -12.75 C 11.80 -11.59 C 15.63 -13.45 C 14.38 -14.15 C 18.09 -12.03 C 20.57 -7.74 C 20.57 -12.03 C 20.57 -9.17 C 19.31 -11.31 C 16.84 -9.89 C 11.80 -13.89 C 15.63 -12.03 C 13.16 -12.03 C 16.84 -11.31 C 13.16 -13.45 C 14.38 -11.31 29 1 -2 30 2 -2 27 3 -1 28 4 -1 31 5 -2 32 6 -2 33 7 -2 8 23 2 9 15 1 10 23 1 11 24 1 12 13 2 12 24 1 13 25 1 14 25 2 14 26 1 28 15 -2 16 17 1 16 27 1 17 33 1 18 19 1 18 28 1 19 30 1 20 21 1 20 29 1 21 32 1 22 26 1 31 22 -1 23 25 1 24 26 2 27 31 1 28 32 1 29 31 1 29 33 1 30 32 1 30 33 1', '33 36 H 15.63 -11.11 H 13.16 -11.11 C:18 18.09 -9.17 C:24 11.36 -15.26 C:18 18.09 -10.60 C:18 13.16 -14.88 C:17 14.38 -12.74 O 19.31 -7.03 O 9.38 -13.38 O 21.80 -7.03 O 20.57 -13.45 C:116 21.80 -11.31 C:130 21.80 -9.89 C:136 19.31 -9.89 C:70 10.34 -14.33 C:28 15.63 -9.17 C:41 14.38 -9.89 C:35 10.96 -12.75 C:21 11.80 -11.59 C:21 15.63 -13.45 C:35 14.38 -14.15 C:37 18.09 -12.03 C:168 20.57 -7.74 C:161 20.57 -12.03 C:122 20.57 -9.17 C:126 19.31 -11.31 C:37 16.84 -9.89 C:56 11.80 -13.89 C:52 15.63 -12.03 C:59 13.16 -12.03 C:42 16.84 -11.31 C:48 13.16 -13.45 C:38 14.38 -11.31 29 1 -2 30 2 -2 27 3 -1 28 4 -1 31 5 -2 32 6 -2 33 7 -2 8 23 2 9 15 1 10 23 1 11 24 1 12 13 2 12 24 1 13 25 1 14 25 2 14 26 1 28 15 -2 16 17 1 16 27 1 17 33 1 18 19 1 18 28 1 19 30 1 20 21 1 20 29 1 21 32 1 22 26 1 31 22 -1 23 25 1 24 26 2 27 31 1 28 32 1 29 31 1 29 33 1 30 32 1 30 33 1', 'C27H40O4', 428.302, 'M', 'np00_339_1', 997, '', '', '1', 5, NULL, NULL),
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(8232, 'Tricholomalide A', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:8]34[CH2:9][C@@:10]1([CH3:18])[C@H:14]([CH:15]([CH3:16])[CH3:17])[CH2:13][C:12](=O)[C@@:11]1([H])[C@:1]2([H])O[CH2:4][C:3](=[CH2:20])[C@:2]2(O)[C@:5]3([CH3:19])[CH2:6][C:7](=O)O4', '[H][C@@]34C[C@@]1(C)[C@H](C(C)C)CC(=O)[C@@]1([H])[C@]2([H])OCC(=C)[C@]2(O)[C@]3(C)CC(=O)O4', '[H][C@@:84]34[CH2:39][C@@:43]1([CH3:24])[C@H:44]([CH:29]([CH3:23])[CH3:23])[CH2:40][C:216](=O)[C@@:62]1([H])[C@:79]2([H])O[CH2:72][C:154](=[CH2:109])[C@:80]2(O)[C@:46]3([CH3:25])[CH2:35][C:176](=O)O4', '28 31 H 16.31 -9.23 H 14.53 -12.05 H 13.14 -12.65 C:20 17.57 -14.63 C:16 11.01 -7.44 C:17 13.53 -7.22 C:18 13.71 -8.79 C:19 17.09 -12.99 O 20.08 -10.14 O 11.20 -13.05 O 15.75 -11.38 C:4 15.02 -15.04 C:13 11.38 -10.46 C:6 18.08 -11.81 C:9 15.02 -9.63 O 13.84 -14.20 O 17.57 -9.51 C:3 16.19 -14.20 C:7 18.67 -10.46 C:12 11.94 -11.81 C:15 12.33 -8.07 C:14 12.47 -9.51 C:8 16.31 -10.25 C:1 14.31 -12.80 C:11 13.39 -11.68 C:10 13.71 -10.25 C:5 16.64 -11.68 C:2 15.75 -12.80 23 1 -2 24 2 -2 25 3 -1 4 18 2 5 21 1 6 21 1 26 7 -1 27 8 -2 9 19 2 10 20 2 28 11 -2 12 16 1 12 18 1 13 20 1 13 22 1 14 19 1 14 27 1 15 23 1 15 26 1 16 24 1 17 19 1 17 23 1 18 28 1 20 25 1 22 21 -1 22 26 1 23 27 1 24 25 1 24 28 1 25 26 1 27 28 1', '28 31 H 16.31 -9.23 H 14.53 -12.05 H 13.14 -12.65 C 17.57 -14.63 C 11.01 -7.44 C 13.53 -7.22 C 13.71 -8.79 C 17.09 -12.99 O 20.08 -10.14 O 11.20 -13.05 O 15.75 -11.38 C 15.02 -15.04 C 11.38 -10.46 C 18.08 -11.81 C 15.02 -9.63 O 13.84 -14.20 O 17.57 -9.51 C 16.19 -14.20 C 18.67 -10.46 C 11.94 -11.81 C 12.33 -8.07 C 12.47 -9.51 C 16.31 -10.25 C 14.31 -12.80 C 13.39 -11.68 C 13.71 -10.25 C 16.64 -11.68 C 15.75 -12.80 23 1 -2 24 2 -2 25 3 -1 4 18 2 5 21 1 6 21 1 26 7 -1 27 8 -2 9 19 2 10 20 2 28 11 -2 12 16 1 12 18 1 13 20 1 13 22 1 14 19 1 14 27 1 15 23 1 15 26 1 16 24 1 17 19 1 17 23 1 18 28 1 20 25 1 22 21 -1 22 26 1 23 27 1 24 25 1 24 28 1 25 26 1 27 28 1', '28 31 H 16.31 -9.23 H 14.53 -12.05 H 13.14 -12.65 C:109 17.57 -14.63 C:23 11.01 -7.44 C:23 13.53 -7.22 C:24 13.71 -8.79 C:25 17.09 -12.99 O 20.08 -10.14 O 11.20 -13.05 O 15.75 -11.38 C:72 15.02 -15.04 C:40 11.38 -10.46 C:35 18.08 -11.81 C:39 15.02 -9.63 O 13.84 -14.20 O 17.57 -9.51 C:154 16.19 -14.20 C:176 18.67 -10.46 C:216 11.94 -11.81 C:29 12.33 -8.07 C:44 12.47 -9.51 C:84 16.31 -10.25 C:79 14.31 -12.80 C:62 13.39 -11.68 C:43 13.71 -10.25 C:46 16.64 -11.68 C:80 15.75 -12.80 23 1 -2 24 2 -2 25 3 -1 4 18 2 5 21 1 6 21 1 26 7 -1 27 8 -2 9 19 2 10 20 2 28 11 -2 12 16 1 12 18 1 13 20 1 13 22 1 14 19 1 14 27 1 15 23 1 15 26 1 16 24 1 17 19 1 17 23 1 18 28 1 20 25 1 22 21 -1 22 26 1 23 27 1 24 25 1 24 28 1 25 26 1 27 28 1', 'C20H28O5', 348.235, 'C', 'np03_1578_1', 2308, 'C-5 and C-7 Interchanged', '', '1', 5, 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
(8233, 'Tricholomalide B', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:8]12[CH2:9][C@:10]3([CH3:18])[C:11](=[CH:1][C@:2](O)([C:3](=[CH2:3001])[CH2:4]O)[C@:5]1([CH3:19])[CH2:6][C:7](=O)O2)[C:12](=O)[CH2:13][C@H:14]3[CH:15]([CH3:16])[CH3:17]', '[H][C@@]12C[C@]3(C)C(=C[C@](O)(C(=C)CO)[C@]1(C)CC(=O)O2)C(=O)C[C@H]3C(C)C', '[H][C@@:86]12[CH2:37][C@:44]3([CH3:30])[C:149](=[CH:135][C@:76](O)([C:149](=[CH2:120])[CH2:66]O)[C@:48]1([CH3:26])[CH2:35][C:176](=O)O2)[C:206](=O)[CH2:39][C@H:47]3[CH:29]([CH3:24])[CH3:22]', '26 28 H 16.34 -8.62 C:3001 14.60 -14.21 C:16 11.14 -6.88 C:17 13.60 -6.66 C:18 13.74 -8.21 C:19 17.68 -12.00 O 20.01 -9.50 O 11.31 -12.35 O 17.04 -15.58 O 17.00 -12.79 C:1 14.36 -12.11 C:4 17.02 -14.18 C:13 11.49 -9.82 C:6 18.08 -11.13 C:9 15.06 -9.01 O 17.57 -8.89 C:3 15.80 -13.50 C:7 18.64 -9.82 C:12 12.03 -11.13 C:11 13.47 -11.01 C:15 12.42 -7.49 C:14 12.56 -8.89 C:8 16.34 -9.61 C:10 13.78 -9.61 C:5 16.66 -11.01 C:2 15.78 -12.11 23 1 -2 2 17 2 3 21 1 4 21 1 24 5 -1 25 6 -2 7 18 2 8 19 2 9 12 1 26 10 -2 11 20 2 11 26 1 12 17 1 13 19 1 13 22 1 14 18 1 14 25 1 15 23 1 15 24 1 16 18 1 16 23 1 26 17 -1 19 20 1 20 24 1 22 21 -1 22 24 1 23 25 1 25 26 1', '26 28 H 16.34 -8.62 C 14.60 -14.21 C 11.14 -6.88 C 13.60 -6.66 C 13.74 -8.21 C 17.68 -12.00 O 20.01 -9.50 O 11.31 -12.35 O 17.04 -15.58 O 17.00 -12.79 C 14.36 -12.11 C 17.02 -14.18 C 11.49 -9.82 C 18.08 -11.13 C 15.06 -9.01 O 17.57 -8.89 C 15.80 -13.50 C 18.64 -9.82 C 12.03 -11.13 C 13.47 -11.01 C 12.42 -7.49 C 12.56 -8.89 C 16.34 -9.61 C 13.78 -9.61 C 16.66 -11.01 C 15.78 -12.11 23 1 -2 2 17 2 3 21 1 4 21 1 24 5 -1 25 6 -2 7 18 2 8 19 2 9 12 1 26 10 -2 11 20 2 11 26 1 12 17 1 13 19 1 13 22 1 14 18 1 14 25 1 15 23 1 15 24 1 16 18 1 16 23 1 26 17 -1 19 20 1 20 24 1 22 21 -1 22 24 1 23 25 1 25 26 1', '26 28 H 16.34 -8.62 C:120 14.60 -14.21 C:24 11.14 -6.88 C:22 13.60 -6.66 C:30 13.74 -8.21 C:26 17.68 -12.00 O 20.01 -9.50 O 11.31 -12.35 O 17.04 -15.58 O 17.00 -12.79 C:135 14.36 -12.11 C:66 17.02 -14.18 C:39 11.49 -9.82 C:35 18.08 -11.13 C:37 15.06 -9.01 O 17.57 -8.89 C:149 15.80 -13.50 C:176 18.64 -9.82 C:206 12.03 -11.13 C:149 13.47 -11.01 C:29 12.42 -7.49 C:47 12.56 -8.89 C:86 16.34 -9.61 C:44 13.78 -9.61 C:48 16.66 -11.01 C:76 15.78 -12.11 23 1 -2 2 17 2 3 21 1 4 21 1 24 5 -1 25 6 -2 7 18 2 8 19 2 9 12 1 26 10 -2 11 20 2 11 26 1 12 17 1 13 19 1 13 22 1 14 18 1 14 25 1 15 23 1 15 24 1 16 18 1 16 23 1 26 17 -1 19 20 1 20 24 1 22 21 -1 22 24 1 23 25 1 25 26 1', 'C20H28O5', 348.219, 'C', 'np03_1578_2', 2308, 'C-5 and C-7 Interchanged', '', '1', 5, NULL, NULL),
(8234, 'Tricholomalide C', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH2:3001]=[C:3]([CH2:4]O)[C@:2]23[CH:1]=[C:11]1[C:12](=O)[CH2:13][C@@H:14]([CH:15]([CH3:17])[CH3:16])[C@:10]1([CH3:18])[CH2:9][C@@H:8](O)[C@@:5]2([CH3:19])[CH2:6][C:7](=O)O3', 'C=C(CO)[C@]23C=C1C(=O)C[C@@H](C(C)C)[C@]1(C)C[C@@H](O)[C@@]2(C)CC(=O)O3', '[CH2:118]=[C:148]([CH2:64]O)[C@:89]23[CH:128]=[C:152]1[C:195](=O)[CH2:41][C@@H:49]([CH:29]([CH3:22])[CH3:24])[C@:45]1([CH3:21])[CH2:40][C@@H:72](O)[C@@:50]2([CH3:22])[CH2:34][C:177](=O)O3', '25 27 C:3001 14.16 -13.20 C:17 14.16 -6.63 C:16 11.69 -6.85 C:18 14.29 -8.17 C:19 18.01 -9.88 O 19.46 -13.70 O 11.86 -12.29 O 15.49 -15.62 O 17.89 -8.67 C:1 14.87 -12.05 C:4 16.22 -14.44 C:13 12.03 -9.77 C:6 18.44 -11.46 C:9 15.55 -8.97 O 17.04 -13.20 C:3 15.55 -13.23 C:7 18.44 -12.83 C:12 12.58 -11.08 C:11 13.99 -10.96 C:15 12.97 -7.45 C:8 16.83 -9.56 C:14 13.09 -8.85 C:10 14.29 -9.56 C:5 17.15 -10.96 C:2 16.27 -12.05 1 16 2 2 20 1 3 20 1 23 4 -1 24 5 -2 6 17 2 7 18 2 8 11 1 21 9 -1 10 19 2 10 25 1 11 16 1 12 18 1 12 22 1 13 17 1 13 24 1 14 21 1 14 23 1 15 17 1 15 25 1 25 16 -2 18 19 1 19 23 1 22 20 -1 21 24 1 22 23 1 24 25 1', '25 27 C 14.16 -13.20 C 14.16 -6.63 C 11.69 -6.85 C 14.29 -8.17 C 18.01 -9.88 O 19.46 -13.70 O 11.86 -12.29 O 15.49 -15.62 O 17.89 -8.67 C 14.87 -12.05 C 16.22 -14.44 C 12.03 -9.77 C 18.44 -11.46 C 15.55 -8.97 O 17.04 -13.20 C 15.55 -13.23 C 18.44 -12.83 C 12.58 -11.08 C 13.99 -10.96 C 12.97 -7.45 C 16.83 -9.56 C 13.09 -8.85 C 14.29 -9.56 C 17.15 -10.96 C 16.27 -12.05 1 16 2 2 20 1 3 20 1 23 4 -1 24 5 -2 6 17 2 7 18 2 8 11 1 21 9 -1 10 19 2 10 25 1 11 16 1 12 18 1 12 22 1 13 17 1 13 24 1 14 21 1 14 23 1 15 17 1 15 25 1 25 16 -2 18 19 1 19 23 1 22 20 -1 21 24 1 22 23 1 24 25 1', '25 27 C:118 14.16 -13.20 C:22 14.16 -6.63 C:24 11.69 -6.85 C:21 14.29 -8.17 C:22 18.01 -9.88 O 19.46 -13.70 O 11.86 -12.29 O 15.49 -15.62 O 17.89 -8.67 C:128 14.87 -12.05 C:64 16.22 -14.44 C:41 12.03 -9.77 C:34 18.44 -11.46 C:40 15.55 -8.97 O 17.04 -13.20 C:148 15.55 -13.23 C:177 18.44 -12.83 C:195 12.58 -11.08 C:152 13.99 -10.96 C:29 12.97 -7.45 C:72 16.83 -9.56 C:49 13.09 -8.85 C:45 14.29 -9.56 C:50 17.15 -10.96 C:89 16.27 -12.05 1 16 2 2 20 1 3 20 1 23 4 -1 24 5 -2 6 17 2 7 18 2 8 11 1 21 9 -1 10 19 2 10 25 1 11 16 1 12 18 1 12 22 1 13 17 1 13 24 1 14 21 1 14 23 1 15 17 1 15 25 1 25 16 -2 18 19 1 19 23 1 22 20 -1 21 24 1 22 23 1 24 25 1', 'C20H28O5', 348.211, 'C', 'np03_1578_3', 2308, 'C-5 and C-7 Interchanged', '', '1', 5, 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
(8253, 'Caucanolide D', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:10]2([CH2:9][C:8]([CH3:19])=[CH:7][C@@:6]1(O[CH3:21])[CH:5]=[C:4]([CH3:18])[C:3](=O)O1)[CH:11]=[C:12]([CH2:13][CH2:14][C:1]([CH:2]=O)=[C:15]([CH3:17])[CH3:16])[C:20](=O)O2', '[H][C@@]2(CC(C)=C[C@@]1(OC)C=C(C)C(=O)O1)C=C(CCC(C=O)=C(C)C)C(=O)O2', '[H][C@@:79]2([CH2:44][C:140]([CH3:18])=[CH:124][C@@:107]1(O[CH3:52])[CH:145]=[C:132]([CH3:10])[C:172](=O)O1)[CH:148]=[C:134]([CH2:25][CH2:23][C:157]([CH:191]=O)=[C:136]([CH3:24])[CH3:19])[C:173](=O)O2', '28 29 H 15.36 -10.05 C:21 20.66 -7.75 C:17 9.90 -13.66 C:16 7.66 -12.67 C:19 18.05 -12.02 C:18 23.77 -9.70 O 7.41 -10.24 O 22.83 -12.62 O 13.94 -14.51 C:2 8.81 -10.10 C:7 18.80 -9.70 C:5 21.29 -9.31 C:11 13.99 -10.86 C:14 11.03 -11.08 C:13 11.87 -12.22 C:9 16.42 -10.21 O 19.71 -8.80 O 15.52 -12.56 O 20.59 -11.48 C:15 9.06 -12.53 C:8 17.76 -10.64 C:4 22.43 -10.14 C:3 22.00 -11.48 C:20 14.23 -13.13 C:1 9.63 -11.24 C:12 13.28 -12.08 C:10 15.37 -11.16 C:6 20.14 -10.14 27 1 -2 2 17 1 3 20 1 4 20 1 5 21 1 6 22 1 7 10 2 8 23 2 9 24 2 10 25 1 11 21 2 11 28 1 12 22 2 12 28 1 13 26 2 13 27 1 14 15 1 14 25 1 15 26 1 16 21 1 16 27 1 28 17 -2 18 24 1 18 27 1 19 23 1 19 28 1 20 25 2 22 23 1 24 26 1', '28 29 H 15.36 -10.05 C 20.66 -7.75 C 9.90 -13.66 C 7.66 -12.67 C 18.05 -12.02 C 23.77 -9.70 O 7.41 -10.24 O 22.83 -12.62 O 13.94 -14.51 C 8.81 -10.10 C 18.80 -9.70 C 21.29 -9.31 C 13.99 -10.86 C 11.03 -11.08 C 11.87 -12.22 C 16.42 -10.21 O 19.71 -8.80 O 15.52 -12.56 O 20.59 -11.48 C 9.06 -12.53 C 17.76 -10.64 C 22.43 -10.14 C 22.00 -11.48 C 14.23 -13.13 C 9.63 -11.24 C 13.28 -12.08 C 15.37 -11.16 C 20.14 -10.14 27 1 -2 2 17 1 3 20 1 4 20 1 5 21 1 6 22 1 7 10 2 8 23 2 9 24 2 10 25 1 11 21 2 11 28 1 12 22 2 12 28 1 13 26 2 13 27 1 14 15 1 14 25 1 15 26 1 16 21 1 16 27 1 28 17 -2 18 24 1 18 27 1 19 23 1 19 28 1 20 25 2 22 23 1 24 26 1', '28 29 H 15.36 -10.05 C:52 20.66 -7.75 C:24 9.90 -13.66 C:19 7.66 -12.67 C:18 18.05 -12.02 C:10 23.77 -9.70 O 7.41 -10.24 O 22.83 -12.62 O 13.94 -14.51 C:191 8.81 -10.10 C:124 18.80 -9.70 C:145 21.29 -9.31 C:148 13.99 -10.86 C:23 11.03 -11.08 C:25 11.87 -12.22 C:44 16.42 -10.21 O 19.71 -8.80 O 15.52 -12.56 O 20.59 -11.48 C:136 9.06 -12.53 C:140 17.76 -10.64 C:132 22.43 -10.14 C:172 22.00 -11.48 C:173 14.23 -13.13 C:157 9.63 -11.24 C:134 13.28 -12.08 C:79 15.37 -11.16 C:107 20.14 -10.14 27 1 -2 2 17 1 3 20 1 4 20 1 5 21 1 6 22 1 7 10 2 8 23 2 9 24 2 10 25 1 11 21 2 11 28 1 12 22 2 12 28 1 13 26 2 13 27 1 14 15 1 14 25 1 15 26 1 16 21 1 16 27 1 28 17 -2 18 24 1 18 27 1 19 23 1 19 28 1 20 25 2 22 23 1 24 26 1', 'C21H26O6', 374.229, 'C', 'np05_1519_4', 1730, '', '', '1', 5, NULL, NULL),
(8254, 'Caucanolide E', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:10]2([CH2:9][C@:8]([CH3:19])([CH:7]=[c:6]1[cH:5][c:4]([CH3:18])[c:3](=O)o1)O[CH3:8002])[CH:11]=[C:12]([CH2:13][CH2:14][C:1]([CH:2]=O)=[C:15]([CH3:17])[CH3:16])[C:20](=O)O2', '[H][C@@]2(C[C@](C)(C=c1cc(C)c(=O)o1)OC)C=C(CCC(C=O)=C(C)C)C(=O)O2', '[H][C@@:78]2([CH2:45][C@:76]([CH3:24])([CH:116]=[c:148]1[cH:139][c:130]([CH3:11])[c:171](=O)o1)O[CH3:51])[CH:150]=[C:133]([CH2:24][CH2:23][C:157]([CH:191]=O)=[C:136]([CH3:23])[CH3:19])[C:174](=O)O2', '28 29 H 15.32 -9.37 C:8002 18.54 -12.19 C:17 9.86 -12.91 C:16 7.61 -11.90 C:18 23.75 -8.93 C:19 17.11 -11.14 O 7.36 -9.46 O 13.91 -13.75 O 22.80 -11.85 C:2 8.76 -9.32 C:11 13.96 -10.09 C:7 18.79 -8.93 C:5 21.28 -8.54 C:14 11.01 -10.31 C:13 11.85 -11.45 C:9 16.39 -9.43 O 18.81 -10.79 O 15.49 -11.79 O 20.57 -10.71 C:15 9.01 -11.75 C:20 14.20 -12.36 C:1 9.60 -10.46 C:12 13.25 -11.31 C:4 22.41 -9.36 C:6 20.13 -9.36 C:3 21.97 -10.71 C:10 15.34 -10.38 C:8 17.73 -9.87 27 1 -2 2 17 1 3 20 1 4 20 1 5 24 1 28 6 -1 7 10 2 8 21 2 9 26 2 10 22 1 11 23 2 11 27 1 12 25 2 12 28 1 13 24 2 13 25 1 14 15 1 14 22 1 15 23 1 16 27 1 16 28 1 28 17 -2 18 21 1 18 27 1 19 25 1 19 26 1 20 22 2 21 23 1 24 26 1', '28 29 H 15.32 -9.37 C 18.54 -12.19 C 9.86 -12.91 C 7.61 -11.90 C 23.75 -8.93 C 17.11 -11.14 O 7.36 -9.46 O 13.91 -13.75 O 22.80 -11.85 C 8.76 -9.32 C 13.96 -10.09 C 18.79 -8.93 C 21.28 -8.54 C 11.01 -10.31 C 11.85 -11.45 C 16.39 -9.43 O 18.81 -10.79 O 15.49 -11.79 O 20.57 -10.71 C 9.01 -11.75 C 14.20 -12.36 C 9.60 -10.46 C 13.25 -11.31 C 22.41 -9.36 C 20.13 -9.36 C 21.97 -10.71 C 15.34 -10.38 C 17.73 -9.87 27 1 -2 2 17 1 3 20 1 4 20 1 5 24 1 28 6 -1 7 10 2 8 21 2 9 26 2 10 22 1 11 23 2 11 27 1 12 25 2 12 28 1 13 24 2 13 25 1 14 15 1 14 22 1 15 23 1 16 27 1 16 28 1 28 17 -2 18 21 1 18 27 1 19 25 1 19 26 1 20 22 2 21 23 1 24 26 1', '28 29 H 15.32 -9.37 C:51 18.54 -12.19 C:23 9.86 -12.91 C:19 7.61 -11.90 C:11 23.75 -8.93 C:24 17.11 -11.14 O 7.36 -9.46 O 13.91 -13.75 O 22.80 -11.85 C:191 8.76 -9.32 C:150 13.96 -10.09 C:116 18.79 -8.93 C:139 21.28 -8.54 C:23 11.01 -10.31 C:24 11.85 -11.45 C:45 16.39 -9.43 O 18.81 -10.79 O 15.49 -11.79 O 20.57 -10.71 C:136 9.01 -11.75 C:174 14.20 -12.36 C:157 9.60 -10.46 C:133 13.25 -11.31 C:130 22.41 -9.36 C:148 20.13 -9.36 C:171 21.97 -10.71 C:78 15.34 -10.38 C:76 17.73 -9.87 27 1 -2 2 17 1 3 20 1 4 20 1 5 24 1 28 6 -1 7 10 2 8 21 2 9 26 2 10 22 1 11 23 2 11 27 1 12 25 2 12 28 1 13 24 2 13 25 1 14 15 1 14 22 1 15 23 1 16 27 1 16 28 1 28 17 -2 18 21 1 18 27 1 19 25 1 19 26 1 20 22 2 21 23 1 24 26 1', 'C21H26O6', 374.229, 'C', 'np05_1519_5', 1730, '', '', '1', 5, NULL, NULL),
(8255, 'Caucanolide F', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:10]2([CH2:9][C@@:8]([CH3:19])([CH:7]=[c:6]1[cH:5][c:4]([CH3:18])[c:3](=O)o1)O[CH3:8002])[CH:11]=[C:12]([CH2:13][CH2:14][C:1]([CH:2]=O)=[C:15]([CH3:17])[CH3:16])[C:20](=O)O2', '[H][C@@]2(C[C@@](C)(C=c1cc(C)c(=O)o1)OC)C=C(CCC(C=O)=C(C)C)C(=O)O2', '[H][C@@:78]2([CH2:43][C@@:76]([CH3:23])([CH:117]=[c:148]1[cH:139][c:130]([CH3:11])[c:171](=O)o1)O[CH3:51])[CH:150]=[C:133]([CH2:24][CH2:24][C:157]([CH:191]=O)=[C:136]([CH3:24])[CH3:19])[C:174](=O)O2', '28 29 H 15.34 -9.38 C:8002 17.91 -12.33 C:17 9.87 -12.91 C:16 7.62 -11.91 C:18 23.77 -8.94 C:19 18.84 -10.79 O 7.37 -9.47 O 13.91 -13.76 O 22.84 -11.86 C:2 8.77 -9.33 C:11 13.96 -10.10 C:7 18.82 -8.94 C:5 21.31 -8.54 C:14 11.03 -10.32 C:13 11.87 -11.47 C:9 16.40 -9.44 O 17.12 -11.16 O 15.50 -11.80 O 20.60 -10.71 C:15 9.02 -11.77 C:20 14.20 -12.37 C:1 9.61 -10.47 C:12 13.26 -11.33 C:4 22.44 -9.37 C:6 20.16 -9.37 C:3 22.01 -10.71 C:10 15.35 -10.39 C:8 17.75 -9.88 27 1 -2 2 17 1 3 20 1 4 20 1 5 24 1 28 6 -2 7 10 2 8 21 2 9 26 2 10 22 1 11 23 2 11 27 1 12 25 2 12 28 1 13 24 2 13 25 1 14 15 1 14 22 1 15 23 1 16 27 1 16 28 1 28 17 -1 18 21 1 18 27 1 19 25 1 19 26 1 20 22 2 21 23 1 24 26 1', '28 29 H 15.34 -9.38 C 17.91 -12.33 C 9.87 -12.91 C 7.62 -11.91 C 23.77 -8.94 C 18.84 -10.79 O 7.37 -9.47 O 13.91 -13.76 O 22.84 -11.86 C 8.77 -9.33 C 13.96 -10.10 C 18.82 -8.94 C 21.31 -8.54 C 11.03 -10.32 C 11.87 -11.47 C 16.40 -9.44 O 17.12 -11.16 O 15.50 -11.80 O 20.60 -10.71 C 9.02 -11.77 C 14.20 -12.37 C 9.61 -10.47 C 13.26 -11.33 C 22.44 -9.37 C 20.16 -9.37 C 22.01 -10.71 C 15.35 -10.39 C 17.75 -9.88 27 1 -2 2 17 1 3 20 1 4 20 1 5 24 1 28 6 -2 7 10 2 8 21 2 9 26 2 10 22 1 11 23 2 11 27 1 12 25 2 12 28 1 13 24 2 13 25 1 14 15 1 14 22 1 15 23 1 16 27 1 16 28 1 28 17 -1 18 21 1 18 27 1 19 25 1 19 26 1 20 22 2 21 23 1 24 26 1', '28 29 H 15.34 -9.38 C:51 17.91 -12.33 C:24 9.87 -12.91 C:19 7.62 -11.91 C:11 23.77 -8.94 C:23 18.84 -10.79 O 7.37 -9.47 O 13.91 -13.76 O 22.84 -11.86 C:191 8.77 -9.33 C:150 13.96 -10.10 C:117 18.82 -8.94 C:139 21.31 -8.54 C:24 11.03 -10.32 C:24 11.87 -11.47 C:43 16.40 -9.44 O 17.12 -11.16 O 15.50 -11.80 O 20.60 -10.71 C:136 9.02 -11.77 C:174 14.20 -12.37 C:157 9.61 -10.47 C:133 13.26 -11.33 C:130 22.44 -9.37 C:148 20.16 -9.37 C:171 22.01 -10.71 C:78 15.35 -10.39 C:76 17.75 -9.88 27 1 -2 2 17 1 3 20 1 4 20 1 5 24 1 28 6 -2 7 10 2 8 21 2 9 26 2 10 22 1 11 23 2 11 27 1 12 25 2 12 28 1 13 24 2 13 25 1 14 15 1 14 22 1 15 23 1 16 27 1 16 28 1 28 17 -1 18 21 1 18 27 1 19 25 1 19 26 1 20 22 2 21 23 1 24 26 1', 'C21H26O6', 374.229, 'C', 'np05_1519_6', 1730, '', '', '1', 5, 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
(8287, 'Cordifoliside E tetraacetate', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]24[CH2:1][CH2:2][C@@H:3](O[C@@H:101]1O[C@H:105]([CH2:106]O[C:106001]([CH3:106002])=O)[C@@H:104](O[C:104001]([CH3:104002])=O)[C@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O[C:102001]([CH3:102002])=O)[C:4]([C:18](=O)O[CH3:18001])=[C:5]2[CH2:6][CH2:7][C@:8]5(O)[C:17](=O)O[C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)[CH2:11][C@@:9]45[CH3:20]', '[H][C@@]24CC[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C(=O)OC)=C2CC[C@]5(O)C(=O)O[C@H](c3ccoc3)C[C@@]45C', '[H][C@@:39]24[CH2:19][CH2:26][C@@H:73](O[C@@H:51]1O[C@H:68]([CH2:73]O[C:171]([CH3:21])=O)[C@@H:72](O[C:170]([CH3:21])=O)[C@H:72](O[C:169]([CH3:21])=O)[C@H:100]1O[C:169]([CH3:21])=O)[C:151]([C:168](=O)O[CH3:62])=[C:126]2[CH2:27][CH2:30][C@:89]5(O)[C:178](=O)O[C@H:73]([c:124]3[cH:110][cH:141]o[cH:143]3)[CH2:44][C@@:50]45[CH3:20]', '51 55 H 18.61 -10.54 C:18001 18.61 -17.18 C:106002 10.11 -6.61 C:104002 7.65 -10.84 C:102002 13.67 -17.14 C:103002 8.86 -15.74 C:20 19.82 -12.25 O 12.54 -6.64 O 8.86 -12.94 O 14.90 -15.05 O 11.28 -15.74 O 16.15 -15.78 O 23.49 -11.54 O 21.04 -10.12 C:15 21.75 -5.13 C:14 22.20 -6.48 C:16 19.90 -6.48 C:6 19.82 -13.65 C:2 16.15 -11.54 C:1 17.39 -10.84 C:7 21.04 -12.95 C:106 12.50 -9.43 C:11 19.82 -9.42 O 18.61 -15.78 O 11.30 -8.72 O 10.07 -10.84 O 12.47 -15.03 O 10.07 -13.64 O 22.28 -9.42 O 14.93 -13.64 O 13.72 -11.54 O 20.34 -5.13 C:106001 11.32 -7.32 C:104001 8.86 -11.54 C:102001 13.68 -15.74 C:103001 10.07 -15.04 C:18 17.39 -15.06 C:17 22.28 -10.84 C:5 18.61 -12.95 C:4 17.39 -13.65 C:13 21.04 -7.31 C:3 16.15 -12.95 C:12 21.04 -8.72 C:105 12.50 -10.84 C:101 13.72 -12.94 C:104 11.28 -11.54 C:102 12.49 -13.64 C:103 11.28 -12.94 C:10 18.61 -11.54 C:9 19.82 -10.84 C:8 21.04 -11.54 49 1 -2 2 24 1 3 33 1 4 34 1 5 35 1 6 36 1 50 7 -1 8 33 2 9 34 2 10 35 2 11 36 2 12 37 2 13 38 2 51 14 -2 15 16 2 15 32 1 16 41 1 17 32 1 17 41 2 18 21 1 18 39 1 19 20 1 19 42 1 20 49 1 21 51 1 22 25 1 44 22 -1 23 43 1 23 50 1 24 37 1 25 33 1 26 34 1 46 26 -2 27 35 1 47 27 -2 28 36 1 48 28 -1 29 38 1 29 43 1 42 30 -2 45 30 -1 31 44 1 31 45 1 37 40 1 38 51 1 39 40 2 39 49 1 40 42 1 43 41 -1 44 46 1 45 47 1 46 48 1 47 48 1 49 50 1 50 51 1', '51 55 H 18.61 -10.54 C 18.61 -17.18 C 10.11 -6.61 C 7.65 -10.84 C 13.67 -17.14 C 8.86 -15.74 C 19.82 -12.25 O 12.54 -6.64 O 8.86 -12.94 O 14.90 -15.05 O 11.28 -15.74 O 16.15 -15.78 O 23.49 -11.54 O 21.04 -10.12 C 21.75 -5.13 C 22.20 -6.48 C 19.90 -6.48 C 19.82 -13.65 C 16.15 -11.54 C 17.39 -10.84 C 21.04 -12.95 C 12.50 -9.43 C 19.82 -9.42 O 18.61 -15.78 O 11.30 -8.72 O 10.07 -10.84 O 12.47 -15.03 O 10.07 -13.64 O 22.28 -9.42 O 14.93 -13.64 O 13.72 -11.54 O 20.34 -5.13 C 11.32 -7.32 C 8.86 -11.54 C 13.68 -15.74 C 10.07 -15.04 C 17.39 -15.06 C 22.28 -10.84 C 18.61 -12.95 C 17.39 -13.65 C 21.04 -7.31 C 16.15 -12.95 C 21.04 -8.72 C 12.50 -10.84 C 13.72 -12.94 C 11.28 -11.54 C 12.49 -13.64 C 11.28 -12.94 C 18.61 -11.54 C 19.82 -10.84 C 21.04 -11.54 49 1 -2 2 24 1 3 33 1 4 34 1 5 35 1 6 36 1 50 7 -1 8 33 2 9 34 2 10 35 2 11 36 2 12 37 2 13 38 2 51 14 -2 15 16 2 15 32 1 16 41 1 17 32 1 17 41 2 18 21 1 18 39 1 19 20 1 19 42 1 20 49 1 21 51 1 22 25 1 44 22 -1 23 43 1 23 50 1 24 37 1 25 33 1 26 34 1 46 26 -2 27 35 1 47 27 -2 28 36 1 48 28 -1 29 38 1 29 43 1 42 30 -2 45 30 -1 31 44 1 31 45 1 37 40 1 38 51 1 39 40 2 39 49 1 40 42 1 43 41 -1 44 46 1 45 47 1 46 48 1 47 48 1 49 50 1 50 51 1', '51 55 H 18.61 -10.54 C:62 18.61 -17.18 C:21 10.11 -6.61 C:21 7.65 -10.84 C:21 13.67 -17.14 C:21 8.86 -15.74 C:20 19.82 -12.25 O 12.54 -6.64 O 8.86 -12.94 O 14.90 -15.05 O 11.28 -15.74 O 16.15 -15.78 O 23.49 -11.54 O 21.04 -10.12 C:141 21.75 -5.13 C:110 22.20 -6.48 C:143 19.90 -6.48 C:27 19.82 -13.65 C:26 16.15 -11.54 C:19 17.39 -10.84 C:30 21.04 -12.95 C:73 12.50 -9.43 C:44 19.82 -9.42 O 18.61 -15.78 O 11.30 -8.72 O 10.07 -10.84 O 12.47 -15.03 O 10.07 -13.64 O 22.28 -9.42 O 14.93 -13.64 O 13.72 -11.54 O 20.34 -5.13 C:171 11.32 -7.32 C:170 8.86 -11.54 C:169 13.68 -15.74 C:169 10.07 -15.04 C:168 17.39 -15.06 C:178 22.28 -10.84 C:126 18.61 -12.95 C:151 17.39 -13.65 C:124 21.04 -7.31 C:73 16.15 -12.95 C:73 21.04 -8.72 C:68 12.50 -10.84 C:51 13.72 -12.94 C:72 11.28 -11.54 C:100 12.49 -13.64 C:72 11.28 -12.94 C:39 18.61 -11.54 C:50 19.82 -10.84 C:89 21.04 -11.54 49 1 -2 2 24 1 3 33 1 4 34 1 5 35 1 6 36 1 50 7 -1 8 33 2 9 34 2 10 35 2 11 36 2 12 37 2 13 38 2 51 14 -2 15 16 2 15 32 1 16 41 1 17 32 1 17 41 2 18 21 1 18 39 1 19 20 1 19 42 1 20 49 1 21 51 1 22 25 1 44 22 -1 23 43 1 23 50 1 24 37 1 25 33 1 26 34 1 46 26 -2 27 35 1 47 27 -2 28 36 1 48 28 -1 29 38 1 29 43 1 42 30 -2 45 30 -1 31 44 1 31 45 1 37 40 1 38 51 1 39 40 2 39 49 1 40 42 1 43 41 -1 44 46 1 45 47 1 46 48 1 47 48 1 49 50 1 50 51 1', 'C34H42O16', 706.362, 'C', 'ph39_1139_2a', 683, '', '', '1', 5, NULL, NULL),
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