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
(11713, '', '2-Hydroxy-9(10-->20)abeo-abieta-1,5,8,10(20),13-pentaene-3,7,11,12-tetraone', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:16][CH:15]([CH3:17])[c:13]3[cH:14][c:8]2[c:7](=O)[cH:6][c:5]1[c:10]([CH:1]=[C:2](O)[C:3](=O)[C@@:4]1([CH3:19])[CH3:18])[cH:20][c:9]2[c:11](=O)[c:12]3=O', 'CC(C)c3cc2c(=O)cc1c(C=C(O)C(=O)[C@@]1(C)C)cc2c(=O)c3=O', '[CH3:21][CH:26]([CH3:21])[c:147]3[cH:141][c:138]2[c:180](=O)[cH:142][c:154]1[c:132]([CH:145]=[C:154](O)[C:199](=O)[C@@:52]1([CH3:28])[CH3:28])[cH:130][c:129]2[c:199](=O)[c:199]3=O', '25 27 C:16 21.69 -9.09 C:17 21.50 -11.49 C:19 12.02 -13.57 C:18 14.04 -13.66 O 10.62 -12.58 O 17.60 -13.52 O 19.68 -7.73 O 16.88 -7.53 O 10.62 -9.78 C:1 13.05 -9.78 C:6 15.37 -12.75 C:20 15.37 -9.61 C:14 18.72 -11.28 C:2 11.81 -10.46 C:3 11.81 -11.89 C:10 14.29 -10.46 C:5 14.29 -11.89 C:13 19.50 -10.13 C:7 16.74 -12.44 C:12 18.90 -8.86 C:11 17.51 -8.76 C:8 17.33 -11.18 C:9 16.74 -9.92 C:15 20.89 -10.24 C:4 13.05 -12.58 1 24 1 2 24 1 25 3 -1 25 4 -2 5 15 2 6 19 2 7 20 2 8 21 2 9 14 1 10 14 2 10 16 1 11 17 2 11 19 1 12 16 2 12 23 1 13 18 2 13 22 1 14 15 1 15 25 1 16 17 1 17 25 1 18 20 1 18 24 1 19 22 1 20 21 1 21 23 1 22 23 2', '25 27 C 21.69 -9.09 C 21.50 -11.49 C 12.02 -13.57 C 14.04 -13.66 O 10.62 -12.58 O 17.60 -13.52 O 19.68 -7.73 O 16.88 -7.53 O 10.62 -9.78 C 13.05 -9.78 C 15.37 -12.75 C 15.37 -9.61 C 18.72 -11.28 C 11.81 -10.46 C 11.81 -11.89 C 14.29 -10.46 C 14.29 -11.89 C 19.50 -10.13 C 16.74 -12.44 C 18.90 -8.86 C 17.51 -8.76 C 17.33 -11.18 C 16.74 -9.92 C 20.89 -10.24 C 13.05 -12.58 1 24 1 2 24 1 25 3 -1 25 4 -2 5 15 2 6 19 2 7 20 2 8 21 2 9 14 1 10 14 2 10 16 1 11 17 2 11 19 1 12 16 2 12 23 1 13 18 2 13 22 1 14 15 1 15 25 1 16 17 1 17 25 1 18 20 1 18 24 1 19 22 1 20 21 1 21 23 1 22 23 2', '25 27 C:21 21.69 -9.09 C:21 21.50 -11.49 C:28 12.02 -13.57 C:28 14.04 -13.66 O 10.62 -12.58 O 17.60 -13.52 O 19.68 -7.73 O 16.88 -7.53 O 10.62 -9.78 C:145 13.05 -9.78 C:142 15.37 -12.75 C:130 15.37 -9.61 C:141 18.72 -11.28 C:154 11.81 -10.46 C:199 11.81 -11.89 C:132 14.29 -10.46 C:154 14.29 -11.89 C:147 19.50 -10.13 C:180 16.74 -12.44 C:199 18.90 -8.86 C:199 17.51 -8.76 C:138 17.33 -11.18 C:129 16.74 -9.92 C:26 20.89 -10.24 C:52 13.05 -12.58 1 24 1 2 24 1 25 3 -1 25 4 -2 5 15 2 6 19 2 7 20 2 8 21 2 9 14 1 10 14 2 10 16 1 11 17 2 11 19 1 12 16 2 12 23 1 13 18 2 13 22 1 14 15 1 15 25 1 16 17 1 17 25 1 18 20 1 18 24 1 19 22 1 20 21 1 21 23 1 22 23 2', 'C20H18O5', 338.211, 'C', 'np05_497_4', 3026, '', '', '1', 1, NULL, NULL),
(11714, '', '3,7-Dioxo-9(10-->20)abeo-12-norabieta-1,5,8,10(20),13-pentaene-11,13-lactone', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:16][CH:15]([CH3:17])[c:13]3[cH:14][c:8]2[c:7](=O)[cH:6][c:5]1[c:10]([CH:1]=[CH:2][C:3](=O)[C@@:4]1([CH3:19])[CH3:18])[cH:20][c:9]2[c:11](=O)o3', 'CC(C)c3cc2c(=O)cc1c(C=CC(=O)[C@@]1(C)C)cc2c(=O)o3', '[CH3:20][CH:33]([CH3:20])[c:172]3[cH:100][c:121]2[c:184](=O)[cH:134][c:155]1[c:148]([CH:146]=[CH:126][C:200](=O)[C@@:51]1([CH3:28])[CH3:27])[cH:135][c:135]2[c:164](=O)o3', '23 25 C:16 21.61 -9.10 C:17 21.44 -11.49 C:19 12.01 -13.55 C:18 14.02 -13.65 O 10.61 -12.58 O 17.57 -13.55 O 16.85 -7.54 C:2 11.81 -10.47 C:1 13.03 -9.74 C:6 15.35 -12.75 C:20 15.35 -9.62 C:14 18.67 -11.29 O 18.85 -8.87 C:3 11.81 -11.89 C:10 14.27 -10.47 C:13 19.44 -10.13 C:5 14.27 -11.89 C:7 16.70 -12.44 C:11 17.47 -8.77 C:8 17.29 -11.19 C:9 16.70 -9.93 C:15 20.83 -10.24 C:4 13.03 -12.58 1 22 1 2 22 1 23 3 -1 23 4 -2 5 14 2 6 18 2 7 19 2 8 9 2 8 14 1 9 15 1 10 17 2 10 18 1 11 15 2 11 21 1 12 16 2 12 20 1 13 16 1 13 19 1 14 23 1 15 17 1 16 22 1 17 23 1 18 20 1 19 21 1 20 21 2', '23 25 C 21.61 -9.10 C 21.44 -11.49 C 12.01 -13.55 C 14.02 -13.65 O 10.61 -12.58 O 17.57 -13.55 O 16.85 -7.54 C 11.81 -10.47 C 13.03 -9.74 C 15.35 -12.75 C 15.35 -9.62 C 18.67 -11.29 O 18.85 -8.87 C 11.81 -11.89 C 14.27 -10.47 C 19.44 -10.13 C 14.27 -11.89 C 16.70 -12.44 C 17.47 -8.77 C 17.29 -11.19 C 16.70 -9.93 C 20.83 -10.24 C 13.03 -12.58 1 22 1 2 22 1 23 3 -1 23 4 -2 5 14 2 6 18 2 7 19 2 8 9 2 8 14 1 9 15 1 10 17 2 10 18 1 11 15 2 11 21 1 12 16 2 12 20 1 13 16 1 13 19 1 14 23 1 15 17 1 16 22 1 17 23 1 18 20 1 19 21 1 20 21 2', '23 25 C:20 21.61 -9.10 C:20 21.44 -11.49 C:28 12.01 -13.55 C:27 14.02 -13.65 O 10.61 -12.58 O 17.57 -13.55 O 16.85 -7.54 C:126 11.81 -10.47 C:146 13.03 -9.74 C:134 15.35 -12.75 C:135 15.35 -9.62 C:100 18.67 -11.29 O 18.85 -8.87 C:200 11.81 -11.89 C:148 14.27 -10.47 C:172 19.44 -10.13 C:155 14.27 -11.89 C:184 16.70 -12.44 C:164 17.47 -8.77 C:121 17.29 -11.19 C:135 16.70 -9.93 C:33 20.83 -10.24 C:51 13.03 -12.58 1 22 1 2 22 1 23 3 -1 23 4 -2 5 14 2 6 18 2 7 19 2 8 9 2 8 14 1 9 15 1 10 17 2 10 18 1 11 15 2 11 21 1 12 16 2 12 20 1 13 16 1 13 19 1 14 23 1 15 17 1 16 22 1 17 23 1 18 20 1 19 21 1 20 21 2', 'C19H18O4', 310.201, 'C', 'np05_497_5', 3026, '', '', '1', 1, NULL, NULL),
(11715, 'Diacetylepimethylrosmanol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:6]14O[C:20](=O)[C@@:10]2([CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]12[H])[c:9]3[c:8]([cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O[C:12001]([CH3:12002])=O)[c:11]3O[C:11001]([CH3:11002])=O)[C@H:7]4O[CH3:7001]', '[H][C@@]14OC(=O)[C@@]2(CCC[C@](C)(C)[C@]12[H])c3c(cc(C(C)C)c(OC(C)=O)c3OC(C)=O)[C@H]4OC', '[H][C@@:74]14O[C:176](=O)[C@@:48]2([CH2:27][CH2:19][CH2:38][C@:32]([CH3:32])([CH3:22])[C@:55]12[H])[c:130]3[c:134]([cH:126][c:143]([CH:28]([CH3:23])[CH3:23])[c:140](O[C:168]([CH3:21])=O)[c:138]3O[C:168]([CH3:20])=O)[C@H:78]4O[CH3:56]', '34 37 H 15.55 -14.99 H 14.36 -14.26 C:7001 17.99 -15.46 C:12002 17.99 -5.68 C:11002 13.13 -6.99 C:16 19.16 -7.79 C:17 20.36 -9.86 C:18 14.10 -15.10 C:19 12.13 -14.99 O 15.55 -5.68 O 15.55 -6.99 O 13.51 -9.43 C:14 17.99 -11.26 C:2 11.94 -11.97 C:3 11.94 -13.36 C:1 13.13 -11.26 O 17.99 -14.05 O 16.76 -7.79 O 14.36 -9.11 O 15.55 -12.70 C:12001 16.76 -6.39 C:11001 14.36 -7.69 C:20 14.36 -10.56 C:13 17.99 -9.86 C:8 16.76 -11.97 C:12 16.76 -9.21 C:11 15.55 -9.86 C:9 15.55 -11.26 C:15 19.16 -9.21 C:7 16.76 -13.36 C:4 13.13 -14.05 C:6 15.55 -14.05 C:5 14.36 -13.36 C:10 14.36 -11.97 32 1 -2 33 2 -2 3 17 1 4 21 1 5 22 1 6 29 1 7 29 1 31 8 -2 31 9 -1 10 21 2 11 22 2 12 23 2 13 24 2 13 25 1 14 15 1 14 16 1 15 31 1 16 34 1 30 17 -1 18 21 1 18 26 1 19 22 1 19 27 1 20 23 1 20 32 1 34 23 -1 24 26 1 24 29 1 25 28 2 25 30 1 26 27 2 27 28 1 28 34 1 30 32 1 31 33 1 32 33 1 33 34 1', '34 37 H 15.55 -14.99 H 14.36 -14.26 C 17.99 -15.46 C 17.99 -5.68 C 13.13 -6.99 C 19.16 -7.79 C 20.36 -9.86 C 14.10 -15.10 C 12.13 -14.99 O 15.55 -5.68 O 15.55 -6.99 O 13.51 -9.43 C 17.99 -11.26 C 11.94 -11.97 C 11.94 -13.36 C 13.13 -11.26 O 17.99 -14.05 O 16.76 -7.79 O 14.36 -9.11 O 15.55 -12.70 C 16.76 -6.39 C 14.36 -7.69 C 14.36 -10.56 C 17.99 -9.86 C 16.76 -11.97 C 16.76 -9.21 C 15.55 -9.86 C 15.55 -11.26 C 19.16 -9.21 C 16.76 -13.36 C 13.13 -14.05 C 15.55 -14.05 C 14.36 -13.36 C 14.36 -11.97 32 1 -2 33 2 -2 3 17 1 4 21 1 5 22 1 6 29 1 7 29 1 31 8 -2 31 9 -1 10 21 2 11 22 2 12 23 2 13 24 2 13 25 1 14 15 1 14 16 1 15 31 1 16 34 1 30 17 -1 18 21 1 18 26 1 19 22 1 19 27 1 20 23 1 20 32 1 34 23 -1 24 26 1 24 29 1 25 28 2 25 30 1 26 27 2 27 28 1 28 34 1 30 32 1 31 33 1 32 33 1 33 34 1', '34 37 H 15.55 -14.99 H 14.36 -14.26 C:56 17.99 -15.46 C:21 17.99 -5.68 C:20 13.13 -6.99 C:23 19.16 -7.79 C:23 20.36 -9.86 C:32 14.10 -15.10 C:22 12.13 -14.99 O 15.55 -5.68 O 15.55 -6.99 O 13.51 -9.43 C:126 17.99 -11.26 C:19 11.94 -11.97 C:38 11.94 -13.36 C:27 13.13 -11.26 O 17.99 -14.05 O 16.76 -7.79 O 14.36 -9.11 O 15.55 -12.70 C:168 16.76 -6.39 C:168 14.36 -7.69 C:176 14.36 -10.56 C:143 17.99 -9.86 C:134 16.76 -11.97 C:140 16.76 -9.21 C:138 15.55 -9.86 C:130 15.55 -11.26 C:28 19.16 -9.21 C:78 16.76 -13.36 C:32 13.13 -14.05 C:74 15.55 -14.05 C:55 14.36 -13.36 C:48 14.36 -11.97 32 1 -2 33 2 -2 3 17 1 4 21 1 5 22 1 6 29 1 7 29 1 31 8 -2 31 9 -1 10 21 2 11 22 2 12 23 2 13 24 2 13 25 1 14 15 1 14 16 1 15 31 1 16 34 1 30 17 -1 18 21 1 18 26 1 19 22 1 19 27 1 20 23 1 20 32 1 34 23 -1 24 26 1 24 29 1 25 28 2 25 30 1 26 27 2 27 28 1 28 34 1 30 32 1 31 33 1 32 33 1 33 34 1', 'C25H32O7', 444.279, 'C', 'ph48_1035_1', 3027, '', '', '1', 1, NULL, NULL),
(11716, 'Diacetylepiethylrosmanol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:6]14O[C:20](=O)[C@@:10]2([CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]12[H])[c:9]3[c:8]([cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O[C:12001]([CH3:12002])=O)[c:11]3O[C:11001]([CH3:11002])=O)[C@H:7]4O[CH2:7001][CH3:7002]', '[H][C@@]14OC(=O)[C@@]2(CCC[C@](C)(C)[C@]12[H])c3c(cc(C(C)C)c(OC(C)=O)c3OC(C)=O)[C@H]4OCC', '[H][C@@:75]14O[C:176](=O)[C@@:48]2([CH2:27][CH2:19][CH2:38][C@:32]([CH3:32])([CH3:22])[C@:55]12[H])[c:130]3[c:134]([cH:125][c:142]([CH:28]([CH3:23])[CH3:23])[c:141](O[C:168]([CH3:21])=O)[c:140]3O[C:168]([CH3:20])=O)[C@H:77]4O[CH2:67][CH3:16]', '35 38 H 15.53 -14.73 H 14.34 -13.90 C:7002 19.18 -15.80 C:12002 17.97 -5.32 C:11002 13.11 -6.63 C:16 19.13 -7.44 C:17 20.32 -9.50 C:18 14.08 -14.73 C:19 12.12 -14.63 O 15.53 -5.32 O 15.53 -6.63 O 13.50 -9.07 C:14 17.97 -10.91 C:7001 17.97 -15.10 C:2 11.93 -11.61 C:3 11.93 -13.00 C:1 13.11 -10.91 O 17.97 -13.69 O 16.74 -7.44 O 14.34 -8.75 O 15.53 -12.34 C:12001 16.74 -6.04 C:11001 14.34 -7.34 C:20 14.34 -10.20 C:13 17.97 -9.50 C:8 16.74 -11.61 C:12 16.74 -8.85 C:11 15.53 -9.50 C:9 15.53 -10.91 C:15 19.13 -8.85 C:7 16.74 -13.00 C:4 13.11 -13.69 C:6 15.53 -13.69 C:5 14.34 -13.00 C:10 14.34 -11.61 33 1 -2 34 2 -2 3 14 1 4 22 1 5 23 1 6 30 1 7 30 1 32 8 -2 32 9 -1 10 22 2 11 23 2 12 24 2 13 25 2 13 26 1 14 18 1 15 16 1 15 17 1 16 32 1 17 35 1 31 18 -1 19 22 1 19 27 1 20 23 1 20 28 1 21 24 1 21 33 1 35 24 -1 25 27 1 25 30 1 26 29 2 26 31 1 27 28 2 28 29 1 29 35 1 31 33 1 32 34 1 33 34 1 34 35 1', '35 38 H 15.53 -14.73 H 14.34 -13.90 C 19.18 -15.80 C 17.97 -5.32 C 13.11 -6.63 C 19.13 -7.44 C 20.32 -9.50 C 14.08 -14.73 C 12.12 -14.63 O 15.53 -5.32 O 15.53 -6.63 O 13.50 -9.07 C 17.97 -10.91 C 17.97 -15.10 C 11.93 -11.61 C 11.93 -13.00 C 13.11 -10.91 O 17.97 -13.69 O 16.74 -7.44 O 14.34 -8.75 O 15.53 -12.34 C 16.74 -6.04 C 14.34 -7.34 C 14.34 -10.20 C 17.97 -9.50 C 16.74 -11.61 C 16.74 -8.85 C 15.53 -9.50 C 15.53 -10.91 C 19.13 -8.85 C 16.74 -13.00 C 13.11 -13.69 C 15.53 -13.69 C 14.34 -13.00 C 14.34 -11.61 33 1 -2 34 2 -2 3 14 1 4 22 1 5 23 1 6 30 1 7 30 1 32 8 -2 32 9 -1 10 22 2 11 23 2 12 24 2 13 25 2 13 26 1 14 18 1 15 16 1 15 17 1 16 32 1 17 35 1 31 18 -1 19 22 1 19 27 1 20 23 1 20 28 1 21 24 1 21 33 1 35 24 -1 25 27 1 25 30 1 26 29 2 26 31 1 27 28 2 28 29 1 29 35 1 31 33 1 32 34 1 33 34 1 34 35 1', '35 38 H 15.53 -14.73 H 14.34 -13.90 C:16 19.18 -15.80 C:21 17.97 -5.32 C:20 13.11 -6.63 C:23 19.13 -7.44 C:23 20.32 -9.50 C:32 14.08 -14.73 C:22 12.12 -14.63 O 15.53 -5.32 O 15.53 -6.63 O 13.50 -9.07 C:125 17.97 -10.91 C:67 17.97 -15.10 C:19 11.93 -11.61 C:38 11.93 -13.00 C:27 13.11 -10.91 O 17.97 -13.69 O 16.74 -7.44 O 14.34 -8.75 O 15.53 -12.34 C:168 16.74 -6.04 C:168 14.34 -7.34 C:176 14.34 -10.20 C:142 17.97 -9.50 C:134 16.74 -11.61 C:141 16.74 -8.85 C:140 15.53 -9.50 C:130 15.53 -10.91 C:28 19.13 -8.85 C:77 16.74 -13.00 C:32 13.11 -13.69 C:75 15.53 -13.69 C:55 14.34 -13.00 C:48 14.34 -11.61 33 1 -2 34 2 -2 3 14 1 4 22 1 5 23 1 6 30 1 7 30 1 32 8 -2 32 9 -1 10 22 2 11 23 2 12 24 2 13 25 2 13 26 1 14 18 1 15 16 1 15 17 1 16 32 1 17 35 1 31 18 -1 19 22 1 19 27 1 20 23 1 20 28 1 21 24 1 21 33 1 35 24 -1 25 27 1 25 30 1 26 29 2 26 31 1 27 28 2 28 29 1 29 35 1 31 33 1 32 34 1 33 34 1 34 35 1', 'C26H34O7', 458.29, 'C', 'ph48_1035_2', 3027, '', '', '1', 1, NULL, NULL),
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(11727, '', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]12[CH2:6][CH2:7][c:8]3[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O[CH3:12001])[c:11]4O[C:20](=O)[C@@:10]1([CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19])[c:9]34', '[H][C@@]12CCc3cc(C(C)C)c(OC)c4OC(=O)[C@@]1(CCC[C@]2(C)C)c34', '[H][C@@:56]12[CH2:24][CH2:33][c:133]3[cH:120][c:140]([CH:27]([CH3:22])[CH3:23])[c:140](O[CH3:61])[c:143]4O[C:178](=O)[C@@:49]1([CH2:42][CH2:18][CH2:39][C@:33]2([CH3:32])[CH3:24])[c:131]34', '25 28 H 13.74 -14.32 C:12001 14.96 -7.09 C:16 18.63 -7.77 C:17 19.85 -9.86 C:18 13.49 -15.16 C:19 11.49 -15.06 O 11.63 -10.58 C:14 17.41 -11.29 C:2 11.31 -12.01 C:7 16.19 -13.41 C:3 11.31 -13.41 C:1 12.52 -11.29 C:6 14.96 -14.11 O 16.19 -7.79 O 13.64 -9.25 C:20 12.93 -10.58 C:8 16.19 -12.01 C:13 17.41 -9.86 C:12 16.19 -9.19 C:11 14.96 -9.86 C:9 14.96 -11.29 C:15 18.63 -9.19 C:4 12.52 -14.11 C:5 13.74 -13.41 C:10 13.74 -12.01 24 1 -2 2 14 1 3 22 1 4 22 1 23 5 -2 23 6 -1 7 16 2 8 17 1 8 18 2 9 11 1 9 12 1 10 13 1 10 17 1 11 23 1 12 25 1 13 24 1 14 19 1 15 16 1 15 20 1 25 16 -1 17 21 2 18 19 1 18 22 1 19 20 2 20 21 1 21 25 1 23 24 1 24 25 1', '25 28 H 13.74 -14.32 C 14.96 -7.09 C 18.63 -7.77 C 19.85 -9.86 C 13.49 -15.16 C 11.49 -15.06 O 11.63 -10.58 C 17.41 -11.29 C 11.31 -12.01 C 16.19 -13.41 C 11.31 -13.41 C 12.52 -11.29 C 14.96 -14.11 O 16.19 -7.79 O 13.64 -9.25 C 12.93 -10.58 C 16.19 -12.01 C 17.41 -9.86 C 16.19 -9.19 C 14.96 -9.86 C 14.96 -11.29 C 18.63 -9.19 C 12.52 -14.11 C 13.74 -13.41 C 13.74 -12.01 24 1 -2 2 14 1 3 22 1 4 22 1 23 5 -2 23 6 -1 7 16 2 8 17 1 8 18 2 9 11 1 9 12 1 10 13 1 10 17 1 11 23 1 12 25 1 13 24 1 14 19 1 15 16 1 15 20 1 25 16 -1 17 21 2 18 19 1 18 22 1 19 20 2 20 21 1 21 25 1 23 24 1 24 25 1', '25 28 H 13.74 -14.32 C:61 14.96 -7.09 C:22 18.63 -7.77 C:23 19.85 -9.86 C:32 13.49 -15.16 C:24 11.49 -15.06 O 11.63 -10.58 C:120 17.41 -11.29 C:18 11.31 -12.01 C:33 16.19 -13.41 C:39 11.31 -13.41 C:42 12.52 -11.29 C:24 14.96 -14.11 O 16.19 -7.79 O 13.64 -9.25 C:178 12.93 -10.58 C:133 16.19 -12.01 C:140 17.41 -9.86 C:140 16.19 -9.19 C:143 14.96 -9.86 C:131 14.96 -11.29 C:27 18.63 -9.19 C:33 12.52 -14.11 C:56 13.74 -13.41 C:49 13.74 -12.01 24 1 -2 2 14 1 3 22 1 4 22 1 23 5 -2 23 6 -1 7 16 2 8 17 1 8 18 2 9 11 1 9 12 1 10 13 1 10 17 1 11 23 1 12 25 1 13 24 1 14 19 1 15 16 1 15 20 1 25 16 -1 17 21 2 18 19 1 18 22 1 19 20 2 20 21 1 21 25 1 23 24 1 24 25 1', 'C21H28O3', 328.231, 'C', 'ph48_1035_15', 3027, '', '', '1', 1, NULL, NULL),
(11728, 'Esquirolin B', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]([CH2:16]O[C:16001]([CH3:16002])=O)O[C:15001]([CH3:15002])=O)[CH2:14][C:8]1=[CH:7][CH2:6][C@@:5]3([H])[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C(COC(C)=O)OC(C)=O)CC1=CC[C@@]3([H])[C@@](C)(C)CCC[C@]23C', '[H][C@:52]12[CH2:24][CH2:33][C@:35]([CH3:18])([CH:79]([CH2:63]O[C:171]([CH3:21])=O)O[C:171]([CH3:21])=O)[CH2:42][C:134]1=[CH:123][CH2:20][C@@:50]3([H])[C@@:33]([CH3:34])([CH3:22])[CH2:43][CH2:19][CH2:40][C@:37]23[CH3:15]', '30 32 H 14.90 -12.80 H 13.64 -14.90 C:16002 21.04 -5.43 C:15002 21.13 -12.41 C:18 13.37 -15.77 C:19 11.35 -15.68 C:17 17.38 -8.97 C:20 13.64 -11.08 O 18.63 -5.43 O 18.71 -12.45 C:7 16.14 -13.97 C:2 11.16 -12.54 C:6 14.90 -14.68 C:16 18.63 -8.21 C:3 11.16 -13.97 C:1 12.39 -11.80 C:12 16.14 -9.67 C:11 14.90 -10.36 C:14 17.38 -11.80 O 19.92 -7.52 O 19.92 -10.36 C:16001 19.92 -6.13 C:15001 19.92 -11.74 C:8 16.14 -12.54 C:15 18.63 -9.67 C:4 12.39 -14.68 C:13 17.38 -10.36 C:9 14.90 -11.80 C:5 13.64 -13.97 C:10 13.64 -12.54 28 1 -2 29 2 -2 3 22 1 4 23 1 26 5 -2 26 6 -1 27 7 -1 30 8 -1 9 22 2 10 23 2 11 13 1 11 24 2 12 15 1 12 16 1 13 29 1 14 20 1 14 25 1 15 26 1 16 30 1 17 18 1 17 27 1 18 28 1 19 24 1 19 27 1 20 22 1 21 23 1 21 25 1 24 28 1 27 25 -2 26 29 1 28 30 1 29 30 1', '30 32 H 14.90 -12.80 H 13.64 -14.90 C 21.04 -5.43 C 21.13 -12.41 C 13.37 -15.77 C 11.35 -15.68 C 17.38 -8.97 C 13.64 -11.08 O 18.63 -5.43 O 18.71 -12.45 C 16.14 -13.97 C 11.16 -12.54 C 14.90 -14.68 C 18.63 -8.21 C 11.16 -13.97 C 12.39 -11.80 C 16.14 -9.67 C 14.90 -10.36 C 17.38 -11.80 O 19.92 -7.52 O 19.92 -10.36 C 19.92 -6.13 C 19.92 -11.74 C 16.14 -12.54 C 18.63 -9.67 C 12.39 -14.68 C 17.38 -10.36 C 14.90 -11.80 C 13.64 -13.97 C 13.64 -12.54 28 1 -2 29 2 -2 3 22 1 4 23 1 26 5 -2 26 6 -1 27 7 -1 30 8 -1 9 22 2 10 23 2 11 13 1 11 24 2 12 15 1 12 16 1 13 29 1 14 20 1 14 25 1 15 26 1 16 30 1 17 18 1 17 27 1 18 28 1 19 24 1 19 27 1 20 22 1 21 23 1 21 25 1 24 28 1 27 25 -2 26 29 1 28 30 1 29 30 1', '30 32 H 14.90 -12.80 H 13.64 -14.90 C:21 21.04 -5.43 C:21 21.13 -12.41 C:34 13.37 -15.77 C:22 11.35 -15.68 C:18 17.38 -8.97 C:15 13.64 -11.08 O 18.63 -5.43 O 18.71 -12.45 C:123 16.14 -13.97 C:19 11.16 -12.54 C:20 14.90 -14.68 C:63 18.63 -8.21 C:43 11.16 -13.97 C:40 12.39 -11.80 C:33 16.14 -9.67 C:24 14.90 -10.36 C:42 17.38 -11.80 O 19.92 -7.52 O 19.92 -10.36 C:171 19.92 -6.13 C:171 19.92 -11.74 C:134 16.14 -12.54 C:79 18.63 -9.67 C:33 12.39 -14.68 C:35 17.38 -10.36 C:52 14.90 -11.80 C:50 13.64 -13.97 C:37 13.64 -12.54 28 1 -2 29 2 -2 3 22 1 4 23 1 26 5 -2 26 6 -1 27 7 -1 30 8 -1 9 22 2 10 23 2 11 13 1 11 24 2 12 15 1 12 16 1 13 29 1 14 20 1 14 25 1 15 26 1 16 30 1 17 18 1 17 27 1 18 28 1 19 24 1 19 27 1 20 22 1 21 23 1 21 25 1 24 28 1 27 25 -2 26 29 1 28 30 1 29 30 1', 'C24H38O4', 390.27, 'C', 'ph48_1035_16', 3027, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(11729, '7βMethoxyabieta-8,13-diene-11,12-dione-(20, 6β)-olide', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:6]14O[C:20](=O)[C@:10]2([CH2:1][CH2:2][CH2:3][C@@:4]([CH3:19])([CH3:18])[C@:5]12[H])[c:9]3[c:8]([cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](=O)[c:11]3=O)[C@H:7]4O[CH3:7001]', '[H][C@@]14OC(=O)[C@]2(CCC[C@@](C)(C)[C@]12[H])c3c(cc(C(C)C)c(=O)c3=O)[C@H]4OC', '[H][C@@:73]14O[C:175](=O)[C@:47]2([CH2:25][CH2:18][CH2:38][C@@:32]([CH3:21])([CH3:32])[C@:55]12[H])[c:138]3[c:147]([cH:133][c:150]([CH:28]([CH3:22])[CH3:22])[c:180](=O)[c:180]3=O)[C@H:78]4O[CH3:57]', '28 31 H 15.54 -14.06 H 14.35 -13.22 C:7001 17.96 -14.42 C:17 20.36 -8.80 C:16 19.15 -6.75 C:19 12.14 -13.96 C:18 14.09 -14.06 O 13.59 -8.34 O 16.76 -6.75 O 14.35 -8.05 C:14 17.96 -10.22 C:2 11.94 -10.94 C:3 11.94 -12.32 C:1 13.14 -10.22 O 17.96 -13.01 O 15.54 -11.67 C:20 14.35 -9.51 C:8 16.76 -10.94 C:13 17.96 -8.80 C:9 15.54 -10.22 C:12 16.76 -8.15 C:11 15.54 -8.80 C:15 19.15 -8.15 C:7 16.76 -12.32 C:4 13.14 -13.01 C:6 15.54 -13.01 C:5 14.35 -12.32 C:10 14.35 -10.94 26 1 -2 27 2 -2 3 15 1 4 23 1 5 23 1 25 6 -1 25 7 -2 8 17 2 9 21 2 10 22 2 11 18 1 11 19 2 12 13 1 12 14 1 13 25 1 14 28 1 24 15 -1 16 17 1 16 26 1 28 17 -2 18 20 2 18 24 1 19 21 1 19 23 1 20 22 1 20 28 1 21 22 1 24 26 1 25 27 1 26 27 1 27 28 1', '28 31 H 15.54 -14.06 H 14.35 -13.22 C 17.96 -14.42 C 20.36 -8.80 C 19.15 -6.75 C 12.14 -13.96 C 14.09 -14.06 O 13.59 -8.34 O 16.76 -6.75 O 14.35 -8.05 C 17.96 -10.22 C 11.94 -10.94 C 11.94 -12.32 C 13.14 -10.22 O 17.96 -13.01 O 15.54 -11.67 C 14.35 -9.51 C 16.76 -10.94 C 17.96 -8.80 C 15.54 -10.22 C 16.76 -8.15 C 15.54 -8.80 C 19.15 -8.15 C 16.76 -12.32 C 13.14 -13.01 C 15.54 -13.01 C 14.35 -12.32 C 14.35 -10.94 26 1 -2 27 2 -2 3 15 1 4 23 1 5 23 1 25 6 -1 25 7 -2 8 17 2 9 21 2 10 22 2 11 18 1 11 19 2 12 13 1 12 14 1 13 25 1 14 28 1 24 15 -1 16 17 1 16 26 1 28 17 -2 18 20 2 18 24 1 19 21 1 19 23 1 20 22 1 20 28 1 21 22 1 24 26 1 25 27 1 26 27 1 27 28 1', '28 31 H 15.54 -14.06 H 14.35 -13.22 C:57 17.96 -14.42 C:22 20.36 -8.80 C:22 19.15 -6.75 C:21 12.14 -13.96 C:32 14.09 -14.06 O 13.59 -8.34 O 16.76 -6.75 O 14.35 -8.05 C:133 17.96 -10.22 C:18 11.94 -10.94 C:38 11.94 -12.32 C:25 13.14 -10.22 O 17.96 -13.01 O 15.54 -11.67 C:175 14.35 -9.51 C:147 16.76 -10.94 C:150 17.96 -8.80 C:138 15.54 -10.22 C:180 16.76 -8.15 C:180 15.54 -8.80 C:28 19.15 -8.15 C:78 16.76 -12.32 C:32 13.14 -13.01 C:73 15.54 -13.01 C:55 14.35 -12.32 C:47 14.35 -10.94 26 1 -2 27 2 -2 3 15 1 4 23 1 5 23 1 25 6 -1 25 7 -2 8 17 2 9 21 2 10 22 2 11 18 1 11 19 2 12 13 1 12 14 1 13 25 1 14 28 1 24 15 -1 16 17 1 16 26 1 28 17 -2 18 20 2 18 24 1 19 21 1 19 23 1 20 22 1 20 28 1 21 22 1 24 26 1 25 27 1 26 27 1 27 28 1', 'C21H26O5', 358.238, 'C', 'ph66_1685_1', 3028, '', '', '1', 1, NULL, NULL),
(11730, '7α-Methoxyabieta-8,13-diene-11,12-dione-(20,6β)-olide', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:6]14O[C:20](=O)[C@:10]2([CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]12[H])[c:9]3[c:8]([cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](=O)[c:11]3=O)[C@@H:7]4O[CH3:7001]', '[H][C@@]14OC(=O)[C@]2(CCC[C@](C)(C)[C@]12[H])c3c(cc(C(C)C)c(=O)c3=O)[C@@H]4OC', '[H][C@@:72]14O[C:176](=O)[C@:46]2([CH2:25][CH2:18][CH2:38][C@:31]([CH3:31])([CH3:22])[C@:50]12[H])[c:138]3[c:146]([cH:134][c:150]([CH:28]([CH3:21])[CH3:21])[c:180](=O)[c:180]3=O)[C@@H:78]4O[CH3:60]', '28 31 H 15.54 -14.06 H 14.35 -13.22 C:7001 17.96 -14.42 C:16 19.15 -6.75 C:17 20.36 -8.80 C:18 14.09 -14.06 C:19 12.14 -13.96 O 13.59 -8.34 O 16.76 -6.75 O 14.35 -8.05 C:14 17.96 -10.22 C:2 11.94 -10.94 C:3 11.94 -12.32 C:1 13.14 -10.22 O 17.96 -13.01 O 15.54 -11.67 C:20 14.35 -9.51 C:8 16.76 -10.94 C:13 17.96 -8.80 C:9 15.54 -10.22 C:12 16.76 -8.15 C:11 15.54 -8.80 C:15 19.15 -8.15 C:7 16.76 -12.32 C:4 13.14 -13.01 C:6 15.54 -13.01 C:5 14.35 -12.32 C:10 14.35 -10.94 26 1 -2 27 2 -2 3 15 1 4 23 1 5 23 1 25 6 -2 25 7 -1 8 17 2 9 21 2 10 22 2 11 18 1 11 19 2 12 13 1 12 14 1 13 25 1 14 28 1 24 15 -2 16 17 1 16 26 1 28 17 -2 18 20 2 18 24 1 19 21 1 19 23 1 20 22 1 20 28 1 21 22 1 24 26 1 25 27 1 26 27 1 27 28 1', '28 31 H 15.54 -14.06 H 14.35 -13.22 C 17.96 -14.42 C 19.15 -6.75 C 20.36 -8.80 C 14.09 -14.06 C 12.14 -13.96 O 13.59 -8.34 O 16.76 -6.75 O 14.35 -8.05 C 17.96 -10.22 C 11.94 -10.94 C 11.94 -12.32 C 13.14 -10.22 O 17.96 -13.01 O 15.54 -11.67 C 14.35 -9.51 C 16.76 -10.94 C 17.96 -8.80 C 15.54 -10.22 C 16.76 -8.15 C 15.54 -8.80 C 19.15 -8.15 C 16.76 -12.32 C 13.14 -13.01 C 15.54 -13.01 C 14.35 -12.32 C 14.35 -10.94 26 1 -2 27 2 -2 3 15 1 4 23 1 5 23 1 25 6 -2 25 7 -1 8 17 2 9 21 2 10 22 2 11 18 1 11 19 2 12 13 1 12 14 1 13 25 1 14 28 1 24 15 -2 16 17 1 16 26 1 28 17 -2 18 20 2 18 24 1 19 21 1 19 23 1 20 22 1 20 28 1 21 22 1 24 26 1 25 27 1 26 27 1 27 28 1', '28 31 H 15.54 -14.06 H 14.35 -13.22 C:60 17.96 -14.42 C:21 19.15 -6.75 C:21 20.36 -8.80 C:31 14.09 -14.06 C:22 12.14 -13.96 O 13.59 -8.34 O 16.76 -6.75 O 14.35 -8.05 C:134 17.96 -10.22 C:18 11.94 -10.94 C:38 11.94 -12.32 C:25 13.14 -10.22 O 17.96 -13.01 O 15.54 -11.67 C:176 14.35 -9.51 C:146 16.76 -10.94 C:150 17.96 -8.80 C:138 15.54 -10.22 C:180 16.76 -8.15 C:180 15.54 -8.80 C:28 19.15 -8.15 C:78 16.76 -12.32 C:31 13.14 -13.01 C:72 15.54 -13.01 C:50 14.35 -12.32 C:46 14.35 -10.94 26 1 -2 27 2 -2 3 15 1 4 23 1 5 23 1 25 6 -2 25 7 -1 8 17 2 9 21 2 10 22 2 11 18 1 11 19 2 12 13 1 12 14 1 13 25 1 14 28 1 24 15 -2 16 17 1 16 26 1 28 17 -2 18 20 2 18 24 1 19 21 1 19 23 1 20 22 1 20 28 1 21 22 1 24 26 1 25 27 1 26 27 1 27 28 1', 'C21H26O5', 358.238, 'C', 'ph66_1685_2', 3028, '', '', '1', 1, NULL, NULL),
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(11743, 'Caseamembrin K', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][C@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[C:4]([CH:18]=O)[C@@:5]1([CH:19]=O)[C@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@]12C[C@H](OC(C)=O)C=C(C=O)[C@@]1(C=O)[C@H](O)[C@H](OC(C)=O)[C@H](C)[C@]2(C)CCC(=C)C=C', '[H][C@:40]12[CH2:26][C@H:65](O[C:172]([CH3:21])=O)[CH:148]=[C:149]([CH:199]=O)[C@@:54]1([CH:193]=O)[C@H:72](O)[C@H:77](O[C:172]([CH3:22])=O)[C@H:34]([CH3:15])[C@:39]2([CH3:26])[CH2:30][CH2:23][C:146](=[CH2:116])[CH:139]=[CH2:113]', '32 33 H 16.06 -10.60 C:15 17.24 -5.28 C:16 14.82 -6.72 C:2002 11.20 -8.83 C:7002 21.01 -15.78 C:17 19.78 -10.91 C:20 18.34 -9.97 O 13.60 -15.86 O 16.06 -15.86 O 13.60 -8.83 O 18.58 -15.82 O 17.24 -15.15 C:14 17.24 -6.72 C:18 14.82 -15.16 C:19 16.06 -14.46 C:3 13.60 -13.03 C:12 16.06 -8.79 C:11 17.27 -9.48 C:1 14.82 -10.91 O 12.40 -10.93 O 19.78 -13.70 C:13 16.06 -7.41 C:2001 12.40 -9.53 C:7001 19.78 -15.10 C:4 14.82 -13.74 C:2 13.60 -11.63 C:8 18.52 -11.63 C:6 17.24 -13.74 C:7 18.52 -13.03 C:10 16.06 -11.63 C:9 17.24 -10.91 C:5 16.06 -13.03 30 1 -1 2 13 2 3 22 2 4 23 1 5 24 1 27 6 -1 31 7 -2 8 14 2 9 15 2 10 23 2 11 24 2 28 12 -1 13 22 1 14 25 1 32 15 -1 16 25 2 16 26 1 17 18 1 17 22 1 31 18 -1 19 26 1 19 30 1 20 23 1 26 20 -1 21 24 1 29 21 -1 25 32 1 27 29 1 27 31 1 28 29 1 28 32 1 30 31 1 30 32 1', '32 33 H 16.06 -10.60 C 17.24 -5.28 C 14.82 -6.72 C 11.20 -8.83 C 21.01 -15.78 C 19.78 -10.91 C 18.34 -9.97 O 13.60 -15.86 O 16.06 -15.86 O 13.60 -8.83 O 18.58 -15.82 O 17.24 -15.15 C 17.24 -6.72 C 14.82 -15.16 C 16.06 -14.46 C 13.60 -13.03 C 16.06 -8.79 C 17.27 -9.48 C 14.82 -10.91 O 12.40 -10.93 O 19.78 -13.70 C 16.06 -7.41 C 12.40 -9.53 C 19.78 -15.10 C 14.82 -13.74 C 13.60 -11.63 C 18.52 -11.63 C 17.24 -13.74 C 18.52 -13.03 C 16.06 -11.63 C 17.24 -10.91 C 16.06 -13.03 30 1 -1 2 13 2 3 22 2 4 23 1 5 24 1 27 6 -1 31 7 -2 8 14 2 9 15 2 10 23 2 11 24 2 28 12 -1 13 22 1 14 25 1 32 15 -1 16 25 2 16 26 1 17 18 1 17 22 1 31 18 -1 19 26 1 19 30 1 20 23 1 26 20 -1 21 24 1 29 21 -1 25 32 1 27 29 1 27 31 1 28 29 1 28 32 1 30 31 1 30 32 1', '32 33 H 16.06 -10.60 C:113 17.24 -5.28 C:116 14.82 -6.72 C:21 11.20 -8.83 C:22 21.01 -15.78 C:15 19.78 -10.91 C:26 18.34 -9.97 O 13.60 -15.86 O 16.06 -15.86 O 13.60 -8.83 O 18.58 -15.82 O 17.24 -15.15 C:139 17.24 -6.72 C:199 14.82 -15.16 C:193 16.06 -14.46 C:148 13.60 -13.03 C:23 16.06 -8.79 C:30 17.27 -9.48 C:26 14.82 -10.91 O 12.40 -10.93 O 19.78 -13.70 C:146 16.06 -7.41 C:172 12.40 -9.53 C:172 19.78 -15.10 C:149 14.82 -13.74 C:65 13.60 -11.63 C:34 18.52 -11.63 C:72 17.24 -13.74 C:77 18.52 -13.03 C:40 16.06 -11.63 C:39 17.24 -10.91 C:54 16.06 -13.03 30 1 -1 2 13 2 3 22 2 4 23 1 5 24 1 27 6 -1 31 7 -2 8 14 2 9 15 2 10 23 2 11 24 2 28 12 -1 13 22 1 14 25 1 32 15 -1 16 25 2 16 26 1 17 18 1 17 22 1 31 18 -1 19 26 1 19 30 1 20 23 1 26 20 -1 21 24 1 29 21 -1 25 32 1 27 29 1 27 31 1 28 29 1 28 32 1 30 31 1 30 32 1', 'C24H32O7', 432.261, 'C', 'hca05_68_5', 3031, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(11744, 'Caseamembrin L', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][C@H:2](O[C:2001](=O)[CH:2002]([CH3:2201])[CH2:2003][CH3:2004])[CH:3]=[C:4]1[C@H:18](O[C:18001](=O)[CH2:18002][CH2:18003][CH3:18004])O[C@H:19](O[C:19001]([CH3:19002])=O)[C@@:5]12[C@H:6](O)[C@H:7](O)[C@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13](=[CH2:16])[CH:14]=[CH2:15]', '[H][C@]23C[C@H](OC(=O)C(C)CC)C=C1[C@H](OC(=O)CCC)O[C@H](OC(C)=O)[C@@]12[C@H](O)[C@H](O)[C@H](C)[C@]3(C)CCC(=C)C=C', '[H][C@:36]23[CH2:27][C@H:66](O[C:176](=O)[CH:41]([CH3:17])[CH2:27][CH3:12])[CH:122]=[C:145]1[C@H:98](O[C:173](=O)[CH2:36][CH2:18][CH3:14])O[C@H:96](O[C:169]([CH3:21])=O)[C@@:53]12[C@H:77](O)[C@H:73](O)[C@H:43]([CH3:12])[C@:39]3([CH3:26])[CH2:29][CH2:24][C:145](=[CH2:116])[CH:141]=[CH2:112]', '41 43 H 17.91 -9.86 C:15 19.11 -4.47 C:16 16.68 -5.94 C:18004 10.61 -15.18 C:2004 11.81 -6.03 C:19002 20.96 -16.66 C:2201 11.81 -8.80 C:17 21.60 -10.16 C:20 20.22 -9.23 O 18.54 -16.66 O 14.21 -13.06 O 15.42 -8.11 O 21.60 -13.06 O 20.49 -13.59 C:14 19.11 -5.86 C:3 15.42 -12.35 C:18003 11.81 -14.47 C:2003 13.01 -6.72 C:18002 13.01 -15.18 C:12 17.98 -7.99 C:11 19.11 -8.72 C:1 16.68 -10.16 O 15.42 -15.18 O 14.21 -10.20 O 19.74 -14.59 O 18.05 -14.59 C:13 17.98 -6.58 C:19001 19.74 -15.96 C:18001 14.21 -14.47 C:2001 14.21 -8.80 C:4 16.68 -13.06 C:2002 13.01 -8.11 C:2 15.42 -10.89 C:8 20.42 -10.89 C:18 16.68 -14.47 C:7 20.42 -12.35 C:6 19.17 -13.06 C:19 18.75 -13.59 C:10 17.91 -10.89 C:9 19.11 -10.16 C:5 17.91 -12.35 39 1 -1 2 15 2 3 27 2 4 17 1 5 18 1 6 28 1 7 32 1 34 8 -1 40 9 -2 10 28 2 11 29 2 12 30 2 36 13 -1 37 14 -1 15 27 1 16 31 2 16 33 1 17 19 1 18 32 1 19 29 1 20 21 1 20 27 1 40 21 -1 22 33 1 22 39 1 23 29 1 35 23 -1 24 30 1 33 24 -1 25 28 1 38 25 -1 26 35 1 26 38 1 30 32 1 31 35 1 31 41 1 34 36 1 34 40 1 36 37 1 37 41 1 41 38 -1 39 40 1 39 41 1', '41 43 H 17.91 -9.86 C 19.11 -4.47 C 16.68 -5.94 C 10.61 -15.18 C 11.81 -6.03 C 20.96 -16.66 C 11.81 -8.80 C 21.60 -10.16 C 20.22 -9.23 O 18.54 -16.66 O 14.21 -13.06 O 15.42 -8.11 O 21.60 -13.06 O 20.49 -13.59 C 19.11 -5.86 C 15.42 -12.35 C 11.81 -14.47 C 13.01 -6.72 C 13.01 -15.18 C 17.98 -7.99 C 19.11 -8.72 C 16.68 -10.16 O 15.42 -15.18 O 14.21 -10.20 O 19.74 -14.59 O 18.05 -14.59 C 17.98 -6.58 C 19.74 -15.96 C 14.21 -14.47 C 14.21 -8.80 C 16.68 -13.06 C 13.01 -8.11 C 15.42 -10.89 C 20.42 -10.89 C 16.68 -14.47 C 20.42 -12.35 C 19.17 -13.06 C 18.75 -13.59 C 17.91 -10.89 C 19.11 -10.16 C 17.91 -12.35 39 1 -1 2 15 2 3 27 2 4 17 1 5 18 1 6 28 1 7 32 1 34 8 -1 40 9 -2 10 28 2 11 29 2 12 30 2 36 13 -1 37 14 -1 15 27 1 16 31 2 16 33 1 17 19 1 18 32 1 19 29 1 20 21 1 20 27 1 40 21 -1 22 33 1 22 39 1 23 29 1 35 23 -1 24 30 1 33 24 -1 25 28 1 38 25 -1 26 35 1 26 38 1 30 32 1 31 35 1 31 41 1 34 36 1 34 40 1 36 37 1 37 41 1 41 38 -1 39 40 1 39 41 1', '41 43 H 17.91 -9.86 C:112 19.11 -4.47 C:116 16.68 -5.94 C:14 10.61 -15.18 C:12 11.81 -6.03 C:21 20.96 -16.66 C:17 11.81 -8.80 C:12 21.60 -10.16 C:26 20.22 -9.23 O 18.54 -16.66 O 14.21 -13.06 O 15.42 -8.11 O 21.60 -13.06 O 20.49 -13.59 C:141 19.11 -5.86 C:122 15.42 -12.35 C:18 11.81 -14.47 C:27 13.01 -6.72 C:36 13.01 -15.18 C:24 17.98 -7.99 C:29 19.11 -8.72 C:27 16.68 -10.16 O 15.42 -15.18 O 14.21 -10.20 O 19.74 -14.59 O 18.05 -14.59 C:145 17.98 -6.58 C:169 19.74 -15.96 C:173 14.21 -14.47 C:176 14.21 -8.80 C:145 16.68 -13.06 C:41 13.01 -8.11 C:66 15.42 -10.89 C:43 20.42 -10.89 C:98 16.68 -14.47 C:73 20.42 -12.35 C:77 19.17 -13.06 C:96 18.75 -13.59 C:36 17.91 -10.89 C:39 19.11 -10.16 C:53 17.91 -12.35 39 1 -1 2 15 2 3 27 2 4 17 1 5 18 1 6 28 1 7 32 1 34 8 -1 40 9 -2 10 28 2 11 29 2 12 30 2 36 13 -1 37 14 -1 15 27 1 16 31 2 16 33 1 17 19 1 18 32 1 19 29 1 20 21 1 20 27 1 40 21 -1 22 33 1 22 39 1 23 29 1 35 23 -1 24 30 1 33 24 -1 25 28 1 38 25 -1 26 35 1 26 38 1 30 32 1 31 35 1 31 41 1 34 36 1 34 40 1 36 37 1 37 41 1 41 38 -1 39 40 1 39 41 1', 'C31H46O9', 562.334, 'C', 'hca05_68_6', 3031, '', '', '1', 1, NULL, NULL),
(11745, 'Furocrotinsulolide A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@@:4]([CH3:18])(O)[C@H:3](O)[CH2:2][CH2:1][C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@@](C)(O)[C@H](O)CC[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:52]24[CH2:19][CH2:33][C@@:42]1([CH3:18])[C@@:78]([CH3:22])(O)[C@H:77](O)[CH2:32][CH2:18][C@:49]1([H])[C@@:38]2([CH3:15])[CH2:46][C@@H:74]([c:128]3[cH:110][cH:146]o[cH:142]3)O[C:176]4=O', '27 30 H 18.03 -11.24 H 15.54 -11.12 C:18 15.01 -15.50 C:20 16.77 -12.85 C:19 15.57 -15.01 O 20.49 -12.17 O 11.81 -14.27 O 13.61 -15.52 C:15 18.79 -5.66 C:14 19.26 -7.02 C:16 16.91 -6.99 C:2 13.04 -12.15 C:1 14.30 -11.43 C:7 18.03 -13.59 C:6 16.77 -14.30 C:11 16.77 -9.98 O 19.26 -10.04 O 17.37 -5.64 C:17 19.26 -11.46 C:13 18.03 -7.83 C:3 13.04 -13.59 C:12 18.03 -9.25 C:8 18.03 -12.15 C:4 14.30 -14.30 C:10 15.54 -12.15 C:9 16.77 -11.43 C:5 15.54 -13.59 23 1 -1 25 2 -1 24 3 -2 26 4 -2 27 5 -2 6 19 2 21 7 -2 24 8 -1 9 10 2 9 18 1 10 20 1 11 18 1 11 20 2 12 13 1 12 21 1 13 25 1 14 15 1 14 23 1 15 27 1 16 22 1 16 26 1 17 19 1 17 22 1 19 23 1 22 20 -1 21 24 1 23 26 1 24 27 1 25 26 1 25 27 1', '27 30 H 18.03 -11.24 H 15.54 -11.12 C 15.01 -15.50 C 16.77 -12.85 C 15.57 -15.01 O 20.49 -12.17 O 11.81 -14.27 O 13.61 -15.52 C 18.79 -5.66 C 19.26 -7.02 C 16.91 -6.99 C 13.04 -12.15 C 14.30 -11.43 C 18.03 -13.59 C 16.77 -14.30 C 16.77 -9.98 O 19.26 -10.04 O 17.37 -5.64 C 19.26 -11.46 C 18.03 -7.83 C 13.04 -13.59 C 18.03 -9.25 C 18.03 -12.15 C 14.30 -14.30 C 15.54 -12.15 C 16.77 -11.43 C 15.54 -13.59 23 1 -1 25 2 -1 24 3 -2 26 4 -2 27 5 -2 6 19 2 21 7 -2 24 8 -1 9 10 2 9 18 1 10 20 1 11 18 1 11 20 2 12 13 1 12 21 1 13 25 1 14 15 1 14 23 1 15 27 1 16 22 1 16 26 1 17 19 1 17 22 1 19 23 1 22 20 -1 21 24 1 23 26 1 24 27 1 25 26 1 25 27 1', '27 30 H 18.03 -11.24 H 15.54 -11.12 C:22 15.01 -15.50 C:15 16.77 -12.85 C:18 15.57 -15.01 O 20.49 -12.17 O 11.81 -14.27 O 13.61 -15.52 C:146 18.79 -5.66 C:110 19.26 -7.02 C:142 16.91 -6.99 C:32 13.04 -12.15 C:18 14.30 -11.43 C:19 18.03 -13.59 C:33 16.77 -14.30 C:46 16.77 -9.98 O 19.26 -10.04 O 17.37 -5.64 C:176 19.26 -11.46 C:128 18.03 -7.83 C:77 13.04 -13.59 C:74 18.03 -9.25 C:52 18.03 -12.15 C:78 14.30 -14.30 C:49 15.54 -12.15 C:38 16.77 -11.43 C:42 15.54 -13.59 23 1 -1 25 2 -1 24 3 -2 26 4 -2 27 5 -2 6 19 2 21 7 -2 24 8 -1 9 10 2 9 18 1 10 20 1 11 18 1 11 20 2 12 13 1 12 21 1 13 25 1 14 15 1 14 23 1 15 27 1 16 22 1 16 26 1 17 19 1 17 22 1 19 23 1 22 20 -1 21 24 1 23 26 1 24 27 1 25 26 1 25 27 1', 'C20H28O5', 348.227, 'M', 'hca05_2654_1', 3032, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(11762, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH2:3][C:4]([CH:18]=O)=[C:5]1[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]24[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:20]4=O', '[H][C@]12CCCC(C=O)=C1CC[C@@H](C)[C@]24C[C@@H](c3ccoc3)OC4=O', '[H][C@:48]12[CH2:26][CH2:21][CH2:22][C:135]([CH:190]=O)=[C:156]1[CH2:28][CH2:30][C@@H:39]([CH3:17])[C@:55]24[CH2:41][C@@H:72]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:177]4=O', '24 27 H 15.49 -10.52 C:17 19.22 -10.83 O 13.02 -15.86 O 18.91 -10.26 C:18 14.25 -15.14 C:15 14.35 -5.34 C:14 15.49 -6.20 C:16 13.67 -7.52 C:2 13.02 -11.56 C:3 13.02 -13.01 C:6 16.72 -13.73 C:7 17.98 -13.01 C:1 14.25 -10.83 C:11 15.55 -9.92 O 17.36 -8.63 O 13.21 -6.20 C:4 14.25 -13.73 C:20 17.83 -9.92 C:5 15.49 -13.01 C:13 15.08 -7.52 C:8 17.98 -11.56 C:12 15.94 -8.63 C:10 15.49 -11.56 C:9 16.72 -10.83 23 1 -1 21 2 -2 3 5 2 4 18 2 5 17 1 6 7 2 6 16 1 7 20 1 8 16 1 8 20 2 9 10 1 9 13 1 10 17 1 11 12 1 11 19 1 12 21 1 13 23 1 14 22 1 24 14 -1 15 18 1 15 22 1 17 19 2 24 18 -2 19 23 1 22 20 -1 21 24 1 23 24 1', '24 27 H 15.49 -10.52 C 19.22 -10.83 O 13.02 -15.86 O 18.91 -10.26 C 14.25 -15.14 C 14.35 -5.34 C 15.49 -6.20 C 13.67 -7.52 C 13.02 -11.56 C 13.02 -13.01 C 16.72 -13.73 C 17.98 -13.01 C 14.25 -10.83 C 15.55 -9.92 O 17.36 -8.63 O 13.21 -6.20 C 14.25 -13.73 C 17.83 -9.92 C 15.49 -13.01 C 15.08 -7.52 C 17.98 -11.56 C 15.94 -8.63 C 15.49 -11.56 C 16.72 -10.83 23 1 -1 21 2 -2 3 5 2 4 18 2 5 17 1 6 7 2 6 16 1 7 20 1 8 16 1 8 20 2 9 10 1 9 13 1 10 17 1 11 12 1 11 19 1 12 21 1 13 23 1 14 22 1 24 14 -1 15 18 1 15 22 1 17 19 2 24 18 -2 19 23 1 22 20 -1 21 24 1 23 24 1', '24 27 H 15.49 -10.52 C:17 19.22 -10.83 O 13.02 -15.86 O 18.91 -10.26 C:190 14.25 -15.14 C:144 14.35 -5.34 C:108 15.49 -6.20 C:139 13.67 -7.52 C:21 13.02 -11.56 C:22 13.02 -13.01 C:28 16.72 -13.73 C:30 17.98 -13.01 C:26 14.25 -10.83 C:41 15.55 -9.92 O 17.36 -8.63 O 13.21 -6.20 C:135 14.25 -13.73 C:177 17.83 -9.92 C:156 15.49 -13.01 C:125 15.08 -7.52 C:39 17.98 -11.56 C:72 15.94 -8.63 C:48 15.49 -11.56 C:55 16.72 -10.83 23 1 -1 21 2 -2 3 5 2 4 18 2 5 17 1 6 7 2 6 16 1 7 20 1 8 16 1 8 20 2 9 10 1 9 13 1 10 17 1 11 12 1 11 19 1 12 21 1 13 23 1 14 22 1 24 14 -1 15 18 1 15 22 1 17 19 2 24 18 -2 19 23 1 22 20 -1 21 24 1 23 24 1', 'C19H22O4', 314.209, 'C', 'mrc04_605_13', 3033, '', '', '1', 1, NULL, NULL),
(11763, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH2:3][C@@H:4](O[C:18001]([CH3:18002])=O)[C@:5]1([H])[C:6](=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]24[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:20]4=O', '[H][C@]12CCC[C@@H](OC(C)=O)[C@]1([H])C(=O)C[C@@H](C)[C@]24C[C@@H](c3ccoc3)OC4=O', '[H][C@:50]12[CH2:28][CH2:25][CH2:29][C@@H:43](O[C:177]([CH3:52])=O)[C@:50]1([H])[C:210](=O)[CH2:45][C@@H:40]([CH3:18])[C@:51]24[CH2:40][C@@H:72]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:175]4=O', '28 31 H 16.07 -9.82 H 16.07 -13.34 C:18002 13.61 -16.59 C:17 19.85 -10.13 O 12.41 -14.49 O 17.34 -14.49 O 19.54 -9.55 C:15 14.92 -4.56 C:14 16.07 -5.44 C:16 14.23 -6.78 C:2 13.61 -10.87 C:3 13.61 -12.33 C:1 14.82 -10.13 C:7 18.60 -12.33 C:11 16.13 -9.21 O 14.82 -14.49 O 17.97 -7.90 O 13.77 -5.44 C:18001 13.61 -15.19 C:6 17.34 -13.07 C:20 18.45 -9.21 C:13 15.66 -6.78 C:8 18.60 -10.87 C:12 16.53 -7.90 C:4 14.82 -13.07 C:10 16.07 -10.87 C:5 16.07 -12.33 C:9 17.34 -10.13 26 1 -1 27 2 -2 3 19 1 23 4 -2 5 19 2 6 20 2 7 21 2 8 9 2 8 18 1 9 22 1 10 18 1 10 22 2 11 12 1 11 13 1 12 25 1 13 26 1 14 20 1 14 23 1 15 24 1 28 15 -1 16 19 1 25 16 -2 17 21 1 17 24 1 20 27 1 28 21 -2 24 22 -1 23 28 1 25 27 1 26 27 1 26 28 1', '28 31 H 16.07 -9.82 H 16.07 -13.34 C 13.61 -16.59 C 19.85 -10.13 O 12.41 -14.49 O 17.34 -14.49 O 19.54 -9.55 C 14.92 -4.56 C 16.07 -5.44 C 14.23 -6.78 C 13.61 -10.87 C 13.61 -12.33 C 14.82 -10.13 C 18.60 -12.33 C 16.13 -9.21 O 14.82 -14.49 O 17.97 -7.90 O 13.77 -5.44 C 13.61 -15.19 C 17.34 -13.07 C 18.45 -9.21 C 15.66 -6.78 C 18.60 -10.87 C 16.53 -7.90 C 14.82 -13.07 C 16.07 -10.87 C 16.07 -12.33 C 17.34 -10.13 26 1 -1 27 2 -2 3 19 1 23 4 -2 5 19 2 6 20 2 7 21 2 8 9 2 8 18 1 9 22 1 10 18 1 10 22 2 11 12 1 11 13 1 12 25 1 13 26 1 14 20 1 14 23 1 15 24 1 28 15 -1 16 19 1 25 16 -2 17 21 1 17 24 1 20 27 1 28 21 -2 24 22 -1 23 28 1 25 27 1 26 27 1 26 28 1', '28 31 H 16.07 -9.82 H 16.07 -13.34 C:52 13.61 -16.59 C:18 19.85 -10.13 O 12.41 -14.49 O 17.34 -14.49 O 19.54 -9.55 C:144 14.92 -4.56 C:108 16.07 -5.44 C:139 14.23 -6.78 C:25 13.61 -10.87 C:29 13.61 -12.33 C:28 14.82 -10.13 C:45 18.60 -12.33 C:40 16.13 -9.21 O 14.82 -14.49 O 17.97 -7.90 O 13.77 -5.44 C:177 13.61 -15.19 C:210 17.34 -13.07 C:175 18.45 -9.21 C:125 15.66 -6.78 C:40 18.60 -10.87 C:72 16.53 -7.90 C:43 14.82 -13.07 C:50 16.07 -10.87 C:50 16.07 -12.33 C:51 17.34 -10.13 26 1 -1 27 2 -2 3 19 1 23 4 -2 5 19 2 6 20 2 7 21 2 8 9 2 8 18 1 9 22 1 10 18 1 10 22 2 11 12 1 11 13 1 12 25 1 13 26 1 14 20 1 14 23 1 15 24 1 28 15 -1 16 19 1 25 16 -2 17 21 1 17 24 1 20 27 1 28 21 -2 24 22 -1 23 28 1 25 27 1 26 27 1 26 28 1', 'C20H24O6', 360.226, 'C', 'mrc04_605_14', 3033, '', '', '1', 1, NULL, NULL),
(11764, 'Nasimalun A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH:3]=[C:4]1[C:18](=O)O[CH2:19][C@:5]12[CH2:6][CH2:7][C@@H:8]([C:17](=O)O[CH3:17001])[C@:9]3([CH3:20])[CH2:11][C:12](=O)[c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]23CCC=C1C(=O)OC[C@]12CC[C@@H](C(=O)OC)[C@]3(C)CC(=O)c4ccoc4', '[H][C@:47]23[CH2:20][CH2:27][CH:136]=[C:138]1[C:169](=O)O[CH2:71][C@:45]12[CH2:33][CH2:22][C@@H:49]([C:174](=O)O[CH3:51])[C@:40]3([CH3:19])[CH2:47][C:194](=O)[c:129]4[cH:109][cH:144]o[cH:147]4', '28 31 H 19.87 -16.24 C:17001 26.06 -16.54 C:20 22.21 -15.60 O 18.67 -15.04 O 17.45 -21.53 O 23.60 -15.10 C:3 17.45 -18.71 C:15 20.62 -10.81 C:14 21.01 -12.14 C:16 18.75 -12.14 C:2 17.45 -17.25 C:7 22.42 -18.71 C:1 18.67 -16.54 C:6 21.16 -19.42 C:19 20.62 -19.97 C:11 21.10 -15.10 O 24.84 -17.25 O 20.01 -20.96 O 19.17 -10.81 C:12 19.87 -14.37 C:18 18.67 -20.77 C:17 23.60 -16.54 C:4 18.67 -19.42 C:13 19.87 -12.97 C:8 22.42 -17.25 C:10 19.87 -17.25 C:9 21.10 -16.54 C:5 19.87 -18.71 26 1 -1 2 17 1 27 3 -2 4 20 2 5 21 2 6 22 2 7 11 1 7 23 2 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 13 1 12 14 1 12 25 1 13 26 1 14 28 1 15 18 1 28 15 -2 16 20 1 16 27 1 17 22 1 18 21 1 20 24 1 21 23 1 25 22 -2 23 28 1 25 27 1 26 27 1 26 28 1', '28 31 H 19.87 -16.24 C 26.06 -16.54 C 22.21 -15.60 O 18.67 -15.04 O 17.45 -21.53 O 23.60 -15.10 C 17.45 -18.71 C 20.62 -10.81 C 21.01 -12.14 C 18.75 -12.14 C 17.45 -17.25 C 22.42 -18.71 C 18.67 -16.54 C 21.16 -19.42 C 20.62 -19.97 C 21.10 -15.10 O 24.84 -17.25 O 20.01 -20.96 O 19.17 -10.81 C 19.87 -14.37 C 18.67 -20.77 C 23.60 -16.54 C 18.67 -19.42 C 19.87 -12.97 C 22.42 -17.25 C 19.87 -17.25 C 21.10 -16.54 C 19.87 -18.71 26 1 -1 2 17 1 27 3 -2 4 20 2 5 21 2 6 22 2 7 11 1 7 23 2 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 13 1 12 14 1 12 25 1 13 26 1 14 28 1 15 18 1 28 15 -2 16 20 1 16 27 1 17 22 1 18 21 1 20 24 1 21 23 1 25 22 -2 23 28 1 25 27 1 26 27 1 26 28 1', '28 31 H 19.87 -16.24 C:51 26.06 -16.54 C:19 22.21 -15.60 O 18.67 -15.04 O 17.45 -21.53 O 23.60 -15.10 C:136 17.45 -18.71 C:144 20.62 -10.81 C:109 21.01 -12.14 C:147 18.75 -12.14 C:27 17.45 -17.25 C:22 22.42 -18.71 C:20 18.67 -16.54 C:33 21.16 -19.42 C:71 20.62 -19.97 C:47 21.10 -15.10 O 24.84 -17.25 O 20.01 -20.96 O 19.17 -10.81 C:194 19.87 -14.37 C:169 18.67 -20.77 C:174 23.60 -16.54 C:138 18.67 -19.42 C:129 19.87 -12.97 C:49 22.42 -17.25 C:47 19.87 -17.25 C:40 21.10 -16.54 C:45 19.87 -18.71 26 1 -1 2 17 1 27 3 -2 4 20 2 5 21 2 6 22 2 7 11 1 7 23 2 8 9 2 8 19 1 9 24 1 10 19 1 10 24 2 11 13 1 12 14 1 12 25 1 13 26 1 14 28 1 15 18 1 28 15 -2 16 20 1 16 27 1 17 22 1 18 21 1 20 24 1 21 23 1 25 22 -2 23 28 1 25 27 1 26 27 1 26 28 1', 'C21H24O6', 372.229, 'C', 'np00_410_1', 3034, '', '', '1', 1, NULL, NULL),
(11765, 'Nasimalun B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O[CH3:18001])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([C:17](=O)O[CH3:17001])[C@:9]2([CH3:20])[CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3', '[H][C@]12CCC=C(C(=O)OC)[C@]1(C)CC[C@@H](C(=O)OC)[C@]2(C)CCc3ccoc3', '[H][C@:46]12[CH2:17][CH2:27][CH:137]=[C:142]([C:168](=O)O[CH3:51])[C@:37]1([CH3:21])[CH2:35][CH2:22][C@@H:49]([C:175](=O)O[CH3:51])[C@:39]2([CH3:20])[CH2:41][CH2:18][c:125]3[cH:111][cH:143]o[cH:139]3', '28 30 H 14.29 -9.98 C:18001 11.86 -16.63 C:17001 20.40 -10.28 C:19 14.29 -13.84 C:20 16.58 -9.34 O 14.29 -15.23 O 17.98 -8.85 C:3 11.86 -12.41 C:15 14.99 -4.56 C:14 15.43 -5.89 C:16 13.16 -5.89 C:2 11.86 -10.99 C:12 14.29 -8.11 C:7 16.77 -12.41 C:1 13.08 -10.28 C:6 15.51 -13.12 C:11 15.51 -8.85 O 11.86 -15.23 O 19.20 -10.99 O 13.59 -4.56 C:18 13.08 -14.53 C:17 17.98 -10.28 C:4 13.08 -13.12 C:13 14.29 -6.71 C:8 16.77 -10.99 C:5 14.29 -12.41 C:10 14.29 -10.99 C:9 15.51 -10.28 27 1 -1 2 18 1 3 19 1 26 4 -2 28 5 -2 6 21 2 7 22 2 8 12 1 8 23 2 9 10 2 9 20 1 10 24 1 11 20 1 11 24 2 12 15 1 13 17 1 13 24 1 14 16 1 14 25 1 15 27 1 16 26 1 17 28 1 18 21 1 19 22 1 21 23 1 25 22 -2 23 26 1 25 28 1 26 27 1 27 28 1', '28 30 H 14.29 -9.98 C 11.86 -16.63 C 20.40 -10.28 C 14.29 -13.84 C 16.58 -9.34 O 14.29 -15.23 O 17.98 -8.85 C 11.86 -12.41 C 14.99 -4.56 C 15.43 -5.89 C 13.16 -5.89 C 11.86 -10.99 C 14.29 -8.11 C 16.77 -12.41 C 13.08 -10.28 C 15.51 -13.12 C 15.51 -8.85 O 11.86 -15.23 O 19.20 -10.99 O 13.59 -4.56 C 13.08 -14.53 C 17.98 -10.28 C 13.08 -13.12 C 14.29 -6.71 C 16.77 -10.99 C 14.29 -12.41 C 14.29 -10.99 C 15.51 -10.28 27 1 -1 2 18 1 3 19 1 26 4 -2 28 5 -2 6 21 2 7 22 2 8 12 1 8 23 2 9 10 2 9 20 1 10 24 1 11 20 1 11 24 2 12 15 1 13 17 1 13 24 1 14 16 1 14 25 1 15 27 1 16 26 1 17 28 1 18 21 1 19 22 1 21 23 1 25 22 -2 23 26 1 25 28 1 26 27 1 27 28 1', '28 30 H 14.29 -9.98 C:51 11.86 -16.63 C:51 20.40 -10.28 C:21 14.29 -13.84 C:20 16.58 -9.34 O 14.29 -15.23 O 17.98 -8.85 C:137 11.86 -12.41 C:143 14.99 -4.56 C:111 15.43 -5.89 C:139 13.16 -5.89 C:27 11.86 -10.99 C:18 14.29 -8.11 C:22 16.77 -12.41 C:17 13.08 -10.28 C:35 15.51 -13.12 C:41 15.51 -8.85 O 11.86 -15.23 O 19.20 -10.99 O 13.59 -4.56 C:168 13.08 -14.53 C:175 17.98 -10.28 C:142 13.08 -13.12 C:125 14.29 -6.71 C:49 16.77 -10.99 C:37 14.29 -12.41 C:46 14.29 -10.99 C:39 15.51 -10.28 27 1 -1 2 18 1 3 19 1 26 4 -2 28 5 -2 6 21 2 7 22 2 8 12 1 8 23 2 9 10 2 9 20 1 10 24 1 11 20 1 11 24 2 12 15 1 13 17 1 13 24 1 14 16 1 14 25 1 15 27 1 16 26 1 17 28 1 18 21 1 19 22 1 21 23 1 25 22 -2 23 26 1 25 28 1 26 27 1 27 28 1', 'C22H30O5', 374.24, 'C', 'np00_410_2', 3034, '', '', '1', 1, NULL, NULL),
(11766, '', '(2ab,3R,5ab,6b,7a,8aa)-6-[2-(3-furanyl)ethyl]-2a,3,4,5,5a,6,7,8,8a,8b-Decahydro-2a,3-dihydroxy-6,7,8b-trimethyl-2H-naphtho[1,8-bc]furan-2-one', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:6]23[CH2:7][C@H:8]([CH3:17])[C@@:9]([CH3:20])([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)[C@:10]4([H])[CH2:1][CH2:2][C@H:3](O)[C@:4](O)([C:18](=O)O2)[C@:5]34[CH3:19]', '[H][C@@]23C[C@H](C)[C@@](C)(CCc1ccoc1)[C@]4([H])CC[C@H](O)[C@](O)(C(=O)O2)[C@]34C', '[H][C@@:76]23[CH2:29][C@H:37]([CH3:19])[C@@:40]([CH3:23])([CH2:46][CH2:20][c:125]1[cH:111][cH:143]o[cH:139]1)[C@:42]4([H])[CH2:19][CH2:28][C@H:72](O)[C@:81](O)([C:181](=O)O2)[C@:46]34[CH3:18]', '27 30 H 18.18 -14.36 H 16.14 -10.54 C:17 19.82 -10.82 C:20 18.44 -9.89 C:19 16.14 -14.36 O 14.29 -16.08 O 12.47 -13.63 O 13.69 -14.36 C:15 16.83 -5.13 C:14 17.26 -6.45 C:16 15.02 -6.45 C:12 16.14 -8.67 C:2 13.69 -11.55 C:1 14.89 -10.82 C:11 17.36 -9.39 C:7 18.62 -12.94 O 16.97 -15.08 O 15.44 -5.13 C:18 15.25 -15.08 C:13 16.14 -7.27 C:8 18.62 -11.55 C:3 13.69 -12.94 C:6 17.36 -13.63 C:10 16.14 -11.55 C:9 17.36 -10.82 C:5 16.14 -12.94 C:4 14.89 -13.63 23 1 -1 24 2 -2 21 3 -1 25 4 -1 26 5 -2 6 19 2 22 7 -1 27 8 -2 9 10 2 9 18 1 10 20 1 11 18 1 11 20 2 12 15 1 12 20 1 13 14 1 13 22 1 14 24 1 15 25 1 16 21 1 16 23 1 17 19 1 17 23 1 19 27 1 21 25 1 22 27 1 23 26 1 24 25 1 24 26 1 26 27 1', '27 30 H 18.18 -14.36 H 16.14 -10.54 C 19.82 -10.82 C 18.44 -9.89 C 16.14 -14.36 O 14.29 -16.08 O 12.47 -13.63 O 13.69 -14.36 C 16.83 -5.13 C 17.26 -6.45 C 15.02 -6.45 C 16.14 -8.67 C 13.69 -11.55 C 14.89 -10.82 C 17.36 -9.39 C 18.62 -12.94 O 16.97 -15.08 O 15.44 -5.13 C 15.25 -15.08 C 16.14 -7.27 C 18.62 -11.55 C 13.69 -12.94 C 17.36 -13.63 C 16.14 -11.55 C 17.36 -10.82 C 16.14 -12.94 C 14.89 -13.63 23 1 -1 24 2 -2 21 3 -1 25 4 -1 26 5 -2 6 19 2 22 7 -1 27 8 -2 9 10 2 9 18 1 10 20 1 11 18 1 11 20 2 12 15 1 12 20 1 13 14 1 13 22 1 14 24 1 15 25 1 16 21 1 16 23 1 17 19 1 17 23 1 19 27 1 21 25 1 22 27 1 23 26 1 24 25 1 24 26 1 26 27 1', '27 30 H 18.18 -14.36 H 16.14 -10.54 C:19 19.82 -10.82 C:23 18.44 -9.89 C:18 16.14 -14.36 O 14.29 -16.08 O 12.47 -13.63 O 13.69 -14.36 C:143 16.83 -5.13 C:111 17.26 -6.45 C:139 15.02 -6.45 C:20 16.14 -8.67 C:28 13.69 -11.55 C:19 14.89 -10.82 C:46 17.36 -9.39 C:29 18.62 -12.94 O 16.97 -15.08 O 15.44 -5.13 C:181 15.25 -15.08 C:125 16.14 -7.27 C:37 18.62 -11.55 C:72 13.69 -12.94 C:76 17.36 -13.63 C:42 16.14 -11.55 C:40 17.36 -10.82 C:46 16.14 -12.94 C:81 14.89 -13.63 23 1 -1 24 2 -2 21 3 -1 25 4 -1 26 5 -2 6 19 2 22 7 -1 27 8 -2 9 10 2 9 18 1 10 20 1 11 18 1 11 20 2 12 15 1 12 20 1 13 14 1 13 22 1 14 24 1 15 25 1 16 21 1 16 23 1 17 19 1 17 23 1 19 27 1 21 25 1 22 27 1 23 26 1 24 25 1 24 26 1 26 27 1', 'C20H28O5', 348.227, 'C', 'np00_509_1', 3035, '', '', '1', 1, NULL, NULL),
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(11776, '12-epi-Teucjaponin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]35[CH2:11][C@H:12]([c:13]4[cH:14][cH:15]o[cH:16]4)O[C:20]5=O', '[H][C@]23CCC[C@]1(CO1)[C@]2(COC(C)=O)[C@H](O)C[C@@H](C)[C@]35C[C@H](c4ccoc4)OC5=O', '[H][C@:44]23[CH2:22][CH2:25][CH2:33][C@:63]1([CH2:52]O1)[C@:46]2([CH2:64]O[C:171]([CH3:21])=O)[C@H:66](O)[CH2:36][C@@H:34]([CH3:17])[C@:52]35[CH2:45][C@H:72]([c:125]4[cH:108][cH:144]o[cH:139]4)O[C:177]5=O', '30 34 H 15.50 -9.35 C:19002 14.28 -16.91 C:17 19.17 -9.65 O 13.08 -14.80 O 19.17 -9.21 O 16.71 -13.90 C:15 14.37 -4.23 C:14 15.50 -5.07 C:16 13.72 -6.41 C:2 13.08 -10.35 C:1 14.28 -9.65 C:3 13.08 -11.76 C:19 15.50 -13.40 C:18 14.28 -13.90 C:7 17.95 -11.76 C:11 15.57 -8.85 O 15.50 -14.80 O 13.08 -13.20 O 17.36 -7.50 O 13.25 -5.07 C:19001 14.28 -15.50 C:20 17.84 -8.85 C:13 15.11 -6.41 C:8 17.95 -10.35 C:6 16.71 -12.48 C:12 15.97 -7.50 C:10 15.50 -10.35 C:4 14.28 -12.48 C:9 16.71 -9.65 C:5 15.50 -11.76 27 1 -1 2 21 1 24 3 -2 4 21 2 5 22 2 25 6 -1 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 11 1 10 12 1 11 27 1 12 28 1 13 17 1 30 13 -2 14 18 1 28 14 -1 15 24 1 15 25 1 16 26 1 29 16 -1 17 21 1 28 18 -2 19 22 1 19 26 1 29 22 -2 26 23 -2 24 29 1 25 30 1 27 29 1 27 30 1 28 30 1', '30 34 H 15.50 -9.35 C 14.28 -16.91 C 19.17 -9.65 O 13.08 -14.80 O 19.17 -9.21 O 16.71 -13.90 C 14.37 -4.23 C 15.50 -5.07 C 13.72 -6.41 C 13.08 -10.35 C 14.28 -9.65 C 13.08 -11.76 C 15.50 -13.40 C 14.28 -13.90 C 17.95 -11.76 C 15.57 -8.85 O 15.50 -14.80 O 13.08 -13.20 O 17.36 -7.50 O 13.25 -5.07 C 14.28 -15.50 C 17.84 -8.85 C 15.11 -6.41 C 17.95 -10.35 C 16.71 -12.48 C 15.97 -7.50 C 15.50 -10.35 C 14.28 -12.48 C 16.71 -9.65 C 15.50 -11.76 27 1 -1 2 21 1 24 3 -2 4 21 2 5 22 2 25 6 -1 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 11 1 10 12 1 11 27 1 12 28 1 13 17 1 30 13 -2 14 18 1 28 14 -1 15 24 1 15 25 1 16 26 1 29 16 -1 17 21 1 28 18 -2 19 22 1 19 26 1 29 22 -2 26 23 -2 24 29 1 25 30 1 27 29 1 27 30 1 28 30 1', '30 34 H 15.50 -9.35 C:21 14.28 -16.91 C:17 19.17 -9.65 O 13.08 -14.80 O 19.17 -9.21 O 16.71 -13.90 C:144 14.37 -4.23 C:108 15.50 -5.07 C:139 13.72 -6.41 C:25 13.08 -10.35 C:22 14.28 -9.65 C:33 13.08 -11.76 C:64 15.50 -13.40 C:52 14.28 -13.90 C:36 17.95 -11.76 C:45 15.57 -8.85 O 15.50 -14.80 O 13.08 -13.20 O 17.36 -7.50 O 13.25 -5.07 C:171 14.28 -15.50 C:177 17.84 -8.85 C:125 15.11 -6.41 C:34 17.95 -10.35 C:66 16.71 -12.48 C:72 15.97 -7.50 C:44 15.50 -10.35 C:63 14.28 -12.48 C:52 16.71 -9.65 C:46 15.50 -11.76 27 1 -1 2 21 1 24 3 -2 4 21 2 5 22 2 25 6 -1 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 11 1 10 12 1 11 27 1 12 28 1 13 17 1 30 13 -2 14 18 1 28 14 -1 15 24 1 15 25 1 16 26 1 29 16 -1 17 21 1 28 18 -2 19 22 1 19 26 1 29 22 -2 26 23 -2 24 29 1 25 30 1 27 29 1 27 30 1 28 30 1', 'C22H28O7', 404.239, 'C', 'np00_1029_1', 3037, '', '', '1', 46, 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
(11777, '12-epi-Montanin B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH2:3][C:4]([CH2:18]O)=[C:5]1[C@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]24[CH2:11][C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:20]4=O', '[H][C@]12CCCC(CO)=C1[C@H](O)C[C@@H](C)[C@]24C[C@H](c3ccoc3)OC4=O', '[H][C@:39]12[CH2:22][CH2:26][CH2:28][C:134]([CH2:61]O)=[C:135]1[C@H:63](O)[CH2:36][C@@H:34]([CH3:17])[C@:54]24[CH2:41][C@H:71]([c:126]3[cH:108][cH:144]o[cH:140]3)O[C:177]4=O', '25 28 H 15.47 -10.48 C:17 19.22 -10.79 O 18.96 -10.18 O 13.01 -15.80 O 16.84 -15.08 C:15 14.30 -5.40 C:14 15.47 -6.20 C:16 13.67 -7.58 C:18 14.24 -15.08 C:2 13.01 -11.49 C:3 13.01 -12.97 C:1 14.24 -10.79 C:7 18.00 -12.97 C:11 15.53 -10.00 O 17.33 -8.59 O 13.19 -6.27 C:20 17.81 -9.91 C:4 14.24 -13.69 C:5 15.47 -12.97 C:13 15.06 -7.58 C:8 18.00 -11.49 C:6 16.77 -13.69 C:12 15.92 -8.64 C:10 15.47 -11.49 C:9 16.72 -10.79 24 1 -1 21 2 -2 3 17 2 4 9 1 22 5 -1 6 7 2 6 16 1 7 20 1 8 16 1 8 20 2 9 18 1 10 11 1 10 12 1 11 18 1 12 24 1 13 21 1 13 22 1 14 23 1 25 14 -1 15 17 1 15 23 1 25 17 -2 18 19 2 19 22 1 19 24 1 23 20 -2 21 25 1 24 25 1', '25 28 H 15.47 -10.48 C 19.22 -10.79 O 18.96 -10.18 O 13.01 -15.80 O 16.84 -15.08 C 14.30 -5.40 C 15.47 -6.20 C 13.67 -7.58 C 14.24 -15.08 C 13.01 -11.49 C 13.01 -12.97 C 14.24 -10.79 C 18.00 -12.97 C 15.53 -10.00 O 17.33 -8.59 O 13.19 -6.27 C 17.81 -9.91 C 14.24 -13.69 C 15.47 -12.97 C 15.06 -7.58 C 18.00 -11.49 C 16.77 -13.69 C 15.92 -8.64 C 15.47 -11.49 C 16.72 -10.79 24 1 -1 21 2 -2 3 17 2 4 9 1 22 5 -1 6 7 2 6 16 1 7 20 1 8 16 1 8 20 2 9 18 1 10 11 1 10 12 1 11 18 1 12 24 1 13 21 1 13 22 1 14 23 1 25 14 -1 15 17 1 15 23 1 25 17 -2 18 19 2 19 22 1 19 24 1 23 20 -2 21 25 1 24 25 1', '25 28 H 15.47 -10.48 C:17 19.22 -10.79 O 18.96 -10.18 O 13.01 -15.80 O 16.84 -15.08 C:144 14.30 -5.40 C:108 15.47 -6.20 C:140 13.67 -7.58 C:61 14.24 -15.08 C:26 13.01 -11.49 C:28 13.01 -12.97 C:22 14.24 -10.79 C:36 18.00 -12.97 C:41 15.53 -10.00 O 17.33 -8.59 O 13.19 -6.27 C:177 17.81 -9.91 C:134 14.24 -13.69 C:135 15.47 -12.97 C:126 15.06 -7.58 C:34 18.00 -11.49 C:63 16.77 -13.69 C:71 15.92 -8.64 C:39 15.47 -11.49 C:54 16.72 -10.79 24 1 -1 21 2 -2 3 17 2 4 9 1 22 5 -1 6 7 2 6 16 1 7 20 1 8 16 1 8 20 2 9 18 1 10 11 1 10 12 1 11 18 1 12 24 1 13 21 1 13 22 1 14 23 1 25 14 -1 15 17 1 15 23 1 25 17 -2 18 19 2 19 22 1 19 24 1 23 20 -2 21 25 1 24 25 1', 'C19H24O5', 332.208, 'C+D', 'np00_1029_3', 3037, '', '', '1', 46, NULL, NULL),
(11778, 'Teusalvin C', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O)[C@:5]1([CH2:19]O)[C@H:6](O)[CH2:7][C@@H:8]([CH3:17])[C@:9]24[CH2:11][C@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:20]4=O', '[H][C@]12CCC=C(CO)[C@]1(CO)[C@H](O)C[C@@H](C)[C@]24C[C@H](c3ccoc3)OC4=O', '[H][C@:44]12[CH2:19][CH2:27][CH:129]=[C:146]([CH2:65]O)[C@:49]1([CH2:67]O)[C@H:67](O)[CH2:35][C@@H:35]([CH3:18])[C@:53]24[CH2:46][C@H:72]([c:127]3[cH:109][cH:145]o[cH:140]3)O[C:178]4=O', '27 30 H 15.46 -10.47 C:17 19.20 -10.78 O 18.94 -10.17 O 13.00 -15.79 O 15.46 -15.79 O 16.83 -15.07 C:3 13.00 -12.96 C:15 14.29 -5.40 C:14 15.46 -6.19 C:16 13.66 -7.57 C:2 13.00 -11.48 C:18 14.23 -15.07 C:19 15.46 -14.36 C:1 14.23 -10.78 C:7 17.98 -12.96 C:11 15.52 -9.99 O 17.32 -8.58 O 13.18 -6.26 C:20 17.79 -9.90 C:4 14.23 -13.68 C:13 15.05 -7.57 C:8 17.98 -11.48 C:6 16.76 -13.68 C:12 15.91 -8.63 C:10 15.46 -11.48 C:5 15.46 -12.96 C:9 16.71 -10.78 25 1 -1 22 2 -2 3 19 2 4 12 1 5 13 1 23 6 -1 7 11 1 7 20 2 8 9 2 8 18 1 9 21 1 10 18 1 10 21 2 11 14 1 12 20 1 26 13 -2 14 25 1 15 22 1 15 23 1 16 24 1 27 16 -1 17 19 1 17 24 1 27 19 -2 20 26 1 24 21 -2 22 27 1 23 26 1 25 26 1 25 27 1', '27 30 H 15.46 -10.47 C 19.20 -10.78 O 18.94 -10.17 O 13.00 -15.79 O 15.46 -15.79 O 16.83 -15.07 C 13.00 -12.96 C 14.29 -5.40 C 15.46 -6.19 C 13.66 -7.57 C 13.00 -11.48 C 14.23 -15.07 C 15.46 -14.36 C 14.23 -10.78 C 17.98 -12.96 C 15.52 -9.99 O 17.32 -8.58 O 13.18 -6.26 C 17.79 -9.90 C 14.23 -13.68 C 15.05 -7.57 C 17.98 -11.48 C 16.76 -13.68 C 15.91 -8.63 C 15.46 -11.48 C 15.46 -12.96 C 16.71 -10.78 25 1 -1 22 2 -2 3 19 2 4 12 1 5 13 1 23 6 -1 7 11 1 7 20 2 8 9 2 8 18 1 9 21 1 10 18 1 10 21 2 11 14 1 12 20 1 26 13 -2 14 25 1 15 22 1 15 23 1 16 24 1 27 16 -1 17 19 1 17 24 1 27 19 -2 20 26 1 24 21 -2 22 27 1 23 26 1 25 26 1 25 27 1', '27 30 H 15.46 -10.47 C:18 19.20 -10.78 O 18.94 -10.17 O 13.00 -15.79 O 15.46 -15.79 O 16.83 -15.07 C:129 13.00 -12.96 C:145 14.29 -5.40 C:109 15.46 -6.19 C:140 13.66 -7.57 C:27 13.00 -11.48 C:65 14.23 -15.07 C:67 15.46 -14.36 C:19 14.23 -10.78 C:35 17.98 -12.96 C:46 15.52 -9.99 O 17.32 -8.58 O 13.18 -6.26 C:178 17.79 -9.90 C:146 14.23 -13.68 C:127 15.05 -7.57 C:35 17.98 -11.48 C:67 16.76 -13.68 C:72 15.91 -8.63 C:44 15.46 -11.48 C:49 15.46 -12.96 C:53 16.71 -10.78 25 1 -1 22 2 -2 3 19 2 4 12 1 5 13 1 23 6 -1 7 11 1 7 20 2 8 9 2 8 18 1 9 21 1 10 18 1 10 21 2 11 14 1 12 20 1 26 13 -2 14 25 1 15 22 1 15 23 1 16 24 1 27 16 -1 17 19 1 17 24 1 27 19 -2 20 26 1 24 21 -2 22 27 1 23 26 1 25 26 1 25 27 1', 'C20H26O6', 362.218, 'P', 'np00_1029_4', 3037, '', '', '1', 46, NULL, NULL),
(11779, '12-epi-Diacetylmontanin D', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH2:3][C@@:4]2([CH2:18]O[C:18001]([CH3:18002])=O)O[CH2:19][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]35[CH2:11][C@H:12]([c:13]4[cH:14][cH:15]o[cH:16]4)O[C:20]5=O', '[H][C@]13CCC[C@@]2(COC(C)=O)OC[C@@]12[C@H](OC(C)=O)C[C@@H](C)[C@]35C[C@H](c4ccoc4)OC5=O', '[H][C@:36]13[CH2:22][CH2:16][CH2:29][C@@:86]2([CH2:67]O[C:170]([CH3:21])=O)O[CH2:73][C@@:46]12[C@H:73](O[C:171]([CH3:21])=O)[CH2:30][C@@H:35]([CH3:17])[C@:53]35[CH2:41][C@H:72]([c:125]4[cH:108][cH:144]o[cH:139]4)O[C:177]5=O', '33 37 H 16.61 -9.71 C:18002 11.76 -16.45 C:6002 19.22 -16.35 C:17 20.44 -10.03 O 14.18 -16.45 O 20.44 -14.23 O 20.09 -9.42 C:15 15.44 -4.67 C:14 16.61 -5.46 C:16 14.81 -6.83 C:2 14.18 -10.72 C:1 15.38 -10.03 C:3 14.18 -12.22 C:18 14.18 -13.62 C:19 16.61 -13.62 C:7 19.14 -12.22 C:11 16.67 -9.24 O 12.96 -14.33 O 15.38 -14.33 O 18.48 -7.88 O 17.99 -14.33 O 14.32 -5.53 C:18001 12.96 -15.74 C:6001 19.22 -14.95 C:20 18.95 -9.15 C:13 16.20 -6.83 C:8 19.14 -10.72 C:12 17.07 -7.88 C:6 17.92 -12.92 C:10 16.61 -10.72 C:4 15.38 -12.92 C:9 17.92 -10.03 C:5 16.61 -12.22 30 1 -1 2 23 1 3 24 1 27 4 -2 5 23 2 6 24 2 7 25 2 8 9 2 8 22 1 9 26 1 10 22 1 10 26 2 11 12 1 11 13 1 12 30 1 13 31 1 14 18 1 31 14 -1 15 19 1 33 15 -2 16 27 1 16 29 1 17 28 1 32 17 -1 18 23 1 31 19 -2 20 25 1 20 28 1 21 24 1 29 21 -1 32 25 -2 28 26 -2 27 32 1 29 33 1 30 32 1 30 33 1 31 33 1', '33 37 H 16.61 -9.71 C 11.76 -16.45 C 19.22 -16.35 C 20.44 -10.03 O 14.18 -16.45 O 20.44 -14.23 O 20.09 -9.42 C 15.44 -4.67 C 16.61 -5.46 C 14.81 -6.83 C 14.18 -10.72 C 15.38 -10.03 C 14.18 -12.22 C 14.18 -13.62 C 16.61 -13.62 C 19.14 -12.22 C 16.67 -9.24 O 12.96 -14.33 O 15.38 -14.33 O 18.48 -7.88 O 17.99 -14.33 O 14.32 -5.53 C 12.96 -15.74 C 19.22 -14.95 C 18.95 -9.15 C 16.20 -6.83 C 19.14 -10.72 C 17.07 -7.88 C 17.92 -12.92 C 16.61 -10.72 C 15.38 -12.92 C 17.92 -10.03 C 16.61 -12.22 30 1 -1 2 23 1 3 24 1 27 4 -2 5 23 2 6 24 2 7 25 2 8 9 2 8 22 1 9 26 1 10 22 1 10 26 2 11 12 1 11 13 1 12 30 1 13 31 1 14 18 1 31 14 -1 15 19 1 33 15 -2 16 27 1 16 29 1 17 28 1 32 17 -1 18 23 1 31 19 -2 20 25 1 20 28 1 21 24 1 29 21 -1 32 25 -2 28 26 -2 27 32 1 29 33 1 30 32 1 30 33 1 31 33 1', '33 37 H 16.61 -9.71 C:21 11.76 -16.45 C:21 19.22 -16.35 C:17 20.44 -10.03 O 14.18 -16.45 O 20.44 -14.23 O 20.09 -9.42 C:144 15.44 -4.67 C:108 16.61 -5.46 C:139 14.81 -6.83 C:16 14.18 -10.72 C:22 15.38 -10.03 C:29 14.18 -12.22 C:67 14.18 -13.62 C:73 16.61 -13.62 C:30 19.14 -12.22 C:41 16.67 -9.24 O 12.96 -14.33 O 15.38 -14.33 O 18.48 -7.88 O 17.99 -14.33 O 14.32 -5.53 C:170 12.96 -15.74 C:171 19.22 -14.95 C:177 18.95 -9.15 C:125 16.20 -6.83 C:35 19.14 -10.72 C:72 17.07 -7.88 C:73 17.92 -12.92 C:36 16.61 -10.72 C:86 15.38 -12.92 C:53 17.92 -10.03 C:46 16.61 -12.22 30 1 -1 2 23 1 3 24 1 27 4 -2 5 23 2 6 24 2 7 25 2 8 9 2 8 22 1 9 26 1 10 22 1 10 26 2 11 12 1 11 13 1 12 30 1 13 31 1 14 18 1 31 14 -1 15 19 1 33 15 -2 16 27 1 16 29 1 17 28 1 32 17 -1 18 23 1 31 19 -2 20 25 1 20 28 1 21 24 1 29 21 -1 32 25 -2 28 26 -2 27 32 1 29 33 1 30 32 1 30 33 1 31 33 1', 'C24H30O8', 446.26, 'C', 'np00_1029_5', 3037, '', '', '1', 46, NULL, NULL),
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(11790, 'Pentandralactone', '2-Formyl-12S-hydroxy-A-norcleroda-2,13(14)-dien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Abeo-Clerodanes', '[H][C@:10]12[CH2:1][C:2]([CH:3]=O)=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][C@H:12](O)[C:13]3=[CH:14][C:15](=O)O[CH2:16]3', '[H][C@]12CC(C=O)=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)C[C@H](O)C3=CC(=O)OC3', '[H][C@:56]12[CH2:27][C:138]([CH:188]=O)=[C:170]([CH3:99])[C@:51]1([CH3:17])[CH2:34][CH2:29][C@@H:38]([CH3:15])[C@:39]2([CH3:17])[CH2:46][C@H:66](O)[C:173]3=[CH:115][C:173](=O)O[CH2:70]3', '25 27 H 16.42 -11.77 C:18 14.62 -15.98 C:17 20.08 -12.07 C:19 16.42 -15.65 C:20 18.69 -11.13 O 12.12 -12.28 O 17.82 -5.21 O 15.20 -10.60 C:3 12.83 -13.51 C:14 17.50 -7.74 C:7 18.87 -14.22 C:16 15.20 -7.74 C:6 17.62 -14.94 C:1 15.05 -12.36 C:11 17.62 -10.60 O 15.65 -6.40 C:15 17.04 -6.40 C:4 15.05 -14.64 C:2 14.24 -13.51 C:13 16.42 -8.54 C:8 18.87 -12.79 C:12 16.42 -9.93 C:5 16.42 -14.22 C:10 16.42 -12.79 C:9 17.62 -12.07 24 1 -1 2 18 1 21 3 -2 23 4 -2 25 5 -2 6 9 2 7 17 2 22 8 -2 9 19 1 10 17 1 10 20 2 11 13 1 11 21 1 12 16 1 12 20 1 13 23 1 14 19 1 14 24 1 15 22 1 15 25 1 16 17 1 18 19 2 18 23 1 20 22 1 21 25 1 23 24 1 24 25 1', '25 27 H 16.42 -11.77 C 14.62 -15.98 C 20.08 -12.07 C 16.42 -15.65 C 18.69 -11.13 O 12.12 -12.28 O 17.82 -5.21 O 15.20 -10.60 C 12.83 -13.51 C 17.50 -7.74 C 18.87 -14.22 C 15.20 -7.74 C 17.62 -14.94 C 15.05 -12.36 C 17.62 -10.60 O 15.65 -6.40 C 17.04 -6.40 C 15.05 -14.64 C 14.24 -13.51 C 16.42 -8.54 C 18.87 -12.79 C 16.42 -9.93 C 16.42 -14.22 C 16.42 -12.79 C 17.62 -12.07 24 1 -1 2 18 1 21 3 -2 23 4 -2 25 5 -2 6 9 2 7 17 2 22 8 -2 9 19 1 10 17 1 10 20 2 11 13 1 11 21 1 12 16 1 12 20 1 13 23 1 14 19 1 14 24 1 15 22 1 15 25 1 16 17 1 18 19 2 18 23 1 20 22 1 21 25 1 23 24 1 24 25 1', '25 27 H 16.42 -11.77 C:9 14.62 -15.98 C:15 20.08 -12.07 C:17 16.42 -15.65 C:17 18.69 -11.13 O 12.12 -12.28 O 17.82 -5.21 O 15.20 -10.60 C:188 12.83 -13.51 C:115 17.50 -7.74 C:29 18.87 -14.22 C:70 15.20 -7.74 C:34 17.62 -14.94 C:27 15.05 -12.36 C:46 17.62 -10.60 O 15.65 -6.40 C:173 17.04 -6.40 C:170 15.05 -14.64 C:138 14.24 -13.51 C:173 16.42 -8.54 C:38 18.87 -12.79 C:66 16.42 -9.93 C:51 16.42 -14.22 C:56 16.42 -12.79 C:39 17.62 -12.07 24 1 -1 2 18 1 21 3 -2 23 4 -2 25 5 -2 6 9 2 7 17 2 22 8 -2 9 19 1 10 17 1 10 20 2 11 13 1 11 21 1 12 16 1 12 20 1 13 23 1 14 19 1 14 24 1 15 22 1 15 25 1 16 17 1 18 19 2 18 23 1 20 22 1 21 25 1 23 24 1 24 25 1', 'C20H28O4', 332.22, 'B', 'np00_1062_4', 3039, '', '', '1', 46, NULL, NULL),
(11791, 'Echinophyllin C', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]3=[CH:14][CH2:15]N[C:16]3=O', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC3=CCNC3=O', '[H][C@:49]12[CH2:20][CH2:29][CH:135]=[C:142]([C:175](=O)O)[C@:39]1([CH3:22])[CH2:39][CH2:28][C@@H:38]([CH3:17])[C@:41]2([CH3:20])[CH2:38][CH2:21][C:147]3=[CH:140][CH2:49]N[C:178]3=O', '25 27 H 15.50 -10.66 C:17 19.20 -10.96 C:19 15.50 -14.53 C:20 17.80 -10.02 O 15.50 -15.93 O 13.07 -7.00 O 13.07 -15.93 C:14 16.65 -6.57 C:3 13.07 -13.10 C:2 13.07 -11.68 C:15 16.21 -5.24 C:12 15.50 -8.81 C:7 17.99 -13.10 C:1 14.29 -10.96 C:11 16.73 -9.54 C:6 16.73 -13.81 N 14.81 -5.24 C:18 14.29 -15.23 C:16 14.37 -6.57 C:13 15.50 -7.40 C:4 14.29 -13.81 C:8 17.99 -11.68 C:5 15.50 -13.10 C:10 15.50 -11.68 C:9 16.73 -10.96 24 1 -1 22 2 -2 23 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 8 11 1 8 20 2 9 10 1 9 21 2 10 14 1 11 17 1 12 15 1 12 20 1 13 16 1 13 22 1 14 24 1 15 25 1 16 23 1 17 19 1 18 21 1 19 20 1 21 23 1 22 25 1 23 24 1 24 25 1', '25 27 H 15.50 -10.66 C 19.20 -10.96 C 15.50 -14.53 C 17.80 -10.02 O 15.50 -15.93 O 13.07 -7.00 O 13.07 -15.93 C 16.65 -6.57 C 13.07 -13.10 C 13.07 -11.68 C 16.21 -5.24 C 15.50 -8.81 C 17.99 -13.10 C 14.29 -10.96 C 16.73 -9.54 C 16.73 -13.81 N 14.81 -5.24 C 14.29 -15.23 C 14.37 -6.57 C 15.50 -7.40 C 14.29 -13.81 C 17.99 -11.68 C 15.50 -13.10 C 15.50 -11.68 C 16.73 -10.96 24 1 -1 22 2 -2 23 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 8 11 1 8 20 2 9 10 1 9 21 2 10 14 1 11 17 1 12 15 1 12 20 1 13 16 1 13 22 1 14 24 1 15 25 1 16 23 1 17 19 1 18 21 1 19 20 1 21 23 1 22 25 1 23 24 1 24 25 1', '25 27 H 15.50 -10.66 C:17 19.20 -10.96 C:22 15.50 -14.53 C:20 17.80 -10.02 O 15.50 -15.93 O 13.07 -7.00 O 13.07 -15.93 C:140 16.65 -6.57 C:135 13.07 -13.10 C:29 13.07 -11.68 C:49 16.21 -5.24 C:21 15.50 -8.81 C:28 17.99 -13.10 C:20 14.29 -10.96 C:38 16.73 -9.54 C:39 16.73 -13.81 N 14.81 -5.24 C:175 14.29 -15.23 C:178 14.37 -6.57 C:147 15.50 -7.40 C:142 14.29 -13.81 C:38 17.99 -11.68 C:39 15.50 -13.10 C:49 15.50 -11.68 C:41 16.73 -10.96 24 1 -1 22 2 -2 23 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 8 11 1 8 20 2 9 10 1 9 21 2 10 14 1 11 17 1 12 15 1 12 20 1 13 16 1 13 22 1 14 24 1 15 25 1 16 23 1 17 19 1 18 21 1 19 20 1 21 23 1 22 25 1 23 24 1 24 25 1', 'C20H29NO3', 331.227, 'M', 'np00_1576_1', 3040, '', '', '1', 46, NULL, NULL),
(11792, 'Echinophyllin D', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=O)N([CH2:16001][CH2:16002][c:16003]3[cH:16008][cH:16007][c:16006](O)[cH:16005][cH:16004]3)[CH2:16]4', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC4=CC(=O)N(CCc3ccc(O)cc3)C4', '[H][C@:48]12[CH2:19][CH2:29][CH:131]=[C:148]([C:173](=O)O)[C@:38]1([CH3:24])[CH2:38][CH2:28][C@@H:37]([CH3:16])[C@:40]2([CH3:20])[CH2:39][CH2:21][C:148]4=[CH:121][C:174](=O)N([CH2:45][CH2:35][c:131]3[cH:116][cH:131][c:157](O)[cH:131][cH:116]3)[CH2:57]4', '34 37 H 17.35 -13.40 C:17 21.04 -13.70 C:19 17.35 -17.27 C:20 19.65 -12.76 O 17.35 -18.67 O 18.88 -6.84 O 14.92 -18.67 O 11.17 -2.45 C:3 14.92 -15.84 C:14 18.50 -9.31 C:16007 11.42 -4.86 C:16005 13.38 -3.45 C:16008 12.24 -5.99 C:16004 14.20 -4.57 C:2 14.92 -14.42 C:12 17.35 -11.55 C:16002 14.45 -6.99 C:7 19.83 -15.84 C:16001 15.84 -6.84 C:16 16.22 -9.31 C:1 16.14 -13.70 C:11 18.58 -12.28 C:6 18.58 -16.55 C:18 16.14 -17.97 C:15 18.06 -7.98 C:13 17.35 -10.14 C:4 16.14 -16.55 C:16006 11.99 -3.59 C:16003 13.63 -5.85 C:8 19.83 -14.42 N 16.66 -7.98 C:5 17.35 -15.84 C:10 17.35 -14.42 C:9 18.58 -13.70 33 1 -1 30 2 -2 32 3 -2 34 4 -2 5 24 2 6 25 2 7 24 1 8 28 1 9 15 1 9 27 2 10 25 1 10 26 2 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 21 1 16 22 1 16 26 1 17 19 1 17 29 1 18 23 1 18 30 1 19 31 1 20 26 1 20 31 1 21 33 1 22 34 1 23 32 1 24 27 1 25 31 1 27 32 1 30 34 1 32 33 1 33 34 1', '34 37 H 17.35 -13.40 C 21.04 -13.70 C 17.35 -17.27 C 19.65 -12.76 O 17.35 -18.67 O 18.88 -6.84 O 14.92 -18.67 O 11.17 -2.45 C 14.92 -15.84 C 18.50 -9.31 C 11.42 -4.86 C 13.38 -3.45 C 12.24 -5.99 C 14.20 -4.57 C 14.92 -14.42 C 17.35 -11.55 C 14.45 -6.99 C 19.83 -15.84 C 15.84 -6.84 C 16.22 -9.31 C 16.14 -13.70 C 18.58 -12.28 C 18.58 -16.55 C 16.14 -17.97 C 18.06 -7.98 C 17.35 -10.14 C 16.14 -16.55 C 11.99 -3.59 C 13.63 -5.85 C 19.83 -14.42 N 16.66 -7.98 C 17.35 -15.84 C 17.35 -14.42 C 18.58 -13.70 33 1 -1 30 2 -2 32 3 -2 34 4 -2 5 24 2 6 25 2 7 24 1 8 28 1 9 15 1 9 27 2 10 25 1 10 26 2 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 21 1 16 22 1 16 26 1 17 19 1 17 29 1 18 23 1 18 30 1 19 31 1 20 26 1 20 31 1 21 33 1 22 34 1 23 32 1 24 27 1 25 31 1 27 32 1 30 34 1 32 33 1 33 34 1', '34 37 H 17.35 -13.40 C:16 21.04 -13.70 C:24 17.35 -17.27 C:20 19.65 -12.76 O 17.35 -18.67 O 18.88 -6.84 O 14.92 -18.67 O 11.17 -2.45 C:131 14.92 -15.84 C:121 18.50 -9.31 C:131 11.42 -4.86 C:131 13.38 -3.45 C:116 12.24 -5.99 C:116 14.20 -4.57 C:29 14.92 -14.42 C:21 17.35 -11.55 C:35 14.45 -6.99 C:28 19.83 -15.84 C:45 15.84 -6.84 C:57 16.22 -9.31 C:19 16.14 -13.70 C:39 18.58 -12.28 C:38 18.58 -16.55 C:173 16.14 -17.97 C:174 18.06 -7.98 C:148 17.35 -10.14 C:148 16.14 -16.55 C:157 11.99 -3.59 C:131 13.63 -5.85 C:37 19.83 -14.42 N 16.66 -7.98 C:38 17.35 -15.84 C:48 17.35 -14.42 C:40 18.58 -13.70 33 1 -1 30 2 -2 32 3 -2 34 4 -2 5 24 2 6 25 2 7 24 1 8 28 1 9 15 1 9 27 2 10 25 1 10 26 2 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 21 1 16 22 1 16 26 1 17 19 1 17 29 1 18 23 1 18 30 1 19 31 1 20 26 1 20 31 1 21 33 1 22 34 1 23 32 1 24 27 1 25 31 1 27 32 1 30 34 1 32 33 1 33 34 1', 'C28H37NO4', 451.312, 'M', 'np00_1576_2', 3040, '', '', '1', 46, 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
(11793, 'Echinophyllin E', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=O)N([CH2:16001][CH2:16002][CH2:16003][CH2:16004]N[C:16005](=O)[CH:16006]=[CH:16007][c:16008]3[cH:16013][cH:16012][c:16011](O)[c:16010](O[CH3:16014])[cH:16009]3)[CH2:16]4', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC4=CC(=O)N(CCCCNC(=O)C=Cc3ccc(O)c(OC)c3)C4', '[H][C@:49]12[CH2:19][CH2:29][CH:139]=[C:143]([C:172](=O)O)[C@:38]1([CH3:19])[CH2:38][CH2:29][C@@H:35]([CH3:17])[C@:38]2([CH3:17])[CH2:38][CH2:22][C:143]4=[CH:122][C:172](=O)N([CH2:41][CH2:29][CH2:29][CH2:38]N[C:165](=O)[CH:117]=[CH:140][c:126]3[cH:122][cH:112][c:146](O)[c:145](O[CH3:57])[cH:112]3)[CH2:50]4', '43 46 H 21.32 -14.46 C:16014 11.39 -1.49 C:17 25.02 -14.76 C:19 21.32 -18.33 C:20 23.62 -13.83 O 21.32 -19.73 O 13.25 -8.50 O 22.85 -7.90 O 18.90 -19.73 O 7.29 -2.56 C:16006 12.61 -6.15 C:16007 11.26 -6.51 C:3 18.90 -16.90 C:14 22.47 -10.37 C:16013 8.92 -5.88 C:16012 7.93 -4.89 C:16009 10.63 -4.17 C:2 18.90 -15.48 C:16003 17.30 -7.41 C:16002 18.29 -8.40 C:16004 15.95 -7.77 C:12 21.32 -12.62 C:7 23.81 -16.90 C:16001 19.64 -8.04 C:1 20.12 -14.76 C:11 22.55 -13.35 C:6 22.55 -17.61 C:16 20.20 -10.37 N 14.96 -6.78 O 10.03 -1.83 C:18 20.12 -19.03 C:16005 13.60 -7.14 C:15 22.03 -9.04 C:13 21.32 -11.20 C:4 20.12 -17.61 C:16008 10.27 -5.52 C:16011 8.29 -3.54 C:16010 9.65 -3.18 C:8 23.81 -15.48 N 20.63 -9.04 C:10 21.32 -15.48 C:5 21.32 -16.90 C:9 22.55 -14.76 41 1 -1 2 30 1 39 3 -2 42 4 -2 43 5 -2 6 31 2 7 32 2 8 33 2 9 31 1 10 37 1 11 12 2 11 32 1 12 36 1 13 18 1 13 35 2 14 33 1 14 34 2 15 16 2 15 36 1 16 37 1 17 36 2 17 38 1 18 25 1 19 20 1 19 21 1 20 24 1 21 29 1 22 26 1 22 34 1 23 27 1 23 39 1 24 40 1 25 41 1 26 43 1 27 42 1 28 34 1 28 40 1 29 32 1 30 38 1 31 35 1 33 40 1 35 42 1 37 38 2 39 43 1 41 42 1 41 43 1', '43 46 H 21.32 -14.46 C 11.39 -1.49 C 25.02 -14.76 C 21.32 -18.33 C 23.62 -13.83 O 21.32 -19.73 O 13.25 -8.50 O 22.85 -7.90 O 18.90 -19.73 O 7.29 -2.56 C 12.61 -6.15 C 11.26 -6.51 C 18.90 -16.90 C 22.47 -10.37 C 8.92 -5.88 C 7.93 -4.89 C 10.63 -4.17 C 18.90 -15.48 C 17.30 -7.41 C 18.29 -8.40 C 15.95 -7.77 C 21.32 -12.62 C 23.81 -16.90 C 19.64 -8.04 C 20.12 -14.76 C 22.55 -13.35 C 22.55 -17.61 C 20.20 -10.37 N 14.96 -6.78 O 10.03 -1.83 C 20.12 -19.03 C 13.60 -7.14 C 22.03 -9.04 C 21.32 -11.20 C 20.12 -17.61 C 10.27 -5.52 C 8.29 -3.54 C 9.65 -3.18 C 23.81 -15.48 N 20.63 -9.04 C 21.32 -15.48 C 21.32 -16.90 C 22.55 -14.76 41 1 -1 2 30 1 39 3 -2 42 4 -2 43 5 -2 6 31 2 7 32 2 8 33 2 9 31 1 10 37 1 11 12 2 11 32 1 12 36 1 13 18 1 13 35 2 14 33 1 14 34 2 15 16 2 15 36 1 16 37 1 17 36 2 17 38 1 18 25 1 19 20 1 19 21 1 20 24 1 21 29 1 22 26 1 22 34 1 23 27 1 23 39 1 24 40 1 25 41 1 26 43 1 27 42 1 28 34 1 28 40 1 29 32 1 30 38 1 31 35 1 33 40 1 35 42 1 37 38 2 39 43 1 41 42 1 41 43 1', '43 46 H 21.32 -14.46 C:57 11.39 -1.49 C:17 25.02 -14.76 C:19 21.32 -18.33 C:17 23.62 -13.83 O 21.32 -19.73 O 13.25 -8.50 O 22.85 -7.90 O 18.90 -19.73 O 7.29 -2.56 C:117 12.61 -6.15 C:140 11.26 -6.51 C:139 18.90 -16.90 C:122 22.47 -10.37 C:122 8.92 -5.88 C:112 7.93 -4.89 C:112 10.63 -4.17 C:29 18.90 -15.48 C:29 17.30 -7.41 C:29 18.29 -8.40 C:38 15.95 -7.77 C:22 21.32 -12.62 C:29 23.81 -16.90 C:41 19.64 -8.04 C:19 20.12 -14.76 C:38 22.55 -13.35 C:38 22.55 -17.61 C:50 20.20 -10.37 N 14.96 -6.78 O 10.03 -1.83 C:172 20.12 -19.03 C:165 13.60 -7.14 C:172 22.03 -9.04 C:143 21.32 -11.20 C:143 20.12 -17.61 C:126 10.27 -5.52 C:146 8.29 -3.54 C:145 9.65 -3.18 C:35 23.81 -15.48 N 20.63 -9.04 C:49 21.32 -15.48 C:38 21.32 -16.90 C:38 22.55 -14.76 41 1 -1 2 30 1 39 3 -2 42 4 -2 43 5 -2 6 31 2 7 32 2 8 33 2 9 31 1 10 37 1 11 12 2 11 32 1 12 36 1 13 18 1 13 35 2 14 33 1 14 34 2 15 16 2 15 36 1 16 37 1 17 36 2 17 38 1 18 25 1 19 20 1 19 21 1 20 24 1 21 29 1 22 26 1 22 34 1 23 27 1 23 39 1 24 40 1 25 41 1 26 43 1 27 42 1 28 34 1 28 40 1 29 32 1 30 38 1 31 35 1 33 40 1 35 42 1 37 38 2 39 43 1 41 42 1 41 43 1', 'C34H46N2O6', 578.382, 'M', 'np00_1576_3', 3040, '', '', '1', 46, NULL, NULL),
(11794, 'Echinophyllin F', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=O)N[CH2:16]3', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC3=CC(=O)NC3', '[H][C@:48]12[CH2:19][CH2:29][CH:137]=[C:145]([C:172](=O)O)[C@:38]1([CH3:21])[CH2:38][CH2:28][C@@H:37]([CH3:16])[C@:40]2([CH3:19])[CH2:39][CH2:24][C:146]3=[CH:121][C:178](=O)N[CH2:52]3', '25 27 H 15.50 -11.22 C:17 19.19 -11.52 C:19 15.50 -15.09 C:20 17.79 -10.58 O 15.50 -16.49 O 17.02 -4.66 O 13.07 -16.49 C:3 13.07 -13.66 C:14 16.64 -7.13 C:2 13.07 -12.24 C:12 15.50 -9.37 C:7 17.98 -13.66 C:16 14.37 -7.13 C:1 14.29 -11.52 C:11 16.72 -10.10 C:6 16.72 -14.37 N 14.81 -5.80 C:18 14.29 -15.79 C:15 16.20 -5.80 C:13 15.50 -7.96 C:4 14.29 -14.37 C:8 17.98 -12.24 C:5 15.50 -13.66 C:10 15.50 -12.24 C:9 16.72 -11.52 24 1 -1 22 2 -2 23 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 8 10 1 8 21 2 9 19 1 9 20 2 10 14 1 11 15 1 11 20 1 12 16 1 12 22 1 13 17 1 13 20 1 14 24 1 15 25 1 16 23 1 17 19 1 18 21 1 21 23 1 22 25 1 23 24 1 24 25 1', '25 27 H 15.50 -11.22 C 19.19 -11.52 C 15.50 -15.09 C 17.79 -10.58 O 15.50 -16.49 O 17.02 -4.66 O 13.07 -16.49 C 13.07 -13.66 C 16.64 -7.13 C 13.07 -12.24 C 15.50 -9.37 C 17.98 -13.66 C 14.37 -7.13 C 14.29 -11.52 C 16.72 -10.10 C 16.72 -14.37 N 14.81 -5.80 C 14.29 -15.79 C 16.20 -5.80 C 15.50 -7.96 C 14.29 -14.37 C 17.98 -12.24 C 15.50 -13.66 C 15.50 -12.24 C 16.72 -11.52 24 1 -1 22 2 -2 23 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 8 10 1 8 21 2 9 19 1 9 20 2 10 14 1 11 15 1 11 20 1 12 16 1 12 22 1 13 17 1 13 20 1 14 24 1 15 25 1 16 23 1 17 19 1 18 21 1 21 23 1 22 25 1 23 24 1 24 25 1', '25 27 H 15.50 -11.22 C:16 19.19 -11.52 C:21 15.50 -15.09 C:19 17.79 -10.58 O 15.50 -16.49 O 17.02 -4.66 O 13.07 -16.49 C:137 13.07 -13.66 C:121 16.64 -7.13 C:29 13.07 -12.24 C:24 15.50 -9.37 C:28 17.98 -13.66 C:52 14.37 -7.13 C:19 14.29 -11.52 C:39 16.72 -10.10 C:38 16.72 -14.37 N 14.81 -5.80 C:172 14.29 -15.79 C:178 16.20 -5.80 C:146 15.50 -7.96 C:145 14.29 -14.37 C:37 17.98 -12.24 C:38 15.50 -13.66 C:48 15.50 -12.24 C:40 16.72 -11.52 24 1 -1 22 2 -2 23 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 8 10 1 8 21 2 9 19 1 9 20 2 10 14 1 11 15 1 11 20 1 12 16 1 12 22 1 13 17 1 13 20 1 14 24 1 15 25 1 16 23 1 17 19 1 18 21 1 21 23 1 22 25 1 23 24 1 24 25 1', 'C20H29NO3', 331.227, 'M', 'np00_1576_4', 3040, '', '', '1', 46, NULL, NULL),
(11795, '', '{(4a,6b,8ab)-1-Hydroxymethyl-5(R)-[2-(3-furanyl)ethyl]-5,6,8a-trimethyl-3,4, 4a,5,6,7,8,8a-octahydronaphthalene}', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O)[C@@:5]1([CH3:19])[CH2:6][CH2:7][C@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3', '[H][C@@]12CCC=C(CO)[C@@]1(C)CC[C@H](C)[C@@]2(C)CCc3ccoc3', '[H][C@@:46]12[CH2:18][CH2:27][CH:122]=[C:148]([CH2:63]O)[C@@:38]1([CH3:21])[CH2:36][CH2:27][C@H:36]([CH3:16])[C@@:39]2([CH3:18])[CH2:39][CH2:18][c:126]3[cH:111][cH:143]o[cH:139]3', '23 25 H 15.49 -10.64 C:17 19.17 -10.94 C:19 15.49 -14.52 C:20 17.78 -10.01 O 13.06 -15.92 C:3 13.06 -13.09 C:15 16.19 -5.23 C:14 16.63 -6.56 C:16 14.36 -6.56 C:2 13.06 -11.66 C:18 14.28 -15.22 C:12 15.49 -8.80 C:7 17.97 -13.09 C:1 14.28 -10.94 C:11 16.71 -9.53 C:6 16.71 -13.80 O 14.79 -5.23 C:4 14.28 -13.80 C:13 15.49 -7.39 C:8 17.97 -11.66 C:5 15.49 -13.09 C:10 15.49 -11.66 C:9 16.71 -10.94 22 1 -2 20 2 -1 21 3 -1 23 4 -1 5 11 1 6 10 1 6 18 2 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 14 1 11 18 1 12 15 1 12 19 1 13 16 1 13 20 1 14 22 1 15 23 1 16 21 1 18 21 1 20 23 1 21 22 1 22 23 1', '23 25 H 15.49 -10.64 C 19.17 -10.94 C 15.49 -14.52 C 17.78 -10.01 O 13.06 -15.92 C 13.06 -13.09 C 16.19 -5.23 C 16.63 -6.56 C 14.36 -6.56 C 13.06 -11.66 C 14.28 -15.22 C 15.49 -8.80 C 17.97 -13.09 C 14.28 -10.94 C 16.71 -9.53 C 16.71 -13.80 O 14.79 -5.23 C 14.28 -13.80 C 15.49 -7.39 C 17.97 -11.66 C 15.49 -13.09 C 15.49 -11.66 C 16.71 -10.94 22 1 -2 20 2 -1 21 3 -1 23 4 -1 5 11 1 6 10 1 6 18 2 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 14 1 11 18 1 12 15 1 12 19 1 13 16 1 13 20 1 14 22 1 15 23 1 16 21 1 18 21 1 20 23 1 21 22 1 22 23 1', '23 25 H 15.49 -10.64 C:16 19.17 -10.94 C:21 15.49 -14.52 C:18 17.78 -10.01 O 13.06 -15.92 C:122 13.06 -13.09 C:143 16.19 -5.23 C:111 16.63 -6.56 C:139 14.36 -6.56 C:27 13.06 -11.66 C:63 14.28 -15.22 C:18 15.49 -8.80 C:27 17.97 -13.09 C:18 14.28 -10.94 C:39 16.71 -9.53 C:36 16.71 -13.80 O 14.79 -5.23 C:148 14.28 -13.80 C:126 15.49 -7.39 C:36 17.97 -11.66 C:38 15.49 -13.09 C:46 15.49 -11.66 C:39 16.71 -10.94 22 1 -2 20 2 -1 21 3 -1 23 4 -1 5 11 1 6 10 1 6 18 2 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 14 1 11 18 1 12 15 1 12 19 1 13 16 1 13 20 1 14 22 1 15 23 1 16 21 1 18 21 1 20 23 1 21 22 1 22 23 1', 'C20H30O2', 302.221, 'C', 'np00_1623_7', 3041, '', '', '1', 46, NULL, NULL),
(11796, '', '{(4a,6b,8ab)-1-Acetoxymethyl-5(R)-[2-(3-furanyl)ethyl]-5,6,8a-trimethyl-3,4, 4a,5,6,7,8,8a-octahydronaphthalene}', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O[C:18001]([CH3:18002])=O)[C@@:5]1([CH3:19])[CH2:6][CH2:7][C@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3', '[H][C@@]12CCC=C(COC(C)=O)[C@@]1(C)CC[C@H](C)[C@@]2(C)CCc3ccoc3', '[H][C@@:46]12[CH2:18][CH2:27][CH:126]=[C:143]([CH2:65]O[C:171]([CH3:21])=O)[C@@:38]1([CH3:21])[CH2:36][CH2:27][C@H:36]([CH3:16])[C@@:39]2([CH3:18])[CH2:39][CH2:18][c:126]3[cH:111][cH:143]o[cH:139]3', '26 28 H 16.10 -9.63 C:18002 12.46 -17.01 C:17 19.78 -9.93 C:19 16.10 -13.51 C:20 18.39 -8.99 O 14.89 -17.01 C:3 13.68 -12.08 C:15 16.80 -4.21 C:14 17.24 -5.54 C:16 14.97 -5.54 C:2 13.68 -10.65 C:12 16.10 -7.78 C:18 14.89 -14.21 C:7 18.58 -12.08 C:1 14.89 -9.93 C:11 17.32 -8.51 C:6 17.32 -12.79 O 13.68 -14.91 O 15.40 -4.21 C:18001 13.68 -16.31 C:4 14.89 -12.79 C:13 16.10 -6.37 C:8 18.58 -10.65 C:5 16.10 -12.08 C:10 16.10 -10.65 C:9 17.32 -9.93 25 1 -2 2 20 1 23 3 -1 24 4 -1 26 5 -1 6 20 2 7 11 1 7 21 2 8 9 2 8 19 1 9 22 1 10 19 1 10 22 2 11 15 1 12 16 1 12 22 1 13 18 1 13 21 1 14 17 1 14 23 1 15 25 1 16 26 1 17 24 1 18 20 1 21 24 1 23 26 1 24 25 1 25 26 1', '26 28 H 16.10 -9.63 C 12.46 -17.01 C 19.78 -9.93 C 16.10 -13.51 C 18.39 -8.99 O 14.89 -17.01 C 13.68 -12.08 C 16.80 -4.21 C 17.24 -5.54 C 14.97 -5.54 C 13.68 -10.65 C 16.10 -7.78 C 14.89 -14.21 C 18.58 -12.08 C 14.89 -9.93 C 17.32 -8.51 C 17.32 -12.79 O 13.68 -14.91 O 15.40 -4.21 C 13.68 -16.31 C 14.89 -12.79 C 16.10 -6.37 C 18.58 -10.65 C 16.10 -12.08 C 16.10 -10.65 C 17.32 -9.93 25 1 -2 2 20 1 23 3 -1 24 4 -1 26 5 -1 6 20 2 7 11 1 7 21 2 8 9 2 8 19 1 9 22 1 10 19 1 10 22 2 11 15 1 12 16 1 12 22 1 13 18 1 13 21 1 14 17 1 14 23 1 15 25 1 16 26 1 17 24 1 18 20 1 21 24 1 23 26 1 24 25 1 25 26 1', '26 28 H 16.10 -9.63 C:21 12.46 -17.01 C:16 19.78 -9.93 C:21 16.10 -13.51 C:18 18.39 -8.99 O 14.89 -17.01 C:126 13.68 -12.08 C:143 16.80 -4.21 C:111 17.24 -5.54 C:139 14.97 -5.54 C:27 13.68 -10.65 C:18 16.10 -7.78 C:65 14.89 -14.21 C:27 18.58 -12.08 C:18 14.89 -9.93 C:39 17.32 -8.51 C:36 17.32 -12.79 O 13.68 -14.91 O 15.40 -4.21 C:171 13.68 -16.31 C:143 14.89 -12.79 C:126 16.10 -6.37 C:36 18.58 -10.65 C:38 16.10 -12.08 C:46 16.10 -10.65 C:39 17.32 -9.93 25 1 -2 2 20 1 23 3 -1 24 4 -1 26 5 -1 6 20 2 7 11 1 7 21 2 8 9 2 8 19 1 9 22 1 10 19 1 10 22 2 11 15 1 12 16 1 12 22 1 13 18 1 13 21 1 14 17 1 14 23 1 15 25 1 16 26 1 17 24 1 18 20 1 21 24 1 23 26 1 24 25 1 25 26 1', 'C22H32O3', 344.242, 'C', 'np00_1623_8', 3041, '', '', '1', 46, NULL, NULL),
(11797, '', '{(4a,6b,8ab)-5(R)-[2-(3-Furanyl)ethyl]-1,5,6,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene}', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@@:5]1([CH3:19])[CH2:6][CH2:7][C@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3', '[H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CCc3ccoc3', '[H][C@@:46]12[CH2:18][CH2:27][CH:121]=[C:144]([CH3:18])[C@@:38]1([CH3:20])[CH2:37][CH2:27][C@H:36]([CH3:16])[C@@:38]2([CH3:18])[CH2:39][CH2:18][c:125]3[cH:111][cH:142]o[cH:138]3', '22 24 H 15.49 -11.03 C:18 14.28 -15.61 C:17 19.17 -11.33 C:19 15.49 -14.91 C:20 17.78 -10.39 C:3 13.07 -13.48 C:15 16.19 -5.61 C:14 16.63 -6.94 C:16 14.36 -6.94 C:2 13.07 -12.05 C:12 15.49 -9.18 C:7 17.97 -13.48 C:1 14.28 -11.33 C:6 16.71 -14.19 C:11 16.71 -9.91 O 14.79 -5.61 C:4 14.28 -14.19 C:13 15.49 -7.77 C:8 17.97 -12.05 C:5 15.49 -13.48 C:10 15.49 -12.05 C:9 16.71 -11.33 21 1 -2 2 17 1 19 3 -1 20 4 -1 22 5 -1 6 10 1 6 17 2 7 8 2 7 16 1 8 18 1 9 16 1 9 18 2 10 13 1 11 15 1 11 18 1 12 14 1 12 19 1 13 21 1 14 20 1 15 22 1 17 20 1 19 22 1 20 21 1 21 22 1', '22 24 H 15.49 -11.03 C 14.28 -15.61 C 19.17 -11.33 C 15.49 -14.91 C 17.78 -10.39 C 13.07 -13.48 C 16.19 -5.61 C 16.63 -6.94 C 14.36 -6.94 C 13.07 -12.05 C 15.49 -9.18 C 17.97 -13.48 C 14.28 -11.33 C 16.71 -14.19 C 16.71 -9.91 O 14.79 -5.61 C 14.28 -14.19 C 15.49 -7.77 C 17.97 -12.05 C 15.49 -13.48 C 15.49 -12.05 C 16.71 -11.33 21 1 -2 2 17 1 19 3 -1 20 4 -1 22 5 -1 6 10 1 6 17 2 7 8 2 7 16 1 8 18 1 9 16 1 9 18 2 10 13 1 11 15 1 11 18 1 12 14 1 12 19 1 13 21 1 14 20 1 15 22 1 17 20 1 19 22 1 20 21 1 21 22 1', '22 24 H 15.49 -11.03 C:18 14.28 -15.61 C:16 19.17 -11.33 C:20 15.49 -14.91 C:18 17.78 -10.39 C:121 13.07 -13.48 C:142 16.19 -5.61 C:111 16.63 -6.94 C:138 14.36 -6.94 C:27 13.07 -12.05 C:18 15.49 -9.18 C:27 17.97 -13.48 C:18 14.28 -11.33 C:37 16.71 -14.19 C:39 16.71 -9.91 O 14.79 -5.61 C:144 14.28 -14.19 C:125 15.49 -7.77 C:36 17.97 -12.05 C:38 15.49 -13.48 C:46 15.49 -12.05 C:38 16.71 -11.33 21 1 -2 2 17 1 19 3 -1 20 4 -1 22 5 -1 6 10 1 6 17 2 7 8 2 7 16 1 8 18 1 9 16 1 9 18 2 10 13 1 11 15 1 11 18 1 12 14 1 12 19 1 13 21 1 14 20 1 15 22 1 17 20 1 19 22 1 20 21 1 21 22 1', 'C20H30O', 286.221, 'C', 'np00_1623_9', 3041, '', '', '1', 46, 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
(11808, 'Scuterulein B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]14[C@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C:4](=[CH2:18])[C@:5]1([CH3:19])[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@:8]5([CH3:17])O[C@:13]2([CH2:16]O[C:15](=O)[CH2:14]2)[CH2:12][C@H:11](O[C:11001](=O)[c:11002]3[cH:11007][cH:11006][cH:11005][cH:11004][cH:11003]3)[C@:9]45[CH3:20]', '[H][C@]14[C@H](OC(C)=O)CCC(=C)[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]5(C)O[C@]2(COC(=O)C2)C[C@H](OC(=O)c3ccccc3)[C@]45C', '[H][C@:46]14[C@H:72](O[C:171]([CH3:21])=O)[CH2:30][CH2:27][C:151](=[CH2:107])[C@:45]1([CH3:19])[C@@H:73](O[C:170]([CH3:21])=O)[C@H:74](O[C:170]([CH3:21])=O)[C@:84]5([CH3:20])O[C@:78]2([CH2:79]O[C:174](=O)[CH2:43]2)[CH2:35][C@H:75](O[C:167](=O)[c:134]3[cH:130][cH:129][cH:128][cH:129][cH:130]3)[C@:44]45[CH3:18]', '45 49 H 14.92 -10.25 C:18 13.71 -14.82 C:1002 12.49 -7.14 C:7002 20.98 -13.39 C:6002 17.36 -16.91 C:17 17.36 -9.89 C:19 14.92 -14.11 C:20 16.16 -11.96 O 11.31 -9.28 O 19.75 -11.27 O 18.59 -14.82 O 20.87 -6.31 O 13.71 -6.31 C:11005 18.59 -5.02 C:11006 17.44 -4.29 C:11004 18.59 -6.42 C:11007 16.16 -4.95 C:11003 17.36 -7.14 C:3 12.49 -12.68 C:2 12.49 -11.27 C:16 19.89 -9.80 C:14 18.83 -7.78 C:12 17.36 -8.42 O 20.87 -8.79 O 13.71 -9.18 O 18.59 -13.39 O 16.16 -14.82 O 14.92 -8.42 O 18.59 -10.56 C:1001 12.49 -8.54 C:7001 19.75 -12.68 C:6001 17.36 -15.50 C:4 13.71 -13.39 C:15 20.21 -7.53 C:11001 14.92 -7.02 C:11002 16.16 -6.31 C:1 13.71 -10.56 C:11 16.16 -9.18 C:7 17.36 -12.68 C:6 16.16 -13.39 C:13 18.59 -9.18 C:10 14.92 -11.27 C:8 17.36 -11.27 C:5 14.92 -12.68 C:9 16.16 -10.56 42 1 -1 2 33 2 3 30 1 4 31 1 5 32 1 43 6 -2 44 7 -2 45 8 -2 9 30 2 10 31 2 11 32 2 12 34 2 13 35 2 14 15 1 14 16 2 15 17 2 16 18 1 17 36 1 18 36 2 19 20 1 19 33 1 20 37 1 21 24 1 41 21 -1 22 34 1 41 22 -2 23 38 1 23 41 1 24 34 1 25 30 1 37 25 -1 26 31 1 39 26 -1 27 32 1 40 27 -2 28 35 1 38 28 -1 29 41 1 29 43 1 33 44 1 35 36 1 37 42 1 38 45 1 39 40 1 39 43 1 40 44 1 42 44 1 42 45 1 43 45 1', '45 49 H 14.92 -10.25 C 13.71 -14.82 C 12.49 -7.14 C 20.98 -13.39 C 17.36 -16.91 C 17.36 -9.89 C 14.92 -14.11 C 16.16 -11.96 O 11.31 -9.28 O 19.75 -11.27 O 18.59 -14.82 O 20.87 -6.31 O 13.71 -6.31 C 18.59 -5.02 C 17.44 -4.29 C 18.59 -6.42 C 16.16 -4.95 C 17.36 -7.14 C 12.49 -12.68 C 12.49 -11.27 C 19.89 -9.80 C 18.83 -7.78 C 17.36 -8.42 O 20.87 -8.79 O 13.71 -9.18 O 18.59 -13.39 O 16.16 -14.82 O 14.92 -8.42 O 18.59 -10.56 C 12.49 -8.54 C 19.75 -12.68 C 17.36 -15.50 C 13.71 -13.39 C 20.21 -7.53 C 14.92 -7.02 C 16.16 -6.31 C 13.71 -10.56 C 16.16 -9.18 C 17.36 -12.68 C 16.16 -13.39 C 18.59 -9.18 C 14.92 -11.27 C 17.36 -11.27 C 14.92 -12.68 C 16.16 -10.56 42 1 -1 2 33 2 3 30 1 4 31 1 5 32 1 43 6 -2 44 7 -2 45 8 -2 9 30 2 10 31 2 11 32 2 12 34 2 13 35 2 14 15 1 14 16 2 15 17 2 16 18 1 17 36 1 18 36 2 19 20 1 19 33 1 20 37 1 21 24 1 41 21 -1 22 34 1 41 22 -2 23 38 1 23 41 1 24 34 1 25 30 1 37 25 -1 26 31 1 39 26 -1 27 32 1 40 27 -2 28 35 1 38 28 -1 29 41 1 29 43 1 33 44 1 35 36 1 37 42 1 38 45 1 39 40 1 39 43 1 40 44 1 42 44 1 42 45 1 43 45 1', '45 49 H 14.92 -10.25 C:107 13.71 -14.82 C:21 12.49 -7.14 C:21 20.98 -13.39 C:21 17.36 -16.91 C:20 17.36 -9.89 C:19 14.92 -14.11 C:18 16.16 -11.96 O 11.31 -9.28 O 19.75 -11.27 O 18.59 -14.82 O 20.87 -6.31 O 13.71 -6.31 C:128 18.59 -5.02 C:129 17.44 -4.29 C:129 18.59 -6.42 C:130 16.16 -4.95 C:130 17.36 -7.14 C:27 12.49 -12.68 C:30 12.49 -11.27 C:79 19.89 -9.80 C:43 18.83 -7.78 C:35 17.36 -8.42 O 20.87 -8.79 O 13.71 -9.18 O 18.59 -13.39 O 16.16 -14.82 O 14.92 -8.42 O 18.59 -10.56 C:171 12.49 -8.54 C:170 19.75 -12.68 C:170 17.36 -15.50 C:151 13.71 -13.39 C:174 20.21 -7.53 C:167 14.92 -7.02 C:134 16.16 -6.31 C:72 13.71 -10.56 C:75 16.16 -9.18 C:74 17.36 -12.68 C:73 16.16 -13.39 C:78 18.59 -9.18 C:46 14.92 -11.27 C:84 17.36 -11.27 C:45 14.92 -12.68 C:44 16.16 -10.56 42 1 -1 2 33 2 3 30 1 4 31 1 5 32 1 43 6 -2 44 7 -2 45 8 -2 9 30 2 10 31 2 11 32 2 12 34 2 13 35 2 14 15 1 14 16 2 15 17 2 16 18 1 17 36 1 18 36 2 19 20 1 19 33 1 20 37 1 21 24 1 41 21 -1 22 34 1 41 22 -2 23 38 1 23 41 1 24 34 1 25 30 1 37 25 -1 26 31 1 39 26 -1 27 32 1 40 27 -2 28 35 1 38 28 -1 29 41 1 29 43 1 33 44 1 35 36 1 37 42 1 38 45 1 39 40 1 39 43 1 40 44 1 42 44 1 42 45 1 43 45 1', 'C33H40O11', 612.354, 'C', 'np01_778_2', 3043, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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