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
(4012, '3a-hydroxyfriedelan-2-one', '3a-Hydroxy-D:A-friedo-olean-2-one', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@:8]24[CH2:7][CH2:6][C@:5]1([CH3:24])[C@@H:4]([CH3:23])[C@H:3](O)[C:2](=O)[CH2:1][C@@:10]1([H])[C@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@]24CC[C@]1(C)[C@@H](C)[C@H](O)C(=O)C[C@@]1([H])[C@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(C)CC[C@]3(C)CC[C@]45C', '[H][C@:53]24[CH2:18][CH2:41][C@:38]1([CH3:14])[C@@H:54]([CH3:11])[C@H:77](O)[C:212](=O)[CH2:36][C@@:60]1([H])[C@:38]2([CH3:17])[CH2:35][CH2:30][C@@:40]5([CH3:20])[C@:43]3([H])[CH2:35][C@:28]([CH3:35])([CH3:32])[CH2:33][CH2:39][C@:30]3([CH3:32])[CH2:36][CH2:32][C@:38]45[CH3:18]', '35 39 H 16.15 -8.34 H 18.65 -7.67 H 13.66 -8.34 C:23 12.43 -12.94 C:29 20.68 -3.17 C:30 18.99 -3.22 C:28 19.86 -5.80 C:24 13.66 -12.24 C:25 14.91 -10.08 C:26 17.46 -10.08 C:27 17.41 -5.80 O 10.00 -8.64 O 9.99 -11.49 C:21 21.11 -5.08 C:22 21.11 -6.52 C:16 19.86 -8.66 C:7 16.15 -10.79 C:6 14.91 -11.51 C:15 18.65 -9.36 C:11 14.91 -7.24 C:12 16.15 -6.52 C:1 12.43 -8.66 C:19 18.65 -5.08 C:4 12.43 -11.51 C:2 11.21 -9.36 C:3 11.21 -10.79 C:20 19.86 -4.37 C:17 19.86 -7.24 C:8 16.15 -9.36 C:18 18.65 -6.52 C:10 13.66 -9.36 C:5 13.66 -10.79 C:9 14.91 -8.66 C:14 17.41 -8.66 C:13 17.41 -7.24 29 1 -2 30 2 -1 31 3 -2 24 4 -1 27 5 -2 27 6 -1 28 7 -1 32 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 26 13 -2 14 15 1 14 27 1 15 28 1 16 19 1 16 28 1 17 18 1 17 29 1 18 32 1 19 34 1 20 21 1 20 33 1 21 35 1 22 25 1 22 31 1 23 27 1 23 30 1 24 26 1 24 32 1 25 26 1 28 30 1 29 33 1 29 34 1 30 35 1 31 32 1 31 33 1 34 35 1', '35 39 H 16.15 -8.34 H 18.65 -7.67 H 13.66 -8.34 C 12.43 -12.94 C 20.68 -3.17 C 18.99 -3.22 C 19.86 -5.80 C 13.66 -12.24 C 14.91 -10.08 C 17.46 -10.08 C 17.41 -5.80 O 10.00 -8.64 O 9.99 -11.49 C 21.11 -5.08 C 21.11 -6.52 C 19.86 -8.66 C 16.15 -10.79 C 14.91 -11.51 C 18.65 -9.36 C 14.91 -7.24 C 16.15 -6.52 C 12.43 -8.66 C 18.65 -5.08 C 12.43 -11.51 C 11.21 -9.36 C 11.21 -10.79 C 19.86 -4.37 C 19.86 -7.24 C 16.15 -9.36 C 18.65 -6.52 C 13.66 -9.36 C 13.66 -10.79 C 14.91 -8.66 C 17.41 -8.66 C 17.41 -7.24 29 1 -2 30 2 -1 31 3 -2 24 4 -1 27 5 -2 27 6 -1 28 7 -1 32 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 26 13 -2 14 15 1 14 27 1 15 28 1 16 19 1 16 28 1 17 18 1 17 29 1 18 32 1 19 34 1 20 21 1 20 33 1 21 35 1 22 25 1 22 31 1 23 27 1 23 30 1 24 26 1 24 32 1 25 26 1 28 30 1 29 33 1 29 34 1 30 35 1 31 32 1 31 33 1 34 35 1', '35 39 H 16.15 -8.34 H 18.65 -7.67 H 13.66 -8.34 C:11 12.43 -12.94 C:32 20.68 -3.17 C:35 18.99 -3.22 C:32 19.86 -5.80 C:14 13.66 -12.24 C:17 14.91 -10.08 C:18 17.46 -10.08 C:20 17.41 -5.80 O 10.00 -8.64 O 9.99 -11.49 C:33 21.11 -5.08 C:39 21.11 -6.52 C:36 19.86 -8.66 C:18 16.15 -10.79 C:41 14.91 -11.51 C:32 18.65 -9.36 C:35 14.91 -7.24 C:30 16.15 -6.52 C:36 12.43 -8.66 C:35 18.65 -5.08 C:54 12.43 -11.51 C:212 11.21 -9.36 C:77 11.21 -10.79 C:28 19.86 -4.37 C:30 19.86 -7.24 C:53 16.15 -9.36 C:43 18.65 -6.52 C:60 13.66 -9.36 C:38 13.66 -10.79 C:38 14.91 -8.66 C:38 17.41 -8.66 C:40 17.41 -7.24 29 1 -2 30 2 -1 31 3 -2 24 4 -1 27 5 -2 27 6 -1 28 7 -1 32 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 26 13 -2 14 15 1 14 27 1 15 28 1 16 19 1 16 28 1 17 18 1 17 29 1 18 32 1 19 34 1 20 21 1 20 33 1 21 35 1 22 25 1 22 31 1 23 27 1 23 30 1 24 26 1 24 32 1 25 26 1 28 30 1 29 33 1 29 34 1 30 35 1 31 32 1 31 33 1 34 35 1', 'C30H50O2', 442.344, 'C', 'A-376', 1768, '', '', '3', 1, NULL, NULL),
(4013, '3a-acetoxyfriedelan-2-one', '3a-Acetoxy-D: A-friedo-olean-2-one', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@:8]24[CH2:7][CH2:6][C@:5]1([CH3:24])[C@@H:4]([CH3:23])[C@H:3](O[C:3001]([CH3:3002])=O)[C:2](=O)[CH2:1][C@@:10]1([H])[C@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@]24CC[C@]1(C)[C@@H](C)[C@H](OC(C)=O)C(=O)C[C@@]1([H])[C@]2(C)CC[C@@]5(C)[C@]3([H])C[C@@](C)(C)CC[C@]3(C)CC[C@]45C', '[H][C@:53]24[CH2:18][CH2:41][C@:38]1([CH3:14])[C@@H:50]([CH3:11])[C@H:79](O[C:9999]([CH3:9999])=O)[C:204](=O)[CH2:37][C@@:60]1([H])[C@:37]2([CH3:17])[CH2:35][CH2:30][C@@:40]5([CH3:20])[C@:43]3([H])[CH2:35][C@@:28]([CH3:32])([CH3:35])[CH2:33][CH2:39][C@:30]3([CH3:32])[CH2:36][CH2:32][C@:38]45[CH3:18]', '38 42 H 17.38 -8.34 H 14.89 -8.34 H 19.88 -7.67 C:3002 8.79 -11.48 C:23 13.66 -12.94 C:30 20.22 -3.22 C:29 21.91 -3.17 C:28 21.09 -5.80 C:24 14.89 -12.24 C:25 16.14 -10.08 C:26 18.69 -10.08 C:27 18.64 -5.80 O 10.01 -9.39 C:21 22.34 -5.08 C:22 22.34 -6.52 C:16 21.09 -8.66 C:7 17.38 -10.79 C:6 16.14 -11.51 C:15 19.88 -9.36 C:11 16.14 -7.24 C:12 17.38 -6.52 C:1 13.66 -8.66 C:19 19.88 -5.08 O 11.22 -11.49 O 11.23 -8.64 C:3001 10.01 -10.79 C:4 13.66 -11.51 C:3 12.44 -10.79 C:2 12.44 -9.36 C:20 21.09 -4.37 C:17 21.09 -7.24 C:8 17.38 -9.36 C:10 14.89 -9.36 C:18 19.88 -6.52 C:5 14.89 -10.79 C:9 16.14 -8.66 C:14 18.64 -8.66 C:13 18.64 -7.24 32 1 -2 33 2 -2 34 3 -1 4 26 1 27 5 -1 30 6 -1 30 7 -2 31 8 -1 35 9 -1 36 10 -1 37 11 -1 38 12 -2 13 26 2 14 15 1 14 30 1 15 31 1 16 19 1 16 31 1 17 18 1 17 32 1 18 35 1 19 37 1 20 21 1 20 36 1 21 38 1 22 29 1 22 33 1 23 30 1 23 34 1 24 26 1 28 24 -2 25 29 2 27 28 1 27 35 1 28 29 1 31 34 1 32 36 1 32 37 1 33 35 1 33 36 1 34 38 1 37 38 1', '38 42 H 17.38 -8.34 H 14.89 -8.34 H 19.88 -7.67 C 8.79 -11.48 C 13.66 -12.94 C 20.22 -3.22 C 21.91 -3.17 C 21.09 -5.80 C 14.89 -12.24 C 16.14 -10.08 C 18.69 -10.08 C 18.64 -5.80 O 10.01 -9.39 C 22.34 -5.08 C 22.34 -6.52 C 21.09 -8.66 C 17.38 -10.79 C 16.14 -11.51 C 19.88 -9.36 C 16.14 -7.24 C 17.38 -6.52 C 13.66 -8.66 C 19.88 -5.08 O 11.22 -11.49 O 11.23 -8.64 C 10.01 -10.79 C 13.66 -11.51 C 12.44 -10.79 C 12.44 -9.36 C 21.09 -4.37 C 21.09 -7.24 C 17.38 -9.36 C 14.89 -9.36 C 19.88 -6.52 C 14.89 -10.79 C 16.14 -8.66 C 18.64 -8.66 C 18.64 -7.24 32 1 -2 33 2 -2 34 3 -1 4 26 1 27 5 -1 30 6 -1 30 7 -2 31 8 -1 35 9 -1 36 10 -1 37 11 -1 38 12 -2 13 26 2 14 15 1 14 30 1 15 31 1 16 19 1 16 31 1 17 18 1 17 32 1 18 35 1 19 37 1 20 21 1 20 36 1 21 38 1 22 29 1 22 33 1 23 30 1 23 34 1 24 26 1 28 24 -2 25 29 2 27 28 1 27 35 1 28 29 1 31 34 1 32 36 1 32 37 1 33 35 1 33 36 1 34 38 1 37 38 1', '38 42 H 17.38 -8.34 H 14.89 -8.34 H 19.88 -7.67 C 8.79 -11.48 C:11 13.66 -12.94 C:35 20.22 -3.22 C:32 21.91 -3.17 C:32 21.09 -5.80 C:14 14.89 -12.24 C:17 16.14 -10.08 C:18 18.69 -10.08 C:20 18.64 -5.80 O 10.01 -9.39 C:33 22.34 -5.08 C:39 22.34 -6.52 C:36 21.09 -8.66 C:18 17.38 -10.79 C:41 16.14 -11.51 C:32 19.88 -9.36 C:35 16.14 -7.24 C:30 17.38 -6.52 C:37 13.66 -8.66 C:35 19.88 -5.08 O 11.22 -11.49 O 11.23 -8.64 C 10.01 -10.79 C:50 13.66 -11.51 C:79 12.44 -10.79 C:204 12.44 -9.36 C:28 21.09 -4.37 C:30 21.09 -7.24 C:53 17.38 -9.36 C:60 14.89 -9.36 C:43 19.88 -6.52 C:38 14.89 -10.79 C:37 16.14 -8.66 C:38 18.64 -8.66 C:40 18.64 -7.24 32 1 -2 33 2 -2 34 3 -1 4 26 1 27 5 -1 30 6 -1 30 7 -2 31 8 -1 35 9 -1 36 10 -1 37 11 -1 38 12 -2 13 26 2 14 15 1 14 30 1 15 31 1 16 19 1 16 31 1 17 18 1 17 32 1 18 35 1 19 37 1 20 21 1 20 36 1 21 38 1 22 29 1 22 33 1 23 30 1 23 34 1 24 26 1 28 24 -2 25 29 2 27 28 1 27 35 1 28 29 1 31 34 1 32 36 1 32 37 1 33 35 1 33 36 1 34 38 1 37 38 1', 'C32H52O3', 484.364, 'C', 'A-377', 1768, '', '', '3', 1, NULL, NULL),
(4014, '2a 3a-diacetoxyfriedelane', '2a,3a-Diacetoxy-D:A-friedo-oleanane', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@:8]24[CH2:7][CH2:6][C@:5]1([CH3:24])[C@@H:4]([CH3:23])[C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]1([H])[C@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@]24CC[C@]1(C)[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]1([H])[C@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(C)CC[C@]3(C)CC[C@]45C', '[H][C@:53]24[CH2:18][CH2:41][C@:38]1([CH3:14])[C@@H:44]([CH3:9])[C@H:74](O[C:9999]([CH3:9999])=O)[C@H:70](O[C:9999]([CH3:9999])=O)[CH2:25][C@@:52]1([H])[C@:36]2([CH3:18])[CH2:35][CH2:30][C@@:40]5([CH3:20])[C@:43]3([H])[CH2:35][C@:28]([CH3:35])([CH3:32])[CH2:33][CH2:39][C@:30]3([CH3:32])[CH2:36][CH2:32][C@:38]45[CH3:18]', '41 45 H 17.38 -8.34 H 19.88 -7.67 H 14.89 -8.34 C:2002 10.05 -6.52 C:3002 8.79 -11.48 C:23 13.66 -12.94 C:29 21.91 -3.17 C:30 20.22 -3.22 C:28 21.09 -5.80 C:24 14.89 -12.24 C:25 16.14 -10.08 C:26 18.69 -10.08 C:27 18.64 -5.80 O 12.47 -6.56 O 10.01 -9.39 C:21 22.34 -5.08 C:22 22.34 -6.52 C:16 21.09 -8.66 C:7 17.38 -10.79 C:6 16.14 -11.51 C:15 19.88 -9.36 C:11 16.14 -7.24 C:12 17.38 -6.52 C:1 13.66 -8.66 C:19 19.88 -5.08 O 11.23 -8.64 O 11.22 -11.49 C:2001 11.25 -7.24 C:3001 10.01 -10.79 C:2 12.44 -9.36 C:3 12.44 -10.79 C:4 13.66 -11.51 C:20 21.09 -4.37 C:17 21.09 -7.24 C:8 17.38 -9.36 C:18 19.88 -6.52 C:10 14.89 -9.36 C:5 14.89 -10.79 C:9 16.14 -8.66 C:14 18.64 -8.66 C:13 18.64 -7.24 35 1 -2 36 2 -1 37 3 -2 4 28 1 5 29 1 32 6 -1 33 7 -2 33 8 -1 34 9 -1 38 10 -1 39 11 -1 40 12 -1 41 13 -2 14 28 2 15 29 2 16 17 1 16 33 1 17 34 1 18 21 1 18 34 1 19 20 1 19 35 1 20 38 1 21 40 1 22 23 1 22 39 1 23 41 1 24 30 1 24 37 1 25 33 1 25 36 1 26 28 1 30 26 -2 27 29 1 31 27 -2 30 31 1 31 32 1 32 38 1 34 36 1 35 39 1 35 40 1 36 41 1 37 38 1 37 39 1 40 41 1', '41 45 H 17.38 -8.34 H 19.88 -7.67 H 14.89 -8.34 C 10.05 -6.52 C 8.79 -11.48 C 13.66 -12.94 C 21.91 -3.17 C 20.22 -3.22 C 21.09 -5.80 C 14.89 -12.24 C 16.14 -10.08 C 18.69 -10.08 C 18.64 -5.80 O 12.47 -6.56 O 10.01 -9.39 C 22.34 -5.08 C 22.34 -6.52 C 21.09 -8.66 C 17.38 -10.79 C 16.14 -11.51 C 19.88 -9.36 C 16.14 -7.24 C 17.38 -6.52 C 13.66 -8.66 C 19.88 -5.08 O 11.23 -8.64 O 11.22 -11.49 C 11.25 -7.24 C 10.01 -10.79 C 12.44 -9.36 C 12.44 -10.79 C 13.66 -11.51 C 21.09 -4.37 C 21.09 -7.24 C 17.38 -9.36 C 19.88 -6.52 C 14.89 -9.36 C 14.89 -10.79 C 16.14 -8.66 C 18.64 -8.66 C 18.64 -7.24 35 1 -2 36 2 -1 37 3 -2 4 28 1 5 29 1 32 6 -1 33 7 -2 33 8 -1 34 9 -1 38 10 -1 39 11 -1 40 12 -1 41 13 -2 14 28 2 15 29 2 16 17 1 16 33 1 17 34 1 18 21 1 18 34 1 19 20 1 19 35 1 20 38 1 21 40 1 22 23 1 22 39 1 23 41 1 24 30 1 24 37 1 25 33 1 25 36 1 26 28 1 30 26 -2 27 29 1 31 27 -2 30 31 1 31 32 1 32 38 1 34 36 1 35 39 1 35 40 1 36 41 1 37 38 1 37 39 1 40 41 1', '41 45 H 17.38 -8.34 H 19.88 -7.67 H 14.89 -8.34 C 10.05 -6.52 C 8.79 -11.48 C:9 13.66 -12.94 C:32 21.91 -3.17 C:35 20.22 -3.22 C:32 21.09 -5.80 C:14 14.89 -12.24 C:18 16.14 -10.08 C:18 18.69 -10.08 C:20 18.64 -5.80 O 12.47 -6.56 O 10.01 -9.39 C:33 22.34 -5.08 C:39 22.34 -6.52 C:36 21.09 -8.66 C:18 17.38 -10.79 C:41 16.14 -11.51 C:32 19.88 -9.36 C:35 16.14 -7.24 C:30 17.38 -6.52 C:25 13.66 -8.66 C:35 19.88 -5.08 O 11.23 -8.64 O 11.22 -11.49 C 11.25 -7.24 C 10.01 -10.79 C:70 12.44 -9.36 C:74 12.44 -10.79 C:44 13.66 -11.51 C:28 21.09 -4.37 C:30 21.09 -7.24 C:53 17.38 -9.36 C:43 19.88 -6.52 C:52 14.89 -9.36 C:38 14.89 -10.79 C:36 16.14 -8.66 C:38 18.64 -8.66 C:40 18.64 -7.24 35 1 -2 36 2 -1 37 3 -2 4 28 1 5 29 1 32 6 -1 33 7 -2 33 8 -1 34 9 -1 38 10 -1 39 11 -1 40 12 -1 41 13 -2 14 28 2 15 29 2 16 17 1 16 33 1 17 34 1 18 21 1 18 34 1 19 20 1 19 35 1 20 38 1 21 40 1 22 23 1 22 39 1 23 41 1 24 30 1 24 37 1 25 33 1 25 36 1 26 28 1 30 26 -2 27 29 1 31 27 -2 30 31 1 31 32 1 32 38 1 34 36 1 35 39 1 35 40 1 36 41 1 37 38 1 37 39 1 40 41 1', 'C34H56O4', 528.385, 'C', 'A-378', 1768, '', '', '3', 1, NULL, NULL),
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(4024, 'Maytenonic acid', '29-Acetoxy-D:A-friedo-olean-3-one ', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH2:1][CH2:2][C:3](=O)[C@H:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][CH2:7][C@@:8]4([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH2:29]O[C:29001]([CH3:29002])=O)[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26]', '[H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]4([H])[C@@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(COC(C)=O)CC[C@]3(C)CC[C@]45C', '[H][C@@:60]12[CH2:22][CH2:42][C:213](=O)[C@H:58]([CH3:7])[C@@:42]1([CH3:15])[CH2:41][CH2:18][C@@:54]4([H])[C@@:38]2([CH3:18])[CH2:36][CH2:31][C@@:38]5([CH3:21])[C@:42]3([H])[CH2:30][C@:32]([CH3:26])([CH2:75]O[C:9999]([CH3:9999])=O)[CH2:28][CH2:39][C@:31]3([CH3:32])[CH2:36][CH2:33][C@:40]45[CH3:19]', '38 42 H 16.36 -8.84 H 11.41 -9.52 H 13.89 -9.52 C:23 10.18 -14.13 C:29 18.40 -4.35 C:30 16.71 -4.40 C:28 17.59 -6.98 C:24 11.41 -13.42 C:25 12.65 -11.27 C:27 15.12 -6.98 C:26 15.17 -11.27 O 7.74 -12.69 C:2 8.95 -10.55 C:21 18.83 -6.26 C:22 18.83 -7.70 C:16 17.59 -9.84 C:1 10.18 -9.84 C:7 13.89 -11.98 C:6 12.65 -12.70 C:15 16.36 -10.55 C:11 12.65 -8.41 C:12 13.89 -7.70 C:19 16.36 -6.26 C:3 8.95 -11.98 C:4 10.18 -12.70 C:20 17.59 -5.55 C:17 17.59 -8.41 C:18 16.36 -7.70 C:10 11.41 -10.55 C:8 13.89 -10.55 C:5 11.41 -11.98 C:9 12.65 -9.84 C:13 15.12 -8.41 C:14 15.12 -9.84 O 19.80 -4.44 C:29001 20.57 -3.28 C:29002 21.96 -3.37 O 19.95 -2.02 28 1 -1 29 2 -2 30 3 -2 25 4 -1 26 5 -2 26 6 -1 27 7 -1 31 8 -1 32 9 -1 33 10 -2 34 11 -1 12 24 2 13 17 1 13 24 1 14 15 1 14 26 1 15 27 1 16 20 1 16 27 1 17 29 1 18 19 1 18 30 1 19 31 1 20 34 1 21 22 1 21 32 1 22 33 1 23 26 1 23 28 1 24 25 1 25 31 1 27 28 1 28 33 1 29 31 1 29 32 1 30 32 1 30 34 1 33 34 1 5 35 1 35 36 1 36 37 1 36 38 2', '38 42 H 16.36 -8.84 H 11.41 -9.52 H 13.89 -9.52 C 10.18 -14.13 C 18.40 -4.35 C 16.71 -4.40 C 17.59 -6.98 C 11.41 -13.42 C 12.65 -11.27 C 15.12 -6.98 C 15.17 -11.27 O 7.74 -12.69 C 8.95 -10.55 C 18.83 -6.26 C 18.83 -7.70 C 17.59 -9.84 C 10.18 -9.84 C 13.89 -11.98 C 12.65 -12.70 C 16.36 -10.55 C 12.65 -8.41 C 13.89 -7.70 C 16.36 -6.26 C 8.95 -11.98 C 10.18 -12.70 C 17.59 -5.55 C 17.59 -8.41 C 16.36 -7.70 C 11.41 -10.55 C 13.89 -10.55 C 11.41 -11.98 C 12.65 -9.84 C 15.12 -8.41 C 15.12 -9.84 O 19.80 -4.44 C 20.57 -3.28 C 21.96 -3.37 O 19.95 -2.02 28 1 -1 29 2 -2 30 3 -2 25 4 -1 26 5 -2 26 6 -1 27 7 -1 31 8 -1 32 9 -1 33 10 -2 34 11 -1 12 24 2 13 17 1 13 24 1 14 15 1 14 26 1 15 27 1 16 20 1 16 27 1 17 29 1 18 19 1 18 30 1 19 31 1 20 34 1 21 22 1 21 32 1 22 33 1 23 26 1 23 28 1 24 25 1 25 31 1 27 28 1 28 33 1 29 31 1 29 32 1 30 32 1 30 34 1 33 34 1 5 35 1 35 36 1 36 37 1 36 38 2', '38 42 H 16.36 -8.84 H 11.41 -9.52 H 13.89 -9.52 C:7 10.18 -14.13 C:75 18.40 -4.35 C:26 16.71 -4.40 C:32 17.59 -6.98 C:15 11.41 -13.42 C:18 12.65 -11.27 C:21 15.12 -6.98 C:19 15.17 -11.27 O 7.74 -12.69 C:42 8.95 -10.55 C:28 18.83 -6.26 C:39 18.83 -7.70 C:36 17.59 -9.84 C:22 10.18 -9.84 C:18 13.89 -11.98 C:41 12.65 -12.70 C:33 16.36 -10.55 C:36 12.65 -8.41 C:31 13.89 -7.70 C:30 16.36 -6.26 C:213 8.95 -11.98 C:58 10.18 -12.70 C:32 17.59 -5.55 C:31 17.59 -8.41 C:42 16.36 -7.70 C:60 11.41 -10.55 C:54 13.89 -10.55 C:42 11.41 -11.98 C:38 12.65 -9.84 C:38 15.12 -8.41 C:40 15.12 -9.84 O 19.80 -4.44 C 20.57 -3.28 C 21.96 -3.37 O 19.95 -2.02 28 1 -1 29 2 -2 30 3 -2 25 4 -1 26 5 -2 26 6 -1 27 7 -1 31 8 -1 32 9 -1 33 10 -2 34 11 -1 12 24 2 13 17 1 13 24 1 14 15 1 14 26 1 15 27 1 16 20 1 16 27 1 17 29 1 18 19 1 18 30 1 19 31 1 20 34 1 21 22 1 21 32 1 22 33 1 23 26 1 23 28 1 24 25 1 25 31 1 27 28 1 28 33 1 29 31 1 29 32 1 30 32 1 30 34 1 33 34 1 5 35 1 35 36 1 36 37 1 36 38 2', 'C32H52O3', 484.364, 'C', 'A-395', 739, '213 no aparece en la publi original', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(4025, '', 'acid Methyl-D:A-friedo-olean-3-on-29-oate ', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:18]14[CH2:19][C@:20]([CH3:30])([C:29](=O)O[CH3:29001])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]5([CH3:26])[C@@:8]3([H])[CH2:7][CH2:6][C@:5]2([CH3:24])[C@@H:4]([CH3:23])[C:3](=O)[CH2:2][CH2:1][C@@:10]2([H])[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]45[CH3:27]', '[H][C@@]14C[C@](C)(C(=O)OC)CC[C@]1(C)CC[C@]5(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C(=O)CC[C@@]2([H])[C@]3(C)CC[C@@]45C', '[H][C@@:45]14[CH2:29][C@:41]([CH3:32])([C:179](=O)O[CH3:9999])[CH2:30][CH2:37][C@:30]1([CH3:32])[CH2:36][CH2:30][C@:39]5([CH3:19])[C@@:50]3([H])[CH2:18][CH2:41][C@:42]2([CH3:15])[C@@H:58]([CH3:7])[C:213](=O)[CH2:42][CH2:22][C@@:60]2([H])[C@:38]3([CH3:18])[CH2:35][CH2:31][C@@:39]45[CH3:16]', '37 41 H 12.09 -8.96 H 14.57 -8.96 H 17.03 -8.28 C:23 10.86 -13.57 C:30 17.38 -3.84 C:28 18.26 -6.42 C:24 12.09 -12.86 C:25 13.33 -10.71 C:26 15.84 -10.71 C:27 15.79 -6.42 O 8.42 -12.13 C:2 9.63 -9.99 C:1 10.86 -9.28 C:21 19.50 -5.70 C:22 19.50 -7.14 C:16 18.26 -9.28 C:7 14.57 -11.42 C:6 13.33 -12.14 C:15 17.03 -9.99 C:11 13.33 -7.85 C:12 14.57 -7.14 C:29 19.07 -3.79 C:19 17.03 -5.70 C:3 9.63 -11.42 C:4 10.86 -12.14 C:20 18.26 -4.99 C:17 18.26 -7.85 C:10 12.09 -9.99 C:8 14.57 -9.99 C:18 17.03 -7.14 C:5 12.09 -11.42 C:9 13.33 -9.28 C:14 15.79 -9.28 C:13 15.79 -7.85 O 20.47 -3.89 O 18.50 -2.52 C:29001 21.25 -2.73 28 1 -2 29 2 -2 30 3 -1 25 4 -1 26 5 -1 27 6 -1 31 7 -1 32 8 -1 33 9 -1 34 10 -2 11 24 2 12 13 1 12 24 1 13 28 1 14 15 1 14 26 1 15 27 1 16 19 1 16 27 1 17 18 1 17 29 1 18 31 1 19 33 1 20 21 1 20 32 1 21 34 1 26 22 -2 23 26 1 23 30 1 24 25 1 25 31 1 27 30 1 28 31 1 28 32 1 29 32 1 29 33 1 30 34 1 33 34 1 22 35 1 22 36 2 35 37 1', '37 41 H 12.09 -8.96 H 14.57 -8.96 H 17.03 -8.28 C 10.86 -13.57 C 17.38 -3.84 C 18.26 -6.42 C 12.09 -12.86 C 13.33 -10.71 C 15.84 -10.71 C 15.79 -6.42 O 8.42 -12.13 C 9.63 -9.99 C 10.86 -9.28 C 19.50 -5.70 C 19.50 -7.14 C 18.26 -9.28 C 14.57 -11.42 C 13.33 -12.14 C 17.03 -9.99 C 13.33 -7.85 C 14.57 -7.14 C 19.07 -3.79 C 17.03 -5.70 C 9.63 -11.42 C 10.86 -12.14 C 18.26 -4.99 C 18.26 -7.85 C 12.09 -9.99 C 14.57 -9.99 C 17.03 -7.14 C 12.09 -11.42 C 13.33 -9.28 C 15.79 -9.28 C 15.79 -7.85 O 20.47 -3.89 O 18.50 -2.52 C 21.25 -2.73 28 1 -2 29 2 -2 30 3 -1 25 4 -1 26 5 -1 27 6 -1 31 7 -1 32 8 -1 33 9 -1 34 10 -2 11 24 2 12 13 1 12 24 1 13 28 1 14 15 1 14 26 1 15 27 1 16 19 1 16 27 1 17 18 1 17 29 1 18 31 1 19 33 1 20 21 1 20 32 1 21 34 1 26 22 -2 23 26 1 23 30 1 24 25 1 25 31 1 27 30 1 28 31 1 28 32 1 29 32 1 29 33 1 30 34 1 33 34 1 22 35 1 22 36 2 35 37 1', '37 41 H 12.09 -8.96 H 14.57 -8.96 H 17.03 -8.28 C:7 10.86 -13.57 C:32 17.38 -3.84 C:32 18.26 -6.42 C:15 12.09 -12.86 C:18 13.33 -10.71 C:19 15.84 -10.71 C:16 15.79 -6.42 O 8.42 -12.13 C:42 9.63 -9.99 C:22 10.86 -9.28 C:30 19.50 -5.70 C:37 19.50 -7.14 C:36 18.26 -9.28 C:18 14.57 -11.42 C:41 13.33 -12.14 C:30 17.03 -9.99 C:35 13.33 -7.85 C:31 14.57 -7.14 C:179 19.07 -3.79 C:29 17.03 -5.70 C:213 9.63 -11.42 C:58 10.86 -12.14 C:41 18.26 -4.99 C:30 18.26 -7.85 C:60 12.09 -9.99 C:50 14.57 -9.99 C:45 17.03 -7.14 C:42 12.09 -11.42 C:38 13.33 -9.28 C:39 15.79 -9.28 C:39 15.79 -7.85 O 20.47 -3.89 O 18.50 -2.52 C 21.25 -2.73 28 1 -2 29 2 -2 30 3 -1 25 4 -1 26 5 -1 27 6 -1 31 7 -1 32 8 -1 33 9 -1 34 10 -2 11 24 2 12 13 1 12 24 1 13 28 1 14 15 1 14 26 1 15 27 1 16 19 1 16 27 1 17 18 1 17 29 1 18 31 1 19 33 1 20 21 1 20 32 1 21 34 1 26 22 -2 23 26 1 23 30 1 24 25 1 25 31 1 27 30 1 28 31 1 28 32 1 29 32 1 29 33 1 30 34 1 33 34 1 22 35 1 22 36 2 35 37 1', 'C31H50O3', 470.354, 'C', 'A-397', 1848, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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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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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(4097, 'purpurin', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[H][C@@:7001]45O[c:7]3[cH:6][cH:5][c:10]2[C:4](=O)[CH2:3][C@@H:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)O[c:9]2[c:8]3[C@:8001]4([H])[C@@H:8002](O[C:8006]([CH3:8007])=O)[C:8003]([CH3:8004])([CH3:8005])O5', '[H][C@@]45Oc3ccc2C(=O)C[C@@H](c1ccccc1)Oc2c3[C@]4([H])[C@@H](OC(C)=O)C(C)(C)O5', '[H][C@@:88]45O[c:165]3[cH:112][cH:129][c:116]2[C:190](=O)[CH2:45][C@@H:80]([c:139]1[cH:126][cH:129][cH:130][cH:129][cH:126]1)O[c:158]2[c:113]3[C@:80]4([H])[C@@H:52](O[C:170]([CH3:21])=O)[C:105]([CH3:28])([CH3:23])O5', '31 35 C:8007 12.10 -4.31 C:8005 11.39 -5.36 C:8004 9.09 -5.10 O 14.45 -5.08 O 13.39 -14.01 C:104 18.35 -8.30 C:103 17.11 -7.58 C:105 18.35 -9.73 C:102 15.88 -8.30 C:106 17.11 -10.45 C:6 9.67 -11.87 C:5 10.92 -12.58 C:3 14.62 -11.87 O 12.61 -6.74 O 8.62 -9.49 O 13.39 -9.73 O 8.92 -6.79 C:8006 13.05 -5.38 C:4 13.39 -12.58 C:101 15.88 -9.73 C:7 9.67 -10.45 C:10 12.15 -11.87 C:9 12.15 -10.45 C:8 10.92 -9.73 C:2 14.62 -10.45 C:7001 9.20 -8.18 C:8002 11.21 -7.03 C:8001 10.62 -8.34 C:8003 10.15 -6.07 H 11.62 -8.42 H 8.36 -8.13 1 18 1 2 29 1 3 29 1 4 18 2 5 19 2 6 7 1 6 8 2 7 9 2 8 10 1 9 20 1 10 20 2 11 12 1 11 21 2 12 22 2 13 19 1 13 25 1 14 18 1 27 14 -2 15 21 1 15 26 1 16 23 1 16 25 1 26 17 -1 17 29 1 19 22 1 25 20 -2 21 24 1 22 23 1 23 24 2 24 28 1 26 28 1 28 27 -1 27 29 1 28 30 -2 26 31 -2', '31 35 C 12.10 -4.31 C 11.39 -5.36 C 9.09 -5.10 O 14.45 -5.08 O 13.39 -14.01 C 18.35 -8.30 C 17.11 -7.58 C 18.35 -9.73 C 15.88 -8.30 C 17.11 -10.45 C 9.67 -11.87 C 10.92 -12.58 C 14.62 -11.87 O 12.61 -6.74 O 8.62 -9.49 O 13.39 -9.73 O 8.92 -6.79 C 13.05 -5.38 C 13.39 -12.58 C 15.88 -9.73 C 9.67 -10.45 C 12.15 -11.87 C 12.15 -10.45 C 10.92 -9.73 C 14.62 -10.45 C 9.20 -8.18 C 11.21 -7.03 C 10.62 -8.34 C 10.15 -6.07 H 11.62 -8.42 H 8.36 -8.13 1 18 1 2 29 1 3 29 1 4 18 2 5 19 2 6 7 1 6 8 2 7 9 2 8 10 1 9 20 1 10 20 2 11 12 1 11 21 2 12 22 2 13 19 1 13 25 1 14 18 1 27 14 -2 15 21 1 15 26 1 16 23 1 16 25 1 26 17 -1 17 29 1 19 22 1 25 20 -2 21 24 1 22 23 1 23 24 2 24 28 1 26 28 1 28 27 -1 27 29 1 28 30 -2 26 31 -2', '31 35 C:21 12.10 -4.31 C:23 11.39 -5.36 C:28 9.09 -5.10 O 14.45 -5.08 O 13.39 -14.01 C:130 18.35 -8.30 C:129 17.11 -7.58 C:129 18.35 -9.73 C:126 15.88 -8.30 C:126 17.11 -10.45 C:112 9.67 -11.87 C:129 10.92 -12.58 C:45 14.62 -11.87 O 12.61 -6.74 O 8.62 -9.49 O 13.39 -9.73 O 8.92 -6.79 C:170 13.05 -5.38 C:190 13.39 -12.58 C:139 15.88 -9.73 C:165 9.67 -10.45 C:116 12.15 -11.87 C:158 12.15 -10.45 C:113 10.92 -9.73 C:80 14.62 -10.45 C:88 9.20 -8.18 C:52 11.21 -7.03 C:80 10.62 -8.34 C:105 10.15 -6.07 H 11.62 -8.42 H 8.36 -8.13 1 18 1 2 29 1 3 29 1 4 18 2 5 19 2 6 7 1 6 8 2 7 9 2 8 10 1 9 20 1 10 20 2 11 12 1 11 21 2 12 22 2 13 19 1 13 25 1 14 18 1 27 14 -2 15 21 1 15 26 1 16 23 1 16 25 1 26 17 -1 17 29 1 19 22 1 25 20 -2 21 24 1 22 23 1 23 24 2 24 28 1 26 28 1 28 27 -1 27 29 1 28 30 -2 26 31 -2', 'C23H22O6', 394.258, 'C', 'Fv-3.16', 565, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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
(4139, 'lonchocarpol E', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:8005][C:8003]([CH3:8004])(O)[CH:8002]1[CH2:8001][c:8]4[c:7](O1)[c:6]2[CH2:6001][CH:6002]([C:6003]([CH3:6005])([CH3:6004])O)O[c:5]2[c:10]5[C:4](=O)[CH2:3][CH:2]([c:101]3[cH:102][cH:103][c:104](O)[cH:105][cH:106]3)O[c:9]45', 'CC(C)(O)C1Cc4c(O1)c2CC(C(C)(C)O)Oc2c5C(=O)CC(c3ccc(O)cc3)Oc45', '[CH3:25][C:72]([CH3:27])(O)[CH:92]1[CH2:27][c:112]4[c:171](O1)[c:112]2[CH2:24][CH:88]([C:72]([CH3:27])([CH3:24])O)O[c:171]2[c:104]5[C:196](=O)[CH2:43][CH:79]([c:131]3[cH:128][cH:116][c:161](O)[cH:116][cH:128]3)O[c:156]45', '32 36 C:8005 9.43 -7.01 C:8004 11.53 -5.80 C:6005 11.54 -16.48 C:6004 9.43 -15.28 O 15.63 -13.94 O 21.69 -7.64 O 10.13 -5.80 O 10.14 -16.49 C:103 19.27 -7.64 C:105 20.48 -9.74 C:102 18.06 -8.34 C:106 19.27 -10.44 C:3 16.84 -11.84 C:8001 12.92 -8.37 C:6001 10.96 -12.78 O 15.63 -9.74 O 10.95 -9.50 O 12.92 -13.91 C:4 15.63 -12.54 C:104 20.48 -8.34 C:101 18.06 -9.74 C:8 13.21 -9.74 C:6 11.99 -11.84 C:7 11.99 -10.44 C:9 14.42 -10.44 C:5 13.21 -12.54 C:10 14.42 -11.84 C:2 16.84 -10.44 C:8002 11.53 -8.22 C:6002 11.53 -14.06 C:8003 10.83 -7.01 C:6003 10.83 -15.27 1 31 1 2 31 1 3 32 1 4 32 1 5 19 2 6 20 1 7 31 1 8 32 1 9 11 2 9 20 1 10 12 1 10 20 2 11 21 1 12 21 2 13 19 1 13 28 1 14 22 1 14 29 1 15 23 1 15 30 1 16 25 1 16 28 1 17 24 1 17 29 1 18 26 1 18 30 1 19 27 1 21 28 1 22 24 2 22 25 1 23 24 1 23 26 2 25 27 2 26 27 1 29 31 1 30 32 1', '32 36 C 9.43 -7.01 C 11.53 -5.80 C 11.54 -16.48 C 9.43 -15.28 O 15.63 -13.94 O 21.69 -7.64 O 10.13 -5.80 O 10.14 -16.49 C 19.27 -7.64 C 20.48 -9.74 C 18.06 -8.34 C 19.27 -10.44 C 16.84 -11.84 C 12.92 -8.37 C 10.96 -12.78 O 15.63 -9.74 O 10.95 -9.50 O 12.92 -13.91 C 15.63 -12.54 C 20.48 -8.34 C 18.06 -9.74 C 13.21 -9.74 C 11.99 -11.84 C 11.99 -10.44 C 14.42 -10.44 C 13.21 -12.54 C 14.42 -11.84 C 16.84 -10.44 C 11.53 -8.22 C 11.53 -14.06 C 10.83 -7.01 C 10.83 -15.27 1 31 1 2 31 1 3 32 1 4 32 1 5 19 2 6 20 1 7 31 1 8 32 1 9 11 2 9 20 1 10 12 1 10 20 2 11 21 1 12 21 2 13 19 1 13 28 1 14 22 1 14 29 1 15 23 1 15 30 1 16 25 1 16 28 1 17 24 1 17 29 1 18 26 1 18 30 1 19 27 1 21 28 1 22 24 2 22 25 1 23 24 1 23 26 2 25 27 2 26 27 1 29 31 1 30 32 1', '32 36 C:25 9.43 -7.01 C:27 11.53 -5.80 C:27 11.54 -16.48 C:24 9.43 -15.28 O 15.63 -13.94 O 21.69 -7.64 O 10.13 -5.80 O 10.14 -16.49 C:116 19.27 -7.64 C:116 20.48 -9.74 C:128 18.06 -8.34 C:128 19.27 -10.44 C:43 16.84 -11.84 C:27 12.92 -8.37 C:24 10.96 -12.78 O 15.63 -9.74 O 10.95 -9.50 O 12.92 -13.91 C:196 15.63 -12.54 C:161 20.48 -8.34 C:131 18.06 -9.74 C:112 13.21 -9.74 C:112 11.99 -11.84 C:171 11.99 -10.44 C:156 14.42 -10.44 C:171 13.21 -12.54 C:104 14.42 -11.84 C:79 16.84 -10.44 C:92 11.53 -8.22 C:88 11.53 -14.06 C:72 10.83 -7.01 C:72 10.83 -15.27 1 31 1 2 31 1 3 32 1 4 32 1 5 19 2 6 20 1 7 31 1 8 32 1 9 11 2 9 20 1 10 12 1 10 20 2 11 21 1 12 21 2 13 19 1 13 28 1 14 22 1 14 29 1 15 23 1 15 30 1 16 25 1 16 28 1 17 24 1 17 29 1 18 26 1 18 30 1 19 27 1 21 28 1 22 24 2 22 25 1 23 24 1 23 26 2 25 27 2 26 27 1 29 31 1 30 32 1', 'C25H28O7', 440.263, 'C', 'Fv-3.61', 1932, '', '', '3', 1, NULL, NULL),
(4140, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:102001]O[c:102]1[cH:103][cH:104][cH:105][cH:106][c:101]1[CH:2]3[CH2:3][C:4](=O)[c:10]2[c:5](O)[cH:6][c:7](O)[c:8](O[CH3:8001])[c:9]2O3', 'COc1ccccc1C3CC(=O)c2c(O)cc(O)c(OC)c2O3', '[CH3:60]O[c:156]1[cH:111][cH:130][cH:121][cH:127][c:127]1[CH:74]3[CH2:41][C:197](=O)[c:102]2[c:159](O)[cH:96][c:160](O)[c:129](O[CH3:56])[c:155]2O3', '23 25 O 16.12 -14.73 O 11.27 -10.53 O 13.72 -14.73 C:104 20.97 -9.13 C:105 20.97 -10.53 C:103 19.76 -8.43 C:106 19.76 -11.23 C:102 18.55 -9.13 C:6 12.49 -12.63 C:3 17.33 -12.63 O 16.12 -10.53 C:4 16.12 -13.33 C:7 12.49 -11.23 C:5 13.71 -13.33 C:101 18.55 -10.53 C:8 13.71 -10.53 C:9 14.92 -11.23 C:10 14.92 -12.63 C:2 17.33 -11.23 O 17.34 -8.42 O 13.72 -9.13 C:8001 12.51 -8.42 C:102001 17.34 -7.02 1 12 2 2 13 1 3 14 1 4 5 2 4 6 1 5 7 1 6 8 2 7 15 2 8 15 1 9 13 2 9 14 1 10 12 1 10 19 1 11 17 1 11 19 1 12 18 1 13 16 1 14 18 2 15 19 1 16 17 2 17 18 1 8 20 1 16 21 1 21 22 1 20 23 1', '23 25 O 16.12 -14.73 O 11.27 -10.53 O 13.72 -14.73 C 20.97 -9.13 C 20.97 -10.53 C 19.76 -8.43 C 19.76 -11.23 C 18.55 -9.13 C 12.49 -12.63 C 17.33 -12.63 O 16.12 -10.53 C 16.12 -13.33 C 12.49 -11.23 C 13.71 -13.33 C 18.55 -10.53 C 13.71 -10.53 C 14.92 -11.23 C 14.92 -12.63 C 17.33 -11.23 O 17.34 -8.42 O 13.72 -9.13 C 12.51 -8.42 C 17.34 -7.02 1 12 2 2 13 1 3 14 1 4 5 2 4 6 1 5 7 1 6 8 2 7 15 2 8 15 1 9 13 2 9 14 1 10 12 1 10 19 1 11 17 1 11 19 1 12 18 1 13 16 1 14 18 2 15 19 1 16 17 2 17 18 1 8 20 1 16 21 1 21 22 1 20 23 1', '23 25 O 16.12 -14.73 O 11.27 -10.53 O 13.72 -14.73 C:130 20.97 -9.13 C:121 20.97 -10.53 C:111 19.76 -8.43 C:127 19.76 -11.23 C:156 18.55 -9.13 C:96 12.49 -12.63 C:41 17.33 -12.63 O 16.12 -10.53 C:197 16.12 -13.33 C:160 12.49 -11.23 C:159 13.71 -13.33 C:127 18.55 -10.53 C:129 13.71 -10.53 C:155 14.92 -11.23 C:102 14.92 -12.63 C:74 17.33 -11.23 O 17.34 -8.42 O 13.72 -9.13 C:56 12.51 -8.42 C:60 17.34 -7.02 1 12 2 2 13 1 3 14 1 4 5 2 4 6 1 5 7 1 6 8 2 7 15 2 8 15 1 9 13 2 9 14 1 10 12 1 10 19 1 11 17 1 11 19 1 12 18 1 13 16 1 14 18 2 15 19 1 16 17 2 17 18 1 8 20 1 16 21 1 21 22 1 20 23 1', 'C17H16O6', 316.178, 'D', 'Fv-3.62', 2274, '', '', '3', 1, NULL, NULL),
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