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
(1951, 'Isoastragaloside II', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]46[CH2:7][C@H:6](O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[C@@:5]3([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C@@H:101]2O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]2O[C:102001]([CH3:102002])=O)[CH2:2][CH2:1][C@@:10]35[CH2:19][C@@:9]45[CH2:11][CH2:12][C@:13]7([CH3:18])[C@@H:17]([C@H:20]([CH3:21])[CH2:22][CH2:23][C@H:24](O)[C:25]([CH3:26])([CH3:27])O)[C@@H:16](O)[CH2:15][C@@:14]67[CH3:30]', '[H][C@@]46C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]3([H])[C@](C)(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@@]35C[C@@]45CC[C@]7(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@H](O)C[C@@]67C', '[H][C@@:46]46[CH2:35][C@H:79](O[C@@H:105]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]1O)[C@@:53]3([H])[C@:42]([CH3:17])([CH3:28])[C@@H:89](O[C@@H:105]2O[CH2:61][C@@H:72](O)[C@H:76](O)[C@H:76]2O[C:170]([CH3:21])=O)[CH2:30][CH2:32][C@@:29]35[CH2:29][C@@:22]45[CH2:26][CH2:33][C@:46]7([CH3:19])[C@@H:57]([C@H:29]([CH3:19])[CH2:33][CH2:28][C@H:77](O)[C:73]([CH3:26])([CH3:27])O)[C@@H:72](O)[CH2:48][C@@:47]67[CH3:20]', '60 66 H 16.45 -8.52 H 14.00 -12.40 C:102002 6.72 -15.39 C:21 18.21 -5.26 C:27 24.08 -7.80 C:26 25.64 -5.98 C:28 13.59 -13.06 C:29 12.02 -13.09 C:18 17.71 -6.20 C:30 17.71 -10.41 O 5.52 -13.30 O 16.65 -18.09 O 5.51 -9.11 O 21.28 -8.34 O 23.35 -4.19 O 20.12 -13.10 O 20.22 -15.89 O 17.66 -11.79 O 5.53 -11.90 O 25.43 -7.25 C:206 17.84 -17.36 C:22 20.78 -5.29 C:23 21.90 -6.13 C:2 11.55 -9.72 C:105 7.92 -9.10 C:1 12.76 -9.02 C:12 16.45 -6.90 C:11 15.24 -7.62 C:15 19.02 -9.44 C:7 16.45 -11.17 C:19 14.02 -8.32 O 9.12 -9.79 O 7.95 -13.28 O 16.52 -15.33 O 10.35 -11.87 O 15.28 -13.27 C:102001 6.74 -13.99 C:20 19.49 -5.84 C:104 6.72 -9.80 C:16 19.88 -8.32 C:24 23.19 -5.58 C:203 18.93 -13.85 C:204 18.93 -15.24 C:202 17.70 -13.19 C:103 6.73 -11.20 C:205 17.80 -15.97 C:201 16.51 -13.93 C:101 9.13 -11.19 C:3 11.55 -11.17 C:6 15.24 -11.88 C:102 7.94 -11.89 C:17 19.02 -7.17 C:25 24.31 -6.41 C:4 12.76 -11.88 C:8 16.45 -9.72 C:13 17.68 -7.62 C:14 17.68 -9.02 C:5 14.00 -11.17 C:9 15.24 -9.02 C:10 14.00 -9.72 55 1 -1 58 2 -2 3 37 1 38 4 -2 5 53 1 6 53 1 54 7 -2 54 8 -1 56 9 -1 57 10 -2 11 37 2 12 21 1 39 13 -2 40 14 -1 41 15 -2 42 16 -1 43 17 -2 44 18 -2 45 19 -1 20 53 1 46 21 -1 22 23 1 22 38 1 23 41 1 24 26 1 24 49 1 25 32 1 25 39 1 26 60 1 27 28 1 27 56 1 28 59 1 29 40 1 29 57 1 30 50 1 30 55 1 59 31 -1 60 31 -1 32 48 1 33 37 1 51 33 -2 34 46 1 34 47 1 48 35 -1 49 35 -1 47 36 -1 50 36 -2 52 38 -1 39 45 1 40 52 1 41 53 1 42 43 1 42 44 1 43 46 1 44 47 1 45 51 1 48 51 1 49 54 1 50 58 1 52 56 1 54 58 1 55 57 1 55 59 1 56 57 1 58 60 1 59 60 1', '60 66 H 16.45 -8.52 H 14.00 -12.40 C 6.72 -15.39 C 18.21 -5.26 C 24.08 -7.80 C 25.64 -5.98 C 13.59 -13.06 C 12.02 -13.09 C 17.71 -6.20 C 17.71 -10.41 O 5.52 -13.30 O 16.65 -18.09 O 5.51 -9.11 O 21.28 -8.34 O 23.35 -4.19 O 20.12 -13.10 O 20.22 -15.89 O 17.66 -11.79 O 5.53 -11.90 O 25.43 -7.25 C 17.84 -17.36 C 20.78 -5.29 C 21.90 -6.13 C 11.55 -9.72 C 7.92 -9.10 C 12.76 -9.02 C 16.45 -6.90 C 15.24 -7.62 C 19.02 -9.44 C 16.45 -11.17 C 14.02 -8.32 O 9.12 -9.79 O 7.95 -13.28 O 16.52 -15.33 O 10.35 -11.87 O 15.28 -13.27 C 6.74 -13.99 C 19.49 -5.84 C 6.72 -9.80 C 19.88 -8.32 C 23.19 -5.58 C 18.93 -13.85 C 18.93 -15.24 C 17.70 -13.19 C 6.73 -11.20 C 17.80 -15.97 C 16.51 -13.93 C 9.13 -11.19 C 11.55 -11.17 C 15.24 -11.88 C 7.94 -11.89 C 19.02 -7.17 C 24.31 -6.41 C 12.76 -11.88 C 16.45 -9.72 C 17.68 -7.62 C 17.68 -9.02 C 14.00 -11.17 C 15.24 -9.02 C 14.00 -9.72 55 1 -1 58 2 -2 3 37 1 38 4 -2 5 53 1 6 53 1 54 7 -2 54 8 -1 56 9 -1 57 10 -2 11 37 2 12 21 1 39 13 -2 40 14 -1 41 15 -2 42 16 -1 43 17 -2 44 18 -2 45 19 -1 20 53 1 46 21 -1 22 23 1 22 38 1 23 41 1 24 26 1 24 49 1 25 32 1 25 39 1 26 60 1 27 28 1 27 56 1 28 59 1 29 40 1 29 57 1 30 50 1 30 55 1 59 31 -1 60 31 -1 32 48 1 33 37 1 51 33 -2 34 46 1 34 47 1 48 35 -1 49 35 -1 47 36 -1 50 36 -2 52 38 -1 39 45 1 40 52 1 41 53 1 42 43 1 42 44 1 43 46 1 44 47 1 45 51 1 48 51 1 49 54 1 50 58 1 52 56 1 54 58 1 55 57 1 55 59 1 56 57 1 58 60 1 59 60 1', '60 66 H 16.45 -8.52 H 14.00 -12.40 C:21 6.72 -15.39 C:19 18.21 -5.26 C:27 24.08 -7.80 C:26 25.64 -5.98 C:28 13.59 -13.06 C:17 12.02 -13.09 C:19 17.71 -6.20 C:20 17.71 -10.41 O 5.52 -13.30 O 16.65 -18.09 O 5.51 -9.11 O 21.28 -8.34 O 23.35 -4.19 O 20.12 -13.10 O 20.22 -15.89 O 17.66 -11.79 O 5.53 -11.90 O 25.43 -7.25 C:63 17.84 -17.36 C:33 20.78 -5.29 C:28 21.90 -6.13 C:30 11.55 -9.72 C:61 7.92 -9.10 C:32 12.76 -9.02 C:33 16.45 -6.90 C:26 15.24 -7.62 C:48 19.02 -9.44 C:35 16.45 -11.17 C:29 14.02 -8.32 O 9.12 -9.79 O 7.95 -13.28 O 16.52 -15.33 O 10.35 -11.87 O 15.28 -13.27 C:170 6.74 -13.99 C:29 19.49 -5.84 C:72 6.72 -9.80 C:72 19.88 -8.32 C:77 23.19 -5.58 C:79 18.93 -13.85 C:72 18.93 -15.24 C:76 17.70 -13.19 C:76 6.73 -11.20 C:78 17.80 -15.97 C:105 16.51 -13.93 C:105 9.13 -11.19 C:89 11.55 -11.17 C:79 15.24 -11.88 C:76 7.94 -11.89 C:57 19.02 -7.17 C:73 24.31 -6.41 C:42 12.76 -11.88 C:46 16.45 -9.72 C:46 17.68 -7.62 C:47 17.68 -9.02 C:53 14.00 -11.17 C:22 15.24 -9.02 C:29 14.00 -9.72 55 1 -1 58 2 -2 3 37 1 38 4 -2 5 53 1 6 53 1 54 7 -2 54 8 -1 56 9 -1 57 10 -2 11 37 2 12 21 1 39 13 -2 40 14 -1 41 15 -2 42 16 -1 43 17 -2 44 18 -2 45 19 -1 20 53 1 46 21 -1 22 23 1 22 38 1 23 41 1 24 26 1 24 49 1 25 32 1 25 39 1 26 60 1 27 28 1 27 56 1 28 59 1 29 40 1 29 57 1 30 50 1 30 55 1 59 31 -1 60 31 -1 32 48 1 33 37 1 51 33 -2 34 46 1 34 47 1 48 35 -1 49 35 -1 47 36 -1 50 36 -2 52 38 -1 39 45 1 40 52 1 41 53 1 42 43 1 42 44 1 43 46 1 44 47 1 45 51 1 48 51 1 49 54 1 50 58 1 52 56 1 54 58 1 55 57 1 55 59 1 56 57 1 58 60 1 59 60 1', 'C43H72O15', 828.467, 'P', 'ph_37_1403_4', 884, '', '', '1', 1, NULL, NULL),
(1952, 'Cyclocanthogenin', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]24[CH2:7][C@H:6](O)[C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]5([CH3:18])[C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][C@H:24](O)[C:25]([CH3:27])([CH3:26])O)[C@H:16](O)[CH2:15][C@@:14]45[CH3:30]', '[H][C@@]24C[C@H](O)[C@@]1([H])[C@@](C)(C)[C@@H](O)CC[C@@]13C[C@@]23CC[C@]5(C)[C@]([H])([C@H](C)CC[C@H](O)C(C)(C)O)[C@H](O)C[C@@]45C', '[H][C@@:47]24[CH2:39][C@H:68](O)[C@@:54]1([H])[C@@:42]([CH3:29])([CH3:16])[C@@H:78](O)[CH2:31][CH2:33][C@@:30]13[CH2:29][C@@:21]23[CH2:26][CH2:33][C@:46]5([CH3:18])[C@:51]([H])([C@H:29]([CH3:19])[CH2:33][CH2:28][C@H:77](O)[C:73]([CH3:27])([CH3:25])O)[C@H:72](O)[CH2:48][C@@:47]45[CH3:20]', '38 42 H 14.04 -10.65 H 16.47 -10.18 H 11.59 -14.54 C:21 16.14 -6.89 C:26 23.22 -9.17 C:27 21.36 -10.83 C:29 9.60 -15.24 C:28 11.17 -15.20 C:18 15.31 -8.32 C:30 15.31 -12.55 O 21.29 -7.09 O 7.91 -14.02 O 18.88 -10.46 O 12.86 -15.42 O 22.74 -10.50 C:22 18.49 -7.65 C:23 19.45 -8.72 C:2 9.11 -11.85 C:1 10.34 -11.15 C:12 14.04 -9.01 C:11 12.83 -9.73 C:7 14.04 -13.30 C:15 16.62 -11.57 C:19 11.61 -10.44 C:20 17.08 -7.96 C:24 20.85 -8.42 C:3 9.11 -13.30 C:16 17.48 -10.44 C:6 12.83 -14.02 C:25 21.80 -9.46 C:4 10.34 -14.02 C:8 14.04 -11.85 C:17 16.62 -9.29 C:13 15.28 -9.73 C:14 15.28 -11.15 C:5 11.59 -13.30 C:9 12.83 -11.15 C:10 11.59 -11.85 32 1 -1 33 2 -1 36 3 -2 25 4 -2 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 35 10 -2 26 11 -2 27 12 -1 28 13 -2 29 14 -2 15 30 1 16 17 1 16 25 1 17 26 1 18 19 1 18 27 1 19 38 1 20 21 1 20 34 1 21 37 1 22 29 1 22 32 1 23 28 1 23 35 1 37 24 -1 38 24 -1 25 33 1 26 30 1 27 31 1 28 33 1 29 36 1 31 36 1 32 35 1 32 37 1 33 34 1 34 35 1 36 38 1 37 38 1', '38 42 H 14.04 -10.65 H 16.47 -10.18 H 11.59 -14.54 C 16.14 -6.89 C 23.22 -9.17 C 21.36 -10.83 C 9.60 -15.24 C 11.17 -15.20 C 15.31 -8.32 C 15.31 -12.55 O 21.29 -7.09 O 7.91 -14.02 O 18.88 -10.46 O 12.86 -15.42 O 22.74 -10.50 C 18.49 -7.65 C 19.45 -8.72 C 9.11 -11.85 C 10.34 -11.15 C 14.04 -9.01 C 12.83 -9.73 C 14.04 -13.30 C 16.62 -11.57 C 11.61 -10.44 C 17.08 -7.96 C 20.85 -8.42 C 9.11 -13.30 C 17.48 -10.44 C 12.83 -14.02 C 21.80 -9.46 C 10.34 -14.02 C 14.04 -11.85 C 16.62 -9.29 C 15.28 -9.73 C 15.28 -11.15 C 11.59 -13.30 C 12.83 -11.15 C 11.59 -11.85 32 1 -1 33 2 -1 36 3 -2 25 4 -2 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 35 10 -2 26 11 -2 27 12 -1 28 13 -2 29 14 -2 15 30 1 16 17 1 16 25 1 17 26 1 18 19 1 18 27 1 19 38 1 20 21 1 20 34 1 21 37 1 22 29 1 22 32 1 23 28 1 23 35 1 37 24 -1 38 24 -1 25 33 1 26 30 1 27 31 1 28 33 1 29 36 1 31 36 1 32 35 1 32 37 1 33 34 1 34 35 1 36 38 1 37 38 1', '38 42 H 14.04 -10.65 H 16.47 -10.18 H 11.59 -14.54 C:19 16.14 -6.89 C:25 23.22 -9.17 C:27 21.36 -10.83 C:16 9.60 -15.24 C:29 11.17 -15.20 C:18 15.31 -8.32 C:20 15.31 -12.55 O 21.29 -7.09 O 7.91 -14.02 O 18.88 -10.46 O 12.86 -15.42 O 22.74 -10.50 C:33 18.49 -7.65 C:28 19.45 -8.72 C:31 9.11 -11.85 C:33 10.34 -11.15 C:33 14.04 -9.01 C:26 12.83 -9.73 C:39 14.04 -13.30 C:48 16.62 -11.57 C:29 11.61 -10.44 C:29 17.08 -7.96 C:77 20.85 -8.42 C:78 9.11 -13.30 C:72 17.48 -10.44 C:68 12.83 -14.02 C:73 21.80 -9.46 C:42 10.34 -14.02 C:47 14.04 -11.85 C:51 16.62 -9.29 C:46 15.28 -9.73 C:47 15.28 -11.15 C:54 11.59 -13.30 C:21 12.83 -11.15 C:30 11.59 -11.85 32 1 -1 33 2 -1 36 3 -2 25 4 -2 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 35 10 -2 26 11 -2 27 12 -1 28 13 -2 29 14 -2 15 30 1 16 17 1 16 25 1 17 26 1 18 19 1 18 27 1 19 38 1 20 21 1 20 34 1 21 37 1 22 29 1 22 32 1 23 28 1 23 35 1 37 24 -1 38 24 -1 25 33 1 26 30 1 27 31 1 28 33 1 29 36 1 31 36 1 32 35 1 32 37 1 33 34 1 34 35 1 36 38 1 37 38 1', 'C30H52O5', 492.342, 'P', 'ph_37_1403_5', 884, '', '', '1', 1, NULL, NULL),
(1953, 'Cyclocanthoside E', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:8]46[CH2:7][C@H:6](O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[C@@:5]3([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C@@H:101]2O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:2][CH2:1][C@@:10]35[CH2:19][C@@:9]45[CH2:11][CH2:12][C@:13]7([CH3:18])[C@@H:17]([C@H:20]([CH3:21])[CH2:22][CH2:23][C@H:24](O)[C:25]([CH3:26])([CH3:27])O)[C@@H:16](O)[CH2:15][C@@:14]67[CH3:30]', '[H][C@@]46C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]3([H])[C@](C)(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]35C[C@@]45CC[C@]7(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@H](O)C[C@@]67C', '[H][C@@:46]46[CH2:34][C@H:79](O[C@@H:105]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]1O)[C@@:53]3([H])[C@:43]([CH3:29])([CH3:20])[C@@H:89](O[C@@H:108]2O[CH2:67][C@@H:71](O)[C@H:79](O)[C@H:76]2O)[CH2:29][CH2:32][C@@:30]35[CH2:28][C@@:22]45[CH2:26][CH2:33][C@:46]7([CH3:18])[C@@H:57]([C@H:29]([CH3:19])[CH2:33][CH2:28][C@H:77](O)[C:73]([CH3:26])([CH3:27])O)[C@@H:72](O)[CH2:48][C@@:47]67[CH3:17]', '57 63 H 16.45 -8.52 H 14.01 -12.40 C:21 18.21 -5.26 C:27 24.08 -7.80 C:26 25.64 -5.98 C:28 13.60 -13.06 C:29 12.02 -13.09 C:18 17.71 -6.20 C:30 17.71 -10.41 O 16.65 -18.09 O 5.51 -9.11 O 21.28 -8.34 O 23.35 -4.19 O 5.53 -11.90 O 20.12 -13.10 O 20.22 -15.90 O 7.95 -13.28 O 17.66 -11.79 O 25.43 -7.25 C:206 17.84 -17.36 C:22 20.78 -5.29 C:23 21.90 -6.13 C:2 11.55 -9.72 C:1 12.76 -9.02 C:12 16.45 -6.90 C:11 15.24 -7.62 C:105 7.92 -9.10 C:15 19.02 -9.44 C:7 16.45 -11.17 C:19 14.02 -8.32 O 9.12 -9.79 O 16.52 -15.33 O 10.35 -11.87 O 15.28 -13.27 C:20 19.49 -5.84 C:104 6.72 -9.80 C:16 19.88 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(1962, '', '(23E)-27-nor-3beta-hydroxycycloart-23-en-25-one', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:17]4([C@H:20]([CH3:21])[CH2:22][CH:23]=[CH:24][C:25]([CH3:26])=O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@@]4([C@H](C)CC=CC(C)=O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@@](C)(C)[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@@:52]4([C@H:36]([CH3:19])[CH2:40][CH:148]=[CH:133][C:198]([CH3:27])=O)[CH2:28][CH2:36][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:26][CH2:21][C@@:47]1([H])[C@@:41]([CH3:25])([CH3:14])[C@@H:79](O)[CH2:30][CH2:32][C@@:26]13[CH2:30][C@@:20]23[CH2:26][CH2:33][C@:45]45[CH3:18]', '34 38 H 16.55 -10.25 H 11.66 -14.62 H 14.12 -10.72 C:26 21.55 -10.89 C:21 16.22 -6.95 C:28 11.24 -15.28 C:29 9.67 -15.32 C:18 15.39 -8.38 C:30 15.39 -12.63 O 23.20 -9.05 O 7.98 -14.10 C:23 19.53 -8.78 C:24 20.93 -8.48 C:22 18.56 -7.71 C:2 9.18 -11.92 C:16 17.56 -10.51 C:6 12.90 -14.10 C:7 14.12 -13.38 C:1 10.41 -11.22 C:15 16.70 -11.64 C:12 14.12 -9.08 C:11 12.90 -9.80 C:19 11.68 -10.51 C:25 21.88 -9.53 C:20 17.16 -8.02 C:3 9.18 -13.38 C:4 10.41 -14.10 C:17 16.70 -9.36 C:5 11.66 -13.38 C:8 14.12 -11.92 C:13 15.36 -9.80 C:14 15.36 -11.22 C:10 11.66 -11.92 C:9 12.90 -11.22 28 1 -1 29 2 -2 30 3 -1 4 24 1 25 5 -2 27 6 -2 27 7 -1 31 8 -1 32 9 -2 10 24 2 26 11 -1 12 13 2 12 14 1 13 24 1 14 25 1 15 19 1 15 26 1 16 20 1 16 28 1 17 18 1 17 29 1 18 30 1 19 33 1 20 32 1 21 22 1 21 31 1 22 34 1 33 23 -1 34 23 -1 25 28 1 26 27 1 27 29 1 28 31 1 29 33 1 30 32 1 30 34 1 31 32 1 33 34 1', '34 38 H 16.55 -10.25 H 11.66 -14.62 H 14.12 -10.72 C 21.55 -10.89 C 16.22 -6.95 C 11.24 -15.28 C 9.67 -15.32 C 15.39 -8.38 C 15.39 -12.63 O 23.20 -9.05 O 7.98 -14.10 C 19.53 -8.78 C 20.93 -8.48 C 18.56 -7.71 C 9.18 -11.92 C 17.56 -10.51 C 12.90 -14.10 C 14.12 -13.38 C 10.41 -11.22 C 16.70 -11.64 C 14.12 -9.08 C 12.90 -9.80 C 11.68 -10.51 C 21.88 -9.53 C 17.16 -8.02 C 9.18 -13.38 C 10.41 -14.10 C 16.70 -9.36 C 11.66 -13.38 C 14.12 -11.92 C 15.36 -9.80 C 15.36 -11.22 C 11.66 -11.92 C 12.90 -11.22 28 1 -1 29 2 -2 30 3 -1 4 24 1 25 5 -2 27 6 -2 27 7 -1 31 8 -1 32 9 -2 10 24 2 26 11 -1 12 13 2 12 14 1 13 24 1 14 25 1 15 19 1 15 26 1 16 20 1 16 28 1 17 18 1 17 29 1 18 30 1 19 33 1 20 32 1 21 22 1 21 31 1 22 34 1 33 23 -1 34 23 -1 25 28 1 26 27 1 27 29 1 28 31 1 29 33 1 30 32 1 30 34 1 31 32 1 33 34 1', '34 38 H 16.55 -10.25 H 11.66 -14.62 H 14.12 -10.72 C:27 21.55 -10.89 C:19 16.22 -6.95 C:25 11.24 -15.28 C:14 9.67 -15.32 C:18 15.39 -8.38 C:19 15.39 -12.63 O 23.20 -9.05 O 7.98 -14.10 C:148 19.53 -8.78 C:133 20.93 -8.48 C:40 18.56 -7.71 C:30 9.18 -11.92 C:28 17.56 -10.51 C:21 12.90 -14.10 C:26 14.12 -13.38 C:32 10.41 -11.22 C:36 16.70 -11.64 C:33 14.12 -9.08 C:26 12.90 -9.80 C:30 11.68 -10.51 C:198 21.88 -9.53 C:36 17.16 -8.02 C:79 9.18 -13.38 C:41 10.41 -14.10 C:52 16.70 -9.36 C:47 11.66 -13.38 C:48 14.12 -11.92 C:45 15.36 -9.80 C:49 15.36 -11.22 C:26 11.66 -11.92 C:20 12.90 -11.22 28 1 -1 29 2 -2 30 3 -1 4 24 1 25 5 -2 27 6 -2 27 7 -1 31 8 -1 32 9 -2 10 24 2 26 11 -1 12 13 2 12 14 1 13 24 1 14 25 1 15 19 1 15 26 1 16 20 1 16 28 1 17 18 1 17 29 1 18 30 1 19 33 1 20 32 1 21 22 1 21 31 1 22 34 1 33 23 -1 34 23 -1 25 28 1 26 27 1 27 29 1 28 31 1 29 33 1 30 32 1 30 34 1 31 32 1 33 34 1', 'C29H46O2', 426.333, 'C', 'np_03_263_2', 2559, '', '', '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
(1963, 'Mangiferonic acid', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O)[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@@]4([C@H](C)CCC=C(C)C(=O)O)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(C)C(=O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@@:52]4([C@H:36]([CH3:18])[CH2:26][CH2:34][CH:146]=[C:127]([CH3:12])[C:174](=O)O)[CH2:28][CH2:36][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:26][CH2:22][C@@:48]1([H])[C@:50]([CH3:21])([CH3:22])[C:217](=O)[CH2:37][CH2:33][C@@:26]13[CH2:30][C@@:21]23[CH2:27][CH2:33][C@:45]45[CH3:18]', '36 40 H 15.41 -10.24 H 10.53 -14.60 H 12.98 -10.71 C:27 20.28 -10.89 C:21 15.08 -6.94 C:28 10.11 -15.26 C:29 8.54 -15.30 C:18 14.25 -8.37 C:30 14.25 -12.61 O 22.63 -7.91 O 6.85 -14.07 O 23.07 -10.28 C:24 19.77 -8.47 C:23 18.37 -8.77 C:2 8.05 -11.91 C:22 17.42 -7.70 C:1 9.28 -11.21 C:16 16.42 -10.50 C:6 11.77 -14.08 C:7 12.98 -13.36 C:15 15.56 -11.63 C:12 12.98 -9.07 C:11 11.77 -9.79 C:19 10.55 -10.50 C:25 20.72 -9.52 C:26 22.14 -9.23 C:3 8.05 -13.36 C:20 16.02 -8.01 C:4 9.28 -14.08 C:17 15.56 -9.35 C:5 10.53 -13.36 C:8 12.98 -11.91 C:13 14.22 -9.79 C:14 14.22 -11.21 C:10 10.53 -11.91 C:9 11.77 -11.21 30 1 -1 31 2 -2 32 3 -1 4 25 1 28 5 -2 29 6 -2 29 7 -1 33 8 -1 34 9 -2 10 26 2 11 27 2 12 26 1 13 14 1 13 25 2 14 16 1 15 17 1 15 27 1 16 28 1 17 35 1 18 21 1 18 30 1 19 20 1 19 31 1 20 32 1 21 34 1 22 23 1 22 33 1 23 36 1 35 24 -1 36 24 -1 25 26 1 27 29 1 28 30 1 29 31 1 30 33 1 31 35 1 32 34 1 32 36 1 33 34 1 35 36 1', '36 40 H 15.41 -10.24 H 10.53 -14.60 H 12.98 -10.71 C 20.28 -10.89 C 15.08 -6.94 C 10.11 -15.26 C 8.54 -15.30 C 14.25 -8.37 C 14.25 -12.61 O 22.63 -7.91 O 6.85 -14.07 O 23.07 -10.28 C 19.77 -8.47 C 18.37 -8.77 C 8.05 -11.91 C 17.42 -7.70 C 9.28 -11.21 C 16.42 -10.50 C 11.77 -14.08 C 12.98 -13.36 C 15.56 -11.63 C 12.98 -9.07 C 11.77 -9.79 C 10.55 -10.50 C 20.72 -9.52 C 22.14 -9.23 C 8.05 -13.36 C 16.02 -8.01 C 9.28 -14.08 C 15.56 -9.35 C 10.53 -13.36 C 12.98 -11.91 C 14.22 -9.79 C 14.22 -11.21 C 10.53 -11.91 C 11.77 -11.21 30 1 -1 31 2 -2 32 3 -1 4 25 1 28 5 -2 29 6 -2 29 7 -1 33 8 -1 34 9 -2 10 26 2 11 27 2 12 26 1 13 14 1 13 25 2 14 16 1 15 17 1 15 27 1 16 28 1 17 35 1 18 21 1 18 30 1 19 20 1 19 31 1 20 32 1 21 34 1 22 23 1 22 33 1 23 36 1 35 24 -1 36 24 -1 25 26 1 27 29 1 28 30 1 29 31 1 30 33 1 31 35 1 32 34 1 32 36 1 33 34 1 35 36 1', '36 40 H 15.41 -10.24 H 10.53 -14.60 H 12.98 -10.71 C:12 20.28 -10.89 C:18 15.08 -6.94 C:22 10.11 -15.26 C:21 8.54 -15.30 C:18 14.25 -8.37 C:19 14.25 -12.61 O 22.63 -7.91 O 6.85 -14.07 O 23.07 -10.28 C:146 19.77 -8.47 C:34 18.37 -8.77 C:37 8.05 -11.91 C:26 17.42 -7.70 C:33 9.28 -11.21 C:28 16.42 -10.50 C:22 11.77 -14.08 C:26 12.98 -13.36 C:36 15.56 -11.63 C:33 12.98 -9.07 C:27 11.77 -9.79 C:30 10.55 -10.50 C:127 20.72 -9.52 C:174 22.14 -9.23 C:217 8.05 -13.36 C:36 16.02 -8.01 C:50 9.28 -14.08 C:52 15.56 -9.35 C:48 10.53 -13.36 C:48 12.98 -11.91 C:45 14.22 -9.79 C:49 14.22 -11.21 C:26 10.53 -11.91 C:21 11.77 -11.21 30 1 -1 31 2 -2 32 3 -1 4 25 1 28 5 -2 29 6 -2 29 7 -1 33 8 -1 34 9 -2 10 26 2 11 27 2 12 26 1 13 14 1 13 25 2 14 16 1 15 17 1 15 27 1 16 28 1 17 35 1 18 21 1 18 30 1 19 20 1 19 31 1 20 32 1 21 34 1 22 23 1 22 33 1 23 36 1 35 24 -1 36 24 -1 25 26 1 27 29 1 28 30 1 29 31 1 30 33 1 31 35 1 32 34 1 32 36 1 33 34 1 35 36 1', 'C30H46O3', 454.343, 'C', 'np_03_263_3', 2559, '', '', '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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(1980, '', '3a-O-acetyl-20,24,25-trihydroxydammarane', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@:4]([CH3:28])([CH3:29])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][CH2:16][C@@H:17]4[C:20]([CH3:21])(O)[CH2:22][CH2:23][CH:24](O)[C:25]([CH3:26])([CH3:27])O', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@@H](OC(C)=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@H]4C(C)(O)CCC(O)C(C)(C)O', '[H][C@:43]34[CH2:25][CH2:22][C@:52]2([H])[C@@:38]1([CH3:17])[CH2:35][CH2:26][C@@H:79](O[C:170]([CH3:22])=O)[C@:38]([CH3:22])([CH3:29])[C@:52]1([H])[CH2:19][CH2:36][C@@:41]2([CH3:16])[C@:51]3([CH3:17])[CH2:32][CH2:29][C@@H:51]4[C:75]([CH3:27])(O)[CH2:40][CH2:27][CH:81](O)[C:73]([CH3:26])([CH3:27])O', '40 43 H 16.58 -5.64 H 12.82 -11.53 H 14.12 -9.29 O 7.96 -9.14 C:3002 6.74 -11.28 C:27 22.56 -7.93 C:26 24.39 -6.31 C:21 17.41 -4.02 C:29 10.80 -12.36 C:28 12.32 -12.41 C:30 16.60 -9.73 C:19 12.82 -7.57 C:18 15.34 -7.57 O 22.49 -4.21 O 23.93 -7.65 O 18.79 -3.76 C:23 20.68 -5.84 C:2 10.36 -9.00 C:16 18.74 -7.57 C:22 19.74 -4.80 C:12 15.33 -6.15 C:1 11.58 -8.27 C:15 17.91 -8.69 C:11 14.09 -6.86 C:6 14.09 -11.16 C:7 15.33 -10.46 O 9.17 -11.20 C:3001 7.93 -10.54 C:24 22.06 -5.55 C:3 10.36 -10.46 C:17 17.91 -6.43 C:25 23.00 -6.61 C:20 18.35 -5.09 C:13 16.58 -6.86 C:4 11.58 -11.16 C:5 12.82 -10.46 C:9 14.09 -8.27 C:14 16.58 -8.27 C:10 12.82 -9.00 C:8 15.33 -9.00 34 1 -1 36 2 -2 37 3 -2 4 28 2 5 28 1 6 32 1 7 32 1 8 33 1 35 9 -1 35 10 -2 38 11 -2 39 12 -1 40 13 -1 14 29 1 15 32 1 16 33 1 17 20 1 17 29 1 18 22 1 18 30 1 19 23 1 19 31 1 20 33 1 21 24 1 21 34 1 22 39 1 23 38 1 24 37 1 25 26 1 25 36 1 26 40 1 27 28 1 30 27 -2 29 32 1 30 35 1 31 33 -1 31 34 1 34 38 1 35 36 1 36 39 1 37 39 1 37 40 1 38 40 1', '40 43 H 16.58 -5.64 H 12.82 -11.53 H 14.12 -9.29 O 7.96 -9.14 C 6.74 -11.28 C 22.56 -7.93 C 24.39 -6.31 C 17.41 -4.02 C 10.80 -12.36 C 12.32 -12.41 C 16.60 -9.73 C 12.82 -7.57 C 15.34 -7.57 O 22.49 -4.21 O 23.93 -7.65 O 18.79 -3.76 C 20.68 -5.84 C 10.36 -9.00 C 18.74 -7.57 C 19.74 -4.80 C 15.33 -6.15 C 11.58 -8.27 C 17.91 -8.69 C 14.09 -6.86 C 14.09 -11.16 C 15.33 -10.46 O 9.17 -11.20 C 7.93 -10.54 C 22.06 -5.55 C 10.36 -10.46 C 17.91 -6.43 C 23.00 -6.61 C 18.35 -5.09 C 16.58 -6.86 C 11.58 -11.16 C 12.82 -10.46 C 14.09 -8.27 C 16.58 -8.27 C 12.82 -9.00 C 15.33 -9.00 34 1 -1 36 2 -2 37 3 -2 4 28 2 5 28 1 6 32 1 7 32 1 8 33 1 35 9 -1 35 10 -2 38 11 -2 39 12 -1 40 13 -1 14 29 1 15 32 1 16 33 1 17 20 1 17 29 1 18 22 1 18 30 1 19 23 1 19 31 1 20 33 1 21 24 1 21 34 1 22 39 1 23 38 1 24 37 1 25 26 1 25 36 1 26 40 1 27 28 1 30 27 -2 29 32 1 30 35 1 31 33 -1 31 34 1 34 38 1 35 36 1 36 39 1 37 39 1 37 40 1 38 40 1', '40 43 H 16.58 -5.64 H 12.82 -11.53 H 14.12 -9.29 O 7.96 -9.14 C:22 6.74 -11.28 C:27 22.56 -7.93 C:26 24.39 -6.31 C:27 17.41 -4.02 C:29 10.80 -12.36 C:22 12.32 -12.41 C:17 16.60 -9.73 C:17 12.82 -7.57 C:16 15.34 -7.57 O 22.49 -4.21 O 23.93 -7.65 O 18.79 -3.76 C:27 20.68 -5.84 C:26 10.36 -9.00 C:29 18.74 -7.57 C:40 19.74 -4.80 C:25 15.33 -6.15 C:35 11.58 -8.27 C:32 17.91 -8.69 C:22 14.09 -6.86 C:19 14.09 -11.16 C:36 15.33 -10.46 O 9.17 -11.20 C:170 7.93 -10.54 C:81 22.06 -5.55 C:79 10.36 -10.46 C:51 17.91 -6.43 C:73 23.00 -6.61 C:75 18.35 -5.09 C:43 16.58 -6.86 C:38 11.58 -11.16 C:52 12.82 -10.46 C:52 14.09 -8.27 C:51 16.58 -8.27 C:38 12.82 -9.00 C:41 15.33 -9.00 34 1 -1 36 2 -2 37 3 -2 4 28 2 5 28 1 6 32 1 7 32 1 8 33 1 35 9 -1 35 10 -2 38 11 -2 39 12 -1 40 13 -1 14 29 1 15 32 1 16 33 1 17 20 1 17 29 1 18 22 1 18 30 1 19 23 1 19 31 1 20 33 1 21 24 1 21 34 1 22 39 1 23 38 1 24 37 1 25 26 1 25 36 1 26 40 1 27 28 1 30 27 -2 29 32 1 30 35 1 31 33 -1 31 34 1 34 38 1 35 36 1 36 39 1 37 39 1 37 40 1 38 40 1', 'C32H56O5', 520.363, 'C', 'ph_65_2173_10', 2265, '', '', '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
(1987, '', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][C@H:16](O)[C@@H:17]4[C@:20]([CH3:21])(O)[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CCC(=O)[C@@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)C[C@H](O)[C@@H]4[C@](C)(O)CCC=C(C)C', '[H][C@:51]34[CH2:27][CH2:22][C@:50]2([H])[C@@:37]1([CH3:16])[CH2:40][CH2:34][C:218](=O)[C@@:47]([CH3:21])([CH3:27])[C@:55]1([H])[CH2:20][CH2:35][C@@:40]2([CH3:18])[C@:48]3([CH3:16])[CH2:44][C@H:74](O)[C@@H:41]4[C@:76]([CH3:26])(O)[CH2:43][CH2:22][CH:125]=[C:132]([CH3:18])[CH3:26]', '36 39 H 15.34 -5.64 H 11.58 -11.53 H 12.88 -9.29 C:26 23.15 -6.31 C:27 21.32 -7.93 C:28 11.08 -12.41 C:29 9.56 -12.36 C:21 16.17 -4.02 C:19 11.58 -7.57 C:30 15.36 -9.73 C:18 14.10 -7.57 O 7.93 -11.20 O 18.90 -7.58 O 17.55 -3.76 C:24 20.82 -5.55 C:23 19.44 -5.84 C:2 9.12 -9.00 C:22 18.50 -4.80 C:1 10.35 -8.27 C:12 14.09 -6.15 C:11 12.85 -6.86 C:6 12.85 -11.16 C:7 14.09 -10.46 C:15 16.67 -8.69 C:25 21.76 -6.61 C:3 9.12 -10.46 C:16 17.50 -7.57 C:17 16.67 -6.43 C:4 10.35 -11.16 C:20 17.11 -5.09 C:13 15.34 -6.86 C:5 11.58 -10.46 C:9 12.85 -8.27 C:10 11.58 -9.00 C:14 15.34 -8.27 C:8 14.09 -9.00 31 1 -1 32 2 -2 33 3 -2 4 25 1 5 25 1 29 6 -2 29 7 -1 30 8 -1 34 9 -1 35 10 -2 36 11 -1 12 26 2 27 13 -1 30 14 -2 15 16 1 15 25 2 16 18 1 17 19 1 17 26 1 18 30 1 19 34 1 20 21 1 20 31 1 21 33 1 22 23 1 22 32 1 23 36 1 24 27 1 24 35 1 26 29 1 27 28 1 28 30 -1 28 31 1 29 32 1 31 35 1 32 34 1 33 34 1 33 36 1 35 36 1', '36 39 H 15.34 -5.64 H 11.58 -11.53 H 12.88 -9.29 C 23.15 -6.31 C 21.32 -7.93 C 11.08 -12.41 C 9.56 -12.36 C 16.17 -4.02 C 11.58 -7.57 C 15.36 -9.73 C 14.10 -7.57 O 7.93 -11.20 O 18.90 -7.58 O 17.55 -3.76 C 20.82 -5.55 C 19.44 -5.84 C 9.12 -9.00 C 18.50 -4.80 C 10.35 -8.27 C 14.09 -6.15 C 12.85 -6.86 C 12.85 -11.16 C 14.09 -10.46 C 16.67 -8.69 C 21.76 -6.61 C 9.12 -10.46 C 17.50 -7.57 C 16.67 -6.43 C 10.35 -11.16 C 17.11 -5.09 C 15.34 -6.86 C 11.58 -10.46 C 12.85 -8.27 C 11.58 -9.00 C 15.34 -8.27 C 14.09 -9.00 31 1 -1 32 2 -2 33 3 -2 4 25 1 5 25 1 29 6 -2 29 7 -1 30 8 -1 34 9 -1 35 10 -2 36 11 -1 12 26 2 27 13 -1 30 14 -2 15 16 1 15 25 2 16 18 1 17 19 1 17 26 1 18 30 1 19 34 1 20 21 1 20 31 1 21 33 1 22 23 1 22 32 1 23 36 1 24 27 1 24 35 1 26 29 1 27 28 1 28 30 -1 28 31 1 29 32 1 31 35 1 32 34 1 33 34 1 33 36 1 35 36 1', '36 39 H 15.34 -5.64 H 11.58 -11.53 H 12.88 -9.29 C:26 23.15 -6.31 C:18 21.32 -7.93 C:27 11.08 -12.41 C:21 9.56 -12.36 C:26 16.17 -4.02 C:16 11.58 -7.57 C:16 15.36 -9.73 C:18 14.10 -7.57 O 7.93 -11.20 O 18.90 -7.58 O 17.55 -3.76 C:125 20.82 -5.55 C:22 19.44 -5.84 C:34 9.12 -9.00 C:43 18.50 -4.80 C:40 10.35 -8.27 C:27 14.09 -6.15 C:22 12.85 -6.86 C:20 12.85 -11.16 C:35 14.09 -10.46 C:44 16.67 -8.69 C:132 21.76 -6.61 C:218 9.12 -10.46 C:74 17.50 -7.57 C:41 16.67 -6.43 C:47 10.35 -11.16 C:76 17.11 -5.09 C:51 15.34 -6.86 C:55 11.58 -10.46 C:50 12.85 -8.27 C:37 11.58 -9.00 C:48 15.34 -8.27 C:40 14.09 -9.00 31 1 -1 32 2 -2 33 3 -2 4 25 1 5 25 1 29 6 -2 29 7 -1 30 8 -1 34 9 -1 35 10 -2 36 11 -1 12 26 2 27 13 -1 30 14 -2 15 16 1 15 25 2 16 18 1 17 19 1 17 26 1 18 30 1 19 34 1 20 21 1 20 31 1 21 33 1 22 23 1 22 32 1 23 36 1 24 27 1 24 35 1 26 29 1 27 28 1 28 30 -1 28 31 1 29 32 1 31 35 1 32 34 1 33 34 1 33 36 1 35 36 1', 'C30H50O3', 458.343, 'C', 'ph_25_917_6', 1820, '', '', '3', 1, NULL, NULL),
(1988, 'Dammarenediol', '(20S)-5a-Dammar-24-en-3b,20-diol', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:29])([CH3:28])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][CH2:16][C@@H:17]4[C@@:20]([CH3:21])(O)[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](O)[C@@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@H]4[C@@](C)(O)CCC=C(C)C', '[H][C@:42]34[CH2:25][CH2:22][C@:51]2([H])[C@@:37]1([CH3:16])[CH2:39][CH2:27][C@H:79](O)[C@@:39]([CH3:15])([CH3:28])[C@:56]1([H])[CH2:18][CH2:35][C@@:40]2([CH3:16])[C@:50]3([CH3:17])[CH2:31][CH2:28][C@@H:50]4[C@@:75]([CH3:25])(O)[CH2:41][CH2:23][CH:125]=[C:132]([CH3:18])[CH3:26]', '35 38 C:28 11.08 -12.41 C:29 9.56 -12.36 C:30 15.36 -9.73 C:19 11.58 -7.57 C:18 14.10 -7.57 C:12 14.09 -6.15 C:2 9.12 -9.00 C:11 12.85 -6.86 C:6 12.85 -11.16 C:3 9.12 -10.46 C:1 10.35 -8.27 C:7 14.09 -10.46 C:13 15.34 -6.86 C:9 12.85 -8.27 C:5 11.58 -10.46 C:4 10.35 -11.16 C:14 15.34 -8.27 C:10 11.58 -9.00 C:8 14.09 -9.00 H 11.58 -11.53 H 12.88 -9.29 H 15.34 -5.64 C:15 16.67 -8.69 C:16 17.50 -7.57 C:17 16.67 -6.43 C:20 17.11 -5.09 C:22 18.50 -4.80 C:21 16.17 -4.02 C:23 19.44 -5.84 C:24 20.82 -5.55 C:25 21.76 -6.61 C:26 23.15 -6.31 C:27 21.32 -7.93 O 17.55 -3.76 O 7.93 -11.20 16 1 -2 16 2 -1 17 3 -2 18 4 -1 19 5 -1 6 8 1 6 13 1 7 10 1 7 11 1 8 14 1 9 12 1 9 15 1 10 16 1 11 18 1 12 19 1 13 17 1 14 18 1 14 19 1 15 16 1 15 18 1 17 19 1 15 20 -2 14 21 -2 13 22 -1 23 24 1 24 25 1 13 25 1 17 23 1 25 26 -1 26 27 1 26 28 -2 27 29 1 29 30 1 30 31 2 31 32 1 31 33 1 26 34 -1 10 35 -1', '35 38 C 11.08 -12.41 C 9.56 -12.36 C 15.36 -9.73 C 11.58 -7.57 C 14.10 -7.57 C 14.09 -6.15 C 9.12 -9.00 C 12.85 -6.86 C 12.85 -11.16 C 9.12 -10.46 C 10.35 -8.27 C 14.09 -10.46 C 15.34 -6.86 C 12.85 -8.27 C 11.58 -10.46 C 10.35 -11.16 C 15.34 -8.27 C 11.58 -9.00 C 14.09 -9.00 H 11.58 -11.53 H 12.88 -9.29 H 15.34 -5.64 C 16.67 -8.69 C 17.50 -7.57 C 16.67 -6.43 C 17.11 -5.09 C 18.50 -4.80 C 16.17 -4.02 C 19.44 -5.84 C 20.82 -5.55 C 21.76 -6.61 C 23.15 -6.31 C 21.32 -7.93 O 17.55 -3.76 O 7.93 -11.20 16 1 -2 16 2 -1 17 3 -2 18 4 -1 19 5 -1 6 8 1 6 13 1 7 10 1 7 11 1 8 14 1 9 12 1 9 15 1 10 16 1 11 18 1 12 19 1 13 17 1 14 18 1 14 19 1 15 16 1 15 18 1 17 19 1 15 20 -2 14 21 -2 13 22 -1 23 24 1 24 25 1 13 25 1 17 23 1 25 26 -1 26 27 1 26 28 -2 27 29 1 29 30 1 30 31 2 31 32 1 31 33 1 26 34 -1 10 35 -1', '35 38 C:28 11.08 -12.41 C:15 9.56 -12.36 C:17 15.36 -9.73 C:16 11.58 -7.57 C:16 14.10 -7.57 C:25 14.09 -6.15 C:27 9.12 -9.00 C:22 12.85 -6.86 C:18 12.85 -11.16 C:79 9.12 -10.46 C:39 10.35 -8.27 C:35 14.09 -10.46 C:42 15.34 -6.86 C:51 12.85 -8.27 C:56 11.58 -10.46 C:39 10.35 -11.16 C:50 15.34 -8.27 C:37 11.58 -9.00 C:40 14.09 -9.00 H 11.58 -11.53 H 12.88 -9.29 H 15.34 -5.64 C:31 16.67 -8.69 C:28 17.50 -7.57 C:50 16.67 -6.43 C:75 17.11 -5.09 C:41 18.50 -4.80 C:25 16.17 -4.02 C:23 19.44 -5.84 C:125 20.82 -5.55 C:132 21.76 -6.61 C:26 23.15 -6.31 C:18 21.32 -7.93 O 17.55 -3.76 O 7.93 -11.20 16 1 -2 16 2 -1 17 3 -2 18 4 -1 19 5 -1 6 8 1 6 13 1 7 10 1 7 11 1 8 14 1 9 12 1 9 15 1 10 16 1 11 18 1 12 19 1 13 17 1 14 18 1 14 19 1 15 16 1 15 18 1 17 19 1 15 20 -2 14 21 -2 13 22 -1 23 24 1 24 25 1 13 25 1 17 23 1 25 26 -1 26 27 1 26 28 -2 27 29 1 29 30 1 30 31 2 31 32 1 31 33 1 26 34 -1 10 35 -1', 'C30H52O2', 444.344, 'C', 'ph_27_2304_1a', 213, '', '', '3', 1, NULL, NULL),
(1989, '3-Acetoxy-Dammarenediol', '(20S)-5a-Dammar-24-en-3b-acetoxy,20-ol', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]([CH3:28])([CH3:29])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][CH2:16][C@@H:17]4[C@@:20]([CH3:21])(O)[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](OC(C)=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@H]4[C@@](C)(O)CCC=C(C)C', '[H][C@:43]34[CH2:26][CH2:22][C@:51]2([H])[C@@:37]1([CH3:16])[CH2:38][CH2:24][C@H:81](O[C:171]([CH3:21])=O)[C@:39]([CH3:28])([CH3:16])[C@:56]1([H])[CH2:18][CH2:35][C@@:41]2([CH3:17])[C@:51]3([CH3:17])[CH2:31][CH2:28][C@@H:50]4[C@@:76]([CH3:25])(O)[CH2:41][CH2:23][CH:125]=[C:132]([CH3:26])[CH3:18]', '38 41 H 16.57 -5.64 H 12.81 -11.53 H 14.11 -9.29 C:27 22.56 -7.93 C:26 24.39 -6.31 C:21 17.40 -4.02 C:29 10.79 -12.36 C:28 12.31 -12.41 C:30 16.59 -9.73 C:19 12.81 -7.57 C:18 15.33 -7.57 O 9.16 -11.20 O 18.78 -3.76 C:24 22.06 -5.55 C:23 20.68 -5.84 C:2 10.35 -9.00 C:16 18.73 -7.57 C:22 19.73 -4.80 C:12 15.32 -6.15 C:1 11.58 -8.27 C:15 17.90 -8.69 C:11 14.08 -6.86 C:6 14.08 -11.16 C:7 15.32 -10.46 C:25 23.00 -6.61 C:3 10.35 -10.46 C:17 17.90 -6.43 C:20 18.34 -5.09 C:4 11.58 -11.16 C:13 16.57 -6.86 C:5 12.81 -10.46 C:9 14.08 -8.27 C:14 16.57 -8.27 C:10 12.81 -9.00 C:8 15.32 -9.00 C:3001 7.93 -10.54 C:3002 6.74 -11.28 O 7.95 -9.14 30 1 -1 31 2 -2 32 3 -2 4 25 1 5 25 1 28 6 -2 29 7 -1 29 8 -2 33 9 -2 34 10 -1 35 11 -1 26 12 -1 28 13 -1 14 15 1 14 25 2 15 18 1 16 20 1 16 26 1 17 21 1 17 27 1 18 28 1 19 22 1 19 30 1 20 34 1 21 33 1 22 32 1 23 24 1 23 31 1 24 35 1 26 29 1 27 28 -1 27 30 1 29 31 1 30 33 1 31 34 1 32 34 1 32 35 1 33 35 1 12 36 1 36 37 1 36 38 2', '38 41 H 16.57 -5.64 H 12.81 -11.53 H 14.11 -9.29 C 22.56 -7.93 C 24.39 -6.31 C 17.40 -4.02 C 10.79 -12.36 C 12.31 -12.41 C 16.59 -9.73 C 12.81 -7.57 C 15.33 -7.57 O 9.16 -11.20 O 18.78 -3.76 C 22.06 -5.55 C 20.68 -5.84 C 10.35 -9.00 C 18.73 -7.57 C 19.73 -4.80 C 15.32 -6.15 C 11.58 -8.27 C 17.90 -8.69 C 14.08 -6.86 C 14.08 -11.16 C 15.32 -10.46 C 23.00 -6.61 C 10.35 -10.46 C 17.90 -6.43 C 18.34 -5.09 C 11.58 -11.16 C 16.57 -6.86 C 12.81 -10.46 C 14.08 -8.27 C 16.57 -8.27 C 12.81 -9.00 C 15.32 -9.00 C 7.93 -10.54 C 6.74 -11.28 O 7.95 -9.14 30 1 -1 31 2 -2 32 3 -2 4 25 1 5 25 1 28 6 -2 29 7 -1 29 8 -2 33 9 -2 34 10 -1 35 11 -1 26 12 -1 28 13 -1 14 15 1 14 25 2 15 18 1 16 20 1 16 26 1 17 21 1 17 27 1 18 28 1 19 22 1 19 30 1 20 34 1 21 33 1 22 32 1 23 24 1 23 31 1 24 35 1 26 29 1 27 28 -1 27 30 1 29 31 1 30 33 1 31 34 1 32 34 1 32 35 1 33 35 1 12 36 1 36 37 1 36 38 2', '38 41 H 16.57 -5.64 H 12.81 -11.53 H 14.11 -9.29 C:18 22.56 -7.93 C:26 24.39 -6.31 C:25 17.40 -4.02 C:16 10.79 -12.36 C:28 12.31 -12.41 C:17 16.59 -9.73 C:16 12.81 -7.57 C:17 15.33 -7.57 O 9.16 -11.20 O 18.78 -3.76 C:125 22.06 -5.55 C:23 20.68 -5.84 C:24 10.35 -9.00 C:28 18.73 -7.57 C:41 19.73 -4.80 C:26 15.32 -6.15 C:38 11.58 -8.27 C:31 17.90 -8.69 C:22 14.08 -6.86 C:18 14.08 -11.16 C:35 15.32 -10.46 C:132 23.00 -6.61 C:81 10.35 -10.46 C:50 17.90 -6.43 C:76 18.34 -5.09 C:39 11.58 -11.16 C:43 16.57 -6.86 C:56 12.81 -10.46 C:51 14.08 -8.27 C:51 16.57 -8.27 C:37 12.81 -9.00 C:41 15.32 -9.00 C:171 7.93 -10.54 C:21 6.74 -11.28 O 7.95 -9.14 30 1 -1 31 2 -2 32 3 -2 4 25 1 5 25 1 28 6 -2 29 7 -1 29 8 -2 33 9 -2 34 10 -1 35 11 -1 26 12 -1 28 13 -1 14 15 1 14 25 2 15 18 1 16 20 1 16 26 1 17 21 1 17 27 1 18 28 1 19 22 1 19 30 1 20 34 1 21 33 1 22 32 1 23 24 1 23 31 1 24 35 1 26 29 1 27 28 -1 27 30 1 29 31 1 30 33 1 31 34 1 32 34 1 32 35 1 33 35 1 12 36 1 36 37 1 36 38 2', 'C32H54O3', 486.364, 'C', 'ph_27_2304_1b', 213, '', '', '3', 1, NULL, NULL),
(1990, 'Dammaradienol', '5a-Dammar-20,24-dien-3b-ol', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:29])([CH3:28])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][CH2:16][C@@H:17]4[C:20](=[CH2:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:27])[CH3:26]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](O)[C@@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@H]4C(=C)CCC=C(C)C', '[H][C@:45]34[CH2:25][CH2:21][C@:51]2([H])[C@@:37]1([CH3:16])[CH2:39][CH2:28][C@H:79](O)[C@@:39]([CH3:15])([CH3:28])[C@:56]1([H])[CH2:18][CH2:36][C@@:41]2([CH3:16])[C@:50]3([CH3:16])[CH2:31][CH2:27][C@@H:48]4[C:153](=[CH2:108])[CH2:34][CH2:29][CH:125]=[C:131]([CH3:18])[CH3:26]', '34 37 H 15.34 -5.47 H 11.58 -11.36 H 12.88 -9.12 C:21 16.17 -3.85 C:26 23.16 -6.14 C:27 21.33 -7.76 C:28 11.08 -12.24 C:29 9.56 -12.19 C:30 15.36 -9.56 C:19 11.58 -7.40 C:18 14.10 -7.40 C:24 20.83 -5.38 C:23 19.45 -5.67 C:22 18.50 -4.63 C:2 9.12 -8.83 C:16 17.50 -7.40 C:1 10.35 -8.10 C:15 16.67 -8.52 C:12 14.09 -5.98 C:11 12.85 -6.69 C:6 12.85 -10.99 C:7 14.09 -10.29 O 7.93 -11.03 C:25 21.77 -6.44 C:20 17.11 -4.92 C:3 9.12 -10.29 C:17 16.67 -6.26 C:4 10.35 -10.99 C:13 15.34 -6.69 C:5 11.58 -10.29 C:9 12.85 -8.10 C:14 15.34 -8.10 C:10 11.58 -8.83 C:8 14.09 -8.83 29 1 -1 30 2 -2 31 3 -2 4 25 2 5 24 1 6 24 1 28 7 -2 28 8 -1 32 9 -2 33 10 -1 34 11 -1 12 13 1 12 24 2 13 14 1 14 25 1 15 17 1 15 26 1 16 18 1 16 27 1 17 33 1 18 32 1 19 20 1 19 29 1 20 31 1 21 22 1 21 30 1 22 34 1 26 23 -1 27 25 -1 26 28 1 27 29 1 28 30 1 29 32 1 30 33 1 31 33 1 31 34 1 32 34 1', '34 37 H 15.34 -5.47 H 11.58 -11.36 H 12.88 -9.12 C 16.17 -3.85 C 23.16 -6.14 C 21.33 -7.76 C 11.08 -12.24 C 9.56 -12.19 C 15.36 -9.56 C 11.58 -7.40 C 14.10 -7.40 C 20.83 -5.38 C 19.45 -5.67 C 18.50 -4.63 C 9.12 -8.83 C 17.50 -7.40 C 10.35 -8.10 C 16.67 -8.52 C 14.09 -5.98 C 12.85 -6.69 C 12.85 -10.99 C 14.09 -10.29 O 7.93 -11.03 C 21.77 -6.44 C 17.11 -4.92 C 9.12 -10.29 C 16.67 -6.26 C 10.35 -10.99 C 15.34 -6.69 C 11.58 -10.29 C 12.85 -8.10 C 15.34 -8.10 C 11.58 -8.83 C 14.09 -8.83 29 1 -1 30 2 -2 31 3 -2 4 25 2 5 24 1 6 24 1 28 7 -2 28 8 -1 32 9 -2 33 10 -1 34 11 -1 12 13 1 12 24 2 13 14 1 14 25 1 15 17 1 15 26 1 16 18 1 16 27 1 17 33 1 18 32 1 19 20 1 19 29 1 20 31 1 21 22 1 21 30 1 22 34 1 26 23 -1 27 25 -1 26 28 1 27 29 1 28 30 1 29 32 1 30 33 1 31 33 1 31 34 1 32 34 1', '34 37 H 15.34 -5.47 H 11.58 -11.36 H 12.88 -9.12 C:108 16.17 -3.85 C:26 23.16 -6.14 C:18 21.33 -7.76 C:28 11.08 -12.24 C:15 9.56 -12.19 C:16 15.36 -9.56 C:16 11.58 -7.40 C:16 14.10 -7.40 C:125 20.83 -5.38 C:29 19.45 -5.67 C:34 18.50 -4.63 C:28 9.12 -8.83 C:27 17.50 -7.40 C:39 10.35 -8.10 C:31 16.67 -8.52 C:25 14.09 -5.98 C:21 12.85 -6.69 C:18 12.85 -10.99 C:36 14.09 -10.29 O 7.93 -11.03 C:131 21.77 -6.44 C:153 17.11 -4.92 C:79 9.12 -10.29 C:48 16.67 -6.26 C:39 10.35 -10.99 C:45 15.34 -6.69 C:56 11.58 -10.29 C:51 12.85 -8.10 C:50 15.34 -8.10 C:37 11.58 -8.83 C:41 14.09 -8.83 29 1 -1 30 2 -2 31 3 -2 4 25 2 5 24 1 6 24 1 28 7 -2 28 8 -1 32 9 -2 33 10 -1 34 11 -1 12 13 1 12 24 2 13 14 1 14 25 1 15 17 1 15 26 1 16 18 1 16 27 1 17 33 1 18 32 1 19 20 1 19 29 1 20 31 1 21 22 1 21 30 1 22 34 1 26 23 -1 27 25 -1 26 28 1 27 29 1 28 30 1 29 32 1 30 33 1 31 33 1 31 34 1 32 34 1', 'C30H50O', 426.344, 'C', 'ph_27_2304_2a', 213, '', '', '3', 1, NULL, NULL),
(1991, '3-Acetoxy-Dammaradienol', '5a-Dammar-20,24-dien-3b-acetoxy', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]([CH3:28])([CH3:29])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][CH2:16][C@@H:17]4[C:20](=[CH2:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27]', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@H](OC(C)=O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@H]4C(=C)CCC=C(C)C', '[H][C@:45]34[CH2:25][CH2:21][C@:51]2([H])[C@@:37]1([CH3:16])[CH2:38][CH2:24][C@H:81](O[C:171]([CH3:21])=O)[C@:39]([CH3:28])([CH3:16])[C@:56]1([H])[CH2:18][CH2:35][C@@:41]2([CH3:16])[C@:50]3([CH3:17])[CH2:31][CH2:27][C@@H:48]4[C:153](=[CH2:108])[CH2:34][CH2:29][CH:125]=[C:131]([CH3:26])[CH3:18]', '37 40 H 16.57 -5.47 H 12.81 -11.36 H 14.11 -9.12 C:27 22.56 -7.76 C:26 24.39 -6.14 C:21 17.40 -3.85 C:29 10.79 -12.19 C:28 12.31 -12.24 C:30 16.59 -9.56 C:19 12.81 -7.40 C:18 15.33 -7.40 O 9.16 -11.03 C:24 22.06 -5.38 C:23 20.68 -5.67 C:2 10.35 -8.83 C:16 18.73 -7.40 C:22 19.73 -4.63 C:12 15.32 -5.98 C:1 11.58 -8.10 C:15 17.90 -8.52 C:11 14.08 -6.69 C:6 14.08 -10.99 C:7 15.32 -10.29 C:25 23.00 -6.44 C:3 10.35 -10.29 C:17 17.90 -6.26 C:20 18.34 -4.92 C:4 11.58 -10.99 C:13 16.57 -6.69 C:5 12.81 -10.29 C:9 14.08 -8.10 C:14 16.57 -8.10 C:10 12.81 -8.83 C:8 15.32 -8.83 C:3001 7.93 -10.37 C:3002 6.74 -11.11 O 7.95 -8.97 29 1 -1 30 2 -2 31 3 -2 4 24 1 5 24 1 27 6 2 28 7 -1 28 8 -2 32 9 -2 33 10 -1 34 11 -1 25 12 -1 13 14 1 13 24 2 14 17 1 15 19 1 15 25 1 16 20 1 16 26 1 17 27 1 18 21 1 18 29 1 19 33 1 20 32 1 21 31 1 22 23 1 22 30 1 23 34 1 25 28 1 26 27 -1 26 29 1 28 30 1 29 32 1 30 33 1 31 33 1 31 34 1 32 34 1 12 35 1 35 36 1 35 37 2', '37 40 H 16.57 -5.47 H 12.81 -11.36 H 14.11 -9.12 C 22.56 -7.76 C 24.39 -6.14 C 17.40 -3.85 C 10.79 -12.19 C 12.31 -12.24 C 16.59 -9.56 C 12.81 -7.40 C 15.33 -7.40 O 9.16 -11.03 C 22.06 -5.38 C 20.68 -5.67 C 10.35 -8.83 C 18.73 -7.40 C 19.73 -4.63 C 15.32 -5.98 C 11.58 -8.10 C 17.90 -8.52 C 14.08 -6.69 C 14.08 -10.99 C 15.32 -10.29 C 23.00 -6.44 C 10.35 -10.29 C 17.90 -6.26 C 18.34 -4.92 C 11.58 -10.99 C 16.57 -6.69 C 12.81 -10.29 C 14.08 -8.10 C 16.57 -8.10 C 12.81 -8.83 C 15.32 -8.83 C 7.93 -10.37 C 6.74 -11.11 O 7.95 -8.97 29 1 -1 30 2 -2 31 3 -2 4 24 1 5 24 1 27 6 2 28 7 -1 28 8 -2 32 9 -2 33 10 -1 34 11 -1 25 12 -1 13 14 1 13 24 2 14 17 1 15 19 1 15 25 1 16 20 1 16 26 1 17 27 1 18 21 1 18 29 1 19 33 1 20 32 1 21 31 1 22 23 1 22 30 1 23 34 1 25 28 1 26 27 -1 26 29 1 28 30 1 29 32 1 30 33 1 31 33 1 31 34 1 32 34 1 12 35 1 35 36 1 35 37 2', '37 40 H 16.57 -5.47 H 12.81 -11.36 H 14.11 -9.12 C:18 22.56 -7.76 C:26 24.39 -6.14 C:108 17.40 -3.85 C:16 10.79 -12.19 C:28 12.31 -12.24 C:17 16.59 -9.56 C:16 12.81 -7.40 C:16 15.33 -7.40 O 9.16 -11.03 C:125 22.06 -5.38 C:29 20.68 -5.67 C:24 10.35 -8.83 C:27 18.73 -7.40 C:34 19.73 -4.63 C:25 15.32 -5.98 C:38 11.58 -8.10 C:31 17.90 -8.52 C:21 14.08 -6.69 C:18 14.08 -10.99 C:35 15.32 -10.29 C:131 23.00 -6.44 C:81 10.35 -10.29 C:48 17.90 -6.26 C:153 18.34 -4.92 C:39 11.58 -10.99 C:45 16.57 -6.69 C:56 12.81 -10.29 C:51 14.08 -8.10 C:50 16.57 -8.10 C:37 12.81 -8.83 C:41 15.32 -8.83 C:171 7.93 -10.37 C:21 6.74 -11.11 O 7.95 -8.97 29 1 -1 30 2 -2 31 3 -2 4 24 1 5 24 1 27 6 2 28 7 -1 28 8 -2 32 9 -2 33 10 -1 34 11 -1 25 12 -1 13 14 1 13 24 2 14 17 1 15 19 1 15 25 1 16 20 1 16 26 1 17 27 1 18 21 1 18 29 1 19 33 1 20 32 1 21 31 1 22 23 1 22 30 1 23 34 1 25 28 1 26 27 -1 26 29 1 28 30 1 29 32 1 30 33 1 31 33 1 31 34 1 32 34 1 12 35 1 35 36 1 35 37 2', 'C32H52O2', 468.365, 'C', 'ph_27_2304_2b', 213, '', '', '3', 1, NULL, NULL),
(1992, '', '3a-Hydroxytirucalla-7,24-dien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]23[CH2:11][CH2:12][C@@:13]1([CH3:18])[C@H:17]([C@H:20]([CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[C:21](=O)O)[CH2:16][CH2:15][C@:14]1([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:28])([CH3:29])[C@H:3](O)[CH2:2][CH2:1][C@:10]34[CH3:19]', '[H][C@]23CC[C@@]1(C)[C@H]([C@H](CCC=C(C)C)C(=O)O)CC[C@]1(C)C2=CC[C@@]4([H])[C@@](C)(C)[C@H](O)CC[C@]34C', '[H][C@:49]23[CH2:17][CH2:31][C@@:43]1([CH3:12])[C@H:48]([C@H:48]([CH2:26][CH2:25][CH:124]=[C:131]([CH3:25])[CH3:17])[C:177](=O)O)[CH2:30][CH2:33][C@:50]1([CH3:26])[C:145]2=[CH:118][CH2:23][C@@:44]4([H])[C@@:37]([CH3:28])([CH3:22])[C@H:74](O)[CH2:26][CH2:32][C@:34]34[CH3:21]', '35 38 H 11.62 -12.06 H 12.91 -9.82 C:27 21.33 -8.47 C:26 23.15 -6.85 C:21 16.18 -4.57 C:29 9.59 -12.88 C:28 11.12 -12.93 C:18 15.36 -6.00 C:19 11.62 -8.11 C:30 15.38 -10.26 O 7.95 -11.70 C:23 19.46 -6.38 C:24 20.83 -6.09 C:22 18.50 -5.34 C:2 9.15 -9.53 C:16 17.51 -8.11 C:1 10.38 -8.81 C:15 16.68 -9.22 C:6 12.88 -11.69 C:7 14.11 -10.98 C:11 12.88 -7.40 C:12 14.11 -6.69 C:25 21.76 -7.15 C:20 17.12 -5.63 C:3 9.15 -10.98 C:17 16.68 -6.97 C:4 10.38 -11.69 C:5 11.62 -10.98 C:9 12.88 -8.81 C:8 14.11 -9.53 C:13 15.36 -7.40 C:10 11.62 -9.53 C:14 15.36 -8.81 O 16.63 -3.24 O 14.81 -4.82 28 1 -2 29 2 -2 3 23 1 4 23 1 24 5 -1 27 6 -1 27 7 -2 31 8 -2 32 9 -1 33 10 -1 25 11 -2 12 13 1 12 14 1 13 23 2 14 24 1 15 17 1 15 25 1 16 18 1 16 26 1 17 32 1 18 33 1 19 20 1 19 28 1 20 30 2 21 22 1 21 29 1 22 31 1 26 24 -2 25 27 1 26 31 1 27 28 1 28 32 1 29 30 1 29 32 1 30 33 1 31 33 1 5 34 2 5 35 1', '35 38 H 11.62 -12.06 H 12.91 -9.82 C 21.33 -8.47 C 23.15 -6.85 C 16.18 -4.57 C 9.59 -12.88 C 11.12 -12.93 C 15.36 -6.00 C 11.62 -8.11 C 15.38 -10.26 O 7.95 -11.70 C 19.46 -6.38 C 20.83 -6.09 C 18.50 -5.34 C 9.15 -9.53 C 17.51 -8.11 C 10.38 -8.81 C 16.68 -9.22 C 12.88 -11.69 C 14.11 -10.98 C 12.88 -7.40 C 14.11 -6.69 C 21.76 -7.15 C 17.12 -5.63 C 9.15 -10.98 C 16.68 -6.97 C 10.38 -11.69 C 11.62 -10.98 C 12.88 -8.81 C 14.11 -9.53 C 15.36 -7.40 C 11.62 -9.53 C 15.36 -8.81 O 16.63 -3.24 O 14.81 -4.82 28 1 -2 29 2 -2 3 23 1 4 23 1 24 5 -1 27 6 -1 27 7 -2 31 8 -2 32 9 -1 33 10 -1 25 11 -2 12 13 1 12 14 1 13 23 2 14 24 1 15 17 1 15 25 1 16 18 1 16 26 1 17 32 1 18 33 1 19 20 1 19 28 1 20 30 2 21 22 1 21 29 1 22 31 1 26 24 -2 25 27 1 26 31 1 27 28 1 28 32 1 29 30 1 29 32 1 30 33 1 31 33 1 5 34 2 5 35 1', '35 38 H 11.62 -12.06 H 12.91 -9.82 C:17 21.33 -8.47 C:25 23.15 -6.85 C:177 16.18 -4.57 C:22 9.59 -12.88 C:28 11.12 -12.93 C:12 15.36 -6.00 C:21 11.62 -8.11 C:26 15.38 -10.26 O 7.95 -11.70 C:25 19.46 -6.38 C:124 20.83 -6.09 C:26 18.50 -5.34 C:26 9.15 -9.53 C:30 17.51 -8.11 C:32 10.38 -8.81 C:33 16.68 -9.22 C:23 12.88 -11.69 C:118 14.11 -10.98 C:17 12.88 -7.40 C:31 14.11 -6.69 C:131 21.76 -7.15 C:48 17.12 -5.63 C:74 9.15 -10.98 C:48 16.68 -6.97 C:37 10.38 -11.69 C:44 11.62 -10.98 C:49 12.88 -8.81 C:145 14.11 -9.53 C:43 15.36 -7.40 C:34 11.62 -9.53 C:50 15.36 -8.81 O 16.63 -3.24 O 14.81 -4.82 28 1 -2 29 2 -2 3 23 1 4 23 1 24 5 -1 27 6 -1 27 7 -2 31 8 -2 32 9 -1 33 10 -1 25 11 -2 12 13 1 12 14 1 13 23 2 14 24 1 15 17 1 15 25 1 16 18 1 16 26 1 17 32 1 18 33 1 19 20 1 19 28 1 20 30 2 21 22 1 21 29 1 22 31 1 26 24 -2 25 27 1 26 31 1 27 28 1 28 32 1 29 30 1 29 32 1 30 33 1 31 33 1 5 34 2 5 35 1', 'C30H48O3', 456.335, 'P', 'ph27_2283_4', 778, '', '', '3', 1, NULL, NULL),
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(1994, 'Flindissone lactone', 'Tirucalla-7,24-dien-3,21-dione-21,23-oxide', 'Terpenoids', 'Triterpenoids', 'Tirucallanes', '[H][C@:9]34[CH2:11][CH2:12][C@@:13]2([CH3:18])[C@H:17]([CH:20]1[CH2:22][CH:23]([CH:24]=[C:25]([CH3:27])[CH3:26])O[C:21]1=O)[CH2:16][CH2:15][C@:14]2([CH3:30])[C:8]3=[CH:7][CH2:6][C@@:5]5([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[CH2:2][CH2:1][C@:10]45[CH3:19]', '[H][C@]34CC[C@@]2(C)[C@H](C1CC(C=C(C)C)OC1=O)CC[C@]2(C)C3=CC[C@@]5([H])[C@](C)(C)C(=O)CC[C@]45C', '[H][C@:49]34[CH2:17][CH2:35][C@@:44]2([CH3:13])[C@H:41]([CH:47]1[CH2:24][CH:75]([CH:123]=[C:139]([CH3:18])[CH3:26])O[C:179]1=O)[CH2:31][CH2:35][C@:50]2([CH3:28])[C:146]3=[CH:118][CH2:24][C@@:45]5([H])[C@:37]([CH3:23])([CH3:27])[C:76](=O)[CH2:25][CH2:31][C@:34]45[CH3:22]', '35 39 H 13.49 -10.06 H 12.19 -12.30 C:28 11.69 -13.17 C:29 10.16 -13.12 C:30 15.96 -10.50 C:18 15.94 -6.23 C:19 12.19 -8.35 O 8.52 -11.94 C:7 14.69 -11.22 C:2 9.72 -9.77 C:16 18.09 -8.35 C:6 13.46 -11.93 C:15 17.26 -9.46 C:1 10.95 -9.05 C:11 13.46 -7.63 C:12 14.69 -6.92 C:8 14.69 -9.77 C:3 9.72 -11.22 C:20 17.70 -5.86 C:17 17.26 -7.20 C:4 10.95 -11.93 C:9 13.46 -9.05 C:5 12.19 -11.22 C:14 15.94 -9.05 C:13 15.94 -7.63 C:10 12.19 -9.77 C:22 19.04 -5.43 C:23 19.04 -4.03 O 17.71 -3.60 C:21 16.88 -4.73 O 15.48 -4.72 C:24 20.18 -3.21 C:25 21.45 -3.79 C:26 22.60 -2.97 C:27 21.59 -5.18 22 1 -2 23 2 -2 21 3 -2 21 4 -1 24 5 -1 25 6 -2 26 7 -1 8 18 2 9 12 1 9 17 2 10 14 1 10 18 1 11 13 1 11 20 1 12 23 1 13 24 1 14 26 1 15 16 1 15 22 1 16 25 1 17 22 1 17 24 1 18 21 1 20 19 -2 20 25 1 21 23 1 22 26 1 23 26 1 24 25 1 27 28 1 28 29 1 29 30 1 19 30 1 19 27 1 30 31 2 28 32 1 32 33 2 33 34 1 33 35 1', '35 39 H 13.49 -10.06 H 12.19 -12.30 C 11.69 -13.17 C 10.16 -13.12 C 15.96 -10.50 C 15.94 -6.23 C 12.19 -8.35 O 8.52 -11.94 C 14.69 -11.22 C 9.72 -9.77 C 18.09 -8.35 C 13.46 -11.93 C 17.26 -9.46 C 10.95 -9.05 C 13.46 -7.63 C 14.69 -6.92 C 14.69 -9.77 C 9.72 -11.22 C 17.70 -5.86 C 17.26 -7.20 C 10.95 -11.93 C 13.46 -9.05 C 12.19 -11.22 C 15.94 -9.05 C 15.94 -7.63 C 12.19 -9.77 C 19.04 -5.43 C 19.04 -4.03 O 17.71 -3.60 C 16.88 -4.73 O 15.48 -4.72 C 20.18 -3.21 C 21.45 -3.79 C 22.60 -2.97 C 21.59 -5.18 22 1 -2 23 2 -2 21 3 -2 21 4 -1 24 5 -1 25 6 -2 26 7 -1 8 18 2 9 12 1 9 17 2 10 14 1 10 18 1 11 13 1 11 20 1 12 23 1 13 24 1 14 26 1 15 16 1 15 22 1 16 25 1 17 22 1 17 24 1 18 21 1 20 19 -2 20 25 1 21 23 1 22 26 1 23 26 1 24 25 1 27 28 1 28 29 1 29 30 1 19 30 1 19 27 1 30 31 2 28 32 1 32 33 2 33 34 1 33 35 1', '35 39 H 13.49 -10.06 H 12.19 -12.30 C:27 11.69 -13.17 C:23 10.16 -13.12 C:28 15.96 -10.50 C:13 15.94 -6.23 C:22 12.19 -8.35 O 8.52 -11.94 C:118 14.69 -11.22 C:25 9.72 -9.77 C:31 18.09 -8.35 C:24 13.46 -11.93 C:35 17.26 -9.46 C:31 10.95 -9.05 C:17 13.46 -7.63 C:35 14.69 -6.92 C:146 14.69 -9.77 C:76 9.72 -11.22 C:47 17.70 -5.86 C:41 17.26 -7.20 C:37 10.95 -11.93 C:49 13.46 -9.05 C:45 12.19 -11.22 C:50 15.94 -9.05 C:44 15.94 -7.63 C:34 12.19 -9.77 C:24 19.04 -5.43 C:75 19.04 -4.03 O 17.71 -3.60 C:179 16.88 -4.73 O 15.48 -4.72 C:123 20.18 -3.21 C:139 21.45 -3.79 C:26 22.60 -2.97 C:18 21.59 -5.18 22 1 -2 23 2 -2 21 3 -2 21 4 -1 24 5 -1 25 6 -2 26 7 -1 8 18 2 9 12 1 9 17 2 10 14 1 10 18 1 11 13 1 11 20 1 12 23 1 13 24 1 14 26 1 15 16 1 15 22 1 16 25 1 17 22 1 17 24 1 18 21 1 20 19 -2 20 25 1 21 23 1 22 26 1 23 26 1 24 25 1 27 28 1 28 29 1 29 30 1 19 30 1 19 27 1 30 31 2 28 32 1 32 33 2 33 34 1 33 35 1', 'C30H44O3', 452.335, 'C', 'ph27_2283_8', 778, '', '', '3', 1, NULL, NULL),
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8.50 -11.13 C:2004 7.30 -10.42 C:2002 9.72 -10.45 C:2 12.16 -9.08 C:2005 7.30 -9.02 C:2001 9.74 -9.05 C:17 19.64 -6.54 C:25 24.74 -6.71 C:4 13.39 -11.23 C:20 20.09 -5.21 C:10 14.61 -9.08 C:8 17.07 -9.08 C:13 18.30 -6.97 C:14 18.30 -8.39 C:9 15.84 -8.39 49 1 -2 50 2 -1 3 33 1 4 46 1 5 46 1 47 6 -2 47 7 -1 48 8 -2 51 9 -1 52 10 -2 53 11 -1 12 33 2 13 34 2 14 35 2 36 15 -2 16 25 1 38 17 -2 39 18 -1 40 19 -2 41 20 -2 48 21 -1 22 24 2 22 34 1 23 26 1 23 37 2 24 46 1 43 25 -1 26 50 1 27 35 1 27 51 1 28 38 1 28 52 1 29 42 1 29 49 1 42 30 -1 44 30 -1 31 43 1 31 44 1 32 33 1 32 46 1 34 48 1 35 53 1 36 42 1 36 47 1 37 47 1 37 49 1 38 45 1 39 40 1 39 41 1 40 43 1 41 44 1 45 48 -1 45 51 1 49 53 1 50 52 1 50 53 1 51 52 1', '53 57 H 14.61 -7.90 H 17.07 -7.90 C 26.18 -10.11 C 24.31 -8.07 C 26.12 -6.42 C 14.21 -12.38 C 12.65 -12.42 C 19.15 -4.15 C 18.33 -5.56 C 18.33 -9.78 C 15.82 -9.78 O 23.88 -9.37 O 21.92 -3.58 O 14.63 -6.27 O 10.96 -11.24 O 6.08 -6.92 O 21.88 -7.71 O 8.48 -12.53 O 6.09 -11.11 O 11.01 -9.89 O 20.69 -3.94 C 22.41 -5.95 C 15.84 -11.23 C 23.79 -5.66 C 6.09 -8.32 C 17.07 -10.52 C 17.07 -6.26 C 19.64 -8.82 C 13.39 -8.39 O 10.96 -8.37 O 8.54 -8.33 O 25.67 -7.75 C 25.24 -9.07 C 21.47 -4.91 C 15.84 -6.97 C 12.16 -10.52 C 14.61 -10.52 C 20.49 -7.69 C 8.50 -11.13 C 7.30 -10.42 C 9.72 -10.45 C 12.16 -9.08 C 7.30 -9.02 C 9.74 -9.05 C 19.64 -6.54 C 24.74 -6.71 C 13.39 -11.23 C 20.09 -5.21 C 14.61 -9.08 C 17.07 -9.08 C 18.30 -6.97 C 18.30 -8.39 C 15.84 -8.39 49 1 -2 50 2 -1 3 33 1 4 46 1 5 46 1 47 6 -2 47 7 -1 48 8 -2 51 9 -1 52 10 -2 53 11 -1 12 33 2 13 34 2 14 35 2 36 15 -2 16 25 1 38 17 -2 39 18 -1 40 19 -2 41 20 -2 48 21 -1 22 24 2 22 34 1 23 26 1 23 37 2 24 46 1 43 25 -1 26 50 1 27 35 1 27 51 1 28 38 1 28 52 1 29 42 1 29 49 1 42 30 -1 44 30 -1 31 43 1 31 44 1 32 33 1 32 46 1 34 48 1 35 53 1 36 42 1 36 47 1 37 47 1 37 49 1 38 45 1 39 40 1 39 41 1 40 43 1 41 44 1 45 48 -1 45 51 1 49 53 1 50 52 1 50 53 1 51 52 1', '53 57 H 14.61 -7.90 H 17.07 -7.90 C:22 26.18 -10.11 C:26 24.31 -8.07 C:27 26.12 -6.42 C:22 14.21 -12.38 C:30 12.65 -12.42 C:25 19.15 -4.15 C:20 18.33 -5.56 C:20 18.33 -9.78 C:19 15.82 -9.78 O 23.88 -9.37 O 21.92 -3.58 O 14.63 -6.27 O 10.96 -11.24 O 6.08 -6.92 O 21.88 -7.71 O 8.48 -12.53 O 6.09 -11.11 O 11.01 -9.89 O 20.69 -3.94 C:122 22.41 -5.95 C:119 15.84 -11.23 C:150 23.79 -5.66 C:63 6.09 -8.32 C:24 17.07 -10.52 C:49 17.07 -6.26 C:46 19.64 -8.82 C:34 13.39 -8.39 O 10.96 -8.37 O 8.54 -8.33 O 25.67 -7.75 C:170 25.24 -9.07 C:204 21.47 -4.91 C:213 15.84 -6.97 C:81 12.16 -10.52 C:142 14.61 -10.52 C:71 20.49 -7.69 C:78 8.50 -11.13 C:72 7.30 -10.42 C:76 9.72 -10.45 C:83 12.16 -9.08 C:78 7.30 -9.02 C:106 9.74 -9.05 C:60 19.64 -6.54 C:80 24.74 -6.71 C:43 13.39 -11.23 C:80 20.09 -5.21 C:43 14.61 -9.08 C:33 17.07 -9.08 C:49 18.30 -6.97 C:51 18.30 -8.39 C:49 15.84 -8.39 49 1 -2 50 2 -1 3 33 1 4 46 1 5 46 1 47 6 -2 47 7 -1 48 8 -2 51 9 -1 52 10 -2 53 11 -1 12 33 2 13 34 2 14 35 2 36 15 -2 16 25 1 38 17 -2 39 18 -1 40 19 -2 41 20 -2 48 21 -1 22 24 2 22 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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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21.56 -7.91 C:75 20.43 -12.86 C:74 20.33 -5.84 C:80 8.07 -7.36 C:78 17.98 -14.28 C:79 20.37 -8.64 C:66 8.07 -5.92 C:81 15.45 -1.66 C:106 19.21 -12.17 C:96 19.13 -6.54 C:36 16.68 -0.94 C:39 9.25 -8.06 C:42 14.23 -5.19 C:48 11.75 -5.19 C:49 10.48 -7.36 C:45 15.45 -3.10 C:41 12.99 -5.92 C:39 10.48 -5.92 C:47 16.68 -3.79 55 1 -2 56 2 -2 57 3 -1 52 4 -1 52 5 -2 53 6 -1 53 7 -2 54 8 -2 58 9 -1 59 10 -1 11 37 2 12 22 1 39 13 -1 40 14 -1 41 15 -2 42 16 -2 43 17 -2 44 18 -2 45 19 -2 49 20 -2 21 23 1 21 38 2 46 22 -1 23 55 1 24 28 1 24 52 1 25 29 1 25 54 1 26 27 1 26 56 1 27 58 1 28 60 1 29 60 1 30 32 1 47 30 -1 31 48 1 31 59 1 50 32 -1 48 33 -2 34 37 1 51 34 -1 35 46 1 35 50 1 36 47 1 36 51 1 60 37 -1 38 54 1 38 57 1 39 41 1 39 43 1 40 42 1 40 44 1 41 46 1 42 47 1 43 50 1 44 51 1 45 48 1 45 53 1 49 52 1 49 57 1 53 56 1 54 58 1 55 58 1 55 59 1 56 59 1 57 60 1', 'C42H68O15', 812.464, 'P', 'ph_54_751_2', 478, '', '', '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
(2012, 'Rivalosides E', '3-O-b-D-glucuronopyranosyl-24-hydroxy-olean-12-en-28-oic acid 28-O-b-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@@:18]13[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]1([C:28](=O)O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:16][CH2:15][C@:14]4([CH3:27])[C:13]3=[CH:12][CH2:11][C@@:9]6([H])[C@@:8]4([CH3:26])[CH2:7][CH2:6][C@@:5]7([H])[C@@:4]([CH3:23])([CH2:24]O)[C@@H:3](O[C@@H:201]5O[C@H:205]([C:206](=O)O)[C@@H:204](O)[C@H:203](O)[C@H:202]5O)[CH2:2][CH2:1][C@:10]67[CH3:25]', '[H][C@@]13C[C@](C)(C)CC[C@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]4(C)C3=CC[C@@]6([H])[C@@]4(C)CC[C@@]7([H])[C@@](C)(CO)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]67C', '[H][C@@:42]13[CH2:46][C@:31]([CH3:24])([CH3:33])[CH2:34][CH2:33][C@:47]1([C:177](=O)O[C@@H:96]2O[C@H:78]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]2O)[CH2:24][CH2:29][C@:42]4([CH3:26])[C:144]3=[CH:123][CH2:24][C@@:48]6([H])[C@@:40]4([CH3:18])[CH2:34][CH2:19][C@@:56]7([H])[C@@:45]([CH3:24])([CH2:63]O)[C@@H:89](O[C@@H:107]5O[C@H:78]([C:173](=O)O)[C@@H:74](O)[C@H:78](O)[C@H:75]5O)[CH2:27][CH2:39][C@:37]67[CH3:16]', '60 66 H 14.19 -9.01 H 12.89 -11.25 H 17.86 -7.17 C:29 19.92 -2.58 C:30 18.29 -2.57 C:23 12.38 -12.13 C:24 10.91 -12.08 C:27 16.66 -9.45 C:26 15.41 -7.30 C:25 12.89 -7.30 O 21.52 -6.56 O 25.16 -8.60 O 25.20 -11.41 O 22.74 -7.24 C:12 15.40 -5.90 C:11 14.16 -6.59 C:21 20.33 -4.46 C:15 17.86 -8.73 C:6 14.16 -10.87 C:7 15.40 -10.17 C:22 20.33 -5.90 C:16 19.09 -8.00 C:106 22.82 -12.85 C:1 11.66 -8.00 O 21.63 -13.58 O 20.31 -8.68 O 21.57 -10.75 C:28 20.31 -7.28 C:13 16.64 -6.59 C:103 23.96 -9.32 C:104 23.98 -10.72 C:102 22.75 -8.65 C:3 10.48 -10.17 C:105 22.79 -11.45 C:2 10.48 -8.73 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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
(2023, 'Cabraleadio', '', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]34[CH2:12][CH2:11][C@:9]2([H])[C@@:10]1([CH3:19])[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]1([H])[CH2:6][CH2:7][C@@:8]2([CH3:18])[C@:14]3([CH3:30])[CH2:15][CH2:16][C@@H:17]4[C@:20]5([CH3:21])[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:26])([CH3:27])O)O5', '[H][C@]34CC[C@]2([H])[C@@]1(C)CC[C@@H](O)[C@](C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@@H]4[C@]5(C)CC[C@@H](C(C)(C)O)O5', '[H][C@:43]34[CH2:27][CH2:22][C@:51]2([H])[C@@:37]1([CH3:16])[CH2:34][CH2:25][C@@H:76](O)[C@:38]([CH3:28])([CH3:22])[C@:50]1([H])[CH2:18][CH2:35][C@@:41]2([CH3:16])[C@:50]3([CH3:17])[CH2:31][CH2:26][C@@H:50]4[C@:87]5([CH3:27])[CH2:35][CH2:26][C@@H:86]([C:70]([CH3:24])([CH3:28])O)O5', '36 40 H 19.86 -8.95 H 16.06 -14.76 H 17.35 -12.48 C:27 24.11 -4.38 C:26 25.48 -6.40 C:29 14.02 -15.58 C:28 15.52 -15.64 C:21 20.27 -8.19 C:30 19.88 -12.92 C:18 18.58 -10.77 O 25.36 -4.99 C:23 21.76 -6.07 C:16 22.07 -10.77 C:22 20.89 -7.18 C:15 21.21 -11.87 C:12 18.57 -9.32 C:11 17.32 -10.04 C:6 17.32 -14.38 C:7 18.57 -13.66 C:2 13.58 -12.18 C:1 14.81 -11.46 C:19 16.06 -10.77 O 23.02 -7.94 C:24 23.05 -6.56 C:17 21.21 -9.61 C:25 24.22 -5.78 C:4 14.81 -14.38 C:20 21.71 -8.31 C:13 19.86 -10.04 C:5 16.06 -13.66 C:9 17.32 -11.46 C:14 19.86 -11.46 C:8 18.57 -12.18 C:3 13.58 -13.66 C:10 16.06 -12.18 O 12.39 -14.40 29 1 -1 30 2 -2 31 3 -2 4 26 1 5 26 1 27 6 -1 27 7 -2 28 8 -1 32 9 -2 33 10 -1 11 26 1 12 14 1 12 24 1 13 15 1 13 25 1 14 28 1 15 32 1 16 17 1 16 29 1 17 31 1 18 19 1 18 30 1 19 33 1 20 21 1 20 34 1 21 35 1 35 22 -1 23 24 1 23 28 1 24 26 -1 25 28 -1 25 29 1 27 30 1 27 34 1 29 32 1 30 35 1 31 33 1 31 35 1 32 33 1 34 36 -2', '36 40 H 19.86 -8.95 H 16.06 -14.76 H 17.35 -12.48 C 24.11 -4.38 C 25.48 -6.40 C 14.02 -15.58 C 15.52 -15.64 C 20.27 -8.19 C 19.88 -12.92 C 18.58 -10.77 O 25.36 -4.99 C 21.76 -6.07 C 22.07 -10.77 C 20.89 -7.18 C 21.21 -11.87 C 18.57 -9.32 C 17.32 -10.04 C 17.32 -14.38 C 18.57 -13.66 C 13.58 -12.18 C 14.81 -11.46 C 16.06 -10.77 O 23.02 -7.94 C 23.05 -6.56 C 21.21 -9.61 C 24.22 -5.78 C 14.81 -14.38 C 21.71 -8.31 C 19.86 -10.04 C 16.06 -13.66 C 17.32 -11.46 C 19.86 -11.46 C 18.57 -12.18 C 13.58 -13.66 C 16.06 -12.18 O 12.39 -14.40 29 1 -1 30 2 -2 31 3 -2 4 26 1 5 26 1 27 6 -1 27 7 -2 28 8 -1 32 9 -2 33 10 -1 11 26 1 12 14 1 12 24 1 13 15 1 13 25 1 14 28 1 15 32 1 16 17 1 16 29 1 17 31 1 18 19 1 18 30 1 19 33 1 20 21 1 20 34 1 21 35 1 35 22 -1 23 24 1 23 28 1 24 26 -1 25 28 -1 25 29 1 27 30 1 27 34 1 29 32 1 30 35 1 31 33 1 31 35 1 32 33 1 34 36 -2', '36 40 H 19.86 -8.95 H 16.06 -14.76 H 17.35 -12.48 C:28 24.11 -4.38 C:24 25.48 -6.40 C:22 14.02 -15.58 C:28 15.52 -15.64 C:27 20.27 -8.19 C:17 19.88 -12.92 C:16 18.58 -10.77 O 25.36 -4.99 C:26 21.76 -6.07 C:26 22.07 -10.77 C:35 20.89 -7.18 C:31 21.21 -11.87 C:27 18.57 -9.32 C:22 17.32 -10.04 C:18 17.32 -14.38 C:35 18.57 -13.66 C:25 13.58 -12.18 C:34 14.81 -11.46 C:16 16.06 -10.77 O 23.02 -7.94 C:86 23.05 -6.56 C:50 21.21 -9.61 C:70 24.22 -5.78 C:38 14.81 -14.38 C:87 21.71 -8.31 C:43 19.86 -10.04 C:50 16.06 -13.66 C:51 17.32 -11.46 C:50 19.86 -11.46 C:41 18.57 -12.18 C:76 13.58 -13.66 C:37 16.06 -12.18 O 12.39 -14.40 29 1 -1 30 2 -2 31 3 -2 4 26 1 5 26 1 27 6 -1 27 7 -2 28 8 -1 32 9 -2 33 10 -1 11 26 1 12 14 1 12 24 1 13 15 1 13 25 1 14 28 1 15 32 1 16 17 1 16 29 1 17 31 1 18 19 1 18 30 1 19 33 1 20 21 1 20 34 1 21 35 1 35 22 -1 23 24 1 23 28 1 24 26 -1 25 28 -1 25 29 1 27 30 1 27 34 1 29 32 1 30 35 1 31 33 1 31 35 1 32 33 1 34 36 -2', 'C30H52O3', 460.343, 'C', 'ph_46_1139_3', 1614, '', '', '1', 1, NULL, NULL),
(2024, 'Bacoside A1', '3-beta-[O-beta-D-glucopyranosyl(1-->3)-O-[alpha-L-arabinofuranosy(1-->2) ]-O-beta-D-glucopyranosyl)oxy]jujubogenin', 'Terpenoids', 'Triterpenoids', 'Dammaranes', '[H][C@:13]68[CH2:12][CH2:11][C@:9]5([H])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[C@H:102]2O[C@@H:301]3O[C@@H:304]([CH2:305]O)[C@H:303](O)[C@H:302]3O)[C@:4]([CH3:28])([CH3:29])[C@:5]4([H])[CH2:6][CH2:7][C@@:8]5([CH3:18])[C@@:14]67[CH2:30]O[C@@:16]9([CH2:15]7)O[CH:23]([CH:24]=[C:25]([CH3:27])[CH3:26])[CH2:22][C@:20]([CH3:21])(O)[CH:17]89', '[H][C@]68CC[C@]5([H])[C@@]4(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@](C)(C)[C@]4([H])CC[C@@]5(C)[C@@]67CO[C@@]9(C7)OC(C=C(C)C)C[C@](C)(O)C89', '[H][C@:38]68[CH2:29][CH2:23][C@:54]5([H])[C@@:38]4([CH3:17])[CH2:40][CH2:21][C@H:91](O[C@@H:104]2O[C@H:78]([CH2:63]O)[C@@H:70](O)[C@H:84](O[C@@H:106]1O[C@H:72]([CH2:63]O)[C@@H:72](O)[C@H:77](O)[C@H:76]1O)[C@H:78]2O[C@@H:110]3O[C@@H:87]([CH2:62]O)[C@H:80](O)[C@H:84]3O)[C@:41]([CH3:28])([CH3:17])[C@:58]4([H])[CH2:19][CH2:37][C@@:39]5([CH3:19])[C@@:55]67[CH2:67]O[C@@:111]9([CH2:37]7)O[CH:70]([CH:126]=[C:137]([CH3:26])[CH3:18])[CH2:45][C@:69]([CH3:30])(O)[CH:54]89', '68 76 H 23.68 -5.60 H 20.03 -11.34 H 21.29 -9.15 C:26 29.29 -8.29 C:27 31.20 -6.89 C:21 24.18 -5.27 C:29 18.06 -12.15 C:28 19.54 -12.20 C:19 20.03 -7.48 C:18 22.47 -7.48 O 16.48 -11.02 C:24 29.03 -5.94 C:2 17.63 -8.87 C:1 18.82 -8.16 C:12 22.46 -6.10 C:11 21.27 -6.79 C:6 21.27 -10.98 C:7 22.46 -10.30 C:30 23.70 -9.58 C:15 24.97 -8.57 C:22 26.88 -4.98 O 26.55 -8.60 O 27.13 -7.33 C:3 17.63 -10.30 C:17 24.97 -6.37 C:23 27.68 -6.09 C:25 29.84 -7.04 C:20 25.54 -5.12 C:4 18.82 -10.98 C:13 23.68 -6.79 C:5 20.03 -10.30 C:9 21.27 -8.16 C:10 20.03 -8.87 C:8 22.46 -8.87 C:16 25.79 -7.48 C:14 23.68 -8.16 C:101 15.24 -10.36 O 15.19 -8.96 C:105 13.95 -8.30 C:104 12.77 -9.05 C:103 12.82 -10.45 C:102 14.05 -11.10 O 14.10 -12.50 O 11.63 -11.19 O 11.53 -8.39 C:106 13.90 -6.91 O 15.09 -6.16 C:301 12.92 -13.24 C:201 10.39 -10.53 O 10.34 -9.13 C:205 9.11 -8.48 C:204 7.92 -9.22 C:203 7.97 -10.62 C:202 9.21 -11.28 O 9.26 -12.67 O 6.78 -11.36 O 6.68 -8.56 C:206 9.06 -7.08 O 10.24 -6.34 O 11.62 -12.72 C:304 10.72 -13.79 C:303 11.46 -14.98 C:302 12.82 -14.64 O 13.89 -15.54 O 10.94 -16.29 C:305 9.32 -13.70 O 8.59 -14.89 O 25.61 -3.72 30 1 -1 31 2 -2 32 3 -2 4 27 1 5 27 1 28 6 -2 29 7 -1 29 8 -2 33 9 -1 34 10 -1 24 11 -1 12 26 1 12 27 2 13 14 1 13 24 1 14 33 1 15 16 1 15 30 1 16 32 1 17 18 1 17 31 1 18 34 1 19 22 1 36 19 -2 20 35 1 20 36 1 21 26 1 21 28 1 35 22 -2 23 26 1 23 35 1 24 29 1 25 28 1 25 30 1 25 35 1 29 31 1 30 36 1 31 33 1 32 33 1 32 34 1 34 36 1 37 11 -1 38 39 1 39 40 1 40 41 1 41 42 1 37 42 1 37 38 1 42 43 -2 41 44 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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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