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
(18561, 'Turrapubesol C', '', 'Terpenoids', 'Triterpenoids', 'Apotirucallanes', '[H][C@:20]6([C@:17]1([H])[CH2:16][CH:15]=[C:14]4[C@@:13]1([CH3:18])[CH2:12][CH2:11][C@:9]5([H])[C@@:10]2([CH3:19])[CH:1]=[CH:2][C:3](=O)[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][C@@H:7](O[C:7001](=O)[CH2:7002][c:7003]3[cH:7008][cH:7007][cH:7006][cH:7005][cH:7004]3)[C@@:8]45[CH3:30])[CH2:21]O[C@@:25]([CH3:27])([CH3:26])[C@@H:24](O)[C@H:23](O)[CH2:22]6', '[H][C@]6([C@]1([H])CC=C4[C@@]1(C)CC[C@]5([H])[C@@]2(C)C=CC(=O)[C@](C)(C)[C@]2([H])C[C@@H](OC(=O)Cc3ccccc3)[C@@]45C)CO[C@@](C)(C)[C@@H](O)[C@H](O)C6', '[H][C@:36]6([C@:54]1([H])[CH2:35][CH:119]=[C:159]4[C@@:46]1([CH3:20])[CH2:34][CH2:17][C@:38]5([H])[C@@:40]2([CH3:19])[CH:158]=[CH:125][C:205](=O)[C@:44]([CH3:27])([CH3:21])[C@:46]2([H])[CH2:24][C@@H:75](O[C:171](=O)[CH2:42][c:134]3[cH:129][cH:129][cH:127][cH:129][cH:129]3)[C@@:43]45[CH3:27])[CH2:64]O[C@@:76]([CH3:26])([CH3:22])[C@@H:81](O)[C@H:68](O)[CH2:38]6', '48 53 H 20.75 -8.10 H 19.44 -9.67 H 15.84 -11.65 H 14.52 -13.87 C:27 21.00 -2.96 C:26 19.64 -3.15 C:28 14.02 -14.82 C:29 12.44 -14.82 C:18 18.39 -7.72 C:19 14.52 -9.89 C:30 17.13 -9.89 O 17.13 -15.69 O 10.79 -13.57 O 23.66 -6.15 O 22.77 -3.69 C:2 11.99 -11.36 C:15 19.73 -11.05 C:1 13.27 -10.60 C:7006 19.54 -19.83 C:7007 18.33 -19.13 C:7005 20.75 -19.13 C:7008 18.33 -17.73 C:7004 20.75 -17.73 C:16 20.56 -9.89 C:12 17.13 -8.40 C:11 15.84 -9.15 C:7002 19.54 -15.64 C:21 19.17 -6.40 C:22 21.55 -7.18 C:6 15.84 -13.57 O 19.30 -5.01 O 18.33 -13.57 C:7001 18.33 -14.97 C:3 11.99 -12.86 C:14 18.33 -10.60 C:7003 19.54 -17.03 C:23 22.28 -6.00 C:24 21.80 -4.70 C:7 17.13 -12.86 C:25 20.48 -4.26 C:4 13.27 -13.57 C:20 20.18 -7.36 C:13 18.33 -9.15 C:10 14.52 -11.36 C:17 19.73 -8.71 C:9 15.84 -10.60 C:5 14.52 -12.86 C:8 17.13 -11.36 42 1 -2 45 2 -1 46 3 -2 47 4 -2 40 5 -2 40 6 -1 41 7 -2 41 8 -1 43 9 -2 44 10 -1 48 11 -1 12 33 2 13 34 2 37 14 -2 38 15 -1 16 18 2 16 34 1 17 24 1 17 35 2 18 44 1 19 20 1 19 21 2 20 22 2 21 23 1 22 36 1 23 36 2 24 45 1 25 26 1 25 43 1 26 46 1 27 33 1 27 36 1 28 31 1 28 42 1 29 37 1 29 42 1 30 39 1 30 47 1 31 40 1 32 33 1 39 32 -2 34 41 1 35 43 1 35 48 1 37 38 1 38 40 1 39 48 1 41 47 1 42 45 1 43 45 1 44 46 1 44 47 1 46 48 1', '48 53 H 20.75 -8.10 H 19.44 -9.67 H 15.84 -11.65 H 14.52 -13.87 C 21.00 -2.96 C 19.64 -3.15 C 14.02 -14.82 C 12.44 -14.82 C 18.39 -7.72 C 14.52 -9.89 C 17.13 -9.89 O 17.13 -15.69 O 10.79 -13.57 O 23.66 -6.15 O 22.77 -3.69 C 11.99 -11.36 C 19.73 -11.05 C 13.27 -10.60 C 19.54 -19.83 C 18.33 -19.13 C 20.75 -19.13 C 18.33 -17.73 C 20.75 -17.73 C 20.56 -9.89 C 17.13 -8.40 C 15.84 -9.15 C 19.54 -15.64 C 19.17 -6.40 C 21.55 -7.18 C 15.84 -13.57 O 19.30 -5.01 O 18.33 -13.57 C 18.33 -14.97 C 11.99 -12.86 C 18.33 -10.60 C 19.54 -17.03 C 22.28 -6.00 C 21.80 -4.70 C 17.13 -12.86 C 20.48 -4.26 C 13.27 -13.57 C 20.18 -7.36 C 18.33 -9.15 C 14.52 -11.36 C 19.73 -8.71 C 15.84 -10.60 C 14.52 -12.86 C 17.13 -11.36 42 1 -2 45 2 -1 46 3 -2 47 4 -2 40 5 -2 40 6 -1 41 7 -2 41 8 -1 43 9 -2 44 10 -1 48 11 -1 12 33 2 13 34 2 37 14 -2 38 15 -1 16 18 2 16 34 1 17 24 1 17 35 2 18 44 1 19 20 1 19 21 2 20 22 2 21 23 1 22 36 1 23 36 2 24 45 1 25 26 1 25 43 1 26 46 1 27 33 1 27 36 1 28 31 1 28 42 1 29 37 1 29 42 1 30 39 1 30 47 1 31 40 1 32 33 1 39 32 -2 34 41 1 35 43 1 35 48 1 37 38 1 38 40 1 39 48 1 41 47 1 42 45 1 43 45 1 44 46 1 44 47 1 46 48 1', '48 53 H 20.75 -8.10 H 19.44 -9.67 H 15.84 -11.65 H 14.52 -13.87 C:26 21.00 -2.96 C:22 19.64 -3.15 C:27 14.02 -14.82 C:21 12.44 -14.82 C:20 18.39 -7.72 C:19 14.52 -9.89 C:27 17.13 -9.89 O 17.13 -15.69 O 10.79 -13.57 O 23.66 -6.15 O 22.77 -3.69 C:125 11.99 -11.36 C:119 19.73 -11.05 C:158 13.27 -10.60 C:127 19.54 -19.83 C:129 18.33 -19.13 C:129 20.75 -19.13 C:129 18.33 -17.73 C:129 20.75 -17.73 C:35 20.56 -9.89 C:34 17.13 -8.40 C:17 15.84 -9.15 C:42 19.54 -15.64 C:64 19.17 -6.40 C:38 21.55 -7.18 C:24 15.84 -13.57 O 19.30 -5.01 O 18.33 -13.57 C:171 18.33 -14.97 C:205 11.99 -12.86 C:159 18.33 -10.60 C:134 19.54 -17.03 C:68 22.28 -6.00 C:81 21.80 -4.70 C:75 17.13 -12.86 C:76 20.48 -4.26 C:44 13.27 -13.57 C:36 20.18 -7.36 C:46 18.33 -9.15 C:40 14.52 -11.36 C:54 19.73 -8.71 C:38 15.84 -10.60 C:46 14.52 -12.86 C:43 17.13 -11.36 42 1 -2 45 2 -1 46 3 -2 47 4 -2 40 5 -2 40 6 -1 41 7 -2 41 8 -1 43 9 -2 44 10 -1 48 11 -1 12 33 2 13 34 2 37 14 -2 38 15 -1 16 18 2 16 34 1 17 24 1 17 35 2 18 44 1 19 20 1 19 21 2 20 22 2 21 23 1 22 36 1 23 36 2 24 45 1 25 26 1 25 43 1 26 46 1 27 33 1 27 36 1 28 31 1 28 42 1 29 37 1 29 42 1 30 39 1 30 47 1 31 40 1 32 33 1 39 32 -2 34 41 1 35 43 1 35 48 1 37 38 1 38 40 1 39 48 1 41 47 1 42 45 1 43 45 1 44 46 1 44 47 1 46 48 1', 'C38H52O6', 604.435, 'C', 'hca08_510_3', 4672, '', '', '1', 1, NULL, NULL),
(18562, '1a,4a-Dihydroxyeudesman-11-en', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[CH2:6][C@H:7]([C:11](=[CH2:12])[CH3:13])[CH2:8][CH2:9][C@@:10]1([CH3:14])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]2([CH3:15])O', '[H][C@@]12C[C@H](C(=C)C)CC[C@@]1(C)[C@@H](O)CC[C@@]2(C)O', '[H][C@@:49]12[CH2:28][C@H:48]([C:152](=[CH2:109])[CH3:22])[CH2:29][CH2:39][C@@:41]1([CH3:20])[C@@H:75](O)[CH2:29][CH2:38][C@@:73]2([CH3:23])O', '18 19 H 16.04 -13.13 C:12 19.72 -14.23 C:13 20.94 -12.13 C:15 15.63 -14.05 C:14 16.04 -9.27 O 14.78 -8.57 O 14.13 -14.05 C:2 13.56 -10.70 C:8 18.50 -10.70 C:3 13.56 -12.13 C:9 17.27 -9.98 C:6 17.27 -12.83 C:11 19.72 -12.83 C:1 14.81 -9.98 C:7 18.50 -12.13 C:4 14.81 -12.83 C:5 16.04 -12.13 C:10 16.04 -10.70 17 1 -2 2 13 2 3 13 1 16 4 -1 18 5 -1 14 6 -2 16 7 -2 8 10 1 8 14 1 9 11 1 9 15 1 10 16 1 11 18 1 12 15 1 12 17 1 15 13 -1 14 18 1 16 17 1 17 18 1', '18 19 H 16.04 -13.13 C 19.72 -14.23 C 20.94 -12.13 C 15.63 -14.05 C 16.04 -9.27 O 14.78 -8.57 O 14.13 -14.05 C 13.56 -10.70 C 18.50 -10.70 C 13.56 -12.13 C 17.27 -9.98 C 17.27 -12.83 C 19.72 -12.83 C 14.81 -9.98 C 18.50 -12.13 C 14.81 -12.83 C 16.04 -12.13 C 16.04 -10.70 17 1 -2 2 13 2 3 13 1 16 4 -1 18 5 -1 14 6 -2 16 7 -2 8 10 1 8 14 1 9 11 1 9 15 1 10 16 1 11 18 1 12 15 1 12 17 1 15 13 -1 14 18 1 16 17 1 17 18 1', '18 19 H 16.04 -13.13 C:109 19.72 -14.23 C:22 20.94 -12.13 C:23 15.63 -14.05 C:20 16.04 -9.27 O 14.78 -8.57 O 14.13 -14.05 C:29 13.56 -10.70 C:29 18.50 -10.70 C:38 13.56 -12.13 C:39 17.27 -9.98 C:28 17.27 -12.83 C:152 19.72 -12.83 C:75 14.81 -9.98 C:48 18.50 -12.13 C:73 14.81 -12.83 C:49 16.04 -12.13 C:41 16.04 -10.70 17 1 -2 2 13 2 3 13 1 16 4 -1 18 5 -1 14 6 -2 16 7 -2 8 10 1 8 14 1 9 11 1 9 15 1 10 16 1 11 18 1 12 15 1 12 17 1 15 13 -1 14 18 1 16 17 1 17 18 1', 'C15H26O2', 238.167, 'M', 'hca08_510_4', 4672, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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'[H][C@@:56]12[CH2:39][C:193](=O)[C:148](O[CH3:60])=[C:154]([CH3:12])[C@@:44]1([CH3:18])[CH2:46][C@@H:65](O[C:170]([CH3:20])=O)[C@@:56]3([H])[C@@:42]2([CH2:65]O[C:171]([CH3:21])=O)[C@@H:82](O[C:170]([CH3:20])=O)[C@H:44]([CH3:14])[C@:55]37[C:135]([CH3:24])=[CH:127][C@H:69](O[C:166](=O)[c:129]4[cH:130][cH:129][cH:134][cH:129][cH:130]4)[C@@:48]6([CH3:16])[C@@H:73](O[C:166](=O)[c:129]5[cH:130][cH:128][cH:134][cH:128][cH:130]5)[C@@H:72](O[C:170]([CH3:20])=O)[C@:47]8([CH3:21])[CH2:44][C@@:90]67O[C:176]8=O', '71 78 H 13.19 -11.90 H 15.64 -11.73 C:3001 8.32 -14.15 C:25002 12.01 -7.80 C:7002 17.27 -17.46 C:21002 22.60 -7.02 C:11002 13.28 -7.27 C:27 16.69 -14.43 C:23 11.98 -16.27 C:26 16.21 -9.20 C:29 16.83 -7.58 C:24 13.19 -15.58 C:28 20.16 -11.38 O 10.76 -9.90 O 14.93 -16.88 O 20.81 -5.37 O 15.60 -8.02 O 9.53 -12.05 O 20.16 -15.07 O 21.60 -7.97 O 19.66 -6.35 C:15 18.38 -13.44 C:16005 25.19 -14.89 C:22005 26.13 -10.12 C:16006 24.76 -13.56 C:16004 24.24 -15.93 C:22004 25.68 -8.80 C:22006 25.19 -11.18 C:16007 23.39 -13.27 C:16003 22.87 -15.64 C:22003 24.31 -8.52 C:22007 23.83 -10.90 C:25 13.19 -11.33 C:1 11.98 -12.05 C:6 14.42 -14.85 C:19 17.11 -9.51 O 9.53 -14.85 O 13.22 -9.90 O 16.64 -15.13 O 20.31 -7.74 O 13.79 -9.65 O 20.65 -12.69 O 21.14 -10.35 O 18.56 -9.90 C:25001 12.01 -9.20 C:7001 16.29 -16.49 C:21001 21.25 -6.71 C:11001 14.23 -8.31 C:14 17.04 -13.13 C:2 10.76 -12.75 C:4 11.98 -14.85 C:16001 21.09 -14.03 C:22001 22.05 -9.30 C:30 18.56 -7.17 C:3 10.76 -14.15 C:16002 22.44 -14.32 C:22002 23.39 -9.57 C:12 16.07 -10.54 C:16 19.28 -12.41 C:7 15.64 -14.15 C:21 19.36 -8.77 C:22 19.76 -10.06 C:11 14.71 -10.69 C:20 18.03 -8.49 C:5 13.19 -14.15 C:10 13.19 -12.75 C:8 15.64 -12.75 C:17 18.86 -11.07 C:18 17.54 -10.78 C:9 14.42 -12.05 C:13 16.64 -11.81 66 1 -2 67 2 -2 3 37 1 4 45 1 5 46 1 6 47 1 7 48 1 8 49 1 9 51 1 58 10 -2 64 11 -1 65 12 -1 68 13 -1 14 45 2 15 46 2 16 47 2 17 48 2 18 50 2 19 52 2 20 53 2 21 54 2 22 49 2 22 59 1 23 25 2 23 26 1 24 27 2 24 28 1 25 29 1 26 30 2 27 31 1 28 32 2 29 56 2 30 56 1 31 57 2 32 57 1 33 38 1 70 33 -1 34 50 1 34 66 1 35 60 1 35 65 1 36 64 1 36 69 1 37 55 1 38 45 1 39 46 1 60 39 -2 40 47 1 61 40 -2 41 48 1 63 41 -1 42 52 1 59 42 -1 43 53 1 62 43 -2 44 54 1 69 44 -2 71 49 -2 50 55 1 51 55 2 51 65 1 52 56 1 53 57 1 64 54 -2 58 63 1 58 71 1 59 68 1 60 67 1 61 62 1 61 64 1 62 68 1 63 70 1 65 66 1 66 70 1 67 70 1 67 71 1 68 69 1 71 69 -1', '71 78 H 13.19 -11.90 H 15.64 -11.73 C 8.32 -14.15 C 12.01 -7.80 C 17.27 -17.46 C 22.60 -7.02 C 13.28 -7.27 C 16.69 -14.43 C 11.98 -16.27 C 16.21 -9.20 C 16.83 -7.58 C 13.19 -15.58 C 20.16 -11.38 O 10.76 -9.90 O 14.93 -16.88 O 20.81 -5.37 O 15.60 -8.02 O 9.53 -12.05 O 20.16 -15.07 O 21.60 -7.97 O 19.66 -6.35 C 18.38 -13.44 C 25.19 -14.89 C 26.13 -10.12 C 24.76 -13.56 C 24.24 -15.93 C 25.68 -8.80 C 25.19 -11.18 C 23.39 -13.27 C 22.87 -15.64 C 24.31 -8.52 C 23.83 -10.90 C 13.19 -11.33 C 11.98 -12.05 C 14.42 -14.85 C 17.11 -9.51 O 9.53 -14.85 O 13.22 -9.90 O 16.64 -15.13 O 20.31 -7.74 O 13.79 -9.65 O 20.65 -12.69 O 21.14 -10.35 O 18.56 -9.90 C 12.01 -9.20 C 16.29 -16.49 C 21.25 -6.71 C 14.23 -8.31 C 17.04 -13.13 C 10.76 -12.75 C 11.98 -14.85 C 21.09 -14.03 C 22.05 -9.30 C 18.56 -7.17 C 10.76 -14.15 C 22.44 -14.32 C 23.39 -9.57 C 16.07 -10.54 C 19.28 -12.41 C 15.64 -14.15 C 19.36 -8.77 C 19.76 -10.06 C 14.71 -10.69 C 18.03 -8.49 C 13.19 -14.15 C 13.19 -12.75 C 15.64 -12.75 C 18.86 -11.07 C 17.54 -10.78 C 14.42 -12.05 C 16.64 -11.81 66 1 -2 67 2 -2 3 37 1 4 45 1 5 46 1 6 47 1 7 48 1 8 49 1 9 51 1 58 10 -2 64 11 -1 65 12 -1 68 13 -1 14 45 2 15 46 2 16 47 2 17 48 2 18 50 2 19 52 2 20 53 2 21 54 2 22 49 2 22 59 1 23 25 2 23 26 1 24 27 2 24 28 1 25 29 1 26 30 2 27 31 1 28 32 2 29 56 2 30 56 1 31 57 2 32 57 1 33 38 1 70 33 -1 34 50 1 34 66 1 35 60 1 35 65 1 36 64 1 36 69 1 37 55 1 38 45 1 39 46 1 60 39 -2 40 47 1 61 40 -2 41 48 1 63 41 -1 42 52 1 59 42 -1 43 53 1 62 43 -2 44 54 1 69 44 -2 71 49 -2 50 55 1 51 55 2 51 65 1 52 56 1 53 57 1 64 54 -2 58 63 1 58 71 1 59 68 1 60 67 1 61 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C:148 10.76 -14.15 C:129 22.44 -14.32 C:129 23.39 -9.57 C:44 16.07 -10.54 C:69 19.28 -12.41 C:65 15.64 -14.15 C:72 19.36 -8.77 C:73 19.76 -10.06 C:82 14.71 -10.69 C:47 18.03 -8.49 C:44 13.19 -14.15 C:56 13.19 -12.75 C:56 15.64 -12.75 C:48 18.86 -11.07 C:90 17.54 -10.78 C:42 14.42 -12.05 C:55 16.64 -11.81 66 1 -2 67 2 -2 3 37 1 4 45 1 5 46 1 6 47 1 7 48 1 8 49 1 9 51 1 58 10 -2 64 11 -1 65 12 -1 68 13 -1 14 45 2 15 46 2 16 47 2 17 48 2 18 50 2 19 52 2 20 53 2 21 54 2 22 49 2 22 59 1 23 25 2 23 26 1 24 27 2 24 28 1 25 29 1 26 30 2 27 31 1 28 32 2 29 56 2 30 56 1 31 57 2 32 57 1 33 38 1 70 33 -1 34 50 1 34 66 1 35 60 1 35 65 1 36 64 1 36 69 1 37 55 1 38 45 1 39 46 1 60 39 -2 40 47 1 61 40 -2 41 48 1 63 41 -1 42 52 1 59 42 -1 43 53 1 62 43 -2 44 54 1 69 44 -2 71 49 -2 50 55 1 51 55 2 51 65 1 52 56 1 53 57 1 64 54 -2 58 63 1 58 71 1 59 68 1 60 67 1 61 62 1 61 64 1 62 68 1 63 70 1 65 66 1 66 70 1 67 70 1 67 71 1 68 69 1 71 69 -1', 'C53H60O16', 952.573, 'C', 'np07_1228_J', 4678, '', '', '1', 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(18586, 'Spirocaracolitone K', '', 'Terpenoids', 'Triterpenoids', 'Miscellanea', '[H][C@@:10]12[CH2:1][C:2](=O)[C:3](O[CH3:3001])=[C:4]([CH3:23])[C@@:5]1([CH3:24])[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]3([H])[C@@:9]2([CH2:25]O[C:25001]([CH3:25002])=O)[C@@H:11](O[C:11001]([CH3:11002])=O)[C@H:12]([CH3:26])[C@:13]37[C:14]([CH3:27])=[CH:15][C@H:16](O[C:16001](=O)[c:16002]4[cH:16003][cH:16004][cH:16005][cH:16006][cH:16007]4)[C@@:17]6([CH3:28])[C@@H:22](O[C:22001](=O)[c:22002]5[cH:22007][cH:22006][cH:22005][cH:22004][cH:22003]5)[CH2:21][C@:20]8([CH3:29])[CH2:19][C@@:18]67O[C:30]8=O', '[H][C@@]12CC(=O)C(OC)=C(C)[C@@]1(C)C[C@@H](OC(C)=O)[C@@]3([H])[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@]37C(C)=C[C@H](OC(=O)c4ccccc4)[C@@]6(C)[C@@H](OC(=O)c5ccccc5)C[C@]8(C)C[C@@]67OC8=O', '[H][C@@:56]12[CH2:39][C:193](=O)[C:148](O[CH3:60])=[C:154]([CH3:12])[C@@:42]1([CH3:18])[CH2:46][C@@H:65](O[C:170]([CH3:20])=O)[C@@:56]3([H])[C@@:45]2([CH2:65]O[C:171]([CH3:21])=O)[C@@H:82](O[C:170]([CH3:21])=O)[C@H:45]([CH3:14])[C@:55]37[C:134]([CH3:24])=[CH:128][C@H:70](O[C:166](=O)[c:129]4[cH:130][cH:129][cH:134][cH:129][cH:130]4)[C@@:48]6([CH3:21])[C@@H:73](O[C:165](=O)[c:129]5[cH:130][cH:128][cH:133][cH:128][cH:130]5)[CH2:43][C@:41]8([CH3:21])[CH2:40][C@@:90]67O[C:178]8=O', '67 74 H 13.19 -11.40 H 15.64 -11.23 C:3001 8.32 -13.64 C:25002 12.01 -7.30 C:7002 17.27 -16.95 C:11002 13.28 -6.77 C:27 16.69 -13.92 C:23 11.98 -15.76 C:26 16.21 -8.70 C:29 16.83 -7.08 C:24 13.19 -15.07 C:28 20.16 -10.88 O 10.76 -9.40 O 14.93 -16.37 O 15.60 -7.52 O 9.53 -11.54 O 20.16 -14.56 O 21.60 -7.47 O 19.66 -5.85 C:15 18.38 -12.93 C:16005 25.19 -14.38 C:22005 26.13 -9.62 C:16004 24.24 -15.42 C:16006 24.76 -13.05 C:22006 25.19 -10.68 C:22004 25.68 -8.30 C:16003 22.87 -15.13 C:16007 23.39 -12.76 C:22007 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(18593, 'Lotoideside B', '', 'Terpenoids', 'Triterpenoids', 'Hopanes', '[H][C@:13]57[CH2:12][CH2:11][C@:9]4([H])[C@@:10]3([CH3:25])[CH2:1][CH2:2][C@H:3](O[C@@H:101]1O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]1O[C@@H:201]2O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]2O)[C@@:4]([CH3:24])([CH3:23])[C@:5]3([H])[C@@H:6](O)[CH2:7][C@@:8]4([CH3:26])[C@:14]5([CH3:27])[CH2:15][C@H:16](O)[C@@:17]8([H])[C@H:21]([C:22]([CH3:29])([CH3:30])O[C@@H:301]6O[C@H:405]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]6O)[CH2:20][CH2:19][C@:18]78[CH3:28]', '[H][C@]57CC[C@]4([H])[C@@]3(C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@](C)(C)[C@]3([H])[C@@H](O)C[C@@]4(C)[C@]5(C)C[C@H](O)[C@@]8([H])[C@H](C(C)(C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]78C', 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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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(18604, 'Fomefficinic Acid C', '3a,15a-Dihydroxy-24-methylene-lanost-8-en-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[C:21](=O)O)[CH2:16][C@H:15](O)[C@@:14]2([CH3:30])[C:8]4=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]3([H])[CH2:6][CH2:7]4', '[H][C@]1([C@@H](CCC(=C)C(C)C)C(=O)O)C[C@H](O)[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CC[C@@H](O)[C@](C)(C)[C@]3([H])CC4', '[H][C@:46]1([C@@H:47]([CH2:30][CH2:33][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:179](=O)O)[CH2:39][C@H:73](O)[C@@:52]2([CH3:18])[C:135]4=[C:135]([CH2:21][CH2:31][C@:49]12[CH3:17])[C@@:38]3([CH3:19])[CH2:32][CH2:27][C@@H:75](O)[C@:38]([CH3:29])([CH3:23])[C@:45]3([H])[CH2:19][CH2:27]4', '37 40 H 18.15 -11.27 H 13.24 -15.38 C:24001 23.01 -8.11 C:26 24.88 -10.18 C:27 23.04 -11.79 C:28 12.75 -16.27 C:29 11.25 -16.22 C:19 13.24 -11.43 C:18 17.03 -9.33 C:30 17.03 -13.59 O 18.26 -6.63 O 16.48 -8.25 O 9.64 -15.05 O 18.78 -13.88 C:23 21.15 -9.69 C:7 15.75 -14.32 C:11 14.53 -10.73 C:22 20.20 -8.67 C:2 10.81 -12.86 C:6 14.53 -15.01 C:12 15.75 -10.01 C:1 12.03 -12.12 C:16 19.19 -11.43 C:24 22.55 -9.42 C:21 17.84 -7.94 C:9 14.53 -12.12 C:8 15.75 -12.86 C:25 23.48 -10.48 C:3 10.81 -14.32 C:15 18.35 -12.55 C:20 18.78 -8.96 C:4 12.03 -15.01 C:17 18.35 -10.31 C:5 13.24 -14.32 C:10 13.24 -12.86 C:13 17.03 -10.73 C:14 17.03 -12.12 33 1 -2 34 2 -2 3 24 2 4 28 1 5 28 1 32 6 -2 32 7 -1 35 8 -1 36 9 -1 37 10 -2 11 25 2 12 25 1 29 13 -2 30 14 -2 15 18 1 15 24 1 16 20 1 16 27 1 17 21 1 17 26 1 18 31 1 19 22 1 19 29 1 20 34 1 21 36 1 22 35 1 23 30 1 23 33 1 24 28 1 31 25 -2 26 27 2 26 35 1 27 37 1 29 32 1 30 37 1 31 33 1 32 34 1 33 36 1 34 35 1 36 37 1', '37 40 H 18.15 -11.27 H 13.24 -15.38 C 23.01 -8.11 C 24.88 -10.18 C 23.04 -11.79 C 12.75 -16.27 C 11.25 -16.22 C 13.24 -11.43 C 17.03 -9.33 C 17.03 -13.59 O 18.26 -6.63 O 16.48 -8.25 O 9.64 -15.05 O 18.78 -13.88 C 21.15 -9.69 C 15.75 -14.32 C 14.53 -10.73 C 20.20 -8.67 C 10.81 -12.86 C 14.53 -15.01 C 15.75 -10.01 C 12.03 -12.12 C 19.19 -11.43 C 22.55 -9.42 C 17.84 -7.94 C 14.53 -12.12 C 15.75 -12.86 C 23.48 -10.48 C 10.81 -14.32 C 18.35 -12.55 C 18.78 -8.96 C 12.03 -15.01 C 18.35 -10.31 C 13.24 -14.32 C 13.24 -12.86 C 17.03 -10.73 C 17.03 -12.12 33 1 -2 34 2 -2 3 24 2 4 28 1 5 28 1 32 6 -2 32 7 -1 35 8 -1 36 9 -1 37 10 -2 11 25 2 12 25 1 29 13 -2 30 14 -2 15 18 1 15 24 1 16 20 1 16 27 1 17 21 1 17 26 1 18 31 1 19 22 1 19 29 1 20 34 1 21 36 1 22 35 1 23 30 1 23 33 1 24 28 1 31 25 -2 26 27 2 26 35 1 27 37 1 29 32 1 30 37 1 31 33 1 32 34 1 33 36 1 34 35 1 36 37 1', '37 40 H 18.15 -11.27 H 13.24 -15.38 C:107 23.01 -8.11 C:22 24.88 -10.18 C:22 23.04 -11.79 C:29 12.75 -16.27 C:23 11.25 -16.22 C:19 13.24 -11.43 C:17 17.03 -9.33 C:18 17.03 -13.59 O 18.26 -6.63 O 16.48 -8.25 O 9.64 -15.05 O 18.78 -13.88 C:33 21.15 -9.69 C:27 15.75 -14.32 C:21 14.53 -10.73 C:30 20.20 -8.67 C:27 10.81 -12.86 C:19 14.53 -15.01 C:31 15.75 -10.01 C:32 12.03 -12.12 C:39 19.19 -11.43 C:156 22.55 -9.42 C:179 17.84 -7.94 C:135 14.53 -12.12 C:135 15.75 -12.86 C:34 23.48 -10.48 C:75 10.81 -14.32 C:73 18.35 -12.55 C:47 18.78 -8.96 C:38 12.03 -15.01 C:46 18.35 -10.31 C:45 13.24 -14.32 C:38 13.24 -12.86 C:49 17.03 -10.73 C:52 17.03 -12.12 33 1 -2 34 2 -2 3 24 2 4 28 1 5 28 1 32 6 -2 32 7 -1 35 8 -1 36 9 -1 37 10 -2 11 25 2 12 25 1 29 13 -2 30 14 -2 15 18 1 15 24 1 16 20 1 16 27 1 17 21 1 17 26 1 18 31 1 19 22 1 19 29 1 20 34 1 21 36 1 22 35 1 23 30 1 23 33 1 24 28 1 31 25 -2 26 27 2 26 35 1 27 37 1 29 32 1 30 37 1 31 33 1 32 34 1 33 36 1 34 35 1 36 37 1', 'C31H50O4', 486.345, 'P', 'cpb04_1375_3', 4682, '', '', '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
(18605, 'Fomefficinic Acid E', '15a-Acetoxy-3-oxo-24-methylenelanosta-7,9(11)-dien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]3([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[C:21](=O)O)[CH2:16][C@H:15](O[C:15001]([CH3:15002])=O)[C@@:14]4([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C:3](=O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@@H](CCC(=C)C(C)C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C2=CC[C@@]1([H])[C@](C)(C)C(=O)CC[C@]1(C)C2=CC[C@]34C', '[H][C@:47]3([C@@H:48]([CH2:35][CH2:34][C:155](=[CH2:107])[CH:35]([CH3:22])[CH3:21])[C:179](=O)O)[CH2:36][C@H:78](O[C:171]([CH3:21])=O)[C@@:52]4([CH3:20])[C:142]2=[CH:122][CH2:24][C@@:51]1([H])[C@:47]([CH3:22])([CH3:27])[C:216](=O)[CH2:34][CH2:37][C@:37]1([CH3:18])[C:148]2=[CH:117][CH2:35][C@:46]34[CH3:17]', '40 43 H 18.15 -11.22 H 13.23 -15.33 C:24001 23.01 -8.06 C:15002 20.58 -15.45 C:27 23.04 -11.74 C:26 24.88 -10.13 C:29 11.24 -16.17 C:28 12.74 -16.22 C:19 13.23 -11.38 C:18 17.03 -9.28 C:30 17.03 -13.54 O 21.07 -13.08 O 18.26 -6.58 O 9.63 -15.00 O 16.48 -8.20 C:11 14.53 -10.68 C:7 15.75 -14.27 C:23 21.15 -9.64 C:2 10.80 -12.81 C:6 14.53 -14.96 C:12 15.75 -9.96 C:22 20.20 -8.62 C:1 12.02 -12.07 C:16 19.20 -11.38 O 18.78 -13.83 C:15001 20.14 -14.12 C:24 22.55 -9.37 C:21 17.84 -7.89 C:3 10.80 -14.27 C:9 14.53 -12.07 C:8 15.75 -12.81 C:25 23.48 -10.43 C:15 18.35 -12.50 C:20 18.78 -8.91 C:4 12.02 -14.96 C:17 18.35 -10.26 C:5 13.23 -14.27 C:10 13.23 -12.81 C:13 17.03 -10.68 C:14 17.03 -12.07 36 1 -2 37 2 -2 3 27 2 4 26 1 5 32 1 6 32 1 35 7 -1 35 8 -2 38 9 -1 39 10 -1 40 11 -2 12 26 2 13 28 2 14 29 2 15 28 1 16 21 1 16 30 2 17 20 1 17 31 2 18 22 1 18 27 1 19 23 1 19 29 1 20 37 1 21 39 1 22 34 1 23 38 1 24 33 1 24 36 1 25 26 1 33 25 -2 27 32 1 34 28 -2 29 35 1 30 31 1 30 38 1 31 40 1 33 40 1 34 36 1 35 37 1 36 39 1 37 38 1 39 40 1', '40 43 H 18.15 -11.22 H 13.23 -15.33 C 23.01 -8.06 C 20.58 -15.45 C 23.04 -11.74 C 24.88 -10.13 C 11.24 -16.17 C 12.74 -16.22 C 13.23 -11.38 C 17.03 -9.28 C 17.03 -13.54 O 21.07 -13.08 O 18.26 -6.58 O 9.63 -15.00 O 16.48 -8.20 C 14.53 -10.68 C 15.75 -14.27 C 21.15 -9.64 C 10.80 -12.81 C 14.53 -14.96 C 15.75 -9.96 C 20.20 -8.62 C 12.02 -12.07 C 19.20 -11.38 O 18.78 -13.83 C 20.14 -14.12 C 22.55 -9.37 C 17.84 -7.89 C 10.80 -14.27 C 14.53 -12.07 C 15.75 -12.81 C 23.48 -10.43 C 18.35 -12.50 C 18.78 -8.91 C 12.02 -14.96 C 18.35 -10.26 C 13.23 -14.27 C 13.23 -12.81 C 17.03 -10.68 C 17.03 -12.07 36 1 -2 37 2 -2 3 27 2 4 26 1 5 32 1 6 32 1 35 7 -1 35 8 -2 38 9 -1 39 10 -1 40 11 -2 12 26 2 13 28 2 14 29 2 15 28 1 16 21 1 16 30 2 17 20 1 17 31 2 18 22 1 18 27 1 19 23 1 19 29 1 20 37 1 21 39 1 22 34 1 23 38 1 24 33 1 24 36 1 25 26 1 33 25 -2 27 32 1 34 28 -2 29 35 1 30 31 1 30 38 1 31 40 1 33 40 1 34 36 1 35 37 1 36 39 1 37 38 1 39 40 1', '40 43 H 18.15 -11.22 H 13.23 -15.33 C:107 23.01 -8.06 C:21 20.58 -15.45 C:22 23.04 -11.74 C:21 24.88 -10.13 C:22 11.24 -16.17 C:27 12.74 -16.22 C:18 13.23 -11.38 C:17 17.03 -9.28 C:20 17.03 -13.54 O 21.07 -13.08 O 18.26 -6.58 O 9.63 -15.00 O 16.48 -8.20 C:117 14.53 -10.68 C:122 15.75 -14.27 C:34 21.15 -9.64 C:34 10.80 -12.81 C:24 14.53 -14.96 C:35 15.75 -9.96 C:35 20.20 -8.62 C:37 12.02 -12.07 C:36 19.20 -11.38 O 18.78 -13.83 C:171 20.14 -14.12 C:155 22.55 -9.37 C:179 17.84 -7.89 C:216 10.80 -14.27 C:148 14.53 -12.07 C:142 15.75 -12.81 C:35 23.48 -10.43 C:78 18.35 -12.50 C:48 18.78 -8.91 C:47 12.02 -14.96 C:47 18.35 -10.26 C:51 13.23 -14.27 C:37 13.23 -12.81 C:46 17.03 -10.68 C:52 17.03 -12.07 36 1 -2 37 2 -2 3 27 2 4 26 1 5 32 1 6 32 1 35 7 -1 35 8 -2 38 9 -1 39 10 -1 40 11 -2 12 26 2 13 28 2 14 29 2 15 28 1 16 21 1 16 30 2 17 20 1 17 31 2 18 22 1 18 27 1 19 23 1 19 29 1 20 37 1 21 39 1 22 34 1 23 38 1 24 33 1 24 36 1 25 26 1 33 25 -2 27 32 1 34 28 -2 29 35 1 30 31 1 30 38 1 31 40 1 33 40 1 34 36 1 35 37 1 36 39 1 37 38 1 39 40 1', 'C33H48O5', 524.366, 'P', 'cpb04_1375_5', 4682, '', '', '1', 1, NULL, NULL),
(18606, '', '(23R)-17α,23-epoxy-29-hydroxy-3β-[O-α-L-rhamnopyranosyl-(1-->2)-O-β-D-glucopyranosyl-(1-->2)-O-R-L-α-arabinopyranosyl-(1-->6)-β-D-glucopyranosyl]oxy]-27-norlanost-8-ene-15,24-dione', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]49[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@@:13]2([CH3:18])[C@@:14]1([CH3:30])[C:15](=O)[CH2:16][C@@:17]23O[C@@H:23]([C:24](=O)[CH2:25][CH3:26])[CH2:22][C@H:20]3[CH3:21])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]8O[C@H:105]([CH2:106]O[C@@H:201]5O[CH2:205][C@H:204](O)[C@H:203](O)[C@H:202]5O[C@@H:301]6O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O)[C@H:302]6O[C@@H:401]7O[C@@H:405]([CH3:406])[C@H:404](O)[C@@H:403](O)[C@H:402]7O)[C@@H:104](O)[C@H:103](O)[C@H:102]8O)[C@:4]9([CH3:28])[CH2:29]O', '[H][C@@]49CCC1=C(CC[C@@]2(C)[C@@]1(C)C(=O)C[C@@]23O[C@@H](C(=O)CC)C[C@H]3C)[C@@]4(C)CC[C@H](O[C@@H]8O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]8O)[C@]9(C)CO', '[H][C@@:51]49[CH2:19][CH2:28][C:133]1=[C:137]([CH2:21][CH2:23][C@@:47]2([CH3:20])[C@@:58]1([CH3:25])[C:215](=O)[CH2:49][C@@:91]23O[C@@H:80]([C:212](=O)[CH2:32][CH3:8])[CH2:36][C@H:41]3[CH3:18])[C@@:37]4([CH3:19])[CH2:36][CH2:28][C@H:89](O[C@@H:106]8O[C@H:76]([CH2:69]O[C@@H:101]5O[CH2:62][C@H:66](O)[C@H:71](O)[C@H:78]5O[C@@H:103]6O[C@H:78]([CH2:62]O)[C@@H:73](O)[C@H:79](O)[C@H:78]6O[C@@H:102]7O[C@@H:70]([CH3:19])[C@H:74](O)[C@@H:73](O)[C@H:72]7O)[C@@H:71](O)[C@H:78](O)[C@H:75]8O)[C@:44]9([CH3:23])[CH2:63]O', '76 84 H 20.52 -16.19 C:26 30.94 -8.99 C:406 3.56 -10.94 C:21 23.78 -9.42 C:19 20.52 -12.27 C:28 20.11 -16.94 C:18 24.23 -10.15 C:30 24.23 -14.34 O 28.57 -7.53 O 25.96 -14.71 O 9.61 -4.59 O 18.84 -18.29 O 13.25 -5.29 O 3.58 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C:69 14.46 -11.62 C:19 21.76 -15.82 C:23 22.97 -10.86 C:36 19.30 -12.97 C:36 26.10 -8.89 C:49 26.39 -12.32 O 14.46 -8.80 O 13.25 -10.90 O 6.00 -10.94 O 9.61 -7.40 O 15.67 -13.67 O 16.89 -15.82 O 8.45 -10.90 O 10.82 -9.49 O 27.10 -10.90 C:212 28.57 -8.89 C:215 25.54 -13.39 C:137 21.76 -12.97 C:133 22.97 -13.67 C:70 4.79 -11.62 C:41 25.11 -9.87 C:66 13.25 -6.70 C:80 27.32 -9.53 C:74 4.79 -13.03 C:73 6.00 -13.73 C:78 13.25 -15.10 C:71 13.25 -13.73 C:73 7.22 -7.40 C:72 7.22 -13.03 C:75 14.46 -15.82 C:71 12.03 -7.40 C:79 7.22 -8.80 C:78 8.42 -6.70 C:76 14.46 -13.03 C:106 15.67 -15.10 C:102 7.22 -11.62 C:101 13.25 -9.49 C:103 9.61 -8.80 C:89 18.09 -15.07 C:78 12.03 -8.80 C:78 8.42 -9.49 C:51 20.52 -15.07 C:37 20.52 -13.67 C:44 19.30 -15.82 C:47 24.20 -11.62 C:58 24.20 -12.97 C:91 25.74 -11.13 71 1 -2 2 23 1 49 3 -2 50 4 -2 72 5 -1 73 6 -2 74 7 -1 75 8 -2 9 45 2 10 46 2 11 24 1 12 25 1 51 13 -1 53 14 -1 54 15 -2 55 16 -1 56 17 -2 57 18 -2 58 19 -2 59 20 -2 60 21 -1 61 22 -1 23 45 1 62 24 -1 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(18611, 'Australic acid', '(20Z,23R,25R)-15a-Acetyl-7a,8a-epoxy-12-oxo-3,4-seco-5a-lanosta-4(28),9,20(22 )-trien-23,26-olid-3-oic Acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:23]5([CH:22]=[C:20]([CH3:21])[C@@:17]1([H])[CH2:16][C@H:15](O[C:15001]([CH3:15002])=O)[C@:14]4([CH3:30])[C@:13]1([CH3:18])[C:12](=O)[CH:11]=[C:9]2[C@@:10]([CH3:19])([CH2:1][CH2:2][C:3](=O)O)[C@H:5]([C:4](=[CH2:28])[CH3:29])[CH2:6][C@@H:7]3O[C@@:8]234)[CH2:24][C@@H:25]([CH3:27])[C:26](=O)O5', '[H][C@@]5(C=C(C)[C@@]1([H])C[C@H](OC(C)=O)[C@]4(C)[C@]1(C)C(=O)C=C2[C@@](C)(CCC(=O)O)[C@H](C(=C)C)C[C@@H]3O[C@@]234)C[C@@H](C)C(=O)O5', '[H][C@@:75]5([CH:126]=[C:140]([CH3:19])[C@@:44]1([H])[CH2:32][C@H:72](O[C:170]([CH3:21])=O)[C@:52]4([CH3:15])[C@:59]1([CH3:18])[C:201](=O)[CH:130]=[C:163]2[C@@:44]([CH3:23])([CH2:37][CH2:30][C:176](=O)O)[C@H:45]([C:145](=[CH2:115])[CH3:23])[CH2:27][C@@H:61]3O[C@@:67]234)[CH2:37][C@@H:34]([CH3:15])[C:179](=O)O5', '42 46 H 22.50 -8.03 H 18.99 -10.57 C:28 12.86 -15.72 C:29 11.66 -13.64 C:15002 21.37 -14.80 C:21 18.70 -7.15 C:27 23.00 -12.44 C:19 14.10 -10.74 C:18 17.87 -8.60 C:30 17.88 -12.90 O 21.89 -12.44 O 10.43 -10.06 O 16.62 -7.92 O 25.27 -10.42 O 9.20 -12.16 C:11 15.38 -10.01 C:22 21.05 -7.92 C:2 11.66 -12.17 C:1 12.86 -11.42 C:6 15.38 -14.33 C:24 21.67 -10.34 C:16 20.03 -10.74 O 19.61 -13.18 O 23.37 -8.85 O 15.43 -12.88 C:4 12.86 -14.33 C:15001 20.95 -13.48 C:3 10.43 -11.46 C:20 19.61 -8.21 C:12 16.62 -9.30 C:26 23.91 -10.12 C:9 15.38 -11.42 C:25 22.87 -11.05 C:15 19.19 -11.86 C:7 16.62 -13.64 C:5 14.10 -13.64 C:23 21.97 -8.98 C:17 19.19 -9.58 C:10 14.10 -12.17 C:13 17.87 -10.01 C:14 17.87 -11.42 C:8 16.62 -12.17 37 1 -2 38 2 -2 3 26 2 4 26 1 5 27 1 6 29 1 33 7 -2 39 8 -1 40 9 -1 41 10 -2 11 27 2 12 28 2 13 30 2 14 31 2 15 28 1 16 30 1 16 32 2 17 29 2 17 37 1 18 19 1 18 28 1 39 19 -2 20 35 1 20 36 1 21 33 1 21 37 1 22 34 1 22 38 1 23 27 1 34 23 -2 24 31 1 24 37 1 35 25 -2 42 25 -2 36 26 -1 29 38 1 30 40 1 31 33 1 32 39 1 32 42 1 34 41 1 35 42 1 36 39 1 38 40 1 40 41 1 41 42 1', '42 46 H 22.50 -8.03 H 18.99 -10.57 C 12.86 -15.72 C 11.66 -13.64 C 21.37 -14.80 C 18.70 -7.15 C 23.00 -12.44 C 14.10 -10.74 C 17.87 -8.60 C 17.88 -12.90 O 21.89 -12.44 O 10.43 -10.06 O 16.62 -7.92 O 25.27 -10.42 O 9.20 -12.16 C 15.38 -10.01 C 21.05 -7.92 C 11.66 -12.17 C 12.86 -11.42 C 15.38 -14.33 C 21.67 -10.34 C 20.03 -10.74 O 19.61 -13.18 O 23.37 -8.85 O 15.43 -12.88 C 12.86 -14.33 C 20.95 -13.48 C 10.43 -11.46 C 19.61 -8.21 C 16.62 -9.30 C 23.91 -10.12 C 15.38 -11.42 C 22.87 -11.05 C 19.19 -11.86 C 16.62 -13.64 C 14.10 -13.64 C 21.97 -8.98 C 19.19 -9.58 C 14.10 -12.17 C 17.87 -10.01 C 17.87 -11.42 C 16.62 -12.17 37 1 -2 38 2 -2 3 26 2 4 26 1 5 27 1 6 29 1 33 7 -2 39 8 -1 40 9 -1 41 10 -2 11 27 2 12 28 2 13 30 2 14 31 2 15 28 1 16 30 1 16 32 2 17 29 2 17 37 1 18 19 1 18 28 1 39 19 -2 20 35 1 20 36 1 21 33 1 21 37 1 22 34 1 22 38 1 23 27 1 34 23 -2 24 31 1 24 37 1 35 25 -2 42 25 -2 36 26 -1 29 38 1 30 40 1 31 33 1 32 39 1 32 42 1 34 41 1 35 42 1 36 39 1 38 40 1 40 41 1 41 42 1', '42 46 H 22.50 -8.03 H 18.99 -10.57 C:115 12.86 -15.72 C:23 11.66 -13.64 C:21 21.37 -14.80 C:19 18.70 -7.15 C:15 23.00 -12.44 C:23 14.10 -10.74 C:18 17.87 -8.60 C:15 17.88 -12.90 O 21.89 -12.44 O 10.43 -10.06 O 16.62 -7.92 O 25.27 -10.42 O 9.20 -12.16 C:130 15.38 -10.01 C:126 21.05 -7.92 C:30 11.66 -12.17 C:37 12.86 -11.42 C:27 15.38 -14.33 C:37 21.67 -10.34 C:32 20.03 -10.74 O 19.61 -13.18 O 23.37 -8.85 O 15.43 -12.88 C:145 12.86 -14.33 C:170 20.95 -13.48 C:176 10.43 -11.46 C:140 19.61 -8.21 C:201 16.62 -9.30 C:179 23.91 -10.12 C:163 15.38 -11.42 C:34 22.87 -11.05 C:72 19.19 -11.86 C:61 16.62 -13.64 C:45 14.10 -13.64 C:75 21.97 -8.98 C:44 19.19 -9.58 C:44 14.10 -12.17 C:59 17.87 -10.01 C:52 17.87 -11.42 C:67 16.62 -12.17 37 1 -2 38 2 -2 3 26 2 4 26 1 5 27 1 6 29 1 33 7 -2 39 8 -1 40 9 -1 41 10 -2 11 27 2 12 28 2 13 30 2 14 31 2 15 28 1 16 30 1 16 32 2 17 29 2 17 37 1 18 19 1 18 28 1 39 19 -2 20 35 1 20 36 1 21 33 1 21 37 1 22 34 1 22 38 1 23 27 1 34 23 -2 24 31 1 24 37 1 35 25 -2 42 25 -2 36 26 -1 29 38 1 30 40 1 31 33 1 32 39 1 32 42 1 34 41 1 35 42 1 36 39 1 38 40 1 40 41 1 41 42 1', 'C32H42O8', 554.353, 'P', 'hca03_3088_2', 4684, '', '', '1', 1, NULL, NULL),
(18612, '', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[C@@H:22]([CH:23]=[CH:24][C:25]([CH3:27])([CH3:26])O)O[C:22001]([CH3:22002])=O)[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]4=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]([CH3:29])([CH3:28])[C@:5]3([H])[CH2:6][CH2:7]4', '[H][C@]1([C@H](C)[C@@H](C=CC(C)(C)O)OC(C)=O)CC[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CCC(=O)[C@@](C)(C)[C@]3([H])CC4', '[H][C@:48]1([C@H:41]([CH3:14])[C@@H:77]([CH:121]=[CH:143][C:71]([CH3:30])([CH3:30])O)O[C:171]([CH3:24])=O)[CH2:31][CH2:31][C@@:50]2([CH3:22])[C:136]4=[C:134]([CH2:22][CH2:27][C@:45]12[CH3:16])[C@@:37]3([CH3:19])[CH2:37][CH2:35][C:218](=O)[C@@:48]([CH3:25])([CH3:27])[C@:52]3([H])[CH2:20][CH2:28]4', '38 41 H 18.13 -11.67 H 13.25 -15.78 C:22002 22.42 -6.17 C:21 17.82 -8.33 C:27 23.01 -12.18 C:26 24.85 -10.56 C:29 11.23 -16.61 C:28 12.74 -16.66 C:19 13.25 -11.83 C:30 17.01 -13.99 C:18 16.99 -9.71 O 22.90 -8.53 O 9.62 -15.44 O 24.36 -11.92 C:23 21.11 -10.08 C:24 22.52 -9.80 C:2 10.80 -13.26 C:7 15.75 -14.71 C:11 14.52 -11.12 C:1 12.02 -12.52 C:6 14.52 -15.40 C:12 15.75 -10.39 C:16 19.16 -11.83 C:15 18.33 -12.94 O 20.61 -7.75 C:22001 21.97 -7.48 C:3 10.80 -14.71 C:9 14.52 -12.52 C:8 15.75 -13.26 C:20 18.76 -9.35 C:22 20.17 -9.05 C:25 23.45 -10.87 C:4 12.02 -15.40 C:17 18.33 -10.69 C:10 13.25 -13.26 C:14 16.99 -12.52 C:5 13.25 -14.71 C:13 16.99 -11.12 34 1 -2 37 2 -2 3 26 1 30 4 -2 5 32 1 6 32 1 33 7 -1 33 8 -2 35 9 -1 36 10 -2 38 11 -1 12 26 2 13 27 2 14 32 1 15 16 2 15 31 1 16 32 1 17 20 1 17 27 1 18 21 1 18 29 1 19 22 1 19 28 1 20 35 1 21 37 1 22 38 1 23 24 1 23 34 1 24 36 1 25 26 1 31 25 -2 27 33 1 28 29 2 28 35 1 29 36 1 30 31 1 30 34 1 33 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 18.13 -11.67 H 13.25 -15.78 C 22.42 -6.17 C 17.82 -8.33 C 23.01 -12.18 C 24.85 -10.56 C 11.23 -16.61 C 12.74 -16.66 C 13.25 -11.83 C 17.01 -13.99 C 16.99 -9.71 O 22.90 -8.53 O 9.62 -15.44 O 24.36 -11.92 C 21.11 -10.08 C 22.52 -9.80 C 10.80 -13.26 C 15.75 -14.71 C 14.52 -11.12 C 12.02 -12.52 C 14.52 -15.40 C 15.75 -10.39 C 19.16 -11.83 C 18.33 -12.94 O 20.61 -7.75 C 21.97 -7.48 C 10.80 -14.71 C 14.52 -12.52 C 15.75 -13.26 C 18.76 -9.35 C 20.17 -9.05 C 23.45 -10.87 C 12.02 -15.40 C 18.33 -10.69 C 13.25 -13.26 C 16.99 -12.52 C 13.25 -14.71 C 16.99 -11.12 34 1 -2 37 2 -2 3 26 1 30 4 -2 5 32 1 6 32 1 33 7 -1 33 8 -2 35 9 -1 36 10 -2 38 11 -1 12 26 2 13 27 2 14 32 1 15 16 2 15 31 1 16 32 1 17 20 1 17 27 1 18 21 1 18 29 1 19 22 1 19 28 1 20 35 1 21 37 1 22 38 1 23 24 1 23 34 1 24 36 1 25 26 1 31 25 -2 27 33 1 28 29 2 28 35 1 29 36 1 30 31 1 30 34 1 33 37 1 34 38 1 35 37 1 36 38 1', '38 41 H 18.13 -11.67 H 13.25 -15.78 C:24 22.42 -6.17 C:14 17.82 -8.33 C:30 23.01 -12.18 C:30 24.85 -10.56 C:25 11.23 -16.61 C:27 12.74 -16.66 C:19 13.25 -11.83 C:22 17.01 -13.99 C:16 16.99 -9.71 O 22.90 -8.53 O 9.62 -15.44 O 24.36 -11.92 C:121 21.11 -10.08 C:143 22.52 -9.80 C:35 10.80 -13.26 C:28 15.75 -14.71 C:22 14.52 -11.12 C:37 12.02 -12.52 C:20 14.52 -15.40 C:27 15.75 -10.39 C:31 19.16 -11.83 C:31 18.33 -12.94 O 20.61 -7.75 C:171 21.97 -7.48 C:218 10.80 -14.71 C:134 14.52 -12.52 C:136 15.75 -13.26 C:41 18.76 -9.35 C:77 20.17 -9.05 C:71 23.45 -10.87 C:48 12.02 -15.40 C:48 18.33 -10.69 C:37 13.25 -13.26 C:50 16.99 -12.52 C:52 13.25 -14.71 C:45 16.99 -11.12 34 1 -2 37 2 -2 3 26 1 30 4 -2 5 32 1 6 32 1 33 7 -1 33 8 -2 35 9 -1 36 10 -2 38 11 -1 12 26 2 13 27 2 14 32 1 15 16 2 15 31 1 16 32 1 17 20 1 17 27 1 18 21 1 18 29 1 19 22 1 19 28 1 20 35 1 21 37 1 22 38 1 23 24 1 23 34 1 24 36 1 25 26 1 31 25 -2 27 33 1 28 29 2 28 35 1 29 36 1 30 31 1 30 34 1 33 37 1 34 38 1 35 37 1 36 38 1', 'C32H50O4', 498.356, 'C', 'pm03_568_1', 4685, '', '', '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
(18613, '', '', 'Aromatics', 'Pulvinic acids', '', '[CH3:1001]O[C:1](=O)[C:2]([c:201]1[cH:206][cH:205][c:204](O[CH3:204001])[c:203](Br)[cH:202]1)=[c:3]3o[c:6](=O)[c:5]([c:101]2[cH:106][cH:105][c:104](O[CH3:104001])[c:103](Br)[cH:102]2)[c:4]3O[CH3:4001]', 'COC(=O)C(c1ccc(OC)c(Br)c1)=c3oc(=O)c(c2ccc(OC)c(Br)c2)c3OC', '[CH3:53]O[C:168](=O)[C:115]([c:125]1[cH:131][cH:112][c:157](O[CH3:62])[c:113](Br)[cH:134]1)=[c:141]3o[c:167](=O)[c:108]([c:122]2[cH:130][cH:112][c:157](O[CH3:57])[c:113](Br)[cH:135]2)[c:163]3O[CH3:57]', '31 33 C:1001 14.27 -7.56 C:204001 9.42 -13.16 C:104001 25.03 -9.68 C:4001 19.03 -8.85 O 16.70 -8.99 O 19.36 -14.22 Br 13.04 -15.28 Br 21.39 -7.59 C:206 13.04 -11.09 C:106 21.39 -11.79 C:205 11.84 -11.79 C:105 22.61 -11.09 C:202 14.27 -13.18 C:102 20.18 -9.68 O 14.27 -8.96 O 10.63 -13.87 O 23.81 -8.99 O 17.82 -9.55 O 17.12 -13.10 C:1 15.49 -9.68 C:2 15.49 -11.09 C:203 13.04 -13.87 C:103 21.39 -8.99 C:201 14.27 -11.79 C:101 20.18 -11.09 C:204 11.84 -13.16 C:104 22.61 -9.68 C:4 17.82 -10.95 C:5 18.96 -11.79 C:6 18.52 -13.10 C:3 16.70 -11.79 1 15 1 2 16 1 3 17 1 4 18 1 5 20 2 6 30 2 7 22 1 8 23 1 9 11 2 9 24 1 10 12 2 10 25 1 11 26 1 12 27 1 13 22 1 13 24 2 14 23 1 14 25 2 15 20 1 16 26 1 17 27 1 18 28 1 19 30 1 19 31 1 20 21 1 21 24 1 21 31 2 22 26 2 23 27 2 25 29 1 28 29 2 28 31 1 29 30 1', '31 33 C 14.27 -7.56 C 9.42 -13.16 C 25.03 -9.68 C 19.03 -8.85 O 16.70 -8.99 O 19.36 -14.22 Br 13.04 -15.28 Br 21.39 -7.59 C 13.04 -11.09 C 21.39 -11.79 C 11.84 -11.79 C 22.61 -11.09 C 14.27 -13.18 C 20.18 -9.68 O 14.27 -8.96 O 10.63 -13.87 O 23.81 -8.99 O 17.82 -9.55 O 17.12 -13.10 C 15.49 -9.68 C 15.49 -11.09 C 13.04 -13.87 C 21.39 -8.99 C 14.27 -11.79 C 20.18 -11.09 C 11.84 -13.16 C 22.61 -9.68 C 17.82 -10.95 C 18.96 -11.79 C 18.52 -13.10 C 16.70 -11.79 1 15 1 2 16 1 3 17 1 4 18 1 5 20 2 6 30 2 7 22 1 8 23 1 9 11 2 9 24 1 10 12 2 10 25 1 11 26 1 12 27 1 13 22 1 13 24 2 14 23 1 14 25 2 15 20 1 16 26 1 17 27 1 18 28 1 19 30 1 19 31 1 20 21 1 21 24 1 21 31 2 22 26 2 23 27 2 25 29 1 28 29 2 28 31 1 29 30 1', '31 33 C:53 14.27 -7.56 C:62 9.42 -13.16 C:57 25.03 -9.68 C:57 19.03 -8.85 O 16.70 -8.99 O 19.36 -14.22 Br 13.04 -15.28 Br 21.39 -7.59 C:131 13.04 -11.09 C:130 21.39 -11.79 C:112 11.84 -11.79 C:112 22.61 -11.09 C:134 14.27 -13.18 C:135 20.18 -9.68 O 14.27 -8.96 O 10.63 -13.87 O 23.81 -8.99 O 17.82 -9.55 O 17.12 -13.10 C:168 15.49 -9.68 C:115 15.49 -11.09 C:113 13.04 -13.87 C:113 21.39 -8.99 C:125 14.27 -11.79 C:122 20.18 -11.09 C:157 11.84 -13.16 C:157 22.61 -9.68 C:163 17.82 -10.95 C:108 18.96 -11.79 C:167 18.52 -13.10 C:141 16.70 -11.79 1 15 1 2 16 1 3 17 1 4 18 1 5 20 2 6 30 2 7 22 1 8 23 1 9 11 2 9 24 1 10 12 2 10 25 1 11 26 1 12 27 1 13 22 1 13 24 2 14 23 1 14 25 2 15 20 1 16 26 1 17 27 1 18 28 1 19 30 1 19 31 1 20 21 1 21 24 1 21 31 2 22 26 2 23 27 2 25 29 1 28 29 2 28 31 1 29 30 1', 'C22H18Br2O7', 554.039, 'C', 'pm03_568_4', 4685, '', '', '1', 1, NULL, NULL),
(18614, '', '', 'Aromatics', 'Pulvinic acids', '', '[CH3:1001]O[C:1](=O)[C:2]([c:201]1[cH:206][cH:205][c:204](O[CH3:204001])[c:203](Br)[cH:202]1)=[c:3]3o[c:6](=O)[c:5]([c:101]2[cH:106][cH:105][c:104](O[CH3:104001])[c:103](Br)[cH:102]2)[c:4]3O', 'COC(=O)C(c1ccc(OC)c(Br)c1)=c3oc(=O)c(c2ccc(OC)c(Br)c2)c3O', '[CH3:55]O[C:172](=O)[C:115]([c:126]1[cH:131][cH:112][c:155](O[CH3:57])[c:112](Br)[cH:135]1)=[c:156]3o[c:166](=O)[c:104]([c:123]2[cH:129][cH:112][c:157](O[CH3:57])[c:112](Br)[cH:133]2)[c:160]3O', '30 32 C:1001 14.27 -7.56 C:204001 9.42 -13.16 C:104001 25.03 -9.68 O 16.70 -8.99 O 19.36 -14.22 O 17.82 -9.55 Br 13.04 -15.28 Br 21.39 -7.59 C:206 13.04 -11.09 C:106 21.39 -11.79 C:205 11.84 -11.79 C:105 22.61 -11.09 C:202 14.27 -13.18 C:102 20.18 -9.68 O 14.27 -8.96 O 10.63 -13.87 O 23.81 -8.99 O 17.12 -13.10 C:1 15.49 -9.68 C:2 15.49 -11.09 C:203 13.04 -13.87 C:103 21.39 -8.99 C:201 14.27 -11.79 C:101 20.18 -11.09 C:204 11.84 -13.16 C:104 22.61 -9.68 C:4 17.82 -10.95 C:5 18.96 -11.79 C:6 18.52 -13.10 C:3 16.70 -11.79 1 15 1 2 16 1 3 17 1 4 19 2 5 29 2 6 27 1 7 21 1 8 22 1 9 11 2 9 23 1 10 12 2 10 24 1 11 25 1 12 26 1 13 21 1 13 23 2 14 22 1 14 24 2 15 19 1 16 25 1 17 26 1 18 29 1 18 30 1 19 20 1 20 23 1 20 30 2 21 25 2 22 26 2 24 28 1 27 28 2 27 30 1 28 29 1', '30 32 C 14.27 -7.56 C 9.42 -13.16 C 25.03 -9.68 O 16.70 -8.99 O 19.36 -14.22 O 17.82 -9.55 Br 13.04 -15.28 Br 21.39 -7.59 C 13.04 -11.09 C 21.39 -11.79 C 11.84 -11.79 C 22.61 -11.09 C 14.27 -13.18 C 20.18 -9.68 O 14.27 -8.96 O 10.63 -13.87 O 23.81 -8.99 O 17.12 -13.10 C 15.49 -9.68 C 15.49 -11.09 C 13.04 -13.87 C 21.39 -8.99 C 14.27 -11.79 C 20.18 -11.09 C 11.84 -13.16 C 22.61 -9.68 C 17.82 -10.95 C 18.96 -11.79 C 18.52 -13.10 C 16.70 -11.79 1 15 1 2 16 1 3 17 1 4 19 2 5 29 2 6 27 1 7 21 1 8 22 1 9 11 2 9 23 1 10 12 2 10 24 1 11 25 1 12 26 1 13 21 1 13 23 2 14 22 1 14 24 2 15 19 1 16 25 1 17 26 1 18 29 1 18 30 1 19 20 1 20 23 1 20 30 2 21 25 2 22 26 2 24 28 1 27 28 2 27 30 1 28 29 1', '30 32 C:55 14.27 -7.56 C:57 9.42 -13.16 C:57 25.03 -9.68 O 16.70 -8.99 O 19.36 -14.22 O 17.82 -9.55 Br 13.04 -15.28 Br 21.39 -7.59 C:131 13.04 -11.09 C:129 21.39 -11.79 C:112 11.84 -11.79 C:112 22.61 -11.09 C:135 14.27 -13.18 C:133 20.18 -9.68 O 14.27 -8.96 O 10.63 -13.87 O 23.81 -8.99 O 17.12 -13.10 C:172 15.49 -9.68 C:115 15.49 -11.09 C:112 13.04 -13.87 C:112 21.39 -8.99 C:126 14.27 -11.79 C:123 20.18 -11.09 C:155 11.84 -13.16 C:157 22.61 -9.68 C:160 17.82 -10.95 C:104 18.96 -11.79 C:166 18.52 -13.10 C:156 16.70 -11.79 1 15 1 2 16 1 3 17 1 4 19 2 5 29 2 6 27 1 7 21 1 8 22 1 9 11 2 9 23 1 10 12 2 10 24 1 11 25 1 12 26 1 13 21 1 13 23 2 14 22 1 14 24 2 15 19 1 16 25 1 17 26 1 18 29 1 18 30 1 19 20 1 20 23 1 20 30 2 21 25 2 22 26 2 24 28 1 27 28 2 27 30 1 28 29 1', 'C21H16Br2O7', 540.029, 'C', 'pm03_568_5', 4685, '', '', '1', 1, NULL, NULL),
(18615, 'Leucasdin A', '(3S,6R,-8R,9R,13S,16S)-9,13,15,16-Bisepoxy-3,16-diacetoxy-6-formyloxylabdane', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@H:6](O[CH:6001]=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@:13]1([CH2:14][CH2:15]O[C@H:16]1O[C:16001]([CH3:16002])=O)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@H](OC=O)C[C@@H](C)[C@]2(CC[C@]1(CCO[C@H]1OC(C)=O)O2)[C@@]3(C)CC[C@H](OC(C)=O)[C@@]4(C)C', '[H][C@@:48]34[C@H:70](O[CH:161]=O)[CH2:37][C@@H:31]([CH3:17])[C@:93]2([CH2:29][CH2:37][C@:89]1([CH2:35][CH2:66]O[C@H:97]1O[C:171]([CH3:21])=O)O2)[C@@:42]3([CH3:20])[CH2:30][CH2:24][C@H:80](O[C:171]([CH3:21])=O)[C@@:38]4([CH3:18])[CH3:28]', '34 37 H 18.06 -14.48 C:3002 11.91 -14.20 C:16002 18.06 -5.13 C:17 21.82 -11.36 C:19 15.83 -15.29 C:18 17.78 -15.29 C:20 17.44 -10.83 O 18.11 -17.73 O 13.13 -12.10 O 20.50 -5.28 C:6001 18.11 -16.33 C:15 22.55 -8.63 C:2 15.55 -12.10 C:14 21.77 -9.81 C:1 16.80 -11.36 C:12 19.18 -9.06 C:11 18.45 -10.40 C:7 20.59 -13.50 O 19.32 -15.63 O 21.66 -7.55 O 14.34 -14.20 O 19.18 -7.28 O 20.59 -10.69 C:3001 13.13 -13.50 C:16001 19.18 -5.90 C:8 20.59 -12.10 C:3 15.55 -13.50 C:6 19.32 -14.23 C:16 20.35 -8.05 C:4 16.80 -14.23 C:10 18.06 -12.10 C:5 18.06 -13.50 C:13 20.42 -9.45 C:9 19.32 -11.36 32 1 -2 2 24 1 3 25 1 26 4 -2 30 5 -1 30 6 -2 31 7 -1 8 11 2 9 24 2 10 25 2 11 19 1 12 14 1 12 20 1 13 15 1 13 27 1 33 14 -2 15 31 1 16 17 1 16 33 1 34 17 -1 18 26 1 18 28 1 28 19 -1 20 29 1 21 24 1 27 21 -1 22 25 1 29 22 -2 23 33 1 34 23 -2 26 34 1 27 30 1 28 32 1 29 33 1 30 32 1 31 32 1 31 34 1', '34 37 H 18.06 -14.48 C 11.91 -14.20 C 18.06 -5.13 C 21.82 -11.36 C 15.83 -15.29 C 17.78 -15.29 C 17.44 -10.83 O 18.11 -17.73 O 13.13 -12.10 O 20.50 -5.28 C 18.11 -16.33 C 22.55 -8.63 C 15.55 -12.10 C 21.77 -9.81 C 16.80 -11.36 C 19.18 -9.06 C 18.45 -10.40 C 20.59 -13.50 O 19.32 -15.63 O 21.66 -7.55 O 14.34 -14.20 O 19.18 -7.28 O 20.59 -10.69 C 13.13 -13.50 C 19.18 -5.90 C 20.59 -12.10 C 15.55 -13.50 C 19.32 -14.23 C 20.35 -8.05 C 16.80 -14.23 C 18.06 -12.10 C 18.06 -13.50 C 20.42 -9.45 C 19.32 -11.36 32 1 -2 2 24 1 3 25 1 26 4 -2 30 5 -1 30 6 -2 31 7 -1 8 11 2 9 24 2 10 25 2 11 19 1 12 14 1 12 20 1 13 15 1 13 27 1 33 14 -2 15 31 1 16 17 1 16 33 1 34 17 -1 18 26 1 18 28 1 28 19 -1 20 29 1 21 24 1 27 21 -1 22 25 1 29 22 -2 23 33 1 34 23 -2 26 34 1 27 30 1 28 32 1 29 33 1 30 32 1 31 32 1 31 34 1', '34 37 H 18.06 -14.48 C:21 11.91 -14.20 C:21 18.06 -5.13 C:17 21.82 -11.36 C:18 15.83 -15.29 C:28 17.78 -15.29 C:20 17.44 -10.83 O 18.11 -17.73 O 13.13 -12.10 O 20.50 -5.28 C:161 18.11 -16.33 C:66 22.55 -8.63 C:24 15.55 -12.10 C:35 21.77 -9.81 C:30 16.80 -11.36 C:37 19.18 -9.06 C:29 18.45 -10.40 C:37 20.59 -13.50 O 19.32 -15.63 O 21.66 -7.55 O 14.34 -14.20 O 19.18 -7.28 O 20.59 -10.69 C:171 13.13 -13.50 C:171 19.18 -5.90 C:31 20.59 -12.10 C:80 15.55 -13.50 C:70 19.32 -14.23 C:97 20.35 -8.05 C:38 16.80 -14.23 C:42 18.06 -12.10 C:48 18.06 -13.50 C:89 20.42 -9.45 C:93 19.32 -11.36 32 1 -2 2 24 1 3 25 1 26 4 -2 30 5 -1 30 6 -2 31 7 -1 8 11 2 9 24 2 10 25 2 11 19 1 12 14 1 12 20 1 13 15 1 13 27 1 33 14 -2 15 31 1 16 17 1 16 33 1 34 17 -1 18 26 1 18 28 1 28 19 -1 20 29 1 21 24 1 27 21 -1 22 25 1 29 22 -2 23 33 1 34 23 -2 26 34 1 27 30 1 28 32 1 29 33 1 30 32 1 31 32 1 31 34 1', 'C25H38O8', 466.271, 'C', 'cpb06_1370_1', 4686, '', '', '1', 47, NULL, NULL),
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(18625, 'Leucastrin A', '(3S,17S,20S,24S)-3,20-Dihydroxy-24-methylprotost-25-en', 'Terpenoids', 'Triterpenoids', 'Protostanes', '[H][C@:17]1([C@@:20]([CH3:21])(O)[CH2:22][CH2:23][C@H:24]([CH3:24001])[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@@:14]4([CH3:30])[C@:13]1([H])[CH2:12][CH2:11][C@@:9]3([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][CH2:7][C@@:8]34[CH3:18]', '[H][C@]1([C@@](C)(O)CC[C@H](C)C(=C)C)CC[C@@]4(C)[C@]1([H])CC[C@@]3([H])[C@@]2(C)CC[C@H](O)[C@](C)(C)[C@]2([H])CC[C@@]34C', '[H][C@:48]1([C@@:75]([CH3:27])(O)[CH2:40][CH2:30][C@H:42]([CH3:20])[C:150](=[CH2:110])[CH3:19])[CH2:26][CH2:33][C@@:50]4([CH3:17])[C@:44]1([H])[CH2:26][CH2:24][C@@:46]3([H])[C@@:37]2([CH3:23])[CH2:33][CH2:29][C@H:79](O)[C@:39]([CH3:29])([CH3:16])[C@:48]2([H])[CH2:19][CH2:35][C@@:40]34[CH3:22]', '37 40 H 18.16 -10.78 H 17.01 -9.20 H 13.22 -14.94 H 14.52 -12.68 C:26 24.94 -9.65 C:27 23.06 -11.29 C:24001 23.02 -7.57 C:21 19.08 -6.98 C:28 12.72 -15.82 C:29 11.18 -15.77 C:19 13.22 -10.94 C:30 17.03 -13.12 C:18 15.76 -10.99 O 9.55 -14.60 O 17.67 -7.54 C:23 21.15 -9.17 C:2 10.75 -12.39 C:22 20.21 -8.13 C:12 15.76 -9.49 C:16 19.20 -10.94 C:11 14.52 -10.21 C:6 14.52 -14.56 C:1 11.98 -11.63 C:15 18.36 -12.07 C:7 15.76 -13.86 C:25 23.51 -9.96 C:24 22.56 -8.89 C:3 10.75 -13.86 C:20 18.79 -8.43 C:17 18.36 -9.78 C:13 17.01 -10.21 C:5 13.22 -13.86 C:9 14.52 -11.63 C:4 11.98 -14.56 C:10 13.22 -12.39 C:14 17.01 -11.63 C:8 15.76 -12.39 30 1 -2 31 2 -1 32 3 -2 33 4 -1 5 26 2 6 26 1 27 7 -2 29 8 -2 34 9 -2 34 10 -1 35 11 -1 36 12 -1 37 13 -2 28 14 -1 29 15 -1 16 18 1 16 27 1 17 23 1 17 28 1 18 29 1 19 21 1 19 31 1 20 24 1 20 30 1 21 33 1 22 25 1 22 32 1 23 35 1 24 36 1 25 37 1 26 27 1 28 34 1 29 30 1 30 31 1 31 36 1 32 34 1 32 35 1 33 35 1 33 37 1 36 37 1', '37 40 H 18.16 -10.78 H 17.01 -9.20 H 13.22 -14.94 H 14.52 -12.68 C 24.94 -9.65 C 23.06 -11.29 C 23.02 -7.57 C 19.08 -6.98 C 12.72 -15.82 C 11.18 -15.77 C 13.22 -10.94 C 17.03 -13.12 C 15.76 -10.99 O 9.55 -14.60 O 17.67 -7.54 C 21.15 -9.17 C 10.75 -12.39 C 20.21 -8.13 C 15.76 -9.49 C 19.20 -10.94 C 14.52 -10.21 C 14.52 -14.56 C 11.98 -11.63 C 18.36 -12.07 C 15.76 -13.86 C 23.51 -9.96 C 22.56 -8.89 C 10.75 -13.86 C 18.79 -8.43 C 18.36 -9.78 C 17.01 -10.21 C 13.22 -13.86 C 14.52 -11.63 C 11.98 -14.56 C 13.22 -12.39 C 17.01 -11.63 C 15.76 -12.39 30 1 -2 31 2 -1 32 3 -2 33 4 -1 5 26 2 6 26 1 27 7 -2 29 8 -2 34 9 -2 34 10 -1 35 11 -1 36 12 -1 37 13 -2 28 14 -1 29 15 -1 16 18 1 16 27 1 17 23 1 17 28 1 18 29 1 19 21 1 19 31 1 20 24 1 20 30 1 21 33 1 22 25 1 22 32 1 23 35 1 24 36 1 25 37 1 26 27 1 28 34 1 29 30 1 30 31 1 31 36 1 32 34 1 32 35 1 33 35 1 33 37 1 36 37 1', '37 40 H 18.16 -10.78 H 17.01 -9.20 H 13.22 -14.94 H 14.52 -12.68 C:110 24.94 -9.65 C:19 23.06 -11.29 C:20 23.02 -7.57 C:27 19.08 -6.98 C:29 12.72 -15.82 C:16 11.18 -15.77 C:23 13.22 -10.94 C:17 17.03 -13.12 C:22 15.76 -10.99 O 9.55 -14.60 O 17.67 -7.54 C:30 21.15 -9.17 C:29 10.75 -12.39 C:40 20.21 -8.13 C:26 15.76 -9.49 C:26 19.20 -10.94 C:24 14.52 -10.21 C:19 14.52 -14.56 C:33 11.98 -11.63 C:33 18.36 -12.07 C:35 15.76 -13.86 C:150 23.51 -9.96 C:42 22.56 -8.89 C:79 10.75 -13.86 C:75 18.79 -8.43 C:48 18.36 -9.78 C:44 17.01 -10.21 C:48 13.22 -13.86 C:46 14.52 -11.63 C:39 11.98 -14.56 C:37 13.22 -12.39 C:50 17.01 -11.63 C:40 15.76 -12.39 30 1 -2 31 2 -1 32 3 -2 33 4 -1 5 26 2 6 26 1 27 7 -2 29 8 -2 34 9 -2 34 10 -1 35 11 -1 36 12 -1 37 13 -2 28 14 -1 29 15 -1 16 18 1 16 27 1 17 23 1 17 28 1 18 29 1 19 21 1 19 31 1 20 24 1 20 30 1 21 33 1 22 25 1 22 32 1 23 35 1 24 36 1 25 37 1 26 27 1 28 34 1 29 30 1 30 31 1 31 36 1 32 34 1 32 35 1 33 35 1 33 37 1 36 37 1', 'C31H54O2', 458.362, 'C', 'cpb06_1370_4', 4686, '', '', '1', 47, NULL, NULL),
(18626, '3,20-Ditrimethylsilyl Leucastrin A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@:20]([CH3:21])([CH2:22][CH2:23][C@H:24]([CH3:24001])[C:25](=[CH2:26])[CH3:27])O[Si]([CH3:20003])([CH3:20002])[CH3:20001])[CH2:16][CH2:15][C@@:14]4([CH3:30])[C@:13]1([H])[CH2:12][CH2:11][C@@:9]3([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O[Si]([CH3:3002])([CH3:3003])[CH3:3001])[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][CH2:7][C@@:8]34[CH3:18]', '[H][C@]1([C@](C)(CC[C@H](C)C(=C)C)OS(C)(C)C)CC[C@@]4(C)[C@]1([H])CC[C@@]3([H])[C@@]2(C)CC[C@H](OS(C)(C)C)[C@](C)(C)[C@]2([H])CC[C@@]34C', '[H][C@:48]1([C@:79]([CH3:28])([CH2:42][CH2:30][C@H:42]([CH3:20])[C:150](=[CH2:109])[CH3:19])O[Si]([CH3:3])([CH3:3])[CH3:3])[CH2:26][CH2:33][C@@:50]4([CH3:18])[C@:44]1([H])[CH2:26][CH2:24][C@@:46]3([H])[C@@:37]2([CH3:23])[CH2:33][CH2:31][C@H:80](O[Si]([CH3:1])([CH3:1])[CH3:1])[C@:40]([CH3:30])([CH3:17])[C@:48]2([H])[CH2:19][CH2:35][C@@:40]34[CH3:22]', '45 48 H 19.37 -11.88 H 18.22 -10.31 H 14.44 -16.04 H 15.73 -13.79 C:26 26.14 -10.76 C:27 24.27 -12.39 C:24001 24.23 -8.68 C:21 20.29 -8.09 C:28 13.94 -16.92 C:29 12.40 -16.87 C:19 14.44 -12.04 C:30 18.24 -14.23 C:18 16.97 -12.09 C:3002 8.30 -14.38 C:3003 9.50 -13.65 C:3001 8.34 -15.77 C:20003 19.29 -5.88 C:20002 20.41 -6.75 C:20001 17.99 -6.39 C:23 22.36 -10.28 C:2 11.98 -13.50 C:22 21.42 -9.24 C:12 16.97 -10.60 C:16 20.41 -12.04 C:11 15.73 -11.31 C:6 15.73 -15.66 C:1 13.20 -12.73 C:15 19.57 -13.18 C:7 16.97 -14.96 O 10.78 -15.70 O 18.88 -8.65 C:25 24.71 -11.06 C:24 23.77 -10.00 C:3 11.98 -14.96 C:17 19.57 -10.88 C:13 18.22 -11.31 C:5 14.44 -14.96 C:9 15.73 -12.73 C:20 20.00 -9.54 C:4 13.20 -15.66 C:10 14.44 -13.50 C:14 18.22 -12.73 C:8 16.97 -13.50 Si 9.54 -15.04 Si 19.09 -7.27 35 1 -2 36 2 -1 37 3 -2 38 4 -1 5 32 2 6 32 1 33 7 -2 39 8 -2 40 9 -2 40 10 -1 41 11 -1 42 12 -1 43 13 -2 14 44 1 15 44 1 16 44 1 17 45 1 18 45 1 19 45 1 20 22 1 20 33 1 21 27 1 21 34 1 22 39 1 23 25 1 23 36 1 24 28 1 24 35 1 25 38 1 26 29 1 26 37 1 27 41 1 28 42 1 29 43 1 34 30 -1 30 44 1 39 31 -1 31 45 1 32 33 1 34 40 1 35 36 1 35 39 1 36 42 1 37 40 1 37 41 1 38 41 1 38 43 1 42 43 1', '45 48 H 19.37 -11.88 H 18.22 -10.31 H 14.44 -16.04 H 15.73 -13.79 C 26.14 -10.76 C 24.27 -12.39 C 24.23 -8.68 C 20.29 -8.09 C 13.94 -16.92 C 12.40 -16.87 C 14.44 -12.04 C 18.24 -14.23 C 16.97 -12.09 C 8.30 -14.38 C 9.50 -13.65 C 8.34 -15.77 C 19.29 -5.88 C 20.41 -6.75 C 17.99 -6.39 C 22.36 -10.28 C 11.98 -13.50 C 21.42 -9.24 C 16.97 -10.60 C 20.41 -12.04 C 15.73 -11.31 C 15.73 -15.66 C 13.20 -12.73 C 19.57 -13.18 C 16.97 -14.96 O 10.78 -15.70 O 18.88 -8.65 C 24.71 -11.06 C 23.77 -10.00 C 11.98 -14.96 C 19.57 -10.88 C 18.22 -11.31 C 14.44 -14.96 C 15.73 -12.73 C 20.00 -9.54 C 13.20 -15.66 C 14.44 -13.50 C 18.22 -12.73 C 16.97 -13.50 Si 9.54 -15.04 Si 19.09 -7.27 35 1 -2 36 2 -1 37 3 -2 38 4 -1 5 32 2 6 32 1 33 7 -2 39 8 -2 40 9 -2 40 10 -1 41 11 -1 42 12 -1 43 13 -2 14 44 1 15 44 1 16 44 1 17 45 1 18 45 1 19 45 1 20 22 1 20 33 1 21 27 1 21 34 1 22 39 1 23 25 1 23 36 1 24 28 1 24 35 1 25 38 1 26 29 1 26 37 1 27 41 1 28 42 1 29 43 1 34 30 -1 30 44 1 39 31 -1 31 45 1 32 33 1 34 40 1 35 36 1 35 39 1 36 42 1 37 40 1 37 41 1 38 41 1 38 43 1 42 43 1', '45 48 H 19.37 -11.88 H 18.22 -10.31 H 14.44 -16.04 H 15.73 -13.79 C:109 26.14 -10.76 C:19 24.27 -12.39 C:20 24.23 -8.68 C:28 20.29 -8.09 C:30 13.94 -16.92 C:17 12.40 -16.87 C:23 14.44 -12.04 C:18 18.24 -14.23 C:22 16.97 -12.09 C:1 8.30 -14.38 C:1 9.50 -13.65 C:1 8.34 -15.77 C:3 19.29 -5.88 C:3 20.41 -6.75 C:3 17.99 -6.39 C:30 22.36 -10.28 C:31 11.98 -13.50 C:42 21.42 -9.24 C:26 16.97 -10.60 C:26 20.41 -12.04 C:24 15.73 -11.31 C:19 15.73 -15.66 C:33 13.20 -12.73 C:33 19.57 -13.18 C:35 16.97 -14.96 O 10.78 -15.70 O 18.88 -8.65 C:150 24.71 -11.06 C:42 23.77 -10.00 C:80 11.98 -14.96 C:48 19.57 -10.88 C:44 18.22 -11.31 C:48 14.44 -14.96 C:46 15.73 -12.73 C:79 20.00 -9.54 C:40 13.20 -15.66 C:37 14.44 -13.50 C:50 18.22 -12.73 C:40 16.97 -13.50 Si 9.54 -15.04 Si 19.09 -7.27 35 1 -2 36 2 -1 37 3 -2 38 4 -1 5 32 2 6 32 1 33 7 -2 39 8 -2 40 9 -2 40 10 -1 41 11 -1 42 12 -1 43 13 -2 14 44 1 15 44 1 16 44 1 17 45 1 18 45 1 19 45 1 20 22 1 20 33 1 21 27 1 21 34 1 22 39 1 23 25 1 23 36 1 24 28 1 24 35 1 25 38 1 26 29 1 26 37 1 27 41 1 28 42 1 29 43 1 34 30 -1 30 44 1 39 31 -1 31 45 1 32 33 1 34 40 1 35 36 1 35 39 1 36 42 1 37 40 1 37 41 1 38 41 1 38 43 1 42 43 1', 'C37H70O2S2', 610.558, 'C', 'cpb06_1370_4a', 4686, '', '', '1', 47, NULL, NULL),
(18627, 'Leucastrin B', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@@:20]([CH3:21])(O)[CH2:22][CH2:23][C@H:24](O)[C:25](=[CH2:26])[CH3:27])[CH2:16][CH2:15][C@@:14]4([CH3:30])[C@:13]1([H])[CH2:12][CH2:11][C@@:9]3([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]2([H])[CH2:6][CH2:7][C@@:8]34[CH3:18]', '[H][C@]1([C@@](C)(O)CC[C@H](O)C(=C)C)CC[C@@]4(C)[C@]1([H])CC[C@@]3([H])[C@@]2(C)CC[C@H](O)[C@](C)(C)[C@]2([H])CC[C@@]34C', '[H][C@:49]1([C@@:75]([CH3:27])(O)[CH2:37][CH2:29][C@H:76](O)[C:148](=[CH2:111])[CH3:18])[CH2:26][CH2:32][C@@:50]4([CH3:18])[C@:43]1([H])[CH2:26][CH2:24][C@@:46]3([H])[C@@:37]2([CH3:23])[CH2:33][CH2:29][C@H:79](O)[C@:39]([CH3:29])([CH3:16])[C@:48]2([H])[CH2:19][CH2:35][C@@:40]34[CH3:22]', '37 40 H 18.15 -10.82 H 17.00 -9.25 H 13.22 -14.99 H 14.51 -12.73 C:26 24.91 -9.70 C:27 23.04 -11.33 C:21 19.07 -7.03 C:28 12.72 -15.87 C:29 11.18 -15.82 C:19 13.22 -10.98 C:30 17.02 -13.18 C:18 15.75 -11.03 O 23.00 -7.62 O 9.55 -14.65 O 17.66 -7.59 C:23 21.14 -9.22 C:2 10.76 -12.44 C:22 20.20 -8.18 C:12 15.75 -9.54 C:16 19.19 -10.98 C:11 14.51 -10.25 C:6 14.51 -14.61 C:1 11.98 -11.67 C:15 18.35 -12.12 C:7 15.75 -13.91 C:25 23.48 -10.00 C:24 22.54 -8.94 C:3 10.76 -13.91 C:20 18.78 -8.48 C:17 18.35 -9.82 C:13 17.00 -10.25 C:5 13.22 -13.91 C:9 14.51 -11.67 C:4 11.98 -14.61 C:10 13.22 -12.44 C:14 17.00 -11.67 C:8 15.75 -12.44 30 1 -2 31 2 -1 32 3 -2 33 4 -1 5 26 2 6 26 1 29 7 -2 34 8 -2 34 9 -1 35 10 -1 36 11 -1 37 12 -2 27 13 -2 28 14 -1 29 15 -1 16 18 1 16 27 1 17 23 1 17 28 1 18 29 1 19 21 1 19 31 1 20 24 1 20 30 1 21 33 1 22 25 1 22 32 1 23 35 1 24 36 1 25 37 1 26 27 1 28 34 1 29 30 1 30 31 1 31 36 1 32 34 1 32 35 1 33 35 1 33 37 1 36 37 1', '37 40 H 18.15 -10.82 H 17.00 -9.25 H 13.22 -14.99 H 14.51 -12.73 C 24.91 -9.70 C 23.04 -11.33 C 19.07 -7.03 C 12.72 -15.87 C 11.18 -15.82 C 13.22 -10.98 C 17.02 -13.18 C 15.75 -11.03 O 23.00 -7.62 O 9.55 -14.65 O 17.66 -7.59 C 21.14 -9.22 C 10.76 -12.44 C 20.20 -8.18 C 15.75 -9.54 C 19.19 -10.98 C 14.51 -10.25 C 14.51 -14.61 C 11.98 -11.67 C 18.35 -12.12 C 15.75 -13.91 C 23.48 -10.00 C 22.54 -8.94 C 10.76 -13.91 C 18.78 -8.48 C 18.35 -9.82 C 17.00 -10.25 C 13.22 -13.91 C 14.51 -11.67 C 11.98 -14.61 C 13.22 -12.44 C 17.00 -11.67 C 15.75 -12.44 30 1 -2 31 2 -1 32 3 -2 33 4 -1 5 26 2 6 26 1 29 7 -2 34 8 -2 34 9 -1 35 10 -1 36 11 -1 37 12 -2 27 13 -2 28 14 -1 29 15 -1 16 18 1 16 27 1 17 23 1 17 28 1 18 29 1 19 21 1 19 31 1 20 24 1 20 30 1 21 33 1 22 25 1 22 32 1 23 35 1 24 36 1 25 37 1 26 27 1 28 34 1 29 30 1 30 31 1 31 36 1 32 34 1 32 35 1 33 35 1 33 37 1 36 37 1', '37 40 H 18.15 -10.82 H 17.00 -9.25 H 13.22 -14.99 H 14.51 -12.73 C:111 24.91 -9.70 C:18 23.04 -11.33 C:27 19.07 -7.03 C:29 12.72 -15.87 C:16 11.18 -15.82 C:23 13.22 -10.98 C:18 17.02 -13.18 C:22 15.75 -11.03 O 23.00 -7.62 O 9.55 -14.65 O 17.66 -7.59 C:29 21.14 -9.22 C:29 10.76 -12.44 C:37 20.20 -8.18 C:26 15.75 -9.54 C:26 19.19 -10.98 C:24 14.51 -10.25 C:19 14.51 -14.61 C:33 11.98 -11.67 C:32 18.35 -12.12 C:35 15.75 -13.91 C:148 23.48 -10.00 C:76 22.54 -8.94 C:79 10.76 -13.91 C:75 18.78 -8.48 C:49 18.35 -9.82 C:43 17.00 -10.25 C:48 13.22 -13.91 C:46 14.51 -11.67 C:39 11.98 -14.61 C:37 13.22 -12.44 C:50 17.00 -11.67 C:40 15.75 -12.44 30 1 -2 31 2 -1 32 3 -2 33 4 -1 5 26 2 6 26 1 29 7 -2 34 8 -2 34 9 -1 35 10 -1 36 11 -1 37 12 -2 27 13 -2 28 14 -1 29 15 -1 16 18 1 16 27 1 17 23 1 17 28 1 18 29 1 19 21 1 19 31 1 20 24 1 20 30 1 21 33 1 22 25 1 22 32 1 23 35 1 24 36 1 25 37 1 26 27 1 28 34 1 29 30 1 30 31 1 31 36 1 32 34 1 32 35 1 33 35 1 33 37 1 36 37 1', 'C30H52O3', 460.351, 'C', 'cpb06_1370_5', 4686, '', '', '1', 47, 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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4689, '', '', '1', 47, NULL, NULL),
(18638, 'Daedaleanic Acid A', '16R-hydroxy-24-methylene-3-oxo-19(10-->5)abeo-4,5-secolanosta-5,7,9-trien-21-oic acid', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]2([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[C:21](=O)O)[C@H:16](O)[CH2:15][C@@:14]3([CH3:30])[c:8]1[cH:7][cH:6][c:5]([CH3:19])[c:10]([CH2:1][CH2:2][C:3](=O)[CH:4]([CH3:29])[CH3:28])[c:9]1[CH2:11][CH2:12][C@:13]23[CH3:18]', '[H][C@]2([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]3(C)c1ccc(C)c(CCC(=O)C(C)C)c1CC[C@]23C', '[H][C@:57]2([C@@H:49]([CH2:32][CH2:33][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:179](=O)O)[C@H:77](O)[CH2:45][C@@:49]3([CH3:29])[c:146]1[cH:123][cH:128][c:133]([CH3:20])[c:138]([CH2:24][CH2:39][C:213](=O)[CH:41]([CH3:18])[CH3:18])[c:133]1[CH2:23][CH2:30][C@:45]23[CH3:18]', '36 38 H 19.38 -11.89 C:24001 24.20 -8.74 C:19 13.31 -15.62 C:26 26.06 -10.79 C:27 24.23 -12.41 C:29 9.71 -14.95 C:28 8.45 -12.87 C:30 18.27 -14.21 C:18 18.25 -9.94 O 19.49 -7.24 O 10.88 -11.41 O 17.73 -8.87 O 21.78 -12.03 C:6 15.79 -15.62 C:7 17.02 -14.94 C:23 22.36 -10.31 C:2 12.08 -13.48 C:1 13.31 -12.74 C:11 15.79 -11.34 C:22 21.42 -9.28 C:12 17.02 -10.63 C:15 19.58 -13.17 C:24 23.74 -10.03 C:21 19.08 -8.57 C:3 10.88 -12.81 C:5 14.53 -14.94 C:10 14.53 -13.48 C:9 15.79 -12.74 C:8 17.02 -13.48 C:25 24.67 -11.09 C:4 9.68 -13.55 C:16 20.41 -12.05 C:20 20.00 -9.58 C:17 19.58 -10.91 C:14 18.25 -12.74 C:13 18.25 -11.34 34 1 -2 2 23 2 3 26 1 4 30 1 5 30 1 6 31 1 7 31 1 35 8 -2 36 9 -1 10 24 2 11 25 2 12 24 1 32 13 -2 14 15 1 14 26 2 15 29 2 16 20 1 16 23 1 17 18 1 17 25 1 18 27 1 19 21 1 19 28 1 20 33 1 21 36 1 22 32 1 22 35 1 23 30 1 33 24 -2 25 31 1 26 27 1 27 28 2 28 29 1 29 35 1 32 34 1 33 34 1 34 36 1 35 36 1', '36 38 H 19.38 -11.89 C 24.20 -8.74 C 13.31 -15.62 C 26.06 -10.79 C 24.23 -12.41 C 9.71 -14.95 C 8.45 -12.87 C 18.27 -14.21 C 18.25 -9.94 O 19.49 -7.24 O 10.88 -11.41 O 17.73 -8.87 O 21.78 -12.03 C 15.79 -15.62 C 17.02 -14.94 C 22.36 -10.31 C 12.08 -13.48 C 13.31 -12.74 C 15.79 -11.34 C 21.42 -9.28 C 17.02 -10.63 C 19.58 -13.17 C 23.74 -10.03 C 19.08 -8.57 C 10.88 -12.81 C 14.53 -14.94 C 14.53 -13.48 C 15.79 -12.74 C 17.02 -13.48 C 24.67 -11.09 C 9.68 -13.55 C 20.41 -12.05 C 20.00 -9.58 C 19.58 -10.91 C 18.25 -12.74 C 18.25 -11.34 34 1 -2 2 23 2 3 26 1 4 30 1 5 30 1 6 31 1 7 31 1 35 8 -2 36 9 -1 10 24 2 11 25 2 12 24 1 32 13 -2 14 15 1 14 26 2 15 29 2 16 20 1 16 23 1 17 18 1 17 25 1 18 27 1 19 21 1 19 28 1 20 33 1 21 36 1 22 32 1 22 35 1 23 30 1 33 24 -2 25 31 1 26 27 1 27 28 2 28 29 1 29 35 1 32 34 1 33 34 1 34 36 1 35 36 1', '36 38 H 19.38 -11.89 C:107 24.20 -8.74 C:20 13.31 -15.62 C:22 26.06 -10.79 C:22 24.23 -12.41 C:18 9.71 -14.95 C:18 8.45 -12.87 C:29 18.27 -14.21 C:18 18.25 -9.94 O 19.49 -7.24 O 10.88 -11.41 O 17.73 -8.87 O 21.78 -12.03 C:128 15.79 -15.62 C:123 17.02 -14.94 C:33 22.36 -10.31 C:39 12.08 -13.48 C:24 13.31 -12.74 C:23 15.79 -11.34 C:32 21.42 -9.28 C:30 17.02 -10.63 C:45 19.58 -13.17 C:156 23.74 -10.03 C:179 19.08 -8.57 C:213 10.88 -12.81 C:133 14.53 -14.94 C:138 14.53 -13.48 C:133 15.79 -12.74 C:146 17.02 -13.48 C:34 24.67 -11.09 C:41 9.68 -13.55 C:77 20.41 -12.05 C:49 20.00 -9.58 C:57 19.58 -10.91 C:49 18.25 -12.74 C:45 18.25 -11.34 34 1 -2 2 23 2 3 26 1 4 30 1 5 30 1 6 31 1 7 31 1 35 8 -2 36 9 -1 10 24 2 11 25 2 12 24 1 32 13 -2 14 15 1 14 26 2 15 29 2 16 20 1 16 23 1 17 18 1 17 25 1 18 27 1 19 21 1 19 28 1 20 33 1 21 36 1 22 32 1 22 35 1 23 30 1 33 24 -2 25 31 1 26 27 1 27 28 2 28 29 1 29 35 1 32 34 1 33 34 1 34 36 1 35 36 1', 'C31H46O4', 482.337, 'P', 'np05_911_1', 4690, '', '', '1', 47, NULL, NULL),
(18639, 'Daedaleaside A', '16R-acetoxy-24-methylene-3-oxo-19(10-->5)abeo-4,5-secolanosta-5,7,9-trien-21-oic acid 21-O-β-D-glucopyranoside.', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]3([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[C:21](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]4([CH3:30])[c:8]2[cH:7][cH:6][c:5]([CH3:19])[c:10]([CH2:1][CH2:2][C:3](=O)[CH:4]([CH3:28])[CH3:29])[c:9]2[CH2:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@@H](CCC(=C)C(C)C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](OC(C)=O)C[C@@]4(C)c2ccc(C)c(CCC(=O)C(C)C)c2CC[C@]34C', '[H][C@:54]3([C@@H:47]([CH2:31][CH2:32][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:175](=O)O[C@@H:96]1O[C@H:79]([CH2:63]O)[C@@H:71](O)[C@H:79](O)[C@H:74]1O)[C@H:79](O[C:171]([CH3:21])=O)[CH2:42][C@@:49]4([CH3:29])[c:145]2[cH:123][cH:128][c:133]([CH3:20])[c:138]([CH2:24][CH2:39][C:213](=O)[CH:41]([CH3:18])[CH3:18])[c:133]2[CH2:23][CH2:29][C@:45]34[CH3:18]', '50 53 H 19.37 -13.56 C:24001 24.19 -10.41 C:16002 23.89 -14.90 C:19 13.30 -17.29 C:27 24.22 -14.08 C:26 26.05 -12.46 C:28 8.44 -14.54 C:29 9.70 -16.63 C:30 18.26 -15.89 C:18 18.26 -11.61 O 21.81 -16.13 O 10.87 -13.08 O 19.48 -8.91 O 18.04 -5.52 O 13.94 -6.41 O 13.09 -9.09 O 15.00 -11.15 C:6 15.79 -17.29 C:7 17.01 -16.63 C:106 16.68 -5.81 C:2 12.07 -15.15 C:23 22.35 -11.98 C:1 13.30 -14.41 C:11 15.79 -13.01 C:22 21.41 -10.95 C:12 17.01 -12.30 C:15 19.57 -14.84 O 21.77 -13.72 O 17.72 -10.54 O 17.19 -8.17 C:16001 22.49 -14.90 C:24 23.73 -11.70 C:3 10.87 -14.48 C:21 19.07 -10.24 C:5 14.52 -16.63 C:8 17.01 -15.15 C:10 14.52 -15.15 C:9 15.79 -14.41 C:25 24.66 -12.76 C:4 9.67 -15.23 C:105 16.26 -7.14 C:104 14.88 -7.44 C:103 14.46 -8.78 C:102 15.42 -9.81 C:101 16.77 -9.51 C:16 20.40 -13.72 C:20 19.99 -11.25 C:17 19.57 -12.58 C:14 18.26 -14.41 C:13 18.26 -13.01 48 1 -2 2 32 2 3 31 1 4 35 1 5 39 1 6 39 1 7 40 1 8 40 1 49 9 -2 50 10 -1 11 31 2 12 33 2 13 34 2 14 20 1 42 15 -2 43 16 -1 44 17 -2 18 19 1 18 35 2 19 36 2 41 20 -1 21 23 1 21 33 1 22 25 1 22 32 1 23 37 1 24 26 1 24 38 1 25 47 1 26 50 1 27 46 1 27 49 1 28 31 1 46 28 -2 29 34 1 45 29 -1 30 41 1 30 45 1 32 39 1 33 40 1 47 34 -2 35 37 1 36 38 1 36 49 1 37 38 2 41 42 1 42 43 1 43 44 1 44 45 1 46 48 1 47 48 1 48 50 1 49 50 1', '50 53 H 19.37 -13.56 C 24.19 -10.41 C 23.89 -14.90 C 13.30 -17.29 C 24.22 -14.08 C 26.05 -12.46 C 8.44 -14.54 C 9.70 -16.63 C 18.26 -15.89 C 18.26 -11.61 O 21.81 -16.13 O 10.87 -13.08 O 19.48 -8.91 O 18.04 -5.52 O 13.94 -6.41 O 13.09 -9.09 O 15.00 -11.15 C 15.79 -17.29 C 17.01 -16.63 C 16.68 -5.81 C 12.07 -15.15 C 22.35 -11.98 C 13.30 -14.41 C 15.79 -13.01 C 21.41 -10.95 C 17.01 -12.30 C 19.57 -14.84 O 21.77 -13.72 O 17.72 -10.54 O 17.19 -8.17 C 22.49 -14.90 C 23.73 -11.70 C 10.87 -14.48 C 19.07 -10.24 C 14.52 -16.63 C 17.01 -15.15 C 14.52 -15.15 C 15.79 -14.41 C 24.66 -12.76 C 9.67 -15.23 C 16.26 -7.14 C 14.88 -7.44 C 14.46 -8.78 C 15.42 -9.81 C 16.77 -9.51 C 20.40 -13.72 C 19.99 -11.25 C 19.57 -12.58 C 18.26 -14.41 C 18.26 -13.01 48 1 -2 2 32 2 3 31 1 4 35 1 5 39 1 6 39 1 7 40 1 8 40 1 49 9 -2 50 10 -1 11 31 2 12 33 2 13 34 2 14 20 1 42 15 -2 43 16 -1 44 17 -2 18 19 1 18 35 2 19 36 2 41 20 -1 21 23 1 21 33 1 22 25 1 22 32 1 23 37 1 24 26 1 24 38 1 25 47 1 26 50 1 27 46 1 27 49 1 28 31 1 46 28 -2 29 34 1 45 29 -1 30 41 1 30 45 1 32 39 1 33 40 1 47 34 -2 35 37 1 36 38 1 36 49 1 37 38 2 41 42 1 42 43 1 43 44 1 44 45 1 46 48 1 47 48 1 48 50 1 49 50 1', '50 53 H 19.37 -13.56 C:107 24.19 -10.41 C:21 23.89 -14.90 C:20 13.30 -17.29 C:22 24.22 -14.08 C:22 26.05 -12.46 C:18 8.44 -14.54 C:18 9.70 -16.63 C:29 18.26 -15.89 C:18 18.26 -11.61 O 21.81 -16.13 O 10.87 -13.08 O 19.48 -8.91 O 18.04 -5.52 O 13.94 -6.41 O 13.09 -9.09 O 15.00 -11.15 C:128 15.79 -17.29 C:123 17.01 -16.63 C:63 16.68 -5.81 C:39 12.07 -15.15 C:32 22.35 -11.98 C:24 13.30 -14.41 C:23 15.79 -13.01 C:31 21.41 -10.95 C:29 17.01 -12.30 C:42 19.57 -14.84 O 21.77 -13.72 O 17.72 -10.54 O 17.19 -8.17 C:171 22.49 -14.90 C:156 23.73 -11.70 C:213 10.87 -14.48 C:175 19.07 -10.24 C:133 14.52 -16.63 C:145 17.01 -15.15 C:138 14.52 -15.15 C:133 15.79 -14.41 C:34 24.66 -12.76 C:41 9.67 -15.23 C:79 16.26 -7.14 C:71 14.88 -7.44 C:79 14.46 -8.78 C:74 15.42 -9.81 C:96 16.77 -9.51 C:79 20.40 -13.72 C:47 19.99 -11.25 C:54 19.57 -12.58 C:49 18.26 -14.41 C:45 18.26 -13.01 48 1 -2 2 32 2 3 31 1 4 35 1 5 39 1 6 39 1 7 40 1 8 40 1 49 9 -2 50 10 -1 11 31 2 12 33 2 13 34 2 14 20 1 42 15 -2 43 16 -1 44 17 -2 18 19 1 18 35 2 19 36 2 41 20 -1 21 23 1 21 33 1 22 25 1 22 32 1 23 37 1 24 26 1 24 38 1 25 47 1 26 50 1 27 46 1 27 49 1 28 31 1 46 28 -2 29 34 1 45 29 -1 30 41 1 30 45 1 32 39 1 33 40 1 47 34 -2 35 37 1 36 38 1 36 49 1 37 38 2 41 42 1 42 43 1 43 44 1 44 45 1 46 48 1 47 48 1 48 50 1 49 50 1', 'C39H58O10', 686.419, 'P', 'np05_911_2', 4690, '', '', '1', 47, 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
(18640, 'Daedaleaside B', '16R-acetoxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid 21-O-β-D-glucopyranoside', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@@:5]45[CH2:6][CH:7]=[C:8]2[C:9](=[CH:11][CH2:12][C@:13]3([CH3:18])[C@@:17]([H])([C@@H:20]([CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:27])[CH3:26])[C:21](=O)O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@H:16](O[C:16001]([CH3:16002])=O)[CH2:15][C@@:14]23[CH3:30])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]5([CH3:29])[CH3:28]', '[H][C@@]45CC=C2C(=CC[C@]3(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](OC(C)=O)C[C@@]23C)[C@@]4(C)CCC(=O)[C@@]5(C)C', '[H][C@@:51]45[CH2:24][CH:121]=[C:142]2[C:144](=[CH:118][CH2:36][C@:45]3([CH3:18])[C@@:54]([H])([C@@H:47]([CH2:31][CH2:32][C:156](=[CH2:107])[CH:34]([CH3:22])[CH3:22])[C:175](=O)O[C@@H:96]1O[C@H:79]([CH2:63]O)[C@@H:71](O)[C@H:79](O)[C@H:74]1O)[C@H:79](O[C:170]([CH3:21])=O)[CH2:41][C@@:49]23[CH3:26])[C@@:37]4([CH3:22])[CH2:37][CH2:35][C:215](=O)[C@@:47]5([CH3:22])[CH3:26]', '51 55 H 13.25 -17.08 H 18.14 -12.96 C:24001 22.99 -9.80 C:16002 22.63 -14.31 C:27 23.02 -13.48 C:26 24.86 -11.87 C:29 11.24 -17.91 C:28 12.75 -17.96 C:19 13.25 -13.12 C:30 17.02 -15.29 C:18 17.00 -11.02 O 20.55 -15.50 O 9.63 -16.73 O 18.24 -8.31 O 16.81 -4.88 O 11.85 -8.47 O 12.70 -5.77 O 13.73 -10.52 C:7 15.75 -16.01 C:11 14.53 -12.41 C:106 15.44 -5.18 C:23 21.11 -11.38 C:2 10.81 -14.56 C:6 14.53 -16.70 C:12 15.75 -11.70 C:22 20.16 -10.35 C:1 12.03 -13.81 C:15 18.33 -14.24 O 20.55 -13.09 O 16.47 -9.93 O 15.96 -7.55 C:16001 21.25 -14.29 C:24 22.51 -11.11 C:3 10.81 -16.01 C:21 17.83 -9.63 C:9 14.53 -13.81 C:8 15.75 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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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