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
(5094, 'Peltastine A', 'alpha-amyrin 5-phenylpenta-2,4-dienoate', 'Terpenoids', 'Triterpenoids', 'Ursanes', '[H][C@@:5]46[CH2:6][CH2:7][C@@:8]3([CH3:26])[C@:14]2([CH3:27])[CH2:15][CH2:16][C@@:17]1([CH3:28])[CH2:22][CH2:21][C@@H:20]([CH3:30])[C@H:19]([CH3:29])[C@@:18]1([H])[C:13]2=[CH:12][CH2:11][C@:9]3([H])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[CH:3002]=[CH:3003][CH:3004]=[CH:3005][c:3006]5[cH:3007][cH:3008][cH:3009][cH:3010][cH:3011]5)[C@:4]6([CH3:23])[CH3:24]', '[H][C@@]46CC[C@@]3(C)[C@]2(C)CC[C@@]1(C)CC[C@@H](C)[C@H](C)[C@@]1([H])C2=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)C=CC=Cc5ccccc5)[C@]6(C)C', '[H][C@@:55]46[CH2:18][CH2:33][C@@:40]3([CH3:17])[C@:42]2([CH3:23])[CH2:27][CH2:27][C@@:34]1([CH3:29])[CH2:42][CH2:31][C@@H:40]([CH3:22])[C@H:40]([CH3:23])[C@@:59]1([H])[C:139]2=[CH:124][CH2:23][C@:48]3([H])[C@@:37]4([CH3:16])[CH2:39][CH2:24][C@H:81](O[C:167](=O)[CH:122]=[CH:144][CH:127]=[CH:141][c:136]5[cH:129][cH:127][cH:129][cH:127][cH:129]5)[C@:38]6([CH3:29])[CH3:18]', '46 51 H 16.10 -15.37 H 17.39 -13.14 H 21.07 -11.08 C:30 22.34 -6.44 C:29 19.85 -7.89 C:23 15.59 -16.26 C:24 14.09 -16.21 C:28 22.33 -9.27 C:27 19.84 -13.54 C:26 18.61 -11.41 C:25 16.10 -11.41 O 10.03 -15.05 C:3003 9.97 -12.26 C:3004 9.97 -10.86 C:3002 11.23 -12.93 C:3005 8.76 -10.17 C:12 18.60 -10.00 C:3009 8.75 -6.01 C:3008 7.52 -6.72 C:3010 9.94 -6.69 C:3007 7.52 -8.11 C:3011 9.94 -8.08 C:11 17.36 -10.70 C:21 23.57 -8.57 C:2 13.64 -12.86 C:22 23.57 -10.00 C:16 22.33 -12.13 C:15 21.07 -12.86 C:6 17.36 -15.01 C:1 14.86 -12.13 C:7 18.60 -14.31 O 12.44 -15.01 C:3001 11.23 -14.34 C:13 19.84 -10.70 C:3006 8.76 -8.78 C:20 22.33 -7.83 C:19 21.07 -8.57 C:3 13.64 -14.31 C:4 14.86 -15.01 C:17 22.33 -10.70 C:14 19.84 -12.13 C:5 16.10 -14.31 C:9 17.36 -12.13 C:18 21.07 -10.00 C:8 18.60 -12.86 C:10 16.10 -12.86 42 1 -2 43 2 -2 44 3 -1 36 4 -2 37 5 -1 39 6 -2 39 7 -1 40 8 -1 41 9 -2 45 10 -1 46 11 -1 12 33 2 13 14 1 13 15 2 14 16 2 15 33 1 16 35 1 17 23 1 17 34 2 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 43 1 24 26 1 24 36 1 25 30 1 25 38 1 26 40 1 27 28 1 27 40 1 28 41 1 29 31 1 29 42 1 30 46 1 31 45 1 32 33 1 38 32 -1 34 41 1 34 44 1 36 37 1 37 44 1 38 39 1 39 42 1 40 44 1 41 45 1 42 46 1 43 45 1 43 46 1', '46 51 H 16.10 -15.37 H 17.39 -13.14 H 21.07 -11.08 C 22.34 -6.44 C 19.85 -7.89 C 15.59 -16.26 C 14.09 -16.21 C 22.33 -9.27 C 19.84 -13.54 C 18.61 -11.41 C 16.10 -11.41 O 10.03 -15.05 C 9.97 -12.26 C 9.97 -10.86 C 11.23 -12.93 C 8.76 -10.17 C 18.60 -10.00 C 8.75 -6.01 C 7.52 -6.72 C 9.94 -6.69 C 7.52 -8.11 C 9.94 -8.08 C 17.36 -10.70 C 23.57 -8.57 C 13.64 -12.86 C 23.57 -10.00 C 22.33 -12.13 C 21.07 -12.86 C 17.36 -15.01 C 14.86 -12.13 C 18.60 -14.31 O 12.44 -15.01 C 11.23 -14.34 C 19.84 -10.70 C 8.76 -8.78 C 22.33 -7.83 C 21.07 -8.57 C 13.64 -14.31 C 14.86 -15.01 C 22.33 -10.70 C 19.84 -12.13 C 16.10 -14.31 C 17.36 -12.13 C 21.07 -10.00 C 18.60 -12.86 C 16.10 -12.86 42 1 -2 43 2 -2 44 3 -1 36 4 -2 37 5 -1 39 6 -2 39 7 -1 40 8 -1 41 9 -2 45 10 -1 46 11 -1 12 33 2 13 14 1 13 15 2 14 16 2 15 33 1 16 35 1 17 23 1 17 34 2 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 43 1 24 26 1 24 36 1 25 30 1 25 38 1 26 40 1 27 28 1 27 40 1 28 41 1 29 31 1 29 42 1 30 46 1 31 45 1 32 33 1 38 32 -1 34 41 1 34 44 1 36 37 1 37 44 1 38 39 1 39 42 1 40 44 1 41 45 1 42 46 1 43 45 1 43 46 1', '46 51 H 16.10 -15.37 H 17.39 -13.14 H 21.07 -11.08 C:22 22.34 -6.44 C:23 19.85 -7.89 C:29 15.59 -16.26 C:18 14.09 -16.21 C:29 22.33 -9.27 C:23 19.84 -13.54 C:17 18.61 -11.41 C:16 16.10 -11.41 O 10.03 -15.05 C:144 9.97 -12.26 C:127 9.97 -10.86 C:122 11.23 -12.93 C:141 8.76 -10.17 C:124 18.60 -10.00 C:129 8.75 -6.01 C:127 7.52 -6.72 C:127 9.94 -6.69 C:129 7.52 -8.11 C:129 9.94 -8.08 C:23 17.36 -10.70 C:31 23.57 -8.57 C:24 13.64 -12.86 C:42 23.57 -10.00 C:27 22.33 -12.13 C:27 21.07 -12.86 C:18 17.36 -15.01 C:39 14.86 -12.13 C:33 18.60 -14.31 O 12.44 -15.01 C:167 11.23 -14.34 C:139 19.84 -10.70 C:136 8.76 -8.78 C:40 22.33 -7.83 C:40 21.07 -8.57 C:81 13.64 -14.31 C:38 14.86 -15.01 C:34 22.33 -10.70 C:42 19.84 -12.13 C:55 16.10 -14.31 C:48 17.36 -12.13 C:59 21.07 -10.00 C:40 18.60 -12.86 C:37 16.10 -12.86 42 1 -2 43 2 -2 44 3 -1 36 4 -2 37 5 -1 39 6 -2 39 7 -1 40 8 -1 41 9 -2 45 10 -1 46 11 -1 12 33 2 13 14 1 13 15 2 14 16 2 15 33 1 16 35 1 17 23 1 17 34 2 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 43 1 24 26 1 24 36 1 25 30 1 25 38 1 26 40 1 27 28 1 27 40 1 28 41 1 29 31 1 29 42 1 30 46 1 31 45 1 32 33 1 38 32 -1 34 41 1 34 44 1 36 37 1 37 44 1 38 39 1 39 42 1 40 44 1 41 45 1 42 46 1 43 45 1 43 46 1', 'C41H58O2', 582.461, 'C', 'pha04_339_2', 930, '', '', '1', 1, NULL, NULL),
(5095, 'Peltastine B', 'Lupeol 5-phenylpenta-2,4-dienoate', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]46[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][CH:3](O[C:3002](=O)[CH:3003]=[CH:3004][CH:3005]=[CH:3006][c:3007]5[cH:3012][cH:3011][cH:3010][cH:3009][cH:3008]5)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]46CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(C)CC[C@]23C)[C@@]4(C)CCC(OC(=O)C=CC=Cc5ccccc5)[C@@]6(C)C', '[H][C@@:55]46[CH2:18][CH2:34][C@:40]3([CH3:17])[C@:50]([H])([CH2:21][CH2:25][C@:38]2([H])[C@@:48]1([H])[C@H:48]([C:151](=[CH2:109])[CH3:19])[CH2:30][CH2:41][C@:43]1([CH3:18])[CH2:36][CH2:27][C@:43]23[CH3:15])[C@@:37]4([CH3:16])[CH2:38][CH2:24][CH:81](O[C:167](=O)[CH:122]=[CH:144][CH:127]=[CH:141][c:136]5[cH:129][cH:127][cH:129][cH:127][cH:129]5)[C@@:38]6([CH3:16])[CH3:28]', '47 52 H 18.58 -14.65 H 22.33 -9.05 H 19.84 -12.47 H 23.59 -10.41 C:29 23.38 -5.55 C:30 21.55 -7.22 C:24 16.37 -15.68 C:23 18.16 -15.63 C:28 24.86 -8.64 C:25 18.58 -10.82 C:27 22.33 -12.98 C:26 21.08 -10.82 O 13.65 -12.36 C:3004 11.23 -13.80 C:3005 10.03 -14.52 C:3003 12.45 -14.48 C:3006 8.81 -13.84 C:3010 5.20 -16.02 C:3011 6.43 -16.69 C:3009 5.20 -14.61 C:3012 7.63 -15.97 C:3008 6.38 -13.89 C:2 16.08 -12.25 C:21 25.32 -7.81 C:22 25.90 -9.11 C:1 17.33 -11.53 C:6 19.84 -14.44 C:12 21.08 -9.35 C:11 19.84 -10.09 C:16 24.86 -11.53 C:7 21.08 -13.72 C:15 23.59 -12.25 O 14.88 -14.44 C:20 22.94 -6.92 C:3002 13.65 -13.76 C:3007 7.60 -14.56 C:3 16.08 -13.72 C:19 23.89 -7.97 C:4 17.33 -14.44 C:5 18.58 -13.72 C:13 22.33 -10.09 C:9 19.84 -11.53 C:17 24.86 -10.09 C:18 23.59 -9.35 C:10 18.58 -12.25 C:14 22.33 -11.53 C:8 21.08 -12.25 40 1 -2 41 2 -1 42 3 -2 44 4 -2 5 34 2 6 34 1 39 7 -1 39 8 -2 43 9 -1 45 10 -1 46 11 -2 47 12 -1 13 35 2 14 15 1 14 16 2 15 17 2 16 35 1 17 36 1 18 19 2 18 20 1 19 21 1 20 22 2 21 36 2 22 36 1 23 26 1 23 37 1 24 25 1 24 38 1 25 43 1 26 45 1 27 31 1 27 40 1 28 29 1 28 41 1 29 42 1 30 32 1 30 43 1 31 47 1 32 46 1 33 35 1 33 37 1 38 34 -2 37 39 1 38 44 1 39 40 1 40 45 1 41 44 1 41 46 1 42 45 1 42 47 1 43 44 1 46 47 1', '47 52 H 18.58 -14.65 H 22.33 -9.05 H 19.84 -12.47 H 23.59 -10.41 C 23.38 -5.55 C 21.55 -7.22 C 16.37 -15.68 C 18.16 -15.63 C 24.86 -8.64 C 18.58 -10.82 C 22.33 -12.98 C 21.08 -10.82 O 13.65 -12.36 C 11.23 -13.80 C 10.03 -14.52 C 12.45 -14.48 C 8.81 -13.84 C 5.20 -16.02 C 6.43 -16.69 C 5.20 -14.61 C 7.63 -15.97 C 6.38 -13.89 C 16.08 -12.25 C 25.32 -7.81 C 25.90 -9.11 C 17.33 -11.53 C 19.84 -14.44 C 21.08 -9.35 C 19.84 -10.09 C 24.86 -11.53 C 21.08 -13.72 C 23.59 -12.25 O 14.88 -14.44 C 22.94 -6.92 C 13.65 -13.76 C 7.60 -14.56 C 16.08 -13.72 C 23.89 -7.97 C 17.33 -14.44 C 18.58 -13.72 C 22.33 -10.09 C 19.84 -11.53 C 24.86 -10.09 C 23.59 -9.35 C 18.58 -12.25 C 22.33 -11.53 C 21.08 -12.25 40 1 -2 41 2 -1 42 3 -2 44 4 -2 5 34 2 6 34 1 39 7 -1 39 8 -2 43 9 -1 45 10 -1 46 11 -2 47 12 -1 13 35 2 14 15 1 14 16 2 15 17 2 16 35 1 17 36 1 18 19 2 18 20 1 19 21 1 20 22 2 21 36 2 22 36 1 23 26 1 23 37 1 24 25 1 24 38 1 25 43 1 26 45 1 27 31 1 27 40 1 28 29 1 28 41 1 29 42 1 30 32 1 30 43 1 31 47 1 32 46 1 33 35 1 33 37 1 38 34 -2 37 39 1 38 44 1 39 40 1 40 45 1 41 44 1 41 46 1 42 45 1 42 47 1 43 44 1 46 47 1', '47 52 H 18.58 -14.65 H 22.33 -9.05 H 19.84 -12.47 H 23.59 -10.41 C:109 23.38 -5.55 C:19 21.55 -7.22 C:16 16.37 -15.68 C:28 18.16 -15.63 C:18 24.86 -8.64 C:16 18.58 -10.82 C:15 22.33 -12.98 C:17 21.08 -10.82 O 13.65 -12.36 C:144 11.23 -13.80 C:127 10.03 -14.52 C:122 12.45 -14.48 C:141 8.81 -13.84 C:129 5.20 -16.02 C:127 6.43 -16.69 C:127 5.20 -14.61 C:129 7.63 -15.97 C:129 6.38 -13.89 C:24 16.08 -12.25 C:30 25.32 -7.81 C:41 25.90 -9.11 C:38 17.33 -11.53 C:18 19.84 -14.44 C:25 21.08 -9.35 C:21 19.84 -10.09 C:36 24.86 -11.53 C:34 21.08 -13.72 C:27 23.59 -12.25 O 14.88 -14.44 C:151 22.94 -6.92 C:167 13.65 -13.76 C:136 7.60 -14.56 C:81 16.08 -13.72 C:48 23.89 -7.97 C:38 17.33 -14.44 C:55 18.58 -13.72 C:38 22.33 -10.09 C:50 19.84 -11.53 C:43 24.86 -10.09 C:48 23.59 -9.35 C:37 18.58 -12.25 C:43 22.33 -11.53 C:40 21.08 -12.25 40 1 -2 41 2 -1 42 3 -2 44 4 -2 5 34 2 6 34 1 39 7 -1 39 8 -2 43 9 -1 45 10 -1 46 11 -2 47 12 -1 13 35 2 14 15 1 14 16 2 15 17 2 16 35 1 17 36 1 18 19 2 18 20 1 19 21 1 20 22 2 21 36 2 22 36 1 23 26 1 23 37 1 24 25 1 24 38 1 25 43 1 26 45 1 27 31 1 27 40 1 28 29 1 28 41 1 29 42 1 30 32 1 30 43 1 31 47 1 32 46 1 33 35 1 33 37 1 38 34 -2 37 39 1 38 44 1 39 40 1 40 45 1 41 44 1 41 46 1 42 45 1 42 47 1 43 44 1 46 47 1', 'C41H58O2', 582.469, 'C', 'pha04_339_3', 930, '', '', '1', 1, NULL, NULL),
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(5106, 'Hypodiol', '', 'Terpenoids', 'Triterpenoids', 'Oleananes', '[H][C@:9]35[C@H:11](O)[CH2:12][C:13]2=[C:18]1[CH2:19][C@@:20]([CH3:29])([CH3:30])[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@@:14]2([CH3:27])[C@:8]3([CH3:26])[CH2:7][CH2:6][CH:5]4[C@@:4]([CH3:23])([CH3:24])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]45[CH3:25]', '[H][C@]35[C@H](O)CC2=C1C[C@@](C)(C)CC[C@]1(C)CC[C@@]2(C)[C@]3(C)CCC4[C@@](C)(C)[C@@H](O)CC[C@@]45C', '[H][C@:56]35[C@H:70](O)[CH2:38][C:132]2=[C:134]1[CH2:39][C@@:33]([CH3:32])([CH3:24])[CH2:35][CH2:37][C@:35]1([CH3:24])[CH2:39][CH2:26][C@@:44]2([CH3:21])[C@:42]3([CH3:19])[CH2:36][CH2:18][CH:56]4[C@@:39]([CH3:28])([CH3:16])[C@@H:79](O)[CH2:28][CH2:41][C@@:39]45[CH3:17]', '33 37 H 14.37 -12.84 C:29 20.11 -6.39 C:30 18.48 -6.38 C:23 12.55 -15.95 C:24 11.06 -15.90 C:28 19.28 -8.97 C:27 16.84 -13.28 C:25 13.06 -11.12 C:26 15.59 -11.12 O 9.44 -14.74 O 13.13 -9.71 C:2 10.63 -12.55 C:6 14.34 -14.70 C:1 11.83 -11.82 C:21 20.52 -8.28 C:7 15.58 -14.00 C:22 20.52 -9.72 C:16 19.28 -11.82 C:15 18.05 -12.55 C:12 15.58 -9.72 C:19 18.05 -8.28 C:13 16.82 -10.41 C:18 18.05 -9.72 C:3 10.63 -14.00 C:11 14.34 -10.41 C:5 13.06 -14.00 C:20 19.28 -7.55 C:4 11.83 -14.70 C:17 19.28 -10.41 C:14 16.82 -11.82 C:10 13.06 -12.55 C:8 15.58 -12.55 C:9 14.34 -11.82 33 1 -2 27 2 -2 27 3 -1 28 4 -2 28 5 -1 29 6 -1 30 7 -2 31 8 -1 32 9 -1 24 10 -1 25 11 -2 12 14 1 12 24 1 13 16 1 13 26 1 14 31 1 15 17 1 15 27 1 16 32 1 17 29 1 18 19 1 18 29 1 19 30 1 20 22 1 20 25 1 21 23 1 21 27 1 22 23 2 22 30 1 23 29 1 24 28 1 25 33 1 26 28 1 26 31 1 30 32 1 31 33 1 32 33 1', '33 37 H 14.37 -12.84 C 20.11 -6.39 C 18.48 -6.38 C 12.55 -15.95 C 11.06 -15.90 C 19.28 -8.97 C 16.84 -13.28 C 13.06 -11.12 C 15.59 -11.12 O 9.44 -14.74 O 13.13 -9.71 C 10.63 -12.55 C 14.34 -14.70 C 11.83 -11.82 C 20.52 -8.28 C 15.58 -14.00 C 20.52 -9.72 C 19.28 -11.82 C 18.05 -12.55 C 15.58 -9.72 C 18.05 -8.28 C 16.82 -10.41 C 18.05 -9.72 C 10.63 -14.00 C 14.34 -10.41 C 13.06 -14.00 C 19.28 -7.55 C 11.83 -14.70 C 19.28 -10.41 C 16.82 -11.82 C 13.06 -12.55 C 15.58 -12.55 C 14.34 -11.82 33 1 -2 27 2 -2 27 3 -1 28 4 -2 28 5 -1 29 6 -1 30 7 -2 31 8 -1 32 9 -1 24 10 -1 25 11 -2 12 14 1 12 24 1 13 16 1 13 26 1 14 31 1 15 17 1 15 27 1 16 32 1 17 29 1 18 19 1 18 29 1 19 30 1 20 22 1 20 25 1 21 23 1 21 27 1 22 23 2 22 30 1 23 29 1 24 28 1 25 33 1 26 28 1 26 31 1 30 32 1 31 33 1 32 33 1', '33 37 H 14.37 -12.84 C:32 20.11 -6.39 C:24 18.48 -6.38 C:28 12.55 -15.95 C:16 11.06 -15.90 C:24 19.28 -8.97 C:21 16.84 -13.28 C:17 13.06 -11.12 C:19 15.59 -11.12 O 9.44 -14.74 O 13.13 -9.71 C:28 10.63 -12.55 C:18 14.34 -14.70 C:41 11.83 -11.82 C:35 20.52 -8.28 C:36 15.58 -14.00 C:37 20.52 -9.72 C:39 19.28 -11.82 C:26 18.05 -12.55 C:38 15.58 -9.72 C:39 18.05 -8.28 C:132 16.82 -10.41 C:134 18.05 -9.72 C:79 10.63 -14.00 C:70 14.34 -10.41 C:56 13.06 -14.00 C:33 19.28 -7.55 C:39 11.83 -14.70 C:35 19.28 -10.41 C:44 16.82 -11.82 C:39 13.06 -12.55 C:42 15.58 -12.55 C:56 14.34 -11.82 33 1 -2 27 2 -2 27 3 -1 28 4 -2 28 5 -1 29 6 -1 30 7 -2 31 8 -1 32 9 -1 24 10 -1 25 11 -2 12 14 1 12 24 1 13 16 1 13 26 1 14 31 1 15 17 1 15 27 1 16 32 1 17 29 1 18 19 1 18 29 1 19 30 1 20 22 1 20 25 1 21 23 1 21 27 1 22 23 2 22 30 1 23 29 1 24 28 1 25 33 1 26 28 1 26 31 1 30 32 1 31 33 1 32 33 1', 'C30H50O2', 442.328, 'C', 'ph46_535_5', 546, '', '', '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
(5107, 'Triptohypol A', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[CH3:3001]O[c:3]5[c:2](O)[cH:1][c:10]1[c:5]([C:6](=O)[CH:7]=[C:8]3[C@@:9]1([CH3:25])[CH2:11][CH2:12][C@@:13]4([CH3:27])[CH:18]2[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]2([CH3:28])[CH2:16][CH2:15][C@:14]34[CH3:26])[c:4]5[CH2:23]O', 'COc5c(O)cc1c(C(=O)C=C3[C@@]1(C)CC[C@@]4(C)C2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@]34C)c5CO', '[CH3:57]O[c:145]5[c:154](O)[cH:112][c:156]1[c:123]([C:188](=O)[CH:125]=[C:175]3[C@@:41]1([CH3:38])[CH2:34][CH2:30][C@@:39]4([CH3:19])[CH:44]2[CH2:31][C@:40]([CH3:33])([C:183](=O)O)[CH2:30][CH2:35][C@:31]2([CH3:32])[CH2:37][CH2:29][C@:45]34[CH3:21])[c:135]5[CH2:63]O', '36 40 C:3001 9.05 -14.11 C:30 19.06 -6.68 C:28 19.92 -9.20 C:25 15.07 -13.41 C:26 17.55 -13.41 C:27 17.50 -9.20 O 22.10 -6.73 O 15.07 -16.21 O 11.44 -16.91 O 20.13 -5.36 O 10.26 -12.02 C:7 16.29 -14.11 C:1 12.66 -12.01 C:23 12.66 -16.21 C:21 21.14 -8.50 C:22 21.14 -9.91 C:16 19.92 -12.01 C:11 15.07 -10.61 C:15 18.71 -12.71 C:12 16.29 -9.91 C:19 18.71 -8.50 O 10.26 -14.81 C:29 20.72 -6.63 C:6 15.07 -14.82 C:8 16.29 -12.71 C:2 11.45 -12.71 C:4 12.66 -14.82 C:10 13.86 -12.71 C:3 11.45 -14.11 C:5 13.86 -14.11 C:18 18.71 -9.91 C:20 19.92 -7.80 C:17 19.92 -10.61 C:9 15.07 -12.01 C:14 17.50 -12.01 C:13 17.50 -10.61 1 22 1 32 2 -1 33 3 -1 34 4 -1 35 5 -1 36 6 -2 7 23 2 8 24 2 9 14 1 10 23 1 11 26 1 12 24 1 12 25 2 13 26 2 13 28 1 14 27 1 15 16 1 15 32 1 16 33 1 17 19 1 17 33 1 18 20 1 18 34 1 19 35 1 20 36 1 21 31 1 21 32 1 22 29 1 32 23 -2 24 30 1 25 34 1 25 35 1 26 29 1 27 29 2 27 30 1 28 30 2 28 34 1 31 33 1 31 36 1 35 36 1', '36 40 C 9.05 -14.11 C 19.06 -6.68 C 19.92 -9.20 C 15.07 -13.41 C 17.55 -13.41 C 17.50 -9.20 O 22.10 -6.73 O 15.07 -16.21 O 11.44 -16.91 O 20.13 -5.36 O 10.26 -12.02 C 16.29 -14.11 C 12.66 -12.01 C 12.66 -16.21 C 21.14 -8.50 C 21.14 -9.91 C 19.92 -12.01 C 15.07 -10.61 C 18.71 -12.71 C 16.29 -9.91 C 18.71 -8.50 O 10.26 -14.81 C 20.72 -6.63 C 15.07 -14.82 C 16.29 -12.71 C 11.45 -12.71 C 12.66 -14.82 C 13.86 -12.71 C 11.45 -14.11 C 13.86 -14.11 C 18.71 -9.91 C 19.92 -7.80 C 19.92 -10.61 C 15.07 -12.01 C 17.50 -12.01 C 17.50 -10.61 1 22 1 32 2 -1 33 3 -1 34 4 -1 35 5 -1 36 6 -2 7 23 2 8 24 2 9 14 1 10 23 1 11 26 1 12 24 1 12 25 2 13 26 2 13 28 1 14 27 1 15 16 1 15 32 1 16 33 1 17 19 1 17 33 1 18 20 1 18 34 1 19 35 1 20 36 1 21 31 1 21 32 1 22 29 1 32 23 -2 24 30 1 25 34 1 25 35 1 26 29 1 27 29 2 27 30 1 28 30 2 28 34 1 31 33 1 31 36 1 35 36 1', '36 40 C:57 9.05 -14.11 C:33 19.06 -6.68 C:32 19.92 -9.20 C:38 15.07 -13.41 C:21 17.55 -13.41 C:19 17.50 -9.20 O 22.10 -6.73 O 15.07 -16.21 O 11.44 -16.91 O 20.13 -5.36 O 10.26 -12.02 C:125 16.29 -14.11 C:112 12.66 -12.01 C:63 12.66 -16.21 C:30 21.14 -8.50 C:35 21.14 -9.91 C:37 19.92 -12.01 C:34 15.07 -10.61 C:29 18.71 -12.71 C:30 16.29 -9.91 C:31 18.71 -8.50 O 10.26 -14.81 C:183 20.72 -6.63 C:188 15.07 -14.82 C:175 16.29 -12.71 C:154 11.45 -12.71 C:135 12.66 -14.82 C:156 13.86 -12.71 C:145 11.45 -14.11 C:123 13.86 -14.11 C:44 18.71 -9.91 C:40 19.92 -7.80 C:31 19.92 -10.61 C:41 15.07 -12.01 C:45 17.50 -12.01 C:39 17.50 -10.61 1 22 1 32 2 -1 33 3 -1 34 4 -1 35 5 -1 36 6 -2 7 23 2 8 24 2 9 14 1 10 23 1 11 26 1 12 24 1 12 25 2 13 26 2 13 28 1 14 27 1 15 16 1 15 32 1 16 33 1 17 19 1 17 33 1 18 20 1 18 34 1 19 35 1 20 36 1 21 31 1 21 32 1 22 29 1 32 23 -2 24 30 1 25 34 1 25 35 1 26 29 1 27 29 2 27 30 1 28 30 2 28 34 1 31 33 1 31 36 1 35 36 1', 'C30H40O6', 496.317, 'C', 'ph46_535_2', 546, '', '', '1', 1, NULL, NULL),
(5108, 'Celastolide', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[H][C@@:24]46O[CH2:2][CH2:1][C@:10]5([H])[C@:9]3([CH3:25])[CH2:11][CH2:12][C@@:13]2([CH3:27])[C@:18]1([H])[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]2([CH3:26])[C@@:8]3([H])[CH2:7][CH2:6][C@@:5]45[C@@H:4]([CH3:23])[C:3](=O)O6', '[H][C@@]46OCC[C@]5([H])[C@]3(C)CC[C@@]2(C)[C@]1([H])C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]2(C)[C@@]3([H])CC[C@@]45[C@@H](C)C(=O)O6', '[H][C@@:103]46O[CH2:57][CH2:18][C@:46]5([H])[C@:38]3([CH3:19])[CH2:35][CH2:30][C@@:39]2([CH3:17])[C@:44]1([H])[CH2:30][C@:40]([CH3:31])([C:185](=O)O)[CH2:29][CH2:37][C@:30]1([CH3:32])[CH2:36][CH2:30][C@:39]2([CH3:18])[C@@:49]3([H])[CH2:18][CH2:32][C@@:42]45[C@@H:41]([CH3:10])[C:179](=O)O6', '39 44 H 11.40 -13.31 H 17.54 -10.48 H 15.10 -11.19 H 12.62 -11.08 C:23 14.99 -15.26 C:30 17.91 -6.06 C:28 18.78 -8.62 C:25 13.85 -12.91 C:27 16.33 -8.62 C:26 16.38 -12.91 O 19.00 -4.71 O 13.19 -17.54 O 21.01 -6.11 C:2 10.18 -12.19 C:21 20.02 -7.92 C:1 11.40 -11.48 C:22 20.02 -9.34 C:16 18.78 -11.48 C:7 15.10 -13.61 C:15 17.54 -12.19 C:11 13.85 -10.06 C:12 15.10 -9.34 C:6 13.85 -14.34 C:19 17.54 -7.92 O 10.18 -13.61 O 11.40 -15.76 C:29 19.60 -6.01 C:3 12.74 -16.18 C:4 13.57 -15.04 C:20 18.78 -7.19 C:24 11.40 -14.34 C:17 18.78 -10.06 C:18 17.54 -9.34 C:8 15.10 -12.19 C:10 12.62 -12.19 C:9 13.85 -11.48 C:13 16.33 -10.06 C:14 16.33 -11.48 C:5 12.62 -13.61 31 1 -1 33 2 -1 34 3 -2 35 4 -1 29 5 -1 30 6 -1 32 7 -1 36 8 -1 37 9 -2 38 10 -1 11 27 2 12 28 2 13 27 1 14 16 1 14 25 1 15 17 1 15 30 1 16 35 1 17 32 1 18 20 1 18 32 1 19 23 1 19 34 1 20 38 1 21 22 1 21 36 1 22 37 1 23 39 1 24 30 1 24 33 1 25 31 1 26 28 1 26 31 1 30 27 -2 28 29 1 39 29 -2 31 39 1 32 33 1 33 37 1 34 36 1 34 38 1 35 36 1 35 39 1 37 38 1', '39 44 H 11.40 -13.31 H 17.54 -10.48 H 15.10 -11.19 H 12.62 -11.08 C 14.99 -15.26 C 17.91 -6.06 C 18.78 -8.62 C 13.85 -12.91 C 16.33 -8.62 C 16.38 -12.91 O 19.00 -4.71 O 13.19 -17.54 O 21.01 -6.11 C 10.18 -12.19 C 20.02 -7.92 C 11.40 -11.48 C 20.02 -9.34 C 18.78 -11.48 C 15.10 -13.61 C 17.54 -12.19 C 13.85 -10.06 C 15.10 -9.34 C 13.85 -14.34 C 17.54 -7.92 O 10.18 -13.61 O 11.40 -15.76 C 19.60 -6.01 C 12.74 -16.18 C 13.57 -15.04 C 18.78 -7.19 C 11.40 -14.34 C 18.78 -10.06 C 17.54 -9.34 C 15.10 -12.19 C 12.62 -12.19 C 13.85 -11.48 C 16.33 -10.06 C 16.33 -11.48 C 12.62 -13.61 31 1 -1 33 2 -1 34 3 -2 35 4 -1 29 5 -1 30 6 -1 32 7 -1 36 8 -1 37 9 -2 38 10 -1 11 27 2 12 28 2 13 27 1 14 16 1 14 25 1 15 17 1 15 30 1 16 35 1 17 32 1 18 20 1 18 32 1 19 23 1 19 34 1 20 38 1 21 22 1 21 36 1 22 37 1 23 39 1 24 30 1 24 33 1 25 31 1 26 28 1 26 31 1 30 27 -2 28 29 1 39 29 -2 31 39 1 32 33 1 33 37 1 34 36 1 34 38 1 35 36 1 35 39 1 37 38 1', '39 44 H 11.40 -13.31 H 17.54 -10.48 H 15.10 -11.19 H 12.62 -11.08 C:10 14.99 -15.26 C:31 17.91 -6.06 C:32 18.78 -8.62 C:19 13.85 -12.91 C:17 16.33 -8.62 C:18 16.38 -12.91 O 19.00 -4.71 O 13.19 -17.54 O 21.01 -6.11 C:57 10.18 -12.19 C:29 20.02 -7.92 C:18 11.40 -11.48 C:37 20.02 -9.34 C:36 18.78 -11.48 C:18 15.10 -13.61 C:30 17.54 -12.19 C:35 13.85 -10.06 C:30 15.10 -9.34 C:32 13.85 -14.34 C:30 17.54 -7.92 O 10.18 -13.61 O 11.40 -15.76 C:185 19.60 -6.01 C:179 12.74 -16.18 C:41 13.57 -15.04 C:40 18.78 -7.19 C:103 11.40 -14.34 C:30 18.78 -10.06 C:44 17.54 -9.34 C:49 15.10 -12.19 C:46 12.62 -12.19 C:38 13.85 -11.48 C:39 16.33 -10.06 C:39 16.33 -11.48 C:42 12.62 -13.61 31 1 -1 33 2 -1 34 3 -2 35 4 -1 29 5 -1 30 6 -1 32 7 -1 36 8 -1 37 9 -2 38 10 -1 11 27 2 12 28 2 13 27 1 14 16 1 14 25 1 15 17 1 15 30 1 16 35 1 17 32 1 18 20 1 18 32 1 19 23 1 19 34 1 20 38 1 21 22 1 21 36 1 22 37 1 23 39 1 24 30 1 24 33 1 25 31 1 26 28 1 26 31 1 30 27 -2 28 29 1 39 29 -2 31 39 1 32 33 1 33 37 1 34 36 1 34 38 1 35 36 1 35 39 1 37 38 1', 'C30H46O5', 486.35, 'C', 'ph46_535_1', 546, '', '', '1', 1, NULL, NULL),
(5109, 'Triptohypol B', '', 'Terpenoids', 'Triterpenoids', 'Celastranes', '[CH3:3001]O[c:3]5[c:4]([CH3:23])[c:5]4[C:6](=O)[CH:7]=[C:8]2[C@@:9]([CH3:25])([CH2:11][CH2:12][C@@:13]3([CH3:27])[CH:18]1[CH2:19][C@:20]([CH3:30])([C:29](=O)O)[CH2:21][CH2:22][C@:17]1([CH3:28])[CH2:16][CH2:15][C@:14]23[CH3:26])[c:10]4[cH:1][c:2]5O', 'COc5c(C)c4C(=O)C=C2[C@@](C)(CC[C@@]3(C)C1C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]23C)c4cc5O', '[CH3:60]O[c:146]5[c:134]([CH3:15])[c:122]4[C:187](=O)[CH:127]=[C:171]2[C@@:40]([CH3:38])([CH2:35][CH2:30][C@@:39]3([CH3:19])[CH:45]1[CH2:31][C@:41]([CH3:33])([C:181](=O)O)[CH2:31][CH2:36][C@:31]1([CH3:32])[CH2:37][CH2:29][C@:45]23[CH3:21])[c:155]4[cH:112][c:155]5O', '35 39 C:3001 9.05 -14.11 C:23 12.66 -16.21 C:30 19.06 -6.68 C:28 19.92 -9.20 C:25 15.07 -13.41 C:26 17.55 -13.41 C:27 17.50 -9.20 O 22.10 -6.73 O 15.07 -16.21 O 20.13 -5.36 O 10.26 -12.02 C:7 16.29 -14.11 C:1 12.66 -12.01 C:21 21.14 -8.50 C:22 21.14 -9.91 C:16 19.92 -12.01 C:11 15.07 -10.61 C:15 18.71 -12.71 C:12 16.29 -9.91 C:19 18.71 -8.50 O 10.26 -14.81 C:29 20.72 -6.63 C:6 15.07 -14.82 C:8 16.29 -12.71 C:4 12.66 -14.82 C:2 11.45 -12.71 C:10 13.86 -12.71 C:3 11.45 -14.11 C:5 13.86 -14.11 C:18 18.71 -9.91 C:20 19.92 -7.80 C:17 19.92 -10.61 C:9 15.07 -12.01 C:14 17.50 -12.01 C:13 17.50 -10.61 1 21 1 2 25 1 31 3 -1 32 4 -1 33 5 -1 34 6 -1 35 7 -2 8 22 2 9 23 2 10 22 1 11 26 1 12 23 1 12 24 2 13 26 2 13 27 1 14 15 1 14 31 1 15 32 1 16 18 1 16 32 1 17 19 1 17 33 1 18 34 1 19 35 1 20 30 1 20 31 1 21 28 1 31 22 -2 23 29 1 24 33 1 24 34 1 25 28 2 25 29 1 26 28 1 27 29 2 27 33 1 30 32 1 30 35 1 34 35 1', '35 39 C 9.05 -14.11 C 12.66 -16.21 C 19.06 -6.68 C 19.92 -9.20 C 15.07 -13.41 C 17.55 -13.41 C 17.50 -9.20 O 22.10 -6.73 O 15.07 -16.21 O 20.13 -5.36 O 10.26 -12.02 C 16.29 -14.11 C 12.66 -12.01 C 21.14 -8.50 C 21.14 -9.91 C 19.92 -12.01 C 15.07 -10.61 C 18.71 -12.71 C 16.29 -9.91 C 18.71 -8.50 O 10.26 -14.81 C 20.72 -6.63 C 15.07 -14.82 C 16.29 -12.71 C 12.66 -14.82 C 11.45 -12.71 C 13.86 -12.71 C 11.45 -14.11 C 13.86 -14.11 C 18.71 -9.91 C 19.92 -7.80 C 19.92 -10.61 C 15.07 -12.01 C 17.50 -12.01 C 17.50 -10.61 1 21 1 2 25 1 31 3 -1 32 4 -1 33 5 -1 34 6 -1 35 7 -2 8 22 2 9 23 2 10 22 1 11 26 1 12 23 1 12 24 2 13 26 2 13 27 1 14 15 1 14 31 1 15 32 1 16 18 1 16 32 1 17 19 1 17 33 1 18 34 1 19 35 1 20 30 1 20 31 1 21 28 1 31 22 -2 23 29 1 24 33 1 24 34 1 25 28 2 25 29 1 26 28 1 27 29 2 27 33 1 30 32 1 30 35 1 34 35 1', '35 39 C:60 9.05 -14.11 C:15 12.66 -16.21 C:33 19.06 -6.68 C:32 19.92 -9.20 C:38 15.07 -13.41 C:21 17.55 -13.41 C:19 17.50 -9.20 O 22.10 -6.73 O 15.07 -16.21 O 20.13 -5.36 O 10.26 -12.02 C:127 16.29 -14.11 C:112 12.66 -12.01 C:31 21.14 -8.50 C:36 21.14 -9.91 C:37 19.92 -12.01 C:35 15.07 -10.61 C:29 18.71 -12.71 C:30 16.29 -9.91 C:31 18.71 -8.50 O 10.26 -14.81 C:181 20.72 -6.63 C:187 15.07 -14.82 C:171 16.29 -12.71 C:134 12.66 -14.82 C:155 11.45 -12.71 C:155 13.86 -12.71 C:146 11.45 -14.11 C:122 13.86 -14.11 C:45 18.71 -9.91 C:41 19.92 -7.80 C:31 19.92 -10.61 C:40 15.07 -12.01 C:45 17.50 -12.01 C:39 17.50 -10.61 1 21 1 2 25 1 31 3 -1 32 4 -1 33 5 -1 34 6 -1 35 7 -2 8 22 2 9 23 2 10 22 1 11 26 1 12 23 1 12 24 2 13 26 2 13 27 1 14 15 1 14 31 1 15 32 1 16 18 1 16 32 1 17 19 1 17 33 1 18 34 1 19 35 1 20 30 1 20 31 1 21 28 1 31 22 -2 23 29 1 24 33 1 24 34 1 25 28 2 25 29 1 26 28 1 27 29 2 27 33 1 30 32 1 30 35 1 34 35 1', 'C30H40O5', 480.318, 'P', 'ph46_535_3', 546, '', '', '1', 1, NULL, NULL),
(5110, 'Salaspermic acid', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@:8]24[CH2:7][CH2:6][C@@:5]16[CH2:24]O[C@@:3](O)([CH2:2][CH2:1][C@@:10]1([H])[C@:9]2([CH3:25])[CH2:11][CH2:12][C@@:13]5([CH3:27])[C@:18]3([H])[CH2:19][C@:20]([CH3:30])([CH3:29])[CH2:21][CH2:22][C@:17]3([CH3:28])[CH2:16][CH2:15][C@:14]45[CH3:26])[C@@H:4]6[CH3:23]', '[H][C@]24CC[C@@]16CO[C@@](O)(CC[C@@]1([H])[C@]2(C)CC[C@@]5(C)[C@]3([H])C[C@](C)(C)CC[C@]3(C)CC[C@]45C)[C@@H]6C', '[H][C@:50]24[CH2:20][CH2:34][C@@:47]16[CH2:73]O[C@@:107](O)([CH2:39][CH2:21][C@@:54]1([H])[C@:38]2([CH3:17])[CH2:35][CH2:30][C@@:40]5([CH3:18])[C@:45]3([H])[CH2:31][C@:41]([CH3:32])([CH3:181])[CH2:31][CH2:37][C@:31]3([CH3:32])[CH2:37][CH2:30][C@:39]45[CH3:17])[C@@H:57]6[CH3:9]', '35 40 H 16.17 -11.39 H 13.71 -11.39 H 18.61 -10.72 C:23 12.49 -15.95 C:30 18.95 -6.34 C:29 20.62 -6.29 C:28 19.82 -8.89 C:25 14.94 -13.12 C:26 17.43 -13.12 C:27 17.38 -8.89 O 10.09 -14.53 C:21 21.05 -8.17 C:22 21.05 -9.60 C:16 19.82 -11.71 C:1 12.49 -11.71 C:7 16.17 -13.82 C:2 11.28 -12.41 C:15 18.61 -12.41 C:11 14.94 -10.30 C:12 16.17 -9.60 C:6 14.94 -14.54 C:24 13.51 -15.25 C:19 18.61 -8.17 O 11.49 -15.20 C:4 12.49 -14.54 C:20 19.82 -7.47 C:17 19.82 -10.30 C:8 16.17 -12.41 C:10 13.71 -12.41 C:18 18.61 -9.60 C:3 11.28 -13.82 C:9 14.94 -11.71 C:14 17.38 -11.71 C:13 17.38 -10.30 C:5 13.71 -13.82 28 1 -2 29 2 -2 30 3 -1 25 4 -1 26 5 -1 26 6 -2 27 7 -1 32 8 -1 33 9 -1 34 10 -2 31 11 -2 12 13 1 12 26 1 13 27 1 14 18 1 14 27 1 15 17 1 15 29 1 16 21 1 16 28 1 17 31 1 18 33 1 19 20 1 19 32 1 20 34 1 21 35 1 22 24 1 35 22 -1 23 26 1 23 30 1 24 31 1 25 31 1 25 35 1 27 30 1 28 32 1 28 33 1 29 32 1 29 35 1 30 34 1 33 34 1', '35 40 H 16.17 -11.39 H 13.71 -11.39 H 18.61 -10.72 C 12.49 -15.95 C 18.95 -6.34 C 20.62 -6.29 C 19.82 -8.89 C 14.94 -13.12 C 17.43 -13.12 C 17.38 -8.89 O 10.09 -14.53 C 21.05 -8.17 C 21.05 -9.60 C 19.82 -11.71 C 12.49 -11.71 C 16.17 -13.82 C 11.28 -12.41 C 18.61 -12.41 C 14.94 -10.30 C 16.17 -9.60 C 14.94 -14.54 C 13.51 -15.25 C 18.61 -8.17 O 11.49 -15.20 C 12.49 -14.54 C 19.82 -7.47 C 19.82 -10.30 C 16.17 -12.41 C 13.71 -12.41 C 18.61 -9.60 C 11.28 -13.82 C 14.94 -11.71 C 17.38 -11.71 C 17.38 -10.30 C 13.71 -13.82 28 1 -2 29 2 -2 30 3 -1 25 4 -1 26 5 -1 26 6 -2 27 7 -1 32 8 -1 33 9 -1 34 10 -2 31 11 -2 12 13 1 12 26 1 13 27 1 14 18 1 14 27 1 15 17 1 15 29 1 16 21 1 16 28 1 17 31 1 18 33 1 19 20 1 19 32 1 20 34 1 21 35 1 22 24 1 35 22 -1 23 26 1 23 30 1 24 31 1 25 31 1 25 35 1 27 30 1 28 32 1 28 33 1 29 32 1 29 35 1 30 34 1 33 34 1', '35 40 H 16.17 -11.39 H 13.71 -11.39 H 18.61 -10.72 C:9 12.49 -15.95 C:32 18.95 -6.34 C:181 20.62 -6.29 C:32 19.82 -8.89 C:17 14.94 -13.12 C:17 17.43 -13.12 C:18 17.38 -8.89 O 10.09 -14.53 C:31 21.05 -8.17 C:37 21.05 -9.60 C:37 19.82 -11.71 C:21 12.49 -11.71 C:20 16.17 -13.82 C:39 11.28 -12.41 C:30 18.61 -12.41 C:35 14.94 -10.30 C:30 16.17 -9.60 C:34 14.94 -14.54 C:73 13.51 -15.25 C:31 18.61 -8.17 O 11.49 -15.20 C:57 12.49 -14.54 C:41 19.82 -7.47 C:31 19.82 -10.30 C:50 16.17 -12.41 C:54 13.71 -12.41 C:45 18.61 -9.60 C:107 11.28 -13.82 C:38 14.94 -11.71 C:39 17.38 -11.71 C:40 17.38 -10.30 C:47 13.71 -13.82 28 1 -2 29 2 -2 30 3 -1 25 4 -1 26 5 -1 26 6 -2 27 7 -1 32 8 -1 33 9 -1 34 10 -2 31 11 -2 12 13 1 12 26 1 13 27 1 14 18 1 14 27 1 15 17 1 15 29 1 16 21 1 16 28 1 17 31 1 18 33 1 19 20 1 19 32 1 20 34 1 21 35 1 22 24 1 35 22 -1 23 26 1 23 30 1 24 31 1 25 31 1 25 35 1 27 30 1 28 32 1 28 33 1 29 32 1 29 35 1 30 34 1 33 34 1', 'C30H50O2', 442.344, 'P', 'ph46_535_16', 546, '', '', '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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(5136, '', '(23E)-Lanosta-8,23-diene-3b,25-diol', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH:23]=[CH:24][C:25]([CH3:26])([CH3:27])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@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]3([H])[CH2:6][CH2:7]4', '[H][C@]1([C@H](C)CC=CC(C)(C)O)CC[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])CC4', '[H][C@:50]1([C@H:37]([CH3:19])[CH2:39][CH:126]=[CH:139][C:71]([CH3:30])([CH3:30])O)[CH2:28][CH2:31][C@@:50]2([CH3:24])[C:135]4=[C:134]([CH2:21][CH2:31][C@:45]12[CH3:16])[C@@:37]3([CH3:19])[CH2:36][CH2:28][C@H:79](O)[C@:39]([CH3:28])([CH3:15])[C@:50]3([H])[CH2:18][CH2:27]4', '34 37 H 15.90 -10.32 H 10.98 -14.48 C:21 15.60 -6.89 C:26 22.67 -9.20 C:27 20.81 -10.84 C:28 10.47 -15.37 C:29 8.94 -15.32 C:19 10.98 -10.48 C:30 14.78 -12.67 C:18 14.77 -8.34 O 7.30 -14.13 O 22.17 -10.56 C:23 18.90 -8.72 C:24 20.31 -8.43 C:22 17.96 -7.67 C:7 13.51 -13.40 C:11 12.27 -9.76 C:2 8.50 -11.93 C:6 12.27 -14.10 C:12 13.51 -9.04 C:16 16.94 -10.48 C:1 9.74 -11.18 C:15 16.10 -11.61 C:9 12.27 -11.18 C:8 13.51 -11.93 C:20 16.54 -7.97 C:3 8.50 -13.40 C:25 21.25 -9.51 C:4 9.74 -14.10 C:17 16.10 -9.33 C:5 10.98 -13.40 C:10 10.98 -11.93 C:14 14.76 -11.18 C:13 14.76 -9.76 30 1 -2 31 2 -2 26 3 -2 4 28 1 5 28 1 29 6 -2 29 7 -1 32 8 -1 33 9 -2 34 10 -1 27 11 -1 12 28 1 13 14 2 13 15 1 14 28 1 15 26 1 16 19 1 16 25 1 17 20 1 17 24 1 18 22 1 18 27 1 19 31 1 20 34 1 21 23 1 21 30 1 22 32 1 23 33 1 24 25 2 24 32 1 25 33 1 26 30 1 27 29 1 29 31 1 30 34 1 31 32 1 33 34 1', '34 37 H 15.90 -10.32 H 10.98 -14.48 C 15.60 -6.89 C 22.67 -9.20 C 20.81 -10.84 C 10.47 -15.37 C 8.94 -15.32 C 10.98 -10.48 C 14.78 -12.67 C 14.77 -8.34 O 7.30 -14.13 O 22.17 -10.56 C 18.90 -8.72 C 20.31 -8.43 C 17.96 -7.67 C 13.51 -13.40 C 12.27 -9.76 C 8.50 -11.93 C 12.27 -14.10 C 13.51 -9.04 C 16.94 -10.48 C 9.74 -11.18 C 16.10 -11.61 C 12.27 -11.18 C 13.51 -11.93 C 16.54 -7.97 C 8.50 -13.40 C 21.25 -9.51 C 9.74 -14.10 C 16.10 -9.33 C 10.98 -13.40 C 10.98 -11.93 C 14.76 -11.18 C 14.76 -9.76 30 1 -2 31 2 -2 26 3 -2 4 28 1 5 28 1 29 6 -2 29 7 -1 32 8 -1 33 9 -2 34 10 -1 27 11 -1 12 28 1 13 14 2 13 15 1 14 28 1 15 26 1 16 19 1 16 25 1 17 20 1 17 24 1 18 22 1 18 27 1 19 31 1 20 34 1 21 23 1 21 30 1 22 32 1 23 33 1 24 25 2 24 32 1 25 33 1 26 30 1 27 29 1 29 31 1 30 34 1 31 32 1 33 34 1', '34 37 H 15.90 -10.32 H 10.98 -14.48 C:19 15.60 -6.89 C:30 22.67 -9.20 C:30 20.81 -10.84 C:28 10.47 -15.37 C:15 8.94 -15.32 C:19 10.98 -10.48 C:24 14.78 -12.67 C:16 14.77 -8.34 O 7.30 -14.13 O 22.17 -10.56 C:126 18.90 -8.72 C:139 20.31 -8.43 C:39 17.96 -7.67 C:27 13.51 -13.40 C:21 12.27 -9.76 C:28 8.50 -11.93 C:18 12.27 -14.10 C:31 13.51 -9.04 C:28 16.94 -10.48 C:36 9.74 -11.18 C:31 16.10 -11.61 C:134 12.27 -11.18 C:135 13.51 -11.93 C:37 16.54 -7.97 C:79 8.50 -13.40 C:71 21.25 -9.51 C:39 9.74 -14.10 C:50 16.10 -9.33 C:50 10.98 -13.40 C:37 10.98 -11.93 C:50 14.76 -11.18 C:45 14.76 -9.76 30 1 -2 31 2 -2 26 3 -2 4 28 1 5 28 1 29 6 -2 29 7 -1 32 8 -1 33 9 -2 34 10 -1 27 11 -1 12 28 1 13 14 2 13 15 1 14 28 1 15 26 1 16 19 1 16 25 1 17 20 1 17 24 1 18 22 1 18 27 1 19 31 1 20 34 1 21 23 1 21 30 1 22 32 1 23 33 1 24 25 2 24 32 1 25 33 1 26 30 1 27 29 1 29 31 1 30 34 1 31 32 1 33 34 1', 'C30H50O2', 442.336, 'C', 'ph50_849_17', 1276, '', '', '1', 1, NULL, NULL),
(5137, 'Ineleganene', '', 'Terpenoids', 'Diterpenoids', 'Lobanes', '[CH2:9]=[CH:8][C@@:1]1([CH3:7])[CH2:6][CH2:5][C@@H:4]([C:13]([CH3:14])=[CH:15][CH2:16][CH2:17][C:18](=[CH2:19])[CH3:20])[CH2:3][C@@H:2]1[C:10](=[CH2:11])[CH3:12]', 'C=C[C@@]1(C)CC[C@@H](C(C)=CCCC(=C)C)C[C@@H]1C(=C)C', '[CH2:110]=[CH:150][C@@:40]1([CH3:17])[CH2:40][CH2:27][C@@H:45]([C:132]([CH3:26])=[CH:124][CH2:27][CH2:35][C:155](=[CH2:107])[CH3:18])[CH2:33][C@@H:53]1[C:148](=[CH2:112])[CH3:25]', '20 20 C:9 9.51 -10.12 C:19 20.40 -13.60 C:11 9.51 -11.51 C:20 21.63 -11.51 C:12 10.73 -13.60 C:14 15.55 -13.60 C:7 11.95 -8.71 C:8 10.73 -9.42 C:15 16.78 -11.51 C:16 17.99 -12.22 C:17 19.19 -11.51 C:5 14.35 -10.12 C:6 13.14 -9.42 C:3 13.14 -12.22 C:18 20.40 -12.22 C:10 10.73 -12.22 C:13 15.55 -12.22 C:4 14.35 -11.51 C:2 11.95 -11.51 C:1 11.95 -10.12 1 8 2 2 15 2 3 16 2 4 15 1 5 16 1 6 17 1 20 7 -2 20 8 -1 9 10 1 9 17 2 10 11 1 11 15 1 12 13 1 12 18 1 13 20 1 14 18 1 14 19 1 19 16 -2 18 17 -1 19 20 1', '20 20 C 9.51 -10.12 C 20.40 -13.60 C 9.51 -11.51 C 21.63 -11.51 C 10.73 -13.60 C 15.55 -13.60 C 11.95 -8.71 C 10.73 -9.42 C 16.78 -11.51 C 17.99 -12.22 C 19.19 -11.51 C 14.35 -10.12 C 13.14 -9.42 C 13.14 -12.22 C 20.40 -12.22 C 10.73 -12.22 C 15.55 -12.22 C 14.35 -11.51 C 11.95 -11.51 C 11.95 -10.12 1 8 2 2 15 2 3 16 2 4 15 1 5 16 1 6 17 1 20 7 -2 20 8 -1 9 10 1 9 17 2 10 11 1 11 15 1 12 13 1 12 18 1 13 20 1 14 18 1 14 19 1 19 16 -2 18 17 -1 19 20 1', '20 20 C:110 9.51 -10.12 C:107 20.40 -13.60 C:112 9.51 -11.51 C:18 21.63 -11.51 C:25 10.73 -13.60 C:26 15.55 -13.60 C:17 11.95 -8.71 C:150 10.73 -9.42 C:124 16.78 -11.51 C:27 17.99 -12.22 C:35 19.19 -11.51 C:27 14.35 -10.12 C:40 13.14 -9.42 C:33 13.14 -12.22 C:155 20.40 -12.22 C:148 10.73 -12.22 C:132 15.55 -12.22 C:45 14.35 -11.51 C:53 11.95 -11.51 C:40 11.95 -10.12 1 8 2 2 15 2 3 16 2 4 15 1 5 16 1 6 17 1 20 7 -2 20 8 -1 9 10 1 9 17 2 10 11 1 11 15 1 12 13 1 12 18 1 13 20 1 14 18 1 14 19 1 19 16 -2 18 17 -1 19 20 1', 'C20H32', 272.214, 'C', 'np00_843_1', 314, '', '', '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
(5156, '', '7-Hidroxy-10alpha-Methyl-13-deisopropyldehydroabietinol', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][CH:7](O)[c:8]1[cH:14][cH:13][cH:12][cH:11][c:9]1[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O', '[H][C@@]23CC(O)c1ccccc1[C@]2(C)CCC[C@@]3(C)CO', '[H][C@@:42]23[CH2:31][CH:66](O)[c:140]1[cH:127][cH:126][cH:125][cH:124][c:144]1[C@:38]2([CH3:32])[CH2:37][CH2:18][CH2:35][C@@:39]3([CH3:20])[CH2:72]O', '20 22 H 15.00 -12.64 C:18 14.74 -13.50 C:20 15.00 -8.87 O 11.37 -12.99 O 18.66 -12.46 C:13 18.69 -8.14 C:12 17.46 -7.47 C:14 18.69 -9.59 C:11 16.23 -8.14 C:19 12.71 -13.40 C:2 12.52 -10.31 C:3 12.52 -11.74 C:1 13.75 -9.59 C:6 16.23 -12.43 C:8 17.46 -10.31 C:9 16.23 -9.59 C:7 17.46 -11.74 C:4 13.75 -12.43 C:5 15.00 -11.74 C:10 15.00 -10.31 19 1 -2 18 2 -1 20 3 -2 4 10 1 5 17 1 6 7 1 6 8 2 7 9 2 8 15 1 9 16 1 18 10 -2 11 12 1 11 13 1 12 18 1 13 20 1 14 17 1 14 19 1 15 16 2 15 17 1 16 20 1 18 19 1 19 20 1', '20 22 H 15.00 -12.64 C 14.74 -13.50 C 15.00 -8.87 O 11.37 -12.99 O 18.66 -12.46 C 18.69 -8.14 C 17.46 -7.47 C 18.69 -9.59 C 16.23 -8.14 C 12.71 -13.40 C 12.52 -10.31 C 12.52 -11.74 C 13.75 -9.59 C 16.23 -12.43 C 17.46 -10.31 C 16.23 -9.59 C 17.46 -11.74 C 13.75 -12.43 C 15.00 -11.74 C 15.00 -10.31 19 1 -2 18 2 -1 20 3 -2 4 10 1 5 17 1 6 7 1 6 8 2 7 9 2 8 15 1 9 16 1 18 10 -2 11 12 1 11 13 1 12 18 1 13 20 1 14 17 1 14 19 1 15 16 2 15 17 1 16 20 1 18 19 1 19 20 1', '20 22 H 15.00 -12.64 C:20 14.74 -13.50 C:32 15.00 -8.87 O 11.37 -12.99 O 18.66 -12.46 C:126 18.69 -8.14 C:125 17.46 -7.47 C:127 18.69 -9.59 C:124 16.23 -8.14 C:72 12.71 -13.40 C:18 12.52 -10.31 C:35 12.52 -11.74 C:37 13.75 -9.59 C:31 16.23 -12.43 C:140 17.46 -10.31 C:144 16.23 -9.59 C:66 17.46 -11.74 C:39 13.75 -12.43 C:42 15.00 -11.74 C:38 15.00 -10.31 19 1 -2 18 2 -1 20 3 -2 4 10 1 5 17 1 6 7 1 6 8 2 7 9 2 8 15 1 9 16 1 18 10 -2 11 12 1 11 13 1 12 18 1 13 20 1 14 17 1 14 19 1 15 16 2 15 17 1 16 20 1 18 19 1 19 20 1', 'C17H24O2', 260.189, 'C', 'pm_02_680_14', 727, '', '', '1', 1, NULL, NULL),
(5157, '', '3b,11-Dihydroxy-12-Methoxyabieta-8,11,13-trien-7-one', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O[CH3:12001])[c:11](O)[c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC(=O)c1cc(C(C)C)c(OC)c(O)c1[C@@]2(C)CC[C@H](O)[C@]3(C)C', '[H][C@@:50]23[CH2:35][C:199](=O)[c:129]1[cH:117][c:139]([CH:27]([CH3:24])[CH3:23])[c:149](O[CH3:62])[c:146](O)[c:137]1[C@@:39]2([CH3:18])[CH2:35][CH2:28][C@H:78](O)[C@:40]3([CH3:28])[CH3:15]', '26 28 H 14.33 -14.35 C:12001 18.00 -7.08 C:16 19.25 -7.74 C:17 20.48 -9.85 C:18 14.07 -15.21 C:19 12.06 -15.11 C:20 14.33 -10.57 O 17.93 -14.25 O 14.37 -9.10 O 10.67 -14.15 C:14 18.02 -11.29 C:2 11.87 -12.02 C:1 13.09 -11.29 C:6 15.56 -14.14 O 16.79 -7.78 C:7 16.79 -13.44 C:11 15.56 -9.85 C:8 16.79 -12.02 C:13 18.02 -9.85 C:12 16.79 -9.18 C:9 15.56 -11.29 C:15 19.25 -9.18 C:3 11.87 -13.44 C:4 13.09 -14.14 C:5 14.33 -13.44 C:10 14.33 -12.02 25 1 -2 2 15 1 3 22 1 4 22 1 24 5 -2 24 6 -1 26 7 -1 8 16 2 9 17 1 23 10 -1 11 18 1 11 19 2 12 13 1 12 23 1 13 26 1 14 16 1 14 25 1 15 20 1 16 18 1 17 20 2 17 21 1 18 21 2 19 20 1 19 22 1 21 26 1 23 24 1 24 25 1 25 26 1', '26 28 H 14.33 -14.35 C 18.00 -7.08 C 19.25 -7.74 C 20.48 -9.85 C 14.07 -15.21 C 12.06 -15.11 C 14.33 -10.57 O 17.93 -14.25 O 14.37 -9.10 O 10.67 -14.15 C 18.02 -11.29 C 11.87 -12.02 C 13.09 -11.29 C 15.56 -14.14 O 16.79 -7.78 C 16.79 -13.44 C 15.56 -9.85 C 16.79 -12.02 C 18.02 -9.85 C 16.79 -9.18 C 15.56 -11.29 C 19.25 -9.18 C 11.87 -13.44 C 13.09 -14.14 C 14.33 -13.44 C 14.33 -12.02 25 1 -2 2 15 1 3 22 1 4 22 1 24 5 -2 24 6 -1 26 7 -1 8 16 2 9 17 1 23 10 -1 11 18 1 11 19 2 12 13 1 12 23 1 13 26 1 14 16 1 14 25 1 15 20 1 16 18 1 17 20 2 17 21 1 18 21 2 19 20 1 19 22 1 21 26 1 23 24 1 24 25 1 25 26 1', '26 28 H 14.33 -14.35 C:62 18.00 -7.08 C:24 19.25 -7.74 C:23 20.48 -9.85 C:28 14.07 -15.21 C:15 12.06 -15.11 C:18 14.33 -10.57 O 17.93 -14.25 O 14.37 -9.10 O 10.67 -14.15 C:117 18.02 -11.29 C:28 11.87 -12.02 C:35 13.09 -11.29 C:35 15.56 -14.14 O 16.79 -7.78 C:199 16.79 -13.44 C:146 15.56 -9.85 C:129 16.79 -12.02 C:139 18.02 -9.85 C:149 16.79 -9.18 C:137 15.56 -11.29 C:27 19.25 -9.18 C:78 11.87 -13.44 C:40 13.09 -14.14 C:50 14.33 -13.44 C:39 14.33 -12.02 25 1 -2 2 15 1 3 22 1 4 22 1 24 5 -2 24 6 -1 26 7 -1 8 16 2 9 17 1 23 10 -1 11 18 1 11 19 2 12 13 1 12 23 1 13 26 1 14 16 1 14 25 1 15 20 1 16 18 1 17 20 2 17 21 1 18 21 2 19 20 1 19 22 1 21 26 1 23 24 1 24 25 1 25 26 1', 'C21H30O4', 346.23, 'C', 'pm02_764_1', 1548, '', '', '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
(5183, '', '15alpha-Hidroxytrachylobane-3,14-dione', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]15[C:14](=O)[C@H:13]4[C@@H:12]([CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]3([CH3:18])[CH3:19])[C@@:16]4([CH3:17])[C@@H:15]5O', '[H][C@@]23CC[C@]15C(=O)[C@H]4[C@@H](C[C@]1([H])[C@@]2(C)CCC(=O)[C@]3(C)C)[C@@]4(C)[C@@H]5O', '[H][C@@:55]23[CH2:20][CH2:28][C@:50]15[C:212](=O)[C@H:40]4[C@@H:35]([CH2:19][C@:49]1([H])[C@@:37]2([CH3:13])[CH2:38][CH2:34][C:217](=O)[C@:48]3([CH3:25])[CH3:22])[C@@:38]4([CH3:18])[C@@H:77]5O', '25 29 H 14.85 -13.51 H 16.14 -11.42 C:18 14.59 -14.30 C:19 12.53 -14.21 C:20 14.84 -9.52 C:17 20.01 -8.03 O 11.08 -13.13 O 15.69 -9.18 O 19.87 -10.99 C:2 12.31 -10.99 C:1 13.58 -10.26 C:6 16.14 -13.21 C:7 17.41 -12.45 C:11 16.14 -8.77 C:3 12.31 -12.45 C:14 16.92 -9.83 C:15 18.67 -10.26 C:12 17.41 -8.03 C:13 17.75 -9.37 C:4 13.58 -13.21 C:5 14.84 -12.45 C:9 16.14 -10.26 C:10 14.84 -10.99 C:16 18.67 -8.77 C:8 17.41 -10.99 21 1 -2 22 2 -2 20 3 -2 20 4 -1 23 5 -1 24 6 -2 7 15 2 8 16 2 17 9 -2 10 11 1 10 15 1 11 23 1 12 13 1 12 21 1 13 25 1 14 18 1 14 22 1 15 20 1 16 19 1 25 16 -1 17 24 1 17 25 1 18 19 -1 18 24 1 19 24 -1 20 21 1 21 23 1 22 23 1 22 25 1', '25 29 H 14.85 -13.51 H 16.14 -11.42 C 14.59 -14.30 C 12.53 -14.21 C 14.84 -9.52 C 20.01 -8.03 O 11.08 -13.13 O 15.69 -9.18 O 19.87 -10.99 C 12.31 -10.99 C 13.58 -10.26 C 16.14 -13.21 C 17.41 -12.45 C 16.14 -8.77 C 12.31 -12.45 C 16.92 -9.83 C 18.67 -10.26 C 17.41 -8.03 C 17.75 -9.37 C 13.58 -13.21 C 14.84 -12.45 C 16.14 -10.26 C 14.84 -10.99 C 18.67 -8.77 C 17.41 -10.99 21 1 -2 22 2 -2 20 3 -2 20 4 -1 23 5 -1 24 6 -2 7 15 2 8 16 2 17 9 -2 10 11 1 10 15 1 11 23 1 12 13 1 12 21 1 13 25 1 14 18 1 14 22 1 15 20 1 16 19 1 25 16 -1 17 24 1 17 25 1 18 19 -1 18 24 1 19 24 -1 20 21 1 21 23 1 22 23 1 22 25 1', '25 29 H 14.85 -13.51 H 16.14 -11.42 C:25 14.59 -14.30 C:22 12.53 -14.21 C:13 14.84 -9.52 C:18 20.01 -8.03 O 11.08 -13.13 O 15.69 -9.18 O 19.87 -10.99 C:34 12.31 -10.99 C:38 13.58 -10.26 C:20 16.14 -13.21 C:28 17.41 -12.45 C:19 16.14 -8.77 C:217 12.31 -12.45 C:212 16.92 -9.83 C:77 18.67 -10.26 C:35 17.41 -8.03 C:40 17.75 -9.37 C:48 13.58 -13.21 C:55 14.84 -12.45 C:49 16.14 -10.26 C:37 14.84 -10.99 C:38 18.67 -8.77 C:50 17.41 -10.99 21 1 -2 22 2 -2 20 3 -2 20 4 -1 23 5 -1 24 6 -2 7 15 2 8 16 2 17 9 -2 10 11 1 10 15 1 11 23 1 12 13 1 12 21 1 13 25 1 14 18 1 14 22 1 15 20 1 16 19 1 25 16 -1 17 24 1 17 25 1 18 19 -1 18 24 1 19 24 -1 20 21 1 21 23 1 22 23 1 22 25 1', 'C20H28O3', 316.228, 'C', 'np07_913_21', 163, '', '', '1', 1, NULL, NULL),
(5184, '', '3alpha-15 beta-Dihydroxy-ent-trachyloban-14-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[C:14](=O)[C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@:4]3([CH3:19])[CH3:18])[C@:16]4([CH3:17])[C@H:15]5O', '[H][C@]23CC[C@@]15C(=O)[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@]3(C)C)[C@]4(C)[C@H]5O', '[H][C@:54]23[CH2:19][CH2:28][C@@:50]15[C:212](=O)[C@@H:40]4[C@H:35]([CH2:19][C@@:50]1([H])[C@:37]2([CH3:14])[CH2:37][CH2:27][C@@H:79](O)[C@:39]3([CH3:16])[CH3:28])[C@:37]4([CH3:18])[C@H:77]5O', '25 29 H 14.86 -13.50 H 16.15 -11.42 C:19 12.53 -14.20 C:18 14.59 -14.30 C:20 14.85 -9.52 C:17 20.01 -8.03 O 15.69 -9.18 O 11.08 -13.11 O 19.88 -10.98 C:2 12.31 -10.99 C:1 13.58 -10.26 C:6 16.15 -13.20 C:7 17.42 -12.44 C:11 16.15 -8.77 C:14 16.93 -9.83 C:3 12.31 -12.44 C:15 18.68 -10.26 C:12 17.42 -8.03 C:13 17.76 -9.37 C:4 13.58 -13.20 C:5 14.85 -12.44 C:9 16.15 -10.26 C:10 14.85 -10.99 C:16 18.68 -8.77 C:8 17.42 -10.99 21 1 -1 22 2 -1 20 3 -2 20 4 -1 23 5 -2 24 6 -1 7 15 2 16 8 -2 17 9 -1 10 11 1 10 16 1 11 23 1 12 13 1 12 21 1 13 25 1 14 18 1 14 22 1 15 19 1 25 15 -2 16 20 1 17 24 1 17 25 1 18 19 -2 18 24 1 19 24 -2 20 21 1 21 23 1 22 23 1 22 25 1', '25 29 H 14.86 -13.50 H 16.15 -11.42 C 12.53 -14.20 C 14.59 -14.30 C 14.85 -9.52 C 20.01 -8.03 O 15.69 -9.18 O 11.08 -13.11 O 19.88 -10.98 C 12.31 -10.99 C 13.58 -10.26 C 16.15 -13.20 C 17.42 -12.44 C 16.15 -8.77 C 16.93 -9.83 C 12.31 -12.44 C 18.68 -10.26 C 17.42 -8.03 C 17.76 -9.37 C 13.58 -13.20 C 14.85 -12.44 C 16.15 -10.26 C 14.85 -10.99 C 18.68 -8.77 C 17.42 -10.99 21 1 -1 22 2 -1 20 3 -2 20 4 -1 23 5 -2 24 6 -1 7 15 2 16 8 -2 17 9 -1 10 11 1 10 16 1 11 23 1 12 13 1 12 21 1 13 25 1 14 18 1 14 22 1 15 19 1 25 15 -2 16 20 1 17 24 1 17 25 1 18 19 -2 18 24 1 19 24 -2 20 21 1 21 23 1 22 23 1 22 25 1', '25 29 H 14.86 -13.50 H 16.15 -11.42 C:16 12.53 -14.20 C:28 14.59 -14.30 C:14 14.85 -9.52 C:18 20.01 -8.03 O 15.69 -9.18 O 11.08 -13.11 O 19.88 -10.98 C:27 12.31 -10.99 C:37 13.58 -10.26 C:19 16.15 -13.20 C:28 17.42 -12.44 C:19 16.15 -8.77 C:212 16.93 -9.83 C:79 12.31 -12.44 C:77 18.68 -10.26 C:35 17.42 -8.03 C:40 17.76 -9.37 C:39 13.58 -13.20 C:54 14.85 -12.44 C:50 16.15 -10.26 C:37 14.85 -10.99 C:37 18.68 -8.77 C:50 17.42 -10.99 21 1 -1 22 2 -1 20 3 -2 20 4 -1 23 5 -2 24 6 -1 7 15 2 16 8 -2 17 9 -1 10 11 1 10 16 1 11 23 1 12 13 1 12 21 1 13 25 1 14 18 1 14 22 1 15 19 1 25 15 -2 16 20 1 17 24 1 17 25 1 18 19 -2 18 24 1 19 24 -2 20 21 1 21 23 1 22 23 1 22 25 1', 'C20H30O3', 318.228, 'C', 'np07_913_15', 163, '', '', '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
(5202, '7-b-Hydroxyfagonene', '', 'Terpenoids', 'Diterpenoids', 'Erythroxanes', '[H][C@:8]13[CH2:14][C@@:13]([CH3:17])([C@H:15](O)[CH2:16]O)[CH2:12][CH2:11][C@:9]1([CH3:20])[C@@:10]2([H])[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@@:5]2([CH3:19])[CH2:6][C@@H:7]3O', '[H][C@]13C[C@@](C)([C@H](O)CO)CC[C@]1(C)[C@@]2([H])CCC=C(C)[C@@]2(C)C[C@@H]3O', '[H][C@:49]13[CH2:30][C@@:39]([CH3:20])([C@H:82](O)[CH2:63]O)[CH2:30][CH2:25][C@:40]1([CH3:13])[C@@:53]2([H])[CH2:18][CH2:37][CH:124]=[C:140]([CH3:20])[C@@:37]2([CH3:34])[CH2:48][C@@H:69]3O', '25 27 H 16.25 -9.94 H 13.75 -10.02 C:18 12.47 -14.56 C:17 18.34 -7.59 C:19 13.78 -13.71 C:20 15.01 -11.67 O 21.26 -8.47 O 19.25 -10.50 O 17.47 -13.09 C:3 11.26 -12.39 C:2 11.26 -10.95 C:16 19.91 -8.11 C:1 12.50 -10.22 C:12 16.25 -8.05 C:11 15.01 -8.76 C:6 15.01 -13.12 C:14 17.50 -10.22 C:4 12.50 -13.12 C:15 18.89 -9.14 C:7 16.25 -12.39 C:13 17.50 -8.76 C:8 16.25 -10.95 C:10 13.75 -10.95 C:5 13.75 -12.39 C:9 15.01 -10.22 22 1 -1 23 2 -1 3 18 1 21 4 -1 24 5 -1 25 6 -2 7 12 1 19 8 -1 20 9 -1 10 11 1 10 18 2 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 25 1 16 20 1 16 24 1 17 21 1 17 22 1 18 24 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.25 -9.94 H 13.75 -10.02 C 12.47 -14.56 C 18.34 -7.59 C 13.78 -13.71 C 15.01 -11.67 O 21.26 -8.47 O 19.25 -10.50 O 17.47 -13.09 C 11.26 -12.39 C 11.26 -10.95 C 19.91 -8.11 C 12.50 -10.22 C 16.25 -8.05 C 15.01 -8.76 C 15.01 -13.12 C 17.50 -10.22 C 12.50 -13.12 C 18.89 -9.14 C 16.25 -12.39 C 17.50 -8.76 C 16.25 -10.95 C 13.75 -10.95 C 13.75 -12.39 C 15.01 -10.22 22 1 -1 23 2 -1 3 18 1 21 4 -1 24 5 -1 25 6 -2 7 12 1 19 8 -1 20 9 -1 10 11 1 10 18 2 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 25 1 16 20 1 16 24 1 17 21 1 17 22 1 18 24 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.25 -9.94 H 13.75 -10.02 C:20 12.47 -14.56 C:20 18.34 -7.59 C:34 13.78 -13.71 C:13 15.01 -11.67 O 21.26 -8.47 O 19.25 -10.50 O 17.47 -13.09 C:124 11.26 -12.39 C:37 11.26 -10.95 C:63 19.91 -8.11 C:18 12.50 -10.22 C:30 16.25 -8.05 C:25 15.01 -8.76 C:48 15.01 -13.12 C:30 17.50 -10.22 C:140 12.50 -13.12 C:82 18.89 -9.14 C:69 16.25 -12.39 C:39 17.50 -8.76 C:49 16.25 -10.95 C:53 13.75 -10.95 C:37 13.75 -12.39 C:40 15.01 -10.22 22 1 -1 23 2 -1 3 18 1 21 4 -1 24 5 -1 25 6 -2 7 12 1 19 8 -1 20 9 -1 10 11 1 10 18 2 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 25 1 16 20 1 16 24 1 17 21 1 17 22 1 18 24 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', 'C20H34O3', 322.228, 'C', 'ph36_1431_4', 8, '', '', '1', 1, NULL, NULL),
(5203, '7-a-Hydroxyfagonene', '', 'Terpenoids', 'Diterpenoids', 'Erythroxanes', '[H][C@:8]13[CH2:14][C@@:13]([CH3:17])([C@H:15](O)[CH2:16]O)[CH2:12][CH2:11][C@:9]1([CH3:20])[C@@:10]2([H])[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@@:5]2([CH3:19])[CH2:6][C@H:7]3O', '[H][C@]13C[C@@](C)([C@H](O)CO)CC[C@]1(C)[C@@]2([H])CCC=C(C)[C@@]2(C)C[C@H]3O', '[H][C@:45]13[CH2:34][C@@:38]([CH3:19])([C@H:83](O)[CH2:64]O)[CH2:31][CH2:25][C@:39]1([CH3:16])[C@@:54]2([H])[CH2:19][CH2:39][CH:123]=[C:142]([CH3:22])[C@@:37]2([CH3:35])[CH2:44][C@H:73]3O', '25 27 H 15.57 -9.99 H 13.07 -10.07 C:18 11.79 -14.61 C:17 17.66 -7.64 C:19 13.10 -13.76 C:20 14.33 -11.72 O 20.58 -8.52 O 18.57 -10.55 O 16.79 -13.14 C:3 10.59 -12.44 C:2 10.59 -11.00 C:16 19.23 -8.16 C:1 11.82 -10.27 C:12 15.57 -8.10 C:11 14.33 -8.81 C:6 14.33 -13.17 C:14 16.82 -10.27 C:4 11.82 -13.17 C:15 18.21 -9.19 C:7 15.57 -12.44 C:13 16.82 -8.81 C:8 15.57 -11.00 C:10 13.07 -11.00 C:5 13.07 -12.44 C:9 14.33 -10.27 22 1 -1 23 2 -1 3 18 1 21 4 -1 24 5 -1 25 6 -2 7 12 1 19 8 -1 20 9 -2 10 11 1 10 18 2 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 25 1 16 20 1 16 24 1 17 21 1 17 22 1 18 24 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 15.57 -9.99 H 13.07 -10.07 C 11.79 -14.61 C 17.66 -7.64 C 13.10 -13.76 C 14.33 -11.72 O 20.58 -8.52 O 18.57 -10.55 O 16.79 -13.14 C 10.59 -12.44 C 10.59 -11.00 C 19.23 -8.16 C 11.82 -10.27 C 15.57 -8.10 C 14.33 -8.81 C 14.33 -13.17 C 16.82 -10.27 C 11.82 -13.17 C 18.21 -9.19 C 15.57 -12.44 C 16.82 -8.81 C 15.57 -11.00 C 13.07 -11.00 C 13.07 -12.44 C 14.33 -10.27 22 1 -1 23 2 -1 3 18 1 21 4 -1 24 5 -1 25 6 -2 7 12 1 19 8 -1 20 9 -2 10 11 1 10 18 2 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 25 1 16 20 1 16 24 1 17 21 1 17 22 1 18 24 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 15.57 -9.99 H 13.07 -10.07 C:22 11.79 -14.61 C:19 17.66 -7.64 C:35 13.10 -13.76 C:16 14.33 -11.72 O 20.58 -8.52 O 18.57 -10.55 O 16.79 -13.14 C:123 10.59 -12.44 C:39 10.59 -11.00 C:64 19.23 -8.16 C:19 11.82 -10.27 C:31 15.57 -8.10 C:25 14.33 -8.81 C:44 14.33 -13.17 C:34 16.82 -10.27 C:142 11.82 -13.17 C:83 18.21 -9.19 C:73 15.57 -12.44 C:38 16.82 -8.81 C:45 15.57 -11.00 C:54 13.07 -11.00 C:37 13.07 -12.44 C:39 14.33 -10.27 22 1 -1 23 2 -1 3 18 1 21 4 -1 24 5 -1 25 6 -2 7 12 1 19 8 -1 20 9 -2 10 11 1 10 18 2 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 25 1 16 20 1 16 24 1 17 21 1 17 22 1 18 24 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', 'C20H34O3', 322.228, 'C', 'ph36_1431_5', 8, '', '', '1', 1, NULL, NULL),
(5204, '2,7-Dioxofagonene', '', 'Terpenoids', 'Diterpenoids', 'Erythroxanes', '[H][C@:8]13[CH2:14][C@@:13]([CH3:17])([C@H:15](O)[CH2:16]O)[CH2:12][CH2:11][C@:9]1([CH3:20])[C@@:10]2([H])[CH2:1][C:2](=O)[CH:3]=[C:4]([CH3:18])[C@@:5]2([CH3:19])[CH2:6][C:7]3=O', '[H][C@]13C[C@@](C)([C@H](O)CO)CC[C@]1(C)[C@@]2([H])CC(=O)C=C(C)[C@@]2(C)CC3=O', '[H][C@:53]13[CH2:34][C@@:45]([CH3:19])([C@H:82](O)[CH2:63]O)[CH2:30][CH2:28][C@:46]1([CH3:16])[C@@:55]2([H])[CH2:36][C:201](=O)[CH:128]=[C:170]([CH3:22])[C@@:31]2([CH3:33])[CH2:51][C:213]3=O', '26 28 H 15.57 -9.99 H 13.07 -10.07 C:18 11.79 -14.61 C:17 17.66 -7.64 C:19 13.10 -13.76 C:20 14.33 -11.72 O 9.38 -10.30 O 16.79 -13.14 O 20.58 -8.52 O 18.57 -10.55 C:3 10.59 -12.44 C:16 19.23 -8.16 C:12 15.57 -8.10 C:11 14.33 -8.81 C:1 11.82 -10.27 C:6 14.33 -13.17 C:14 16.82 -10.27 C:2 10.59 -11.00 C:4 11.82 -13.17 C:7 15.57 -12.44 C:15 18.21 -9.19 C:13 16.82 -8.81 C:8 15.57 -11.00 C:10 13.07 -11.00 C:5 13.07 -12.44 C:9 14.33 -10.27 23 1 -1 24 2 -1 3 19 1 22 4 -1 25 5 -1 26 6 -2 7 18 2 8 20 2 9 12 1 21 10 -1 11 18 1 11 19 2 12 21 1 13 14 1 13 22 1 14 26 1 15 18 1 15 24 1 16 20 1 16 25 1 17 22 1 17 23 1 19 25 1 20 23 1 21 22 1 23 26 1 24 25 1 24 26 1', '26 28 H 15.57 -9.99 H 13.07 -10.07 C 11.79 -14.61 C 17.66 -7.64 C 13.10 -13.76 C 14.33 -11.72 O 9.38 -10.30 O 16.79 -13.14 O 20.58 -8.52 O 18.57 -10.55 C 10.59 -12.44 C 19.23 -8.16 C 15.57 -8.10 C 14.33 -8.81 C 11.82 -10.27 C 14.33 -13.17 C 16.82 -10.27 C 10.59 -11.00 C 11.82 -13.17 C 15.57 -12.44 C 18.21 -9.19 C 16.82 -8.81 C 15.57 -11.00 C 13.07 -11.00 C 13.07 -12.44 C 14.33 -10.27 23 1 -1 24 2 -1 3 19 1 22 4 -1 25 5 -1 26 6 -2 7 18 2 8 20 2 9 12 1 21 10 -1 11 18 1 11 19 2 12 21 1 13 14 1 13 22 1 14 26 1 15 18 1 15 24 1 16 20 1 16 25 1 17 22 1 17 23 1 19 25 1 20 23 1 21 22 1 23 26 1 24 25 1 24 26 1', '26 28 H 15.57 -9.99 H 13.07 -10.07 C:22 11.79 -14.61 C:19 17.66 -7.64 C:33 13.10 -13.76 C:16 14.33 -11.72 O 9.38 -10.30 O 16.79 -13.14 O 20.58 -8.52 O 18.57 -10.55 C:128 10.59 -12.44 C:63 19.23 -8.16 C:30 15.57 -8.10 C:28 14.33 -8.81 C:36 11.82 -10.27 C:51 14.33 -13.17 C:34 16.82 -10.27 C:201 10.59 -11.00 C:170 11.82 -13.17 C:213 15.57 -12.44 C:82 18.21 -9.19 C:45 16.82 -8.81 C:53 15.57 -11.00 C:55 13.07 -11.00 C:31 13.07 -12.44 C:46 14.33 -10.27 23 1 -1 24 2 -1 3 19 1 22 4 -1 25 5 -1 26 6 -2 7 18 2 8 20 2 9 12 1 21 10 -1 11 18 1 11 19 2 12 21 1 13 14 1 13 22 1 14 26 1 15 18 1 15 24 1 16 20 1 16 25 1 17 22 1 17 23 1 19 25 1 20 23 1 21 22 1 23 26 1 24 25 1 24 26 1', 'C20H30O4', 334.227, 'C', 'ph36_1431_6', 8, '', '', '1', 1, NULL, NULL),
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(5219, '', '12,15-Epoxy-5alphaH,9betaH-labda-8(17),13-dien-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH:12]1O[CH2:15][CH:14]=[C:13]1[CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O', '[H][C@@]23CCC(=C)[C@@H](CC1OCC=C1C)[C@@]2(C)CCC[C@]3(C)C(=O)O', '[H][C@@:56]23[CH2:26][CH2:39][C:149](=[CH2:105])[C@@H:52]([CH2:29][CH:75]1O[CH2:57][CH:127]=[C:137]1[CH3:10])[C@@:44]2([CH3:13])[CH2:39][CH2:20][CH2:36][C@:39]3([CH3:30])[C:180](=O)O', '24 26 H 15.02 -13.85 C:17 18.72 -10.74 C:16 16.59 -6.28 C:18 14.74 -14.66 C:20 15.02 -10.03 O 13.25 -15.99 O 11.47 -14.35 C:14 19.01 -6.93 C:15 19.71 -8.14 C:2 12.56 -11.46 C:7 17.48 -12.89 C:3 12.56 -12.89 C:1 13.79 -10.74 C:6 16.25 -13.61 C:11 16.25 -9.32 O 18.77 -9.18 C:8 17.48 -11.46 C:13 17.63 -7.22 C:19 12.84 -14.65 C:12 17.48 -8.61 C:9 16.25 -10.74 C:5 15.02 -12.89 C:4 13.79 -13.61 C:10 15.02 -11.46 22 1 -2 2 17 2 3 18 1 23 4 -2 24 5 -1 6 19 2 7 19 1 8 9 1 8 18 2 9 16 1 10 12 1 10 13 1 11 14 1 11 17 1 12 23 1 13 24 1 14 22 1 15 20 1 21 15 -2 16 20 1 17 21 1 18 20 1 23 19 -1 21 24 1 22 23 1 22 24 1', '24 26 H 15.02 -13.85 C 18.72 -10.74 C 16.59 -6.28 C 14.74 -14.66 C 15.02 -10.03 O 13.25 -15.99 O 11.47 -14.35 C 19.01 -6.93 C 19.71 -8.14 C 12.56 -11.46 C 17.48 -12.89 C 12.56 -12.89 C 13.79 -10.74 C 16.25 -13.61 C 16.25 -9.32 O 18.77 -9.18 C 17.48 -11.46 C 17.63 -7.22 C 12.84 -14.65 C 17.48 -8.61 C 16.25 -10.74 C 15.02 -12.89 C 13.79 -13.61 C 15.02 -11.46 22 1 -2 2 17 2 3 18 1 23 4 -2 24 5 -1 6 19 2 7 19 1 8 9 1 8 18 2 9 16 1 10 12 1 10 13 1 11 14 1 11 17 1 12 23 1 13 24 1 14 22 1 15 20 1 21 15 -2 16 20 1 17 21 1 18 20 1 23 19 -1 21 24 1 22 23 1 22 24 1', '24 26 H 15.02 -13.85 C:105 18.72 -10.74 C:10 16.59 -6.28 C:30 14.74 -14.66 C:13 15.02 -10.03 O 13.25 -15.99 O 11.47 -14.35 C:127 19.01 -6.93 C:57 19.71 -8.14 C:20 12.56 -11.46 C:39 17.48 -12.89 C:36 12.56 -12.89 C:39 13.79 -10.74 C:26 16.25 -13.61 C:29 16.25 -9.32 O 18.77 -9.18 C:149 17.48 -11.46 C:137 17.63 -7.22 C:180 12.84 -14.65 C:75 17.48 -8.61 C:52 16.25 -10.74 C:56 15.02 -12.89 C:39 13.79 -13.61 C:44 15.02 -11.46 22 1 -2 2 17 2 3 18 1 23 4 -2 24 5 -1 6 19 2 7 19 1 8 9 1 8 18 2 9 16 1 10 12 1 10 13 1 11 14 1 11 17 1 12 23 1 13 24 1 14 22 1 15 20 1 21 15 -2 16 20 1 17 21 1 18 20 1 23 19 -1 21 24 1 22 23 1 22 24 1', 'C20H30O3', 318.22, 'D', 'pm06_1334_1', 2462, '', '', '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
(5220, '', '14_methoxy-15,16-dinor-5alphaH,9alphaH-labda-13Ä,8,17-dien-12-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][C:12](=O)[CH:13]=[CH:14]O[CH3:14001])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=C)[C@H](CC(=O)C=COC)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:55]12[CH2:26][CH2:38][C:150](=[CH2:109])[C@H:60]([CH2:41][C:199](=O)[CH:135]=[CH:147]O[CH3:53])[C@@:41]1([CH3:14])[CH2:39][CH2:21][CH2:41][C@:40]2([CH3:30])[CH3:28]', '22 23 H 14.33 -15.49 C:17 18.03 -12.40 C:14001 19.22 -6.02 C:18 14.05 -16.31 C:19 12.15 -16.30 C:20 14.33 -11.69 O 18.02 -10.97 C:14 18.03 -8.14 C:13 16.80 -8.85 C:2 11.87 -13.12 C:7 16.80 -14.54 C:3 11.87 -14.54 C:1 13.10 -12.40 C:6 15.56 -15.25 C:11 15.56 -10.97 O 18.02 -6.73 C:8 16.80 -13.12 C:12 16.80 -10.27 C:9 15.56 -12.40 C:4 13.10 -15.25 C:5 14.33 -14.54 C:10 14.33 -13.12 21 1 -2 2 17 2 3 16 1 20 4 -2 20 5 -1 22 6 -1 7 18 2 8 9 2 8 16 1 9 18 1 10 12 1 10 13 1 11 14 1 11 17 1 12 20 1 13 22 1 14 21 1 15 18 1 19 15 -1 17 19 1 19 22 1 20 21 1 21 22 1', '22 23 H 14.33 -15.49 C 18.03 -12.40 C 19.22 -6.02 C 14.05 -16.31 C 12.15 -16.30 C 14.33 -11.69 O 18.02 -10.97 C 18.03 -8.14 C 16.80 -8.85 C 11.87 -13.12 C 16.80 -14.54 C 11.87 -14.54 C 13.10 -12.40 C 15.56 -15.25 C 15.56 -10.97 O 18.02 -6.73 C 16.80 -13.12 C 16.80 -10.27 C 15.56 -12.40 C 13.10 -15.25 C 14.33 -14.54 C 14.33 -13.12 21 1 -2 2 17 2 3 16 1 20 4 -2 20 5 -1 22 6 -1 7 18 2 8 9 2 8 16 1 9 18 1 10 12 1 10 13 1 11 14 1 11 17 1 12 20 1 13 22 1 14 21 1 15 18 1 19 15 -1 17 19 1 19 22 1 20 21 1 21 22 1', '22 23 H 14.33 -15.49 C:109 18.03 -12.40 C:53 19.22 -6.02 C:30 14.05 -16.31 C:28 12.15 -16.30 C:14 14.33 -11.69 O 18.02 -10.97 C:147 18.03 -8.14 C:135 16.80 -8.85 C:21 11.87 -13.12 C:38 16.80 -14.54 C:41 11.87 -14.54 C:39 13.10 -12.40 C:26 15.56 -15.25 C:41 15.56 -10.97 O 18.02 -6.73 C:150 16.80 -13.12 C:199 16.80 -10.27 C:60 15.56 -12.40 C:40 13.10 -15.25 C:55 14.33 -14.54 C:41 14.33 -13.12 21 1 -2 2 17 2 3 16 1 20 4 -2 20 5 -1 22 6 -1 7 18 2 8 9 2 8 16 1 9 18 1 10 12 1 10 13 1 11 14 1 11 17 1 12 20 1 13 22 1 14 21 1 15 18 1 19 15 -1 17 19 1 19 22 1 20 21 1 21 22 1', 'C19H30O2', 290.21, 'D', 'pm06_1334_2', 2462, '', '', '1', 1, NULL, NULL),
(5221, '', '1alpha-Hydroxy--8,12-epoxyeudesma-4,7,11-triene-6,9-dione', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[CH3:15][C:4]3=[C:5]2[C:6](=O)[c:7]1[c:11]([CH3:13])[cH:12]o[c:8]1[C:9](=O)[C@@:10]2([CH3:14])[C@@H:1](O)[CH2:2][CH2:3]3', 'CC3=C2C(=O)c1c(C)coc1C(=O)[C@@]2(C)[C@@H](O)CC3', '[CH3:24][C:147]3=[C:136]2[C:188](=O)[c:133]1[c:121]([CH3:9])[cH:148]o[c:152]1[C:192](=O)[C@@:55]2([CH3:22])[C@@H:68](O)[CH2:32][CH2:27]3', '19 21 C:15 12.47 -13.73 C:13 18.13 -13.33 C:14 13.73 -8.60 O 15.03 -13.67 O 15.03 -7.94 O 12.46 -7.94 C:12 18.53 -10.81 C:3 11.22 -11.55 C:2 11.22 -10.07 O 17.68 -9.65 C:4 12.47 -12.27 C:6 15.02 -12.27 C:9 15.02 -9.34 C:5 13.73 -11.55 C:11 17.68 -11.96 C:8 16.30 -10.07 C:7 16.30 -11.55 C:1 12.47 -9.34 C:10 13.73 -10.07 1 11 1 2 15 1 19 3 -1 4 12 2 5 13 2 18 6 -2 7 10 1 7 15 2 8 9 1 8 11 1 9 18 1 10 16 1 11 14 2 12 14 1 12 17 1 13 16 1 13 19 1 14 19 1 15 17 1 16 17 2 18 19 1', '19 21 C 12.47 -13.73 C 18.13 -13.33 C 13.73 -8.60 O 15.03 -13.67 O 15.03 -7.94 O 12.46 -7.94 C 18.53 -10.81 C 11.22 -11.55 C 11.22 -10.07 O 17.68 -9.65 C 12.47 -12.27 C 15.02 -12.27 C 15.02 -9.34 C 13.73 -11.55 C 17.68 -11.96 C 16.30 -10.07 C 16.30 -11.55 C 12.47 -9.34 C 13.73 -10.07 1 11 1 2 15 1 19 3 -1 4 12 2 5 13 2 18 6 -2 7 10 1 7 15 2 8 9 1 8 11 1 9 18 1 10 16 1 11 14 2 12 14 1 12 17 1 13 16 1 13 19 1 14 19 1 15 17 1 16 17 2 18 19 1', '19 21 C:24 12.47 -13.73 C:9 18.13 -13.33 C:22 13.73 -8.60 O 15.03 -13.67 O 15.03 -7.94 O 12.46 -7.94 C:148 18.53 -10.81 C:27 11.22 -11.55 C:32 11.22 -10.07 O 17.68 -9.65 C:147 12.47 -12.27 C:188 15.02 -12.27 C:192 15.02 -9.34 C:136 13.73 -11.55 C:121 17.68 -11.96 C:152 16.30 -10.07 C:133 16.30 -11.55 C:68 12.47 -9.34 C:55 13.73 -10.07 1 11 1 2 15 1 19 3 -1 4 12 2 5 13 2 18 6 -2 7 10 1 7 15 2 8 9 1 8 11 1 9 18 1 10 16 1 11 14 2 12 14 1 12 17 1 13 16 1 13 19 1 14 19 1 15 17 1 16 17 2 18 19 1', 'C15H16O4', 260.158, 'D', 'pm06_1334_3', 2462, '', '', '1', 1, NULL, NULL),
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