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
(6873, 'Antheliolide A', '', 'Terpenoids', 'Diterpenoids', 'Xeniaphyllanes', '[H][C@:14]34[CH2:13][CH2:12][C:11]25[C@:1]1([H])[CH2:2][CH2:3][C:4]([CH3:20])=[CH:5][CH2:6][CH2:7][C:8](=[CH2:19])[C@@:9]1([H])[C@:10]2([H])O[C:23]([CH3:24])=[C:21]([C:22](=O)O[C@@:15]3([CH3:17])[CH3:16])[C@@:18]45[H]', '[H][C@]34CCC25[C@]1([H])CCC(C)=CCCC(=C)[C@@]1([H])[C@]2([H])OC(C)=C(C(=O)O[C@@]3(C)C)[C@@]45[H]', '[H][C@:58]34[CH2:28][CH2:42][C:40]25[C@:47]1([H])[CH2:31][CH2:40][C:134]([CH3:17])=[CH:125][CH2:29][CH2:34][C:150](=[CH2:115])[C@@:60]1([H])[C@:81]2([H])O[C:163]([CH3:21])=[C:105]([C:167](=O)O[C@@:84]3([CH3:23])[CH3:30])[C@@:38]45[H]', '32 36 H 13.55 -8.09 H 16.17 -10.20 H 14.78 -13.70 H 16.21 -13.66 H 13.55 -11.45 C:19 16.43 -15.12 C:20 21.25 -10.86 C:24 11.08 -13.37 C:17 12.97 -7.21 C:16 11.59 -7.22 O 9.85 -11.25 C:5 18.78 -11.94 C:6 19.89 -13.34 C:7 18.63 -14.10 C:3 18.63 -9.82 C:2 17.16 -10.08 C:13 14.89 -8.68 C:12 15.73 -9.82 O 11.08 -9.11 O 13.55 -13.37 C:4 19.89 -10.54 C:8 17.16 -13.81 C:23 12.30 -12.67 C:22 11.08 -10.53 C:21 12.30 -11.25 C:15 12.30 -8.41 C:14 13.55 -9.11 C:1 16.21 -11.22 C:10 14.76 -12.69 C:9 16.21 -12.69 C:18 13.55 -10.53 C:11 14.76 -11.22 27 1 -1 28 2 -1 29 3 -1 30 4 -2 31 5 -2 6 22 2 7 21 1 8 23 1 26 9 -2 26 10 -1 11 24 2 12 13 1 12 21 2 13 14 1 14 22 1 15 16 1 15 21 1 16 28 1 17 18 1 17 27 1 18 32 1 19 24 1 19 26 1 20 23 1 20 29 1 22 30 1 23 25 2 24 25 1 25 31 1 26 27 1 27 31 1 28 30 1 28 32 1 29 30 1 29 32 1 31 32 1', '32 36 H 13.55 -8.09 H 16.17 -10.20 H 14.78 -13.70 H 16.21 -13.66 H 13.55 -11.45 C 16.43 -15.12 C 21.25 -10.86 C 11.08 -13.37 C 12.97 -7.21 C 11.59 -7.22 O 9.85 -11.25 C 18.78 -11.94 C 19.89 -13.34 C 18.63 -14.10 C 18.63 -9.82 C 17.16 -10.08 C 14.89 -8.68 C 15.73 -9.82 O 11.08 -9.11 O 13.55 -13.37 C 19.89 -10.54 C 17.16 -13.81 C 12.30 -12.67 C 11.08 -10.53 C 12.30 -11.25 C 12.30 -8.41 C 13.55 -9.11 C 16.21 -11.22 C 14.76 -12.69 C 16.21 -12.69 C 13.55 -10.53 C 14.76 -11.22 27 1 -1 28 2 -1 29 3 -1 30 4 -2 31 5 -2 6 22 2 7 21 1 8 23 1 26 9 -2 26 10 -1 11 24 2 12 13 1 12 21 2 13 14 1 14 22 1 15 16 1 15 21 1 16 28 1 17 18 1 17 27 1 18 32 1 19 24 1 19 26 1 20 23 1 20 29 1 22 30 1 23 25 2 24 25 1 25 31 1 26 27 1 27 31 1 28 30 1 28 32 1 29 30 1 29 32 1 31 32 1', '32 36 H 13.55 -8.09 H 16.17 -10.20 H 14.78 -13.70 H 16.21 -13.66 H 13.55 -11.45 C:115 16.43 -15.12 C:17 21.25 -10.86 C:21 11.08 -13.37 C:23 12.97 -7.21 C:30 11.59 -7.22 O 9.85 -11.25 C:125 18.78 -11.94 C:29 19.89 -13.34 C:34 18.63 -14.10 C:40 18.63 -9.82 C:31 17.16 -10.08 C:28 14.89 -8.68 C:42 15.73 -9.82 O 11.08 -9.11 O 13.55 -13.37 C:134 19.89 -10.54 C:150 17.16 -13.81 C:163 12.30 -12.67 C:167 11.08 -10.53 C:105 12.30 -11.25 C:84 12.30 -8.41 C:58 13.55 -9.11 C:47 16.21 -11.22 C:81 14.76 -12.69 C:60 16.21 -12.69 C:38 13.55 -10.53 C:40 14.76 -11.22 27 1 -1 28 2 -1 29 3 -1 30 4 -2 31 5 -2 6 22 2 7 21 1 8 23 1 26 9 -2 26 10 -1 11 24 2 12 13 1 12 21 2 13 14 1 14 22 1 15 16 1 15 21 1 16 28 1 17 18 1 17 27 1 18 32 1 19 24 1 19 26 1 20 23 1 20 29 1 22 30 1 23 25 2 24 25 1 25 31 1 26 27 1 27 31 1 28 30 1 28 32 1 29 30 1 29 32 1 31 32 1', 'C24H32O3', 368.295, 'B', 'ttl88_1605_8', 770, '', '', '3', 1, NULL, NULL),
(6874, 'Irieol', '', 'Terpenoids', 'Diterpenoids', 'Irieols', '[H][C@:5]23[C@H:6]([CH:10]=[C:11]1[CH2:12][CH2:13][C@@H:14](Br)[C@:15]([CH3:19])([CH3:20])[CH2:16]1)[CH2:7][CH2:8][C@:9]2([CH3:18])[C@@H:1](Br)[CH2:2][CH2:3][C@@:4]3([CH3:17])O', '[H][C@]23[C@H](C=C1CC[C@@H](Br)[C@](C)(C)C1)CC[C@]2(C)[C@@H](Br)CC[C@@]3(C)O', '[H][C@:61]23[C@H:36]([CH:132]=[C:132]1[CH2:34][CH2:29][C@@H:65](Br)[C@:38]([CH3:23])([CH3:30])[CH2:49]1)[CH2:28][CH2:43][C@:48]2([CH3:16])[C@@H:66](Br)[CH2:31][CH2:41][C@@:72]3([CH3:31])O', '24 26 H 18.04 -11.98 C:19 12.22 -11.01 C:20 11.17 -11.94 C:17 18.29 -12.78 C:18 18.04 -8.20 O 20.25 -12.75 Br 10.69 -14.02 Br 19.25 -7.51 C:10 16.24 -12.86 C:12 14.41 -14.52 C:13 13.02 -14.81 C:2 20.49 -9.62 C:7 15.85 -10.34 C:3 20.49 -11.05 C:8 16.68 -9.19 C:16 13.90 -12.09 C:11 14.86 -13.15 C:14 12.06 -13.74 C:1 19.26 -8.91 C:6 16.68 -11.50 C:15 12.50 -12.38 C:4 19.26 -11.77 C:9 18.04 -9.62 C:5 18.04 -11.05 24 1 -2 21 2 -1 21 3 -2 22 4 -2 23 5 -1 22 6 -1 18 7 -1 19 8 -1 9 17 2 20 9 -2 10 11 1 10 17 1 11 18 1 12 14 1 12 19 1 13 15 1 13 20 1 14 22 1 15 23 1 16 17 1 16 21 1 18 21 1 19 23 1 20 24 1 22 24 1 23 24 1', '24 26 H 18.04 -11.98 C 12.22 -11.01 C 11.17 -11.94 C 18.29 -12.78 C 18.04 -8.20 O 20.25 -12.75 Br 10.69 -14.02 Br 19.25 -7.51 C 16.24 -12.86 C 14.41 -14.52 C 13.02 -14.81 C 20.49 -9.62 C 15.85 -10.34 C 20.49 -11.05 C 16.68 -9.19 C 13.90 -12.09 C 14.86 -13.15 C 12.06 -13.74 C 19.26 -8.91 C 16.68 -11.50 C 12.50 -12.38 C 19.26 -11.77 C 18.04 -9.62 C 18.04 -11.05 24 1 -2 21 2 -1 21 3 -2 22 4 -2 23 5 -1 22 6 -1 18 7 -1 19 8 -1 9 17 2 20 9 -2 10 11 1 10 17 1 11 18 1 12 14 1 12 19 1 13 15 1 13 20 1 14 22 1 15 23 1 16 17 1 16 21 1 18 21 1 19 23 1 20 24 1 22 24 1 23 24 1', '24 26 H 18.04 -11.98 C:23 12.22 -11.01 C:30 11.17 -11.94 C:31 18.29 -12.78 C:16 18.04 -8.20 O 20.25 -12.75 Br 10.69 -14.02 Br 19.25 -7.51 C:132 16.24 -12.86 C:34 14.41 -14.52 C:29 13.02 -14.81 C:31 20.49 -9.62 C:28 15.85 -10.34 C:41 20.49 -11.05 C:43 16.68 -9.19 C:49 13.90 -12.09 C:132 14.86 -13.15 C:65 12.06 -13.74 C:66 19.26 -8.91 C:36 16.68 -11.50 C:38 12.50 -12.38 C:72 19.26 -11.77 C:48 18.04 -9.62 C:61 18.04 -11.05 24 1 -2 21 2 -1 21 3 -2 22 4 -2 23 5 -1 22 6 -1 18 7 -1 19 8 -1 9 17 2 20 9 -2 10 11 1 10 17 1 11 18 1 12 14 1 12 19 1 13 15 1 13 20 1 14 22 1 15 23 1 16 17 1 16 21 1 18 21 1 19 23 1 20 24 1 22 24 1 23 24 1', 'C20H32Br2O', 448.029, 'C', 'joc78_4401_14', 913, 'p 599', '', '1', 1, NULL, NULL),
(6875, 'Iriediol', '', 'Terpenoids', 'Diterpenoids', 'Irieols', '[H][C@:5]23[C@H:6]([CH:10]=[C:11]1[CH2:12][CH2:13][C@@H:14](Br)[C@@:15]([CH3:20])([CH3:19])[CH2:16]1)[C@@H:7](O)[CH2:8][C@:9]2([CH3:18])[C@@H:1](Br)[CH2:2][CH2:3][C@@:4]3([CH3:17])O', '[H][C@]23[C@H](C=C1CC[C@@H](Br)[C@@](C)(C)C1)[C@@H](O)C[C@]2(C)[C@@H](Br)CC[C@@]3(C)O', '[H][C@:60]23[C@H:47]([CH:129]=[C:135]1[CH2:34][CH2:28][C@@H:65](Br)[C@@:38]([CH3:30])([CH3:23])[CH2:49]1)[C@@H:78](O)[CH2:51][C@:47]2([CH3:18])[C@@H:66](Br)[CH2:31][CH2:43][C@@:72]3([CH3:31])O', '25 27 H 18.04 -11.98 C:20 11.17 -11.94 C:19 12.22 -11.01 C:17 18.29 -12.78 C:18 18.04 -8.20 O 14.45 -10.34 O 20.25 -12.75 Br 10.69 -14.02 Br 19.25 -7.51 C:10 16.24 -12.86 C:12 14.41 -14.52 C:13 13.02 -14.81 C:2 20.49 -9.62 C:3 20.49 -11.05 C:16 13.90 -12.09 C:8 16.68 -9.19 C:11 14.86 -13.15 C:7 15.85 -10.34 C:14 12.06 -13.74 C:1 19.26 -8.91 C:6 16.68 -11.50 C:15 12.50 -12.38 C:4 19.26 -11.77 C:9 18.04 -9.62 C:5 18.04 -11.05 25 1 -2 22 2 -2 22 3 -1 23 4 -2 24 5 -1 18 6 -1 23 7 -1 19 8 -1 20 9 -1 10 17 2 21 10 -2 11 12 1 11 17 1 12 19 1 13 14 1 13 20 1 14 23 1 15 17 1 15 22 1 16 18 1 16 24 1 18 21 1 19 22 1 20 24 1 21 25 1 23 25 1 24 25 1', '25 27 H 18.04 -11.98 C 11.17 -11.94 C 12.22 -11.01 C 18.29 -12.78 C 18.04 -8.20 O 14.45 -10.34 O 20.25 -12.75 Br 10.69 -14.02 Br 19.25 -7.51 C 16.24 -12.86 C 14.41 -14.52 C 13.02 -14.81 C 20.49 -9.62 C 20.49 -11.05 C 13.90 -12.09 C 16.68 -9.19 C 14.86 -13.15 C 15.85 -10.34 C 12.06 -13.74 C 19.26 -8.91 C 16.68 -11.50 C 12.50 -12.38 C 19.26 -11.77 C 18.04 -9.62 C 18.04 -11.05 25 1 -2 22 2 -2 22 3 -1 23 4 -2 24 5 -1 18 6 -1 23 7 -1 19 8 -1 20 9 -1 10 17 2 21 10 -2 11 12 1 11 17 1 12 19 1 13 14 1 13 20 1 14 23 1 15 17 1 15 22 1 16 18 1 16 24 1 18 21 1 19 22 1 20 24 1 21 25 1 23 25 1 24 25 1', '25 27 H 18.04 -11.98 C:30 11.17 -11.94 C:23 12.22 -11.01 C:31 18.29 -12.78 C:18 18.04 -8.20 O 14.45 -10.34 O 20.25 -12.75 Br 10.69 -14.02 Br 19.25 -7.51 C:129 16.24 -12.86 C:34 14.41 -14.52 C:28 13.02 -14.81 C:31 20.49 -9.62 C:43 20.49 -11.05 C:49 13.90 -12.09 C:51 16.68 -9.19 C:135 14.86 -13.15 C:78 15.85 -10.34 C:65 12.06 -13.74 C:66 19.26 -8.91 C:47 16.68 -11.50 C:38 12.50 -12.38 C:72 19.26 -11.77 C:47 18.04 -9.62 C:60 18.04 -11.05 25 1 -2 22 2 -2 22 3 -1 23 4 -2 24 5 -1 18 6 -1 23 7 -1 19 8 -1 20 9 -1 10 17 2 21 10 -2 11 12 1 11 17 1 12 19 1 13 14 1 13 20 1 14 23 1 15 17 1 15 22 1 16 18 1 16 24 1 18 21 1 19 22 1 20 24 1 21 25 1 23 25 1 24 25 1', 'C20H32Br2O2', 464.029, 'C', 'joc78_4401_2', 913, '', '', '1', 1, NULL, NULL),
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(6891, 'Ginkolide C', '', 'Terpenoids', 'Diterpenoids', 'Ginkgolanes', '[H][C@@:2]16O[C:15](=O)[C@@H:14]([CH3:16])[C@:3]1(O)[C@@:4]34O[C@@H:12]2O[C:11](=O)[C@H:10](O)[C@:9]25[C@H:8]([C:17]([CH3:18])([CH3:19])[CH3:20])[C@@H:7](O)[C@@H:6](O[C:13]3=O)[C@@:5]45[C@@H:1]6O', '[H][C@@]16OC(=O)[C@@H](C)[C@]1(O)[C@@]34O[C@@H]2OC(=O)[C@H](O)[C@]25[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC3=O)[C@@]45[C@@H]6O', '[H][C@@:92]16O[C:176](=O)[C@@H:42]([CH3:8])[C@:83]1(O)[C@@:98]34O[C@@H:110]2O[C:174](=O)[C@H:69](O)[C@:64]25[C@H:49]([C:9999]([CH3:29])([CH3:29])[CH3:29])[C@@H:74](O)[C@@H:79](O[C:171]3=O)[C@@:66]45[C@@H:74]6O', '32 37 H 13.79 -9.60 C:16 12.05 -13.67 C:18 20.84 -11.92 C:19 20.14 -10.72 C:20 20.14 -13.12 O 19.44 -7.92 O 10.28 -11.22 O 13.36 -14.23 O 16.46 -8.44 O 17.70 -14.38 O 15.55 -8.78 O 13.79 -13.14 O 19.45 -10.41 O 16.28 -13.97 O 12.48 -10.11 O 17.16 -11.73 C:11 18.81 -9.19 C:15 11.66 -11.22 C:13 14.63 -13.65 C:14 12.48 -12.35 C:10 17.45 -9.42 C:7 17.25 -13.04 C:12 18.50 -11.41 C:1 15.11 -10.11 C:6 15.92 -12.62 C:8 18.06 -11.92 C:17 19.44 -11.92 C:2 13.79 -10.54 C:3 13.79 -11.92 C:4 15.11 -12.35 C:9 17.25 -10.80 C:5 15.92 -11.22 28 1 -2 20 2 -2 3 27 1 4 27 1 5 27 1 6 17 2 7 18 2 8 19 2 21 9 -1 22 10 -1 24 11 -1 29 12 -2 13 17 1 23 13 -1 14 19 1 25 14 -1 15 18 1 15 28 1 16 23 1 16 30 1 17 21 1 18 20 1 30 19 -2 20 29 1 31 21 -1 22 25 1 22 26 1 23 31 1 24 28 1 24 32 1 32 25 -2 26 27 -2 26 31 1 28 29 1 29 30 1 30 32 1 31 32 1', '32 37 H 13.79 -9.60 C 12.05 -13.67 C 20.84 -11.92 C 20.14 -10.72 C 20.14 -13.12 O 19.44 -7.92 O 10.28 -11.22 O 13.36 -14.23 O 16.46 -8.44 O 17.70 -14.38 O 15.55 -8.78 O 13.79 -13.14 O 19.45 -10.41 O 16.28 -13.97 O 12.48 -10.11 O 17.16 -11.73 C 18.81 -9.19 C 11.66 -11.22 C 14.63 -13.65 C 12.48 -12.35 C 17.45 -9.42 C 17.25 -13.04 C 18.50 -11.41 C 15.11 -10.11 C 15.92 -12.62 C 18.06 -11.92 C 19.44 -11.92 C 13.79 -10.54 C 13.79 -11.92 C 15.11 -12.35 C 17.25 -10.80 C 15.92 -11.22 28 1 -2 20 2 -2 3 27 1 4 27 1 5 27 1 6 17 2 7 18 2 8 19 2 21 9 -1 22 10 -1 24 11 -1 29 12 -2 13 17 1 23 13 -1 14 19 1 25 14 -1 15 18 1 15 28 1 16 23 1 16 30 1 17 21 1 18 20 1 30 19 -2 20 29 1 31 21 -1 22 25 1 22 26 1 23 31 1 24 28 1 24 32 1 32 25 -2 26 27 -2 26 31 1 28 29 1 29 30 1 30 32 1 31 32 1', '32 37 H 13.79 -9.60 C:8 12.05 -13.67 C:29 20.84 -11.92 C:29 20.14 -10.72 C:29 20.14 -13.12 O 19.44 -7.92 O 10.28 -11.22 O 13.36 -14.23 O 16.46 -8.44 O 17.70 -14.38 O 15.55 -8.78 O 13.79 -13.14 O 19.45 -10.41 O 16.28 -13.97 O 12.48 -10.11 O 17.16 -11.73 C:174 18.81 -9.19 C:176 11.66 -11.22 C:171 14.63 -13.65 C:42 12.48 -12.35 C:69 17.45 -9.42 C:74 17.25 -13.04 C:110 18.50 -11.41 C:74 15.11 -10.11 C:79 15.92 -12.62 C:49 18.06 -11.92 C 19.44 -11.92 C:92 13.79 -10.54 C:83 13.79 -11.92 C:98 15.11 -12.35 C:64 17.25 -10.80 C:66 15.92 -11.22 28 1 -2 20 2 -2 3 27 1 4 27 1 5 27 1 6 17 2 7 18 2 8 19 2 21 9 -1 22 10 -1 24 11 -1 29 12 -2 13 17 1 23 13 -1 14 19 1 25 14 -1 15 18 1 15 28 1 16 23 1 16 30 1 17 21 1 18 20 1 30 19 -2 20 29 1 31 21 -1 22 25 1 22 26 1 23 31 1 24 28 1 24 32 1 32 25 -2 26 27 -2 26 31 1 28 29 1 29 30 1 30 32 1 31 32 1', 'C20H24O11', 440.215, 'D', 'tt89_1975_4', 1931, '', '', '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
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-12.18 C 20.11 -9.35 C 11.20 -13.52 C 12.62 -9.43 C 16.58 -9.46 C 13.43 -10.55 C 19.34 -7.28 C 15.61 -7.64 C 15.61 -11.23 C 20.47 -8.03 C 18.74 -9.42 C 14.72 -10.15 C 18.25 -8.09 C 17.03 -7.40 C 14.72 -8.73 C 17.03 -11.50 50 1 -1 51 2 -2 52 3 -2 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -1 49 9 -2 49 10 -1 53 11 -2 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 44 19 -1 54 20 -1 21 22 1 21 23 2 22 24 2 23 25 1 24 42 1 25 42 2 26 29 1 26 39 1 27 43 1 27 54 1 28 50 1 28 55 1 29 35 1 30 36 1 46 30 -2 31 37 1 47 31 -2 32 40 1 32 45 1 33 39 1 48 33 -2 34 38 1 55 34 -2 40 42 1 41 49 1 41 50 1 43 45 1 44 53 1 44 55 1 45 51 1 46 49 1 46 52 1 47 53 1 47 54 1 48 51 1 48 55 1 50 52 1 51 54 1 52 53 1', '55 59 H 19.20 -10.23 H 14.72 -11.07 H 18.40 -7.18 C:20 15.35 -18.52 C:21 20.50 -3.75 C:21 15.54 -3.93 C:21 19.61 -14.23 C:14 11.18 -9.42 C:25 21.78 -8.62 C:27 21.06 -6.73 C:18 17.42 -6.00 O 13.30 -17.23 O 21.73 -5.82 O 17.41 -5.47 O 19.87 -11.81 O 16.94 -13.72 O 10.67 -11.15 O 20.99 -10.49 O 15.37 -9.43 O 14.42 -7.33 C:134 10.35 -16.19 C:129 11.71 -15.89 C:129 9.40 -15.15 C:129 12.14 -14.56 C:129 9.83 -13.82 C:61 14.79 -14.86 C:50 13.43 -8.34 C:31 18.25 -10.78 O 15.44 -16.09 O 19.30 -5.88 O 15.13 -6.32 O 13.00 -11.88 O 14.87 -12.42 O 17.63 -12.79 C:170 14.70 -17.28 C:170 20.50 -5.15 C:169 16.02 -5.24 C:170 19.03 -12.94 C:171 15.53 -13.67 C:166 11.62 -12.18 C:214 20.11 -9.35 C:129 11.20 -13.52 C:37 12.62 -9.43 C:71 16.58 -9.46 C:81 13.43 -10.55 C:77 19.34 -7.28 C:75 15.61 -7.64 C:69 15.61 -11.23 C:46 20.47 -8.03 C:46 18.74 -9.42 C:48 14.72 -10.15 C:45 18.25 -8.09 C:50 17.03 -7.40 C:83 14.72 -8.73 C:83 17.03 -11.50 50 1 -1 51 2 -2 52 3 -2 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -1 49 9 -2 49 10 -1 53 11 -2 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 44 19 -1 54 20 -1 21 22 1 21 23 2 22 24 2 23 25 1 24 42 1 25 42 2 26 29 1 26 39 1 27 43 1 27 54 1 28 50 1 28 55 1 29 35 1 30 36 1 46 30 -2 31 37 1 47 31 -2 32 40 1 32 45 1 33 39 1 48 33 -2 34 38 1 55 34 -2 40 42 1 41 49 1 41 50 1 43 45 1 44 53 1 44 55 1 45 51 1 46 49 1 46 52 1 47 53 1 47 54 1 48 51 1 48 55 1 50 52 1 51 54 1 52 53 1', 'C37H46O15', 730.411, 'C', 'tt97_3215_2', 1693, 'Tiene un axetato mas en OH interior', '167.3', '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
(6902, '', 'Methyl 17-hydroxy-16-oxobeyeran-18-oate', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][C:16](=O)[C@:13]([CH2:17]O)([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[C:18](=O)O[CH3:18001])[CH2:14]4', '[H][C@@]23CC[C@]14CC(=O)[C@](CO)(CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C(=O)OC)C4', '[H][C@@:57]23[CH2:22][CH2:41][C@:40]14[CH2:49][C:223](=O)[C@:54]([CH2:65]O)([CH2:32][CH2:19][C@:55]1([H])[C@@:38]2([CH3:13])[CH2:40][CH2:20][CH2:38][C@@:44]3([CH3:29])[C:178](=O)O[CH3:51])[CH2:49]4', '27 30 H 13.73 -13.43 H 14.95 -11.31 C:18001 15.77 -14.89 C:19 11.45 -14.10 C:20 13.71 -9.62 O 19.90 -9.60 O 13.04 -15.53 O 18.59 -6.81 C:2 11.27 -11.03 C:17 17.39 -7.51 C:3 11.27 -12.41 C:1 12.48 -10.32 C:11 14.95 -8.90 C:6 14.95 -13.15 C:12 16.17 -8.19 C:7 16.17 -12.41 C:15 17.74 -11.33 C:14 17.39 -10.32 O 14.81 -13.87 C:16 18.53 -9.90 C:18 13.45 -14.19 C:5 13.71 -12.41 C:9 14.95 -10.32 C:4 12.48 -13.15 C:10 13.71 -11.03 C:13 17.39 -8.90 C:8 16.17 -11.03 22 1 -2 23 2 -2 3 19 1 24 4 -1 25 5 -1 6 20 2 7 21 2 8 10 1 9 11 1 9 12 1 26 10 -2 11 24 1 12 25 1 13 15 1 13 23 1 14 16 1 14 22 1 15 26 1 16 27 1 17 20 1 27 17 -1 18 26 1 18 27 1 19 21 1 26 20 -1 24 21 -2 22 24 1 22 25 1 23 25 1 23 27 1', '27 30 H 13.73 -13.43 H 14.95 -11.31 C 15.77 -14.89 C 11.45 -14.10 C 13.71 -9.62 O 19.90 -9.60 O 13.04 -15.53 O 18.59 -6.81 C 11.27 -11.03 C 17.39 -7.51 C 11.27 -12.41 C 12.48 -10.32 C 14.95 -8.90 C 14.95 -13.15 C 16.17 -8.19 C 16.17 -12.41 C 17.74 -11.33 C 17.39 -10.32 O 14.81 -13.87 C 18.53 -9.90 C 13.45 -14.19 C 13.71 -12.41 C 14.95 -10.32 C 12.48 -13.15 C 13.71 -11.03 C 17.39 -8.90 C 16.17 -11.03 22 1 -2 23 2 -2 3 19 1 24 4 -1 25 5 -1 6 20 2 7 21 2 8 10 1 9 11 1 9 12 1 26 10 -2 11 24 1 12 25 1 13 15 1 13 23 1 14 16 1 14 22 1 15 26 1 16 27 1 17 20 1 27 17 -1 18 26 1 18 27 1 19 21 1 26 20 -1 24 21 -2 22 24 1 22 25 1 23 25 1 23 27 1', '27 30 H 13.73 -13.43 H 14.95 -11.31 C:51 15.77 -14.89 C:29 11.45 -14.10 C:13 13.71 -9.62 O 19.90 -9.60 O 13.04 -15.53 O 18.59 -6.81 C:20 11.27 -11.03 C:65 17.39 -7.51 C:38 11.27 -12.41 C:40 12.48 -10.32 C:19 14.95 -8.90 C:22 14.95 -13.15 C:32 16.17 -8.19 C:41 16.17 -12.41 C:49 17.74 -11.33 C:49 17.39 -10.32 O 14.81 -13.87 C:223 18.53 -9.90 C:178 13.45 -14.19 C:57 13.71 -12.41 C:55 14.95 -10.32 C:44 12.48 -13.15 C:38 13.71 -11.03 C:54 17.39 -8.90 C:40 16.17 -11.03 22 1 -2 23 2 -2 3 19 1 24 4 -1 25 5 -1 6 20 2 7 21 2 8 10 1 9 11 1 9 12 1 26 10 -2 11 24 1 12 25 1 13 15 1 13 23 1 14 16 1 14 22 1 15 26 1 16 27 1 17 20 1 27 17 -1 18 26 1 18 27 1 19 21 1 26 20 -1 24 21 -2 22 24 1 22 25 1 23 25 1 23 27 1', 'C21H32O4', 348.238, 'C', 'ph60_777_1', 108, '', '', '1', 1, NULL, NULL),
(6903, 'Ceriopsin B', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][CH:16](O)[C@:13]([CH2:17]O)([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[C:18](=O)O[CH3:18001])[CH2:14]4', '[H][C@@]23CC[C@]14CC(O)[C@](CO)(CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C(=O)OC)C4', '[H][C@@:57]23[CH2:22][CH2:42][C@:43]14[CH2:44][CH:75](O)[C@:48]([CH2:68]O)([CH2:30][CH2:21][C@:57]1([H])[C@@:39]2([CH3:13])[CH2:40][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:178](=O)O[CH3:51])[CH2:51]4', '27 30 H 13.68 -13.38 H 14.90 -11.26 C:18001 15.72 -14.84 C:19 11.40 -14.05 C:20 13.66 -9.57 O 12.99 -15.48 O 18.54 -6.76 O 19.86 -9.47 C:2 11.22 -10.98 C:17 17.34 -7.46 C:3 11.22 -12.36 C:1 12.43 -10.27 C:11 14.90 -8.85 C:6 14.90 -13.10 C:12 16.12 -8.14 C:7 16.12 -12.36 C:15 17.69 -11.28 C:14 17.34 -10.27 O 14.76 -13.82 C:18 13.40 -14.14 C:16 18.48 -9.85 C:5 13.66 -12.36 C:9 14.90 -10.27 C:4 12.43 -13.10 C:10 13.66 -10.98 C:13 17.34 -8.85 C:8 16.12 -10.98 22 1 -2 23 2 -2 3 19 1 24 4 -1 25 5 -1 6 20 2 7 10 1 8 21 1 9 11 1 9 12 1 26 10 -2 11 24 1 12 25 1 13 15 1 13 23 1 14 16 1 14 22 1 15 26 1 16 27 1 17 21 1 27 17 -1 18 26 1 18 27 1 19 20 1 24 20 -2 26 21 -1 22 24 1 22 25 1 23 25 1 23 27 1', '27 30 H 13.68 -13.38 H 14.90 -11.26 C 15.72 -14.84 C 11.40 -14.05 C 13.66 -9.57 O 12.99 -15.48 O 18.54 -6.76 O 19.86 -9.47 C 11.22 -10.98 C 17.34 -7.46 C 11.22 -12.36 C 12.43 -10.27 C 14.90 -8.85 C 14.90 -13.10 C 16.12 -8.14 C 16.12 -12.36 C 17.69 -11.28 C 17.34 -10.27 O 14.76 -13.82 C 13.40 -14.14 C 18.48 -9.85 C 13.66 -12.36 C 14.90 -10.27 C 12.43 -13.10 C 13.66 -10.98 C 17.34 -8.85 C 16.12 -10.98 22 1 -2 23 2 -2 3 19 1 24 4 -1 25 5 -1 6 20 2 7 10 1 8 21 1 9 11 1 9 12 1 26 10 -2 11 24 1 12 25 1 13 15 1 13 23 1 14 16 1 14 22 1 15 26 1 16 27 1 17 21 1 27 17 -1 18 26 1 18 27 1 19 20 1 24 20 -2 26 21 -1 22 24 1 22 25 1 23 25 1 23 27 1', '27 30 H 13.68 -13.38 H 14.90 -11.26 C:51 15.72 -14.84 C:29 11.40 -14.05 C:13 13.66 -9.57 O 12.99 -15.48 O 18.54 -6.76 O 19.86 -9.47 C:19 11.22 -10.98 C:68 17.34 -7.46 C:38 11.22 -12.36 C:40 12.43 -10.27 C:21 14.90 -8.85 C:22 14.90 -13.10 C:30 16.12 -8.14 C:42 16.12 -12.36 C:44 17.69 -11.28 C:51 17.34 -10.27 O 14.76 -13.82 C:178 13.40 -14.14 C:75 18.48 -9.85 C:57 13.66 -12.36 C:57 14.90 -10.27 C:44 12.43 -13.10 C:39 13.66 -10.98 C:48 17.34 -8.85 C:43 16.12 -10.98 22 1 -2 23 2 -2 3 19 1 24 4 -1 25 5 -1 6 20 2 7 10 1 8 21 1 9 11 1 9 12 1 26 10 -2 11 24 1 12 25 1 13 15 1 13 23 1 14 16 1 14 22 1 15 26 1 16 27 1 17 21 1 27 17 -1 18 26 1 18 27 1 19 20 1 24 20 -2 26 21 -1 22 24 1 22 25 1 23 25 1 23 27 1', 'C21H34O4', 350.238, 'P', 'ph60_777_2', 108, '', '', '1', 1, NULL, NULL),
(6904, 'Ceriopsin C', '1beta,15(S)-Isopimar-7-ene-1,15,16-triol', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([C@@H:15](O)[CH2:16]O)[CH2:14][C:8]1=[CH:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][C@@H:1](O)[C@:10]23[CH3:20]', '[H][C@]12CC[C@](C)([C@@H](O)CO)CC1=CC[C@@]3([H])[C@](C)(C)CC[C@@H](O)[C@]23C', '[H][C@:52]12[CH2:24][CH2:36][C@:36]([CH3:23])([C@@H:73](O)[CH2:62]O)[CH2:46][C:136]1=[CH:122][CH2:23][C@@:50]3([H])[C@:33]([CH3:22])([CH3:33])[CH2:40][CH2:30][C@@H:82](O)[C@:41]23[CH3:9]', '25 27 H 14.35 -11.45 H 13.09 -13.58 C:19 10.79 -14.31 C:18 12.80 -14.40 C:17 17.68 -7.84 C:20 13.09 -9.74 O 20.59 -8.71 O 18.60 -10.71 O 11.80 -9.08 C:7 15.60 -12.63 C:16 19.25 -8.36 C:6 14.35 -13.35 C:2 10.59 -11.20 C:3 10.59 -12.63 C:11 14.35 -9.02 C:12 15.60 -8.30 C:14 16.84 -10.47 C:8 15.60 -11.20 C:15 18.23 -9.37 C:1 11.83 -10.47 C:4 11.83 -13.35 C:9 14.35 -10.47 C:13 16.84 -9.02 C:5 13.09 -12.63 C:10 13.09 -11.20 22 1 -2 24 2 -2 21 3 -1 21 4 -2 23 5 -1 25 6 -1 7 11 1 19 8 -2 20 9 -1 10 12 1 10 18 2 11 19 1 12 24 1 13 14 1 13 20 1 14 21 1 15 16 1 15 22 1 16 23 1 17 18 1 17 23 1 18 22 1 19 23 1 20 25 1 21 24 1 22 25 1 24 25 1', '25 27 H 14.35 -11.45 H 13.09 -13.58 C 10.79 -14.31 C 12.80 -14.40 C 17.68 -7.84 C 13.09 -9.74 O 20.59 -8.71 O 18.60 -10.71 O 11.80 -9.08 C 15.60 -12.63 C 19.25 -8.36 C 14.35 -13.35 C 10.59 -11.20 C 10.59 -12.63 C 14.35 -9.02 C 15.60 -8.30 C 16.84 -10.47 C 15.60 -11.20 C 18.23 -9.37 C 11.83 -10.47 C 11.83 -13.35 C 14.35 -10.47 C 16.84 -9.02 C 13.09 -12.63 C 13.09 -11.20 22 1 -2 24 2 -2 21 3 -1 21 4 -2 23 5 -1 25 6 -1 7 11 1 19 8 -2 20 9 -1 10 12 1 10 18 2 11 19 1 12 24 1 13 14 1 13 20 1 14 21 1 15 16 1 15 22 1 16 23 1 17 18 1 17 23 1 18 22 1 19 23 1 20 25 1 21 24 1 22 25 1 24 25 1', '25 27 H 14.35 -11.45 H 13.09 -13.58 C:22 10.79 -14.31 C:33 12.80 -14.40 C:23 17.68 -7.84 C:9 13.09 -9.74 O 20.59 -8.71 O 18.60 -10.71 O 11.80 -9.08 C:122 15.60 -12.63 C:62 19.25 -8.36 C:23 14.35 -13.35 C:30 10.59 -11.20 C:40 10.59 -12.63 C:24 14.35 -9.02 C:36 15.60 -8.30 C:46 16.84 -10.47 C:136 15.60 -11.20 C:73 18.23 -9.37 C:82 11.83 -10.47 C:33 11.83 -13.35 C:52 14.35 -10.47 C:36 16.84 -9.02 C:50 13.09 -12.63 C:41 13.09 -11.20 22 1 -2 24 2 -2 21 3 -1 21 4 -2 23 5 -1 25 6 -1 7 11 1 19 8 -2 20 9 -1 10 12 1 10 18 2 11 19 1 12 24 1 13 14 1 13 20 1 14 21 1 15 16 1 15 22 1 16 23 1 17 18 1 17 23 1 18 22 1 19 23 1 20 25 1 21 24 1 22 25 1 24 25 1', 'C20H34O3', 322.228, 'C', 'ph60_777_3', 108, '', '', '1', 1, NULL, NULL),
(6905, 'Ceriopsin D', '8,15(R)-epoxypimarane-1beta,16-diol', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@@:13]([CH3:17])([CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19])[C@@H:15]([CH2:16]O)O4', '[H][C@@]23CC[C@@]14C[C@@](C)(CC[C@]1([H])[C@@]2(C)[C@H](O)CC[C@]3(C)C)[C@@H](CO)O4', '[H][C@@:55]23[CH2:19][CH2:39][C@@:83]14[CH2:52][C@@:40]([CH3:19])([CH2:39][CH2:22][C@:54]1([H])[C@@:43]2([CH3:8])[C@H:80](O)[CH2:29][CH2:38][C@:33]3([CH3:33])[CH3:21])[C@@H:85]([CH2:64]O)O4', '25 28 H 13.09 -13.52 H 14.30 -11.47 C:18 12.82 -14.32 C:19 10.86 -14.23 C:17 17.53 -7.97 C:20 13.09 -9.81 O 20.48 -9.36 O 11.84 -9.18 C:16 19.24 -8.71 C:2 10.67 -11.23 C:3 10.67 -12.61 C:12 15.52 -8.42 C:11 14.30 -9.11 C:6 14.30 -13.30 C:7 15.52 -12.61 C:14 16.71 -10.52 O 15.52 -9.89 C:1 11.87 -10.52 C:15 18.06 -9.46 C:4 11.87 -13.30 C:13 16.71 -9.11 C:5 13.09 -12.61 C:9 14.30 -10.52 C:8 15.52 -11.23 C:10 13.09 -11.23 22 1 -2 23 2 -2 20 3 -2 20 4 -1 21 5 -2 25 6 -1 7 9 1 18 8 -1 19 9 -1 10 11 1 10 18 1 11 20 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 24 1 16 21 1 16 24 1 17 19 1 24 17 -1 18 25 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 28 H 13.09 -13.52 H 14.30 -11.47 C 12.82 -14.32 C 10.86 -14.23 C 17.53 -7.97 C 13.09 -9.81 O 20.48 -9.36 O 11.84 -9.18 C 19.24 -8.71 C 10.67 -11.23 C 10.67 -12.61 C 15.52 -8.42 C 14.30 -9.11 C 14.30 -13.30 C 15.52 -12.61 C 16.71 -10.52 O 15.52 -9.89 C 11.87 -10.52 C 18.06 -9.46 C 11.87 -13.30 C 16.71 -9.11 C 13.09 -12.61 C 14.30 -10.52 C 15.52 -11.23 C 13.09 -11.23 22 1 -2 23 2 -2 20 3 -2 20 4 -1 21 5 -2 25 6 -1 7 9 1 18 8 -1 19 9 -1 10 11 1 10 18 1 11 20 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 24 1 16 21 1 16 24 1 17 19 1 24 17 -1 18 25 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 28 H 13.09 -13.52 H 14.30 -11.47 C:33 12.82 -14.32 C:21 10.86 -14.23 C:19 17.53 -7.97 C:8 13.09 -9.81 O 20.48 -9.36 O 11.84 -9.18 C:64 19.24 -8.71 C:29 10.67 -11.23 C:38 10.67 -12.61 C:39 15.52 -8.42 C:22 14.30 -9.11 C:19 14.30 -13.30 C:39 15.52 -12.61 C:52 16.71 -10.52 O 15.52 -9.89 C:80 11.87 -10.52 C:85 18.06 -9.46 C:33 11.87 -13.30 C:40 16.71 -9.11 C:55 13.09 -12.61 C:54 14.30 -10.52 C:83 15.52 -11.23 C:43 13.09 -11.23 22 1 -2 23 2 -2 20 3 -2 20 4 -1 21 5 -2 25 6 -1 7 9 1 18 8 -1 19 9 -1 10 11 1 10 18 1 11 20 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 24 1 16 21 1 16 24 1 17 19 1 24 17 -1 18 25 1 19 21 1 20 22 1 22 25 1 23 24 1 23 25 1', 'C20H34O3', 322.228, 'C', 'ph60_777_4', 108, '', '', '1', 1, NULL, NULL),
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(6919, 'Stachenol ', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][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])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)CC[C@H](O)[C@]3(C)C)C4', '[H][C@:55]23[CH2:20][CH2:37][C@@:49]14[CH:137]=[CH:135][C@@:44]([CH3:25])([CH2:33][CH2:20][C@@:53]1([H])[C@:37]2([CH3:15])[CH2:37][CH2:21][C@H:79](O)[C@:39]3([CH3:16])[CH3:28])[CH2:61]4', '23 26 H 15.01 -13.72 H 16.23 -11.59 C:19 12.75 -14.39 C:18 14.73 -14.48 C:17 18.67 -7.77 C:20 14.99 -9.90 O 11.33 -13.35 C:16 19.82 -10.18 C:15 19.02 -11.61 C:2 12.56 -11.31 C:12 17.45 -8.47 C:11 16.23 -9.18 C:6 16.23 -13.44 C:1 13.76 -10.60 C:7 17.45 -12.70 C:14 18.67 -10.60 C:3 12.56 -12.70 C:4 13.76 -13.44 C:13 18.67 -9.18 C:5 14.99 -12.70 C:9 16.23 -10.60 C:10 14.99 -11.31 C:8 17.45 -11.31 20 1 -1 21 2 -1 18 3 -2 18 4 -1 19 5 -1 22 6 -2 17 7 -1 8 9 2 19 8 -2 23 9 -2 10 14 1 10 17 1 11 12 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 23 1 17 18 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 15.01 -13.72 H 16.23 -11.59 C 12.75 -14.39 C 14.73 -14.48 C 18.67 -7.77 C 14.99 -9.90 O 11.33 -13.35 C 19.82 -10.18 C 19.02 -11.61 C 12.56 -11.31 C 17.45 -8.47 C 16.23 -9.18 C 16.23 -13.44 C 13.76 -10.60 C 17.45 -12.70 C 18.67 -10.60 C 12.56 -12.70 C 13.76 -13.44 C 18.67 -9.18 C 14.99 -12.70 C 16.23 -10.60 C 14.99 -11.31 C 17.45 -11.31 20 1 -1 21 2 -1 18 3 -2 18 4 -1 19 5 -1 22 6 -2 17 7 -1 8 9 2 19 8 -2 23 9 -2 10 14 1 10 17 1 11 12 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 23 1 17 18 1 18 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 15.01 -13.72 H 16.23 -11.59 C:16 12.75 -14.39 C:28 14.73 -14.48 C:25 18.67 -7.77 C:15 14.99 -9.90 O 11.33 -13.35 C:135 19.82 -10.18 C:137 19.02 -11.61 C:21 12.56 -11.31 C:33 17.45 -8.47 C:20 16.23 -9.18 C:20 16.23 -13.44 C:37 13.76 -10.60 C:37 17.45 -12.70 C:61 18.67 -10.60 C:79 12.56 -12.70 C:39 13.76 -13.44 C:44 18.67 -9.18 C:55 14.99 -12.70 C:53 16.23 -10.60 C:37 14.99 -11.31 C:49 17.45 -11.31 20 1 -1 21 2 -1 18 3 -2 18 4 -1 19 5 -1 22 6 -2 17 7 -1 8 9 2 19 8 -2 23 9 -2 10 14 1 10 17 1 11 12 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 23 1 17 18 1 18 20 1 20 22 1 21 22 1 21 23 1', 'C20H32O', 288.229, 'C', 'ph45_1217', 1585, '', '', '1', 1, NULL, NULL),
(6920, 'Acetylstachenol', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)CC[C@H](OC(C)=O)[C@@]3(C)C)C4', '[H][C@:55]23[CH2:21][CH2:37][C@@:49]14[CH:137]=[CH:135][C@@:43]([CH3:25])([CH2:33][CH2:20][C@@:56]1([H])[C@:37]2([CH3:15])[CH2:37][CH2:24][C@H:81](O[C:20]([CH3:171])=O)[C@@:38]3([CH3:28])[CH3:17])[CH2:61]4', '26 29 H 16.21 -13.74 H 17.43 -11.61 C:3002 10.14 -13.47 C:17 19.87 -7.78 C:18 15.93 -14.50 C:19 13.95 -14.41 C:20 16.19 -9.92 O 11.30 -11.32 C:16 21.02 -10.20 C:15 20.22 -11.63 C:2 13.76 -11.33 C:1 14.96 -10.62 C:12 18.65 -8.48 C:11 17.43 -9.19 C:6 17.43 -13.46 C:7 18.65 -12.72 C:14 19.87 -10.62 O 12.52 -13.37 C:3001 11.32 -12.72 C:3 13.76 -12.72 C:13 19.87 -9.19 C:4 14.96 -13.46 C:5 16.19 -12.72 C:9 17.43 -10.62 C:10 16.19 -11.33 C:8 18.65 -11.33 23 1 -1 24 2 -1 3 19 1 21 4 -1 22 5 -1 22 6 -2 25 7 -2 8 19 2 9 10 2 21 9 -2 26 10 -2 11 12 1 11 20 1 12 25 1 13 14 1 13 21 1 14 24 1 15 16 1 15 23 1 16 26 1 17 21 1 17 26 1 18 19 1 20 18 -1 20 22 1 22 23 1 23 25 1 24 25 1 24 26 1', '26 29 H 16.21 -13.74 H 17.43 -11.61 C 10.14 -13.47 C 19.87 -7.78 C 15.93 -14.50 C 13.95 -14.41 C 16.19 -9.92 O 11.30 -11.32 C 21.02 -10.20 C 20.22 -11.63 C 13.76 -11.33 C 14.96 -10.62 C 18.65 -8.48 C 17.43 -9.19 C 17.43 -13.46 C 18.65 -12.72 C 19.87 -10.62 O 12.52 -13.37 C 11.32 -12.72 C 13.76 -12.72 C 19.87 -9.19 C 14.96 -13.46 C 16.19 -12.72 C 17.43 -10.62 C 16.19 -11.33 C 18.65 -11.33 23 1 -1 24 2 -1 3 19 1 21 4 -1 22 5 -1 22 6 -2 25 7 -2 8 19 2 9 10 2 21 9 -2 26 10 -2 11 12 1 11 20 1 12 25 1 13 14 1 13 21 1 14 24 1 15 16 1 15 23 1 16 26 1 17 21 1 17 26 1 18 19 1 20 18 -1 20 22 1 22 23 1 23 25 1 24 25 1 24 26 1', '26 29 H 16.21 -13.74 H 17.43 -11.61 C:171 10.14 -13.47 C:25 19.87 -7.78 C:28 15.93 -14.50 C:17 13.95 -14.41 C:15 16.19 -9.92 O 11.30 -11.32 C:135 21.02 -10.20 C:137 20.22 -11.63 C:24 13.76 -11.33 C:37 14.96 -10.62 C:33 18.65 -8.48 C:20 17.43 -9.19 C:21 17.43 -13.46 C:37 18.65 -12.72 C:61 19.87 -10.62 O 12.52 -13.37 C:20 11.32 -12.72 C:81 13.76 -12.72 C:43 19.87 -9.19 C:38 14.96 -13.46 C:55 16.19 -12.72 C:56 17.43 -10.62 C:37 16.19 -11.33 C:49 18.65 -11.33 23 1 -1 24 2 -1 3 19 1 21 4 -1 22 5 -1 22 6 -2 25 7 -2 8 19 2 9 10 2 21 9 -2 26 10 -2 11 12 1 11 20 1 12 25 1 13 14 1 13 21 1 14 24 1 15 16 1 15 23 1 16 26 1 17 21 1 17 26 1 18 19 1 20 18 -1 20 22 1 22 23 1 23 25 1 24 25 1 24 26 1', 'C22H34O2', 330.25, 'C', 'ph45_1217', 1585, '', '', '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
(6921, '', 'ent-2,3-Seco-beyer-15-ene-2,3-dioic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]2([C@@:4]([CH3:19])([CH3:18])[C:3](=O)O)[CH2:6][CH2:7][C@@:8]13[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C:2](=O)O)[CH2:14]3', '[H][C@]2([C@@](C)(C)C(=O)O)CC[C@@]13C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)CC(=O)O)C3', '[H][C@:45]2([C@@:40]([CH3:22])([CH3:30])[C:188](=O)O)[CH2:20][CH2:37][C@@:49]13[CH:137]=[CH:135][C@@:44]([CH3:25])([CH2:33][CH2:21][C@@:49]1([H])[C@:41]2([CH3:20])[CH2:46][C:179](=O)O)[CH2:61]3', '26 28 H 14.98 -13.74 H 16.20 -11.62 C:19 12.72 -14.41 C:18 14.70 -14.50 C:17 18.64 -7.79 C:20 14.96 -9.92 O 14.98 -8.56 O 12.53 -11.33 O 12.54 -8.53 O 11.31 -13.43 C:16 19.79 -10.20 C:15 18.99 -11.64 C:12 17.42 -8.49 C:11 16.20 -9.20 C:6 16.20 -13.46 C:7 17.42 -12.72 C:1 13.73 -10.62 C:14 18.64 -10.62 C:2 13.75 -9.24 C:3 12.53 -12.72 C:4 13.73 -13.46 C:13 18.64 -9.20 C:5 14.96 -12.72 C:9 16.20 -10.62 C:10 14.96 -11.33 C:8 17.42 -11.33 23 1 -1 24 2 -1 21 3 -2 21 4 -1 22 5 -1 25 6 -2 7 19 2 8 20 2 9 19 1 10 20 1 11 12 2 22 11 -2 26 12 -2 13 14 1 13 22 1 14 24 1 15 16 1 15 23 1 16 26 1 17 19 1 17 25 1 18 22 1 18 26 1 20 21 1 21 23 1 23 25 1 24 25 1 24 26 1', '26 28 H 14.98 -13.74 H 16.20 -11.62 C 12.72 -14.41 C 14.70 -14.50 C 18.64 -7.79 C 14.96 -9.92 O 14.98 -8.56 O 12.53 -11.33 O 12.54 -8.53 O 11.31 -13.43 C 19.79 -10.20 C 18.99 -11.64 C 17.42 -8.49 C 16.20 -9.20 C 16.20 -13.46 C 17.42 -12.72 C 13.73 -10.62 C 18.64 -10.62 C 13.75 -9.24 C 12.53 -12.72 C 13.73 -13.46 C 18.64 -9.20 C 14.96 -12.72 C 16.20 -10.62 C 14.96 -11.33 C 17.42 -11.33 23 1 -1 24 2 -1 21 3 -2 21 4 -1 22 5 -1 25 6 -2 7 19 2 8 20 2 9 19 1 10 20 1 11 12 2 22 11 -2 26 12 -2 13 14 1 13 22 1 14 24 1 15 16 1 15 23 1 16 26 1 17 19 1 17 25 1 18 22 1 18 26 1 20 21 1 21 23 1 23 25 1 24 25 1 24 26 1', '26 28 H 14.98 -13.74 H 16.20 -11.62 C:22 12.72 -14.41 C:30 14.70 -14.50 C:25 18.64 -7.79 C:20 14.96 -9.92 O 14.98 -8.56 O 12.53 -11.33 O 12.54 -8.53 O 11.31 -13.43 C:135 19.79 -10.20 C:137 18.99 -11.64 C:33 17.42 -8.49 C:21 16.20 -9.20 C:20 16.20 -13.46 C:37 17.42 -12.72 C:46 13.73 -10.62 C:61 18.64 -10.62 C:179 13.75 -9.24 C:188 12.53 -12.72 C:40 13.73 -13.46 C:44 18.64 -9.20 C:45 14.96 -12.72 C:49 16.20 -10.62 C:41 14.96 -11.33 C:49 17.42 -11.33 23 1 -1 24 2 -1 21 3 -2 21 4 -1 22 5 -1 25 6 -2 7 19 2 8 20 2 9 19 1 10 20 1 11 12 2 22 11 -2 26 12 -2 13 14 1 13 22 1 14 24 1 15 16 1 15 23 1 16 26 1 17 19 1 17 25 1 18 22 1 18 26 1 20 21 1 21 23 1 23 25 1 24 25 1 24 26 1', 'C20H30O4', 334.227, 'C', 'ph47_1653_1', 1584, '', '', '1', 1, NULL, NULL),
(6922, '', 'ent-2,3-Seco-beyer-15-ene-2,3-dioic anhydride', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C:2](=O)O[C:3](=O)[C@:4]3([CH3:19])[CH3:18])[CH2:14]4', '[H][C@]23CC[C@@]14C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)CC(=O)OC(=O)[C@]3(C)C)C4', '[H][C@:47]23[CH2:20][CH2:37][C@@:49]14[CH:138]=[CH:134][C@@:44]([CH3:25])([CH2:33][CH2:21][C@@:53]1([H])[C@:41]2([CH3:19])[CH2:46][C:177](=O)O[C:166](=O)[C@:39]3([CH3:20])[CH3:30])[CH2:60]4', '25 28 H 14.85 -13.56 H 16.06 -11.45 C:17 18.50 -7.64 C:19 13.01 -14.62 C:18 14.93 -14.46 C:20 14.83 -9.76 O 11.52 -9.51 O 11.52 -14.20 C:16 19.64 -10.04 C:15 18.85 -11.47 C:12 17.27 -8.33 C:11 16.06 -9.04 C:6 16.06 -13.28 C:7 17.27 -12.55 C:1 13.75 -10.29 C:14 18.50 -10.46 O 11.79 -11.86 C:2 12.38 -10.60 C:3 12.38 -13.11 C:13 18.50 -9.04 C:4 13.75 -13.42 C:5 14.83 -12.55 C:9 16.06 -10.46 C:10 14.83 -11.17 C:8 17.27 -11.17 22 1 -1 23 2 -1 20 3 -1 21 4 -2 21 5 -1 24 6 -2 7 18 2 8 19 2 9 10 2 20 9 -2 25 10 -2 11 12 1 11 20 1 12 23 1 13 14 1 13 22 1 14 25 1 15 18 1 15 24 1 16 20 1 16 25 1 17 18 1 17 19 1 19 21 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 14.85 -13.56 H 16.06 -11.45 C 18.50 -7.64 C 13.01 -14.62 C 14.93 -14.46 C 14.83 -9.76 O 11.52 -9.51 O 11.52 -14.20 C 19.64 -10.04 C 18.85 -11.47 C 17.27 -8.33 C 16.06 -9.04 C 16.06 -13.28 C 17.27 -12.55 C 13.75 -10.29 C 18.50 -10.46 O 11.79 -11.86 C 12.38 -10.60 C 12.38 -13.11 C 18.50 -9.04 C 13.75 -13.42 C 14.83 -12.55 C 16.06 -10.46 C 14.83 -11.17 C 17.27 -11.17 22 1 -1 23 2 -1 20 3 -1 21 4 -2 21 5 -1 24 6 -2 7 18 2 8 19 2 9 10 2 20 9 -2 25 10 -2 11 12 1 11 20 1 12 23 1 13 14 1 13 22 1 14 25 1 15 18 1 15 24 1 16 20 1 16 25 1 17 18 1 17 19 1 19 21 1 21 22 1 22 24 1 23 24 1 23 25 1', '25 28 H 14.85 -13.56 H 16.06 -11.45 C:25 18.50 -7.64 C:20 13.01 -14.62 C:30 14.93 -14.46 C:19 14.83 -9.76 O 11.52 -9.51 O 11.52 -14.20 C:134 19.64 -10.04 C:138 18.85 -11.47 C:33 17.27 -8.33 C:21 16.06 -9.04 C:20 16.06 -13.28 C:37 17.27 -12.55 C:46 13.75 -10.29 C:60 18.50 -10.46 O 11.79 -11.86 C:177 12.38 -10.60 C:166 12.38 -13.11 C:44 18.50 -9.04 C:39 13.75 -13.42 C:47 14.83 -12.55 C:53 16.06 -10.46 C:41 14.83 -11.17 C:49 17.27 -11.17 22 1 -1 23 2 -1 20 3 -1 21 4 -2 21 5 -1 24 6 -2 7 18 2 8 19 2 9 10 2 20 9 -2 25 10 -2 11 12 1 11 20 1 12 23 1 13 14 1 13 22 1 14 25 1 15 18 1 15 24 1 16 20 1 16 25 1 17 18 1 17 19 1 19 21 1 21 22 1 22 24 1 23 24 1 23 25 1', 'C20H28O3', 316.228, 'C', 'ph47_1653_1a', 1584, '', '', '1', 1, NULL, NULL),
(6923, '', 'Dimethyl ent-2,3-seco-beyer-15-ene-2,3-dioate ', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]2([C@:4]([CH3:18])([CH3:19])[C:3](=O)O[CH3:3001])[CH2:6][CH2:7][C@@:8]13[CH:15]=[CH:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C:2](=O)O[CH3:2001])[CH2:14]3', '[H][C@]2([C@](C)(C)C(=O)OC)CC[C@@]13C=C[C@@](C)(CC[C@@]1([H])[C@]2(C)CC(=O)OC)C3', '[H][C@:45]2([C@:46]([CH3:28])([CH3:24])[C:180](=O)O[CH3:9999])[CH2:21][CH2:36][C@@:49]13[CH:138]=[CH:134][C@@:44]([CH3:25])([CH2:33][CH2:22][C@@:49]1([H])[C@:42]2([CH3:19])[CH2:40][C:172](=O)O[CH3:9999])[CH2:61]3', '28 30 H 15.58 -14.07 H 16.80 -11.96 C:2001 13.15 -7.47 C:3001 10.70 -13.07 C:17 19.24 -8.12 C:18 15.30 -14.82 C:19 13.32 -14.73 C:20 15.56 -10.26 O 15.58 -8.90 O 13.13 -11.67 C:16 20.38 -10.54 C:15 19.59 -11.98 C:12 18.02 -8.82 C:11 16.80 -9.54 C:6 16.80 -13.79 C:7 18.02 -13.05 C:1 14.33 -10.96 C:14 19.24 -10.96 O 13.14 -8.87 O 11.92 -13.76 C:2 14.35 -9.58 C:3 13.13 -13.05 C:13 19.24 -9.54 C:4 14.33 -13.79 C:5 15.56 -13.05 C:9 16.80 -10.96 C:10 15.56 -11.67 C:8 18.02 -11.67 25 1 -1 26 2 -1 3 19 1 4 20 1 23 5 -1 24 6 -1 24 7 -2 27 8 -2 9 21 2 10 22 2 11 12 2 23 11 -2 28 12 -2 13 14 1 13 23 1 14 26 1 15 16 1 15 25 1 16 28 1 17 21 1 17 27 1 18 23 1 18 28 1 19 21 1 20 22 1 22 24 1 24 25 1 25 27 1 26 27 1 26 28 1', '28 30 H 15.58 -14.07 H 16.80 -11.96 C 13.15 -7.47 C 10.70 -13.07 C 19.24 -8.12 C 15.30 -14.82 C 13.32 -14.73 C 15.56 -10.26 O 15.58 -8.90 O 13.13 -11.67 C 20.38 -10.54 C 19.59 -11.98 C 18.02 -8.82 C 16.80 -9.54 C 16.80 -13.79 C 18.02 -13.05 C 14.33 -10.96 C 19.24 -10.96 O 13.14 -8.87 O 11.92 -13.76 C 14.35 -9.58 C 13.13 -13.05 C 19.24 -9.54 C 14.33 -13.79 C 15.56 -13.05 C 16.80 -10.96 C 15.56 -11.67 C 18.02 -11.67 25 1 -1 26 2 -1 3 19 1 4 20 1 23 5 -1 24 6 -1 24 7 -2 27 8 -2 9 21 2 10 22 2 11 12 2 23 11 -2 28 12 -2 13 14 1 13 23 1 14 26 1 15 16 1 15 25 1 16 28 1 17 21 1 17 27 1 18 23 1 18 28 1 19 21 1 20 22 1 22 24 1 24 25 1 25 27 1 26 27 1 26 28 1', '28 30 H 15.58 -14.07 H 16.80 -11.96 C 13.15 -7.47 C 10.70 -13.07 C:25 19.24 -8.12 C:28 15.30 -14.82 C:24 13.32 -14.73 C:19 15.56 -10.26 O 15.58 -8.90 O 13.13 -11.67 C:134 20.38 -10.54 C:138 19.59 -11.98 C:33 18.02 -8.82 C:22 16.80 -9.54 C:21 16.80 -13.79 C:36 18.02 -13.05 C:40 14.33 -10.96 C:61 19.24 -10.96 O 13.14 -8.87 O 11.92 -13.76 C:172 14.35 -9.58 C:180 13.13 -13.05 C:44 19.24 -9.54 C:46 14.33 -13.79 C:45 15.56 -13.05 C:49 16.80 -10.96 C:42 15.56 -11.67 C:49 18.02 -11.67 25 1 -1 26 2 -1 3 19 1 4 20 1 23 5 -1 24 6 -1 24 7 -2 27 8 -2 9 21 2 10 22 2 11 12 2 23 11 -2 28 12 -2 13 14 1 13 23 1 14 26 1 15 16 1 15 25 1 16 28 1 17 21 1 17 27 1 18 23 1 18 28 1 19 21 1 20 22 1 22 24 1 24 25 1 25 27 1 26 27 1 26 28 1', 'C22H34O4', 362.249, 'C', 'ph47_1653_1b', 1584, '', '', '1', 1, NULL, NULL),
(6924, '', 'ent-2,4-Seco-4-oxo-3,19-norbeyer-15-en-2-oic acid', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]3([CH3:17])[CH:16]=[CH:15][C@@:8]1([CH2:7][CH2:6][C@H:5]([C:4]([CH3:18])=O)[C@@:10]2([CH3:20])[CH2:1][C:2](=O)O)[CH2:14]3', '[H][C@@]12CC[C@]3(C)C=C[C@@]1(CC[C@H](C(C)=O)[C@@]2(C)CC(=O)O)C3', '[H][C@@:57]12[CH2:20][CH2:33][C@:44]3([CH3:25])[CH:134]=[CH:138][C@@:49]1([CH2:35][CH2:23][C@H:45]([C:216]([CH3:18])=O)[C@@:40]2([CH3:31])[CH2:43][C:174](=O)O)[CH2:61]3', '22 24 H 15.64 -11.45 C:18 13.18 -14.60 C:17 18.05 -7.65 C:20 14.40 -9.77 O 11.97 -12.58 O 14.42 -8.42 O 12.01 -8.39 C:16 19.18 -10.04 C:15 18.40 -11.47 C:6 15.64 -13.26 C:12 16.84 -8.34 C:11 15.64 -9.05 C:7 16.84 -12.52 C:1 13.18 -10.46 C:14 18.05 -10.46 C:4 13.18 -13.26 C:2 13.18 -9.09 C:5 14.40 -12.52 C:13 18.05 -9.05 C:9 15.64 -10.46 C:10 14.40 -11.16 C:8 16.84 -11.16 20 1 -1 2 16 1 19 3 -1 21 4 -2 5 16 2 6 17 2 7 17 1 8 9 2 19 8 -2 22 9 -2 10 13 1 10 18 1 11 12 1 11 19 1 12 20 1 13 22 1 14 17 1 14 21 1 15 19 1 15 22 1 18 16 -2 18 21 1 20 21 1 20 22 1', '22 24 H 15.64 -11.45 C 13.18 -14.60 C 18.05 -7.65 C 14.40 -9.77 O 11.97 -12.58 O 14.42 -8.42 O 12.01 -8.39 C 19.18 -10.04 C 18.40 -11.47 C 15.64 -13.26 C 16.84 -8.34 C 15.64 -9.05 C 16.84 -12.52 C 13.18 -10.46 C 18.05 -10.46 C 13.18 -13.26 C 13.18 -9.09 C 14.40 -12.52 C 18.05 -9.05 C 15.64 -10.46 C 14.40 -11.16 C 16.84 -11.16 20 1 -1 2 16 1 19 3 -1 21 4 -2 5 16 2 6 17 2 7 17 1 8 9 2 19 8 -2 22 9 -2 10 13 1 10 18 1 11 12 1 11 19 1 12 20 1 13 22 1 14 17 1 14 21 1 15 19 1 15 22 1 18 16 -2 18 21 1 20 21 1 20 22 1', '22 24 H 15.64 -11.45 C:18 13.18 -14.60 C:25 18.05 -7.65 C:31 14.40 -9.77 O 11.97 -12.58 O 14.42 -8.42 O 12.01 -8.39 C:134 19.18 -10.04 C:138 18.40 -11.47 C:23 15.64 -13.26 C:33 16.84 -8.34 C:20 15.64 -9.05 C:35 16.84 -12.52 C:43 13.18 -10.46 C:61 18.05 -10.46 C:216 13.18 -13.26 C:174 13.18 -9.09 C:45 14.40 -12.52 C:44 18.05 -9.05 C:57 15.64 -10.46 C:40 14.40 -11.16 C:49 16.84 -11.16 20 1 -1 2 16 1 19 3 -1 21 4 -2 5 16 2 6 17 2 7 17 1 8 9 2 19 8 -2 22 9 -2 10 13 1 10 18 1 11 12 1 11 19 1 12 20 1 13 22 1 14 17 1 14 21 1 15 19 1 15 22 1 18 16 -2 18 21 1 20 21 1 20 22 1', 'C18H26O3', 290.199, 'C', 'ph47_1653_2', 1584, '', '', '1', 1, NULL, NULL),
(6925, '', 'ent-2,4-Seco-3,19-norbeyer-4(5),15-diene-2,4-lactone ', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@:13]4([CH3:17])[CH:16]=[CH:15][C@@:8]1([CH2:7][CH2:6][C:5]2=[C:4]([CH3:18])O[C:2](=O)[CH2:1][C@:10]23[CH3:20])[CH2:14]4', '[H][C@@]13CC[C@]4(C)C=C[C@@]1(CCC2=C(C)OC(=O)C[C@]23C)C4', '[H][C@@:49]13[CH2:21][CH2:33][C@:44]4([CH3:25])[CH:132]=[CH:138][C@@:49]1([CH2:35][CH2:22][C:118]2=[C:140]([CH3:20])O[C:169](=O)[CH2:44][C@:37]23[CH3:16])[CH2:60]4', '21 24 H 16.21 -11.44 C:18 13.76 -14.60 C:17 18.63 -7.66 C:20 14.98 -9.77 O 11.36 -10.49 C:16 19.77 -10.04 C:15 18.97 -11.46 C:6 16.21 -13.26 C:12 17.42 -8.35 C:7 17.42 -12.53 C:11 16.21 -9.05 C:1 13.76 -10.46 C:14 18.63 -10.46 O 12.57 -12.53 C:4 13.76 -13.26 C:2 12.57 -11.16 C:5 14.98 -12.53 C:13 18.63 -9.05 C:9 16.21 -10.46 C:10 14.98 -11.16 C:8 17.42 -11.16 19 1 -1 2 15 1 18 3 -1 20 4 -2 5 16 2 6 7 2 18 6 -2 21 7 -2 8 10 1 8 17 1 9 11 1 9 18 1 10 21 1 11 19 1 12 16 1 12 20 1 13 18 1 13 21 1 14 15 1 14 16 1 15 17 2 17 20 1 19 20 1 19 21 1', '21 24 H 16.21 -11.44 C 13.76 -14.60 C 18.63 -7.66 C 14.98 -9.77 O 11.36 -10.49 C 19.77 -10.04 C 18.97 -11.46 C 16.21 -13.26 C 17.42 -8.35 C 17.42 -12.53 C 16.21 -9.05 C 13.76 -10.46 C 18.63 -10.46 O 12.57 -12.53 C 13.76 -13.26 C 12.57 -11.16 C 14.98 -12.53 C 18.63 -9.05 C 16.21 -10.46 C 14.98 -11.16 C 17.42 -11.16 19 1 -1 2 15 1 18 3 -1 20 4 -2 5 16 2 6 7 2 18 6 -2 21 7 -2 8 10 1 8 17 1 9 11 1 9 18 1 10 21 1 11 19 1 12 16 1 12 20 1 13 18 1 13 21 1 14 15 1 14 16 1 15 17 2 17 20 1 19 20 1 19 21 1', '21 24 H 16.21 -11.44 C:20 13.76 -14.60 C:25 18.63 -7.66 C:16 14.98 -9.77 O 11.36 -10.49 C:132 19.77 -10.04 C:138 18.97 -11.46 C:22 16.21 -13.26 C:33 17.42 -8.35 C:35 17.42 -12.53 C:21 16.21 -9.05 C:44 13.76 -10.46 C:60 18.63 -10.46 O 12.57 -12.53 C:140 13.76 -13.26 C:169 12.57 -11.16 C:118 14.98 -12.53 C:44 18.63 -9.05 C:49 16.21 -10.46 C:37 14.98 -11.16 C:49 17.42 -11.16 19 1 -1 2 15 1 18 3 -1 20 4 -2 5 16 2 6 7 2 18 6 -2 21 7 -2 8 10 1 8 17 1 9 11 1 9 18 1 10 21 1 11 19 1 12 16 1 12 20 1 13 18 1 13 21 1 14 15 1 14 16 1 15 17 2 17 20 1 19 20 1 19 21 1', 'C18H24O2', 272.199, 'C', 'ph47_1653_2a', 1584, '', '', '1', 1, NULL, NULL),
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(6936, 'Taiwaniasterol D', '', 'Steroids', 'Poliferastanes', '', '[H][C@:17]3([C@H:20]([CH3:21])[C@H:22](O)[CH2:23][C@H:24]([CH2:24001][CH3:24002])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]4([H])[C@:8]2([H])[CH2:6][C@:5]1(O)[CH2:4][C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C@@:9]2([H])[CH2:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)[C@H](O)C[C@H](CC)C(C)C)CC[C@@]4([H])[C@]2([H])C[C@]1(O)C[C@@H](O)CC[C@]1(C)[C@@]2([H])CC[C@]34C', '[H][C@:53]3([C@H:42]([CH3:12])[C@H:71](O)[CH2:30][C@H:41]([CH2:24][CH3:12])[CH:29]([CH3:18])[CH3:21])[CH2:28][CH2:24][C@@:57]4([H])[C@:37]2([H])[CH2:43][C@:82]1(O)[CH2:43][C@@H:67](O)[CH2:28][CH2:27][C@:45]1([CH3:18])[C@@:52]2([H])[CH2:22][CH2:40][C@:45]34[CH3:13]', '35 38 H 16.53 -11.54 H 15.03 -12.89 H 12.73 -11.90 H 14.03 -11.14 C:24002 22.25 -6.74 C:26 23.61 -10.87 C:27 21.22 -11.64 C:21 17.52 -8.30 C:18 16.17 -9.26 C:19 11.37 -9.80 O 7.57 -13.57 O 19.84 -11.28 O 11.37 -14.27 C:24001 22.70 -8.11 C:2 8.81 -11.29 C:1 10.09 -10.51 C:16 17.30 -12.12 C:15 16.05 -12.85 C:11 13.32 -9.58 C:12 14.75 -9.43 C:23 20.33 -8.90 C:4 10.09 -13.53 C:6 12.75 -13.20 C:25 22.18 -10.56 C:3 8.81 -12.81 C:22 19.38 -9.96 C:20 17.95 -9.67 C:24 21.73 -9.18 C:17 17.00 -10.73 C:14 15.01 -11.88 C:9 12.75 -10.89 C:8 13.59 -12.03 C:5 11.37 -12.81 C:13 15.57 -10.58 C:10 11.37 -11.29 29 1 -2 30 2 -2 31 3 -2 32 4 -1 5 14 1 6 24 1 7 24 1 27 8 -2 34 9 -1 35 10 -1 25 11 -1 26 12 -1 33 13 -1 28 14 -2 15 16 1 15 25 1 16 35 1 17 18 1 17 29 1 18 30 1 19 20 1 19 31 1 20 34 1 21 26 1 21 28 1 22 25 1 22 33 1 23 32 1 23 33 1 24 28 1 26 27 1 27 29 1 29 34 1 30 32 1 30 34 1 31 32 1 31 35 1 33 35 1', '35 38 H 16.53 -11.54 H 15.03 -12.89 H 12.73 -11.90 H 14.03 -11.14 C 22.25 -6.74 C 23.61 -10.87 C 21.22 -11.64 C 17.52 -8.30 C 16.17 -9.26 C 11.37 -9.80 O 7.57 -13.57 O 19.84 -11.28 O 11.37 -14.27 C 22.70 -8.11 C 8.81 -11.29 C 10.09 -10.51 C 17.30 -12.12 C 16.05 -12.85 C 13.32 -9.58 C 14.75 -9.43 C 20.33 -8.90 C 10.09 -13.53 C 12.75 -13.20 C 22.18 -10.56 C 8.81 -12.81 C 19.38 -9.96 C 17.95 -9.67 C 21.73 -9.18 C 17.00 -10.73 C 15.01 -11.88 C 12.75 -10.89 C 13.59 -12.03 C 11.37 -12.81 C 15.57 -10.58 C 11.37 -11.29 29 1 -2 30 2 -2 31 3 -2 32 4 -1 5 14 1 6 24 1 7 24 1 27 8 -2 34 9 -1 35 10 -1 25 11 -1 26 12 -1 33 13 -1 28 14 -2 15 16 1 15 25 1 16 35 1 17 18 1 17 29 1 18 30 1 19 20 1 19 31 1 20 34 1 21 26 1 21 28 1 22 25 1 22 33 1 23 32 1 23 33 1 24 28 1 26 27 1 27 29 1 29 34 1 30 32 1 30 34 1 31 32 1 31 35 1 33 35 1', '35 38 H 16.53 -11.54 H 15.03 -12.89 H 12.73 -11.90 H 14.03 -11.14 C:12 22.25 -6.74 C:18 23.61 -10.87 C:21 21.22 -11.64 C:12 17.52 -8.30 C:13 16.17 -9.26 C:18 11.37 -9.80 O 7.57 -13.57 O 19.84 -11.28 O 11.37 -14.27 C:24 22.70 -8.11 C:28 8.81 -11.29 C:27 10.09 -10.51 C:28 17.30 -12.12 C:24 16.05 -12.85 C:22 13.32 -9.58 C:40 14.75 -9.43 C:30 20.33 -8.90 C:43 10.09 -13.53 C:43 12.75 -13.20 C:29 22.18 -10.56 C:67 8.81 -12.81 C:71 19.38 -9.96 C:42 17.95 -9.67 C:41 21.73 -9.18 C:53 17.00 -10.73 C:57 15.01 -11.88 C:52 12.75 -10.89 C:37 13.59 -12.03 C:82 11.37 -12.81 C:45 15.57 -10.58 C:45 11.37 -11.29 29 1 -2 30 2 -2 31 3 -2 32 4 -1 5 14 1 6 24 1 7 24 1 27 8 -2 34 9 -1 35 10 -1 25 11 -1 26 12 -1 33 13 -1 28 14 -2 15 16 1 15 25 1 16 35 1 17 18 1 17 29 1 18 30 1 19 20 1 19 31 1 20 34 1 21 26 1 21 28 1 22 25 1 22 33 1 23 32 1 23 33 1 24 28 1 26 27 1 27 29 1 29 34 1 30 32 1 30 34 1 31 32 1 31 35 1 33 35 1', 'C28H50O3', 434.33, 'C', 'ph48_1391_9', 1324, '', '', '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
(6937, 'Isosteviol', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C:16](=O)[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@@]14CC(=O)[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:58]23[CH2:23][CH2:43][C@@:48]14[CH2:50][C:225](=O)[C@@:41]([CH3:20])([CH2:39][CH2:21][C@@:56]1([H])[C@:39]2([CH3:14])[CH2:41][CH2:20][CH2:39][C@@:45]3([CH3:30])[C:182](=O)O)[CH2:55]4', '25 28 H 14.27 -13.10 H 15.49 -10.97 C:17 17.93 -7.16 C:18 13.99 -13.86 C:20 14.25 -9.28 O 10.67 -13.36 O 20.45 -9.26 O 12.35 -15.13 C:2 11.82 -10.69 C:12 16.71 -7.85 C:3 11.82 -12.08 C:1 13.02 -9.98 C:11 15.49 -8.56 C:6 15.49 -12.82 C:7 16.71 -12.08 C:15 18.28 -10.99 C:14 17.93 -9.98 C:19 12.01 -13.77 C:16 19.08 -9.56 C:13 17.93 -8.56 C:5 14.25 -12.08 C:9 15.49 -9.98 C:4 13.02 -12.82 C:10 14.25 -10.69 C:8 16.71 -10.69 21 1 -1 22 2 -1 20 3 -1 23 4 -1 24 5 -2 6 18 2 7 19 2 8 18 1 9 11 1 9 12 1 10 13 1 10 20 1 11 23 1 12 24 1 13 22 1 14 15 1 14 21 1 15 25 1 16 19 1 25 16 -2 17 20 1 17 25 1 23 18 -2 20 19 -2 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 14.27 -13.10 H 15.49 -10.97 C 17.93 -7.16 C 13.99 -13.86 C 14.25 -9.28 O 10.67 -13.36 O 20.45 -9.26 O 12.35 -15.13 C 11.82 -10.69 C 16.71 -7.85 C 11.82 -12.08 C 13.02 -9.98 C 15.49 -8.56 C 15.49 -12.82 C 16.71 -12.08 C 18.28 -10.99 C 17.93 -9.98 C 12.01 -13.77 C 19.08 -9.56 C 17.93 -8.56 C 14.25 -12.08 C 15.49 -9.98 C 13.02 -12.82 C 14.25 -10.69 C 16.71 -10.69 21 1 -1 22 2 -1 20 3 -1 23 4 -1 24 5 -2 6 18 2 7 19 2 8 18 1 9 11 1 9 12 1 10 13 1 10 20 1 11 23 1 12 24 1 13 22 1 14 15 1 14 21 1 15 25 1 16 19 1 25 16 -2 17 20 1 17 25 1 23 18 -2 20 19 -2 21 23 1 21 24 1 22 24 1 22 25 1', '25 28 H 14.27 -13.10 H 15.49 -10.97 C:20 17.93 -7.16 C:30 13.99 -13.86 C:14 14.25 -9.28 O 10.67 -13.36 O 20.45 -9.26 O 12.35 -15.13 C:20 11.82 -10.69 C:39 16.71 -7.85 C:39 11.82 -12.08 C:41 13.02 -9.98 C:21 15.49 -8.56 C:23 15.49 -12.82 C:43 16.71 -12.08 C:50 18.28 -10.99 C:55 17.93 -9.98 C:182 12.01 -13.77 C:225 19.08 -9.56 C:41 17.93 -8.56 C:58 14.25 -12.08 C:56 15.49 -9.98 C:45 13.02 -12.82 C:39 14.25 -10.69 C:48 16.71 -10.69 21 1 -1 22 2 -1 20 3 -1 23 4 -1 24 5 -2 6 18 2 7 19 2 8 18 1 9 11 1 9 12 1 10 13 1 10 20 1 11 23 1 12 24 1 13 22 1 14 15 1 14 21 1 15 25 1 16 19 1 25 16 -2 17 20 1 17 25 1 23 18 -2 20 19 -2 21 23 1 21 24 1 22 24 1 22 25 1', 'C20H30O3', 318.228, 'C', 'ph51_737_1', 474, '', '', '1', 1, NULL, NULL),
(6938, '7b-Hydroxyisosteviol methyl ester', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15][C:16]2=O)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O[CH3:19001])[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(CC2=O)[C@@H](O)C[C@]4([H])[C@](C)(C(=O)OC)CCC[C@@]34C', '[H][C@@:47]13[CH2:20][CH2:38][C@@:43]2([CH3:20])[CH2:50][C@@:49]1([CH2:47][C:222]2=O)[C@@H:76](O)[CH2:29][C@:49]4([H])[C@:44]([CH3:29])([C:178](=O)O[CH3:51])[CH2:37][CH2:19][CH2:39][C@@:38]34[CH3:13]', '27 30 H 15.49 -10.46 H 14.27 -12.59 C:19001 11.31 -15.60 C:17 17.93 -6.64 C:18 13.99 -13.35 C:20 14.25 -8.77 O 20.43 -8.75 O 10.67 -12.86 O 17.95 -12.22 C:2 11.82 -10.18 C:3 11.82 -11.57 C:1 13.02 -9.47 C:12 16.71 -7.34 C:11 15.49 -8.06 C:15 18.28 -10.48 C:6 15.49 -12.31 C:14 17.93 -9.47 O 12.32 -14.62 C:16 19.08 -9.05 C:19 12.02 -13.26 C:7 16.71 -11.57 C:13 17.93 -8.06 C:9 15.49 -9.47 C:5 14.25 -11.57 C:4 13.02 -12.31 C:10 14.25 -10.18 C:8 16.71 -10.18 23 1 -1 24 2 -1 3 18 1 22 4 -1 25 5 -1 26 6 -2 7 19 2 8 20 2 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 22 19 -2 25 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 15.49 -10.46 H 14.27 -12.59 C 11.31 -15.60 C 17.93 -6.64 C 13.99 -13.35 C 14.25 -8.77 O 20.43 -8.75 O 10.67 -12.86 O 17.95 -12.22 C 11.82 -10.18 C 11.82 -11.57 C 13.02 -9.47 C 16.71 -7.34 C 15.49 -8.06 C 18.28 -10.48 C 15.49 -12.31 C 17.93 -9.47 O 12.32 -14.62 C 19.08 -9.05 C 12.02 -13.26 C 16.71 -11.57 C 17.93 -8.06 C 15.49 -9.47 C 14.25 -11.57 C 13.02 -12.31 C 14.25 -10.18 C 16.71 -10.18 23 1 -1 24 2 -1 3 18 1 22 4 -1 25 5 -1 26 6 -2 7 19 2 8 20 2 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 22 19 -2 25 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 15.49 -10.46 H 14.27 -12.59 C:51 11.31 -15.60 C:20 17.93 -6.64 C:29 13.99 -13.35 C:13 14.25 -8.77 O 20.43 -8.75 O 10.67 -12.86 O 17.95 -12.22 C:19 11.82 -10.18 C:37 11.82 -11.57 C:39 13.02 -9.47 C:38 16.71 -7.34 C:20 15.49 -8.06 C:47 18.28 -10.48 C:29 15.49 -12.31 C:50 17.93 -9.47 O 12.32 -14.62 C:222 19.08 -9.05 C:178 12.02 -13.26 C:76 16.71 -11.57 C:43 17.93 -8.06 C:47 15.49 -9.47 C:49 14.25 -11.57 C:44 13.02 -12.31 C:38 14.25 -10.18 C:49 16.71 -10.18 23 1 -1 24 2 -1 3 18 1 22 4 -1 25 5 -1 26 6 -2 7 19 2 8 20 2 21 9 -1 10 11 1 10 12 1 11 25 1 12 26 1 13 14 1 13 22 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 22 19 -2 25 20 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', 'C21H32O4', 348.238, 'C', 'ph51_737_4', 474, '', '', '1', 1, NULL, NULL),
(6939, '1a,7b-Dihydroxyisosteviol methyl ester', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@:13]2([CH3:17])[CH2:14][C@@:8]1([CH2:15][C:16]2=O)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([C:19](=O)O[CH3:19001])[CH2:3][CH2:2][C@H:1](O)[C@@:10]34[CH3:20]', '[H][C@@]13CC[C@@]2(C)C[C@@]1(CC2=O)[C@@H](O)C[C@]4([H])[C@](C)(C(=O)OC)CC[C@H](O)[C@@]34C', '[H][C@@:46]13[CH2:23][CH2:38][C@@:43]2([CH3:20])[CH2:50][C@@:49]1([CH2:47][C:222]2=O)[C@@H:76](O)[CH2:30][C@:49]4([H])[C@:44]([CH3:28])([C:178](=O)O[CH3:52])[CH2:36][CH2:29][C@H:81](O)[C@@:44]34[CH3:8]', '28 31 H 15.49 -10.46 H 14.27 -12.59 C:19001 11.31 -15.60 C:17 17.93 -6.64 C:18 13.99 -13.35 C:20 14.25 -8.77 O 20.43 -8.75 O 10.67 -12.86 O 12.99 -8.07 O 17.95 -12.22 C:2 11.82 -10.18 C:3 11.82 -11.57 C:12 16.71 -7.34 C:11 15.49 -8.06 C:15 18.28 -10.48 C:6 15.49 -12.31 C:14 17.93 -9.47 O 12.32 -14.62 C:16 19.08 -9.05 C:19 12.02 -13.26 C:1 13.02 -9.47 C:7 16.71 -11.57 C:13 17.93 -8.06 C:9 15.49 -9.47 C:5 14.25 -11.57 C:4 13.02 -12.31 C:10 14.25 -10.18 C:8 16.71 -10.18 24 1 -1 25 2 -1 3 18 1 23 4 -1 26 5 -1 27 6 -2 7 19 2 8 20 2 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 19 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 20 1 23 19 -2 26 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 15.49 -10.46 H 14.27 -12.59 C 11.31 -15.60 C 17.93 -6.64 C 13.99 -13.35 C 14.25 -8.77 O 20.43 -8.75 O 10.67 -12.86 O 12.99 -8.07 O 17.95 -12.22 C 11.82 -10.18 C 11.82 -11.57 C 16.71 -7.34 C 15.49 -8.06 C 18.28 -10.48 C 15.49 -12.31 C 17.93 -9.47 O 12.32 -14.62 C 19.08 -9.05 C 12.02 -13.26 C 13.02 -9.47 C 16.71 -11.57 C 17.93 -8.06 C 15.49 -9.47 C 14.25 -11.57 C 13.02 -12.31 C 14.25 -10.18 C 16.71 -10.18 24 1 -1 25 2 -1 3 18 1 23 4 -1 26 5 -1 27 6 -2 7 19 2 8 20 2 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 19 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 20 1 23 19 -2 26 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 15.49 -10.46 H 14.27 -12.59 C:52 11.31 -15.60 C:20 17.93 -6.64 C:28 13.99 -13.35 C:8 14.25 -8.77 O 20.43 -8.75 O 10.67 -12.86 O 12.99 -8.07 O 17.95 -12.22 C:29 11.82 -10.18 C:36 11.82 -11.57 C:38 16.71 -7.34 C:23 15.49 -8.06 C:47 18.28 -10.48 C:30 15.49 -12.31 C:50 17.93 -9.47 O 12.32 -14.62 C:222 19.08 -9.05 C:178 12.02 -13.26 C:81 13.02 -9.47 C:76 16.71 -11.57 C:43 17.93 -8.06 C:46 15.49 -9.47 C:49 14.25 -11.57 C:44 13.02 -12.31 C:44 14.25 -10.18 C:49 16.71 -10.18 24 1 -1 25 2 -1 3 18 1 23 4 -1 26 5 -1 27 6 -2 7 19 2 8 20 2 21 9 -2 22 10 -1 11 12 1 11 21 1 12 26 1 13 14 1 13 23 1 14 24 1 15 19 1 28 15 -2 16 22 1 16 25 1 17 23 1 17 28 1 18 20 1 23 19 -2 26 20 -2 21 27 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', 'C21H32O5', 364.238, 'C', 'ph51_737_5', 474, '', '', '1', 1, NULL, NULL),
(6940, '17-Hydroxyisosteviol', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C:16](=O)[C@@:13]([CH2:17]O)([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@@]14CC(=O)[C@@](CO)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:57]23[CH2:22][CH2:42][C@@:40]14[CH2:49][C:224](=O)[C@@:55]([CH2:66]O)([CH2:33][CH2:20][C@@:56]1([H])[C@:39]2([CH3:14])[CH2:40][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:183](=O)O)[CH2:49]4', '26 29 H 14.27 -13.43 H 15.49 -11.30 C:18 13.99 -14.19 C:20 14.25 -9.61 O 10.67 -13.70 O 20.43 -9.59 O 16.73 -6.77 O 12.37 -15.46 C:17 17.93 -7.48 C:2 11.82 -11.02 C:3 11.82 -12.41 C:6 15.49 -13.15 C:11 15.49 -8.90 C:1 13.02 -10.31 C:12 16.71 -8.18 C:7 16.71 -12.41 C:15 18.28 -11.32 C:14 17.93 -10.31 C:19 12.02 -14.10 C:16 19.08 -9.89 C:5 14.25 -12.41 C:9 15.49 -10.31 C:4 13.02 -13.15 C:10 14.25 -11.02 C:13 17.93 -8.90 C:8 16.71 -11.02 21 1 -1 22 2 -1 23 3 -1 24 4 -2 5 19 2 6 20 2 7 9 1 8 19 1 25 9 -1 10 11 1 10 14 1 11 23 1 12 16 1 12 21 1 13 15 1 13 22 1 14 24 1 15 25 1 16 26 1 17 20 1 26 17 -2 18 25 1 18 26 1 23 19 -2 25 20 -2 21 23 1 21 24 1 22 24 1 22 26 1', '26 29 H 14.27 -13.43 H 15.49 -11.30 C 13.99 -14.19 C 14.25 -9.61 O 10.67 -13.70 O 20.43 -9.59 O 16.73 -6.77 O 12.37 -15.46 C 17.93 -7.48 C 11.82 -11.02 C 11.82 -12.41 C 15.49 -13.15 C 15.49 -8.90 C 13.02 -10.31 C 16.71 -8.18 C 16.71 -12.41 C 18.28 -11.32 C 17.93 -10.31 C 12.02 -14.10 C 19.08 -9.89 C 14.25 -12.41 C 15.49 -10.31 C 13.02 -13.15 C 14.25 -11.02 C 17.93 -8.90 C 16.71 -11.02 21 1 -1 22 2 -1 23 3 -1 24 4 -2 5 19 2 6 20 2 7 9 1 8 19 1 25 9 -1 10 11 1 10 14 1 11 23 1 12 16 1 12 21 1 13 15 1 13 22 1 14 24 1 15 25 1 16 26 1 17 20 1 26 17 -2 18 25 1 18 26 1 23 19 -2 25 20 -2 21 23 1 21 24 1 22 24 1 22 26 1', '26 29 H 14.27 -13.43 H 15.49 -11.30 C:29 13.99 -14.19 C:14 14.25 -9.61 O 10.67 -13.70 O 20.43 -9.59 O 16.73 -6.77 O 12.37 -15.46 C:66 17.93 -7.48 C:19 11.82 -11.02 C:38 11.82 -12.41 C:22 15.49 -13.15 C:20 15.49 -8.90 C:40 13.02 -10.31 C:33 16.71 -8.18 C:42 16.71 -12.41 C:49 18.28 -11.32 C:49 17.93 -10.31 C:183 12.02 -14.10 C:224 19.08 -9.89 C:57 14.25 -12.41 C:56 15.49 -10.31 C:44 13.02 -13.15 C:39 14.25 -11.02 C:55 17.93 -8.90 C:40 16.71 -11.02 21 1 -1 22 2 -1 23 3 -1 24 4 -2 5 19 2 6 20 2 7 9 1 8 19 1 25 9 -1 10 11 1 10 14 1 11 23 1 12 16 1 12 21 1 13 15 1 13 22 1 14 24 1 15 25 1 16 26 1 17 20 1 26 17 -2 18 25 1 18 26 1 23 19 -2 25 20 -2 21 23 1 21 24 1 22 24 1 22 26 1', 'C20H30O4', 334.227, 'C', 'ph51_737_6', 474, '', '', '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
(6955, 'ent-18-Acetoxy-14a-(benzoyloxy)-15a,16a-epoxybeyerane', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]25[C@@H:15]1O[C@@H:16]1[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O)[CH:14]5O[C:14001](=O)[c:14002]6[cH:14003][cH:14004][cH:14005][cH:14006][cH:14007]6', '[H][C@]34CC[C@@]25[C@@H]1O[C@@H]1[C@@](C)(CC[C@@]2([H])[C@]3(C)CCC[C@]4(C)COC(C)=O)C5OC(=O)c6ccccc6', '[H][C@:48]34[CH2:19][CH2:30][C@@:46]25[C@@H:55]1O[C@@H:59]1[C@@:41]([CH3:19])([CH2:29][CH2:18][C@@:50]2([H])[C@:37]3([CH3:16])[CH2:39][CH2:18][CH2:36][C@:37]4([CH3:18])[CH2:73]O[C:171]([CH3:21])=O)[CH:78]5O[C:166](=O)[c:133]6[cH:131][cH:130][cH:129][cH:130][cH:131]6', '36 41 H 12.01 -11.83 H 13.21 -9.76 C:18002 11.86 -16.25 C:19 9.78 -12.50 C:17 15.61 -6.01 C:20 11.99 -8.07 O 13.61 -14.51 O 17.99 -7.40 C:14005 21.58 -10.84 C:14004 20.39 -11.53 C:14006 21.58 -9.45 C:14003 19.18 -10.84 C:14007 20.38 -8.76 C:2 9.60 -9.46 C:3 9.60 -10.84 C:1 10.79 -8.76 C:12 14.42 -6.67 C:11 13.21 -7.38 C:6 13.21 -11.57 C:7 14.42 -10.84 C:18 11.74 -12.59 O 11.34 -13.89 O 16.89 -9.36 O 17.80 -9.86 C:18001 12.26 -14.92 C:14001 17.99 -8.77 C:14002 19.18 -9.45 C:16 16.73 -8.36 C:15 15.96 -9.78 C:14 15.61 -8.76 C:4 10.79 -11.57 C:13 15.61 -7.38 C:5 11.99 -10.84 C:9 13.21 -8.76 C:10 11.99 -9.46 C:8 14.42 -9.46 33 1 -1 34 2 -1 3 25 1 31 4 -2 32 5 -1 35 6 -2 7 25 2 8 26 2 9 10 2 9 11 1 10 12 1 11 13 2 12 27 2 13 27 1 14 15 1 14 16 1 15 31 1 16 35 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 31 21 -1 22 25 1 23 26 1 23 30 1 28 24 -1 29 24 -1 26 27 1 28 29 1 32 28 -2 36 29 -2 30 32 1 30 36 1 31 33 1 33 35 1 34 35 1 34 36 1', '36 41 H 12.01 -11.83 H 13.21 -9.76 C 11.86 -16.25 C 9.78 -12.50 C 15.61 -6.01 C 11.99 -8.07 O 13.61 -14.51 O 17.99 -7.40 C 21.58 -10.84 C 20.39 -11.53 C 21.58 -9.45 C 19.18 -10.84 C 20.38 -8.76 C 9.60 -9.46 C 9.60 -10.84 C 10.79 -8.76 C 14.42 -6.67 C 13.21 -7.38 C 13.21 -11.57 C 14.42 -10.84 C 11.74 -12.59 O 11.34 -13.89 O 16.89 -9.36 O 17.80 -9.86 C 12.26 -14.92 C 17.99 -8.77 C 19.18 -9.45 C 16.73 -8.36 C 15.96 -9.78 C 15.61 -8.76 C 10.79 -11.57 C 15.61 -7.38 C 11.99 -10.84 C 13.21 -8.76 C 11.99 -9.46 C 14.42 -9.46 33 1 -1 34 2 -1 3 25 1 31 4 -2 32 5 -1 35 6 -2 7 25 2 8 26 2 9 10 2 9 11 1 10 12 1 11 13 2 12 27 2 13 27 1 14 15 1 14 16 1 15 31 1 16 35 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 31 21 -1 22 25 1 23 26 1 23 30 1 28 24 -1 29 24 -1 26 27 1 28 29 1 32 28 -2 36 29 -2 30 32 1 30 36 1 31 33 1 33 35 1 34 35 1 34 36 1', '36 41 H 12.01 -11.83 H 13.21 -9.76 C:21 11.86 -16.25 C:18 9.78 -12.50 C:19 15.61 -6.01 C:16 11.99 -8.07 O 13.61 -14.51 O 17.99 -7.40 C:129 21.58 -10.84 C:130 20.39 -11.53 C:130 21.58 -9.45 C:131 19.18 -10.84 C:131 20.38 -8.76 C:18 9.60 -9.46 C:36 9.60 -10.84 C:39 10.79 -8.76 C:29 14.42 -6.67 C:18 13.21 -7.38 C:19 13.21 -11.57 C:30 14.42 -10.84 C:73 11.74 -12.59 O 11.34 -13.89 O 16.89 -9.36 O 17.80 -9.86 C:171 12.26 -14.92 C:166 17.99 -8.77 C:133 19.18 -9.45 C:59 16.73 -8.36 C:55 15.96 -9.78 C:78 15.61 -8.76 C:37 10.79 -11.57 C:41 15.61 -7.38 C:48 11.99 -10.84 C:50 13.21 -8.76 C:37 11.99 -9.46 C:46 14.42 -9.46 33 1 -1 34 2 -1 3 25 1 31 4 -2 32 5 -1 35 6 -2 7 25 2 8 26 2 9 10 2 9 11 1 10 12 1 11 13 2 12 27 2 13 27 1 14 15 1 14 16 1 15 31 1 16 35 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 31 21 -1 22 25 1 23 26 1 23 30 1 28 24 -1 29 24 -1 26 27 1 28 29 1 32 28 -2 36 29 -2 30 32 1 30 36 1 31 33 1 33 35 1 34 35 1 34 36 1', 'C29H38O5', 466.323, 'C', 'np96_124_6', 700, '', '', '1', 1, NULL, NULL),
(6956, 'ent-18-Acetoxy-14b-(benzoyloxy)-15a,16a-epoxybeyerane', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]25[C@@H:15]1O[C@@H:16]1[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O)[C@@H:14]5O[C:14001](=O)[c:14002]6[cH:14007][cH:14006][cH:14005][cH:14004][cH:14003]6', '[H][C@]34CC[C@@]25[C@@H]1O[C@@H]1[C@@](C)(CC[C@@]2([H])[C@]3(C)CCC[C@]4(C)COC(C)=O)[C@@H]5OC(=O)c6ccccc6', '[H][C@:49]34[CH2:19][CH2:28][C@@:49]25[C@@H:55]1O[C@@H:60]1[C@@:45]([CH3:18])([CH2:35][CH2:18][C@@:57]2([H])[C@:38]3([CH3:16])[CH2:39][CH2:18][CH2:36][C@:36]4([CH3:17])[CH2:73]O[C:171]([CH3:21])=O)[C@@H:85]5O[C:167](=O)[c:133]6[cH:130][cH:130][cH:128][cH:130][cH:130]6', '36 41 H 12.01 -11.83 H 13.21 -9.76 C:18002 11.86 -16.25 C:19 9.78 -12.50 C:17 15.61 -6.01 C:20 11.99 -8.07 O 13.61 -14.51 O 17.99 -7.40 C:14005 21.58 -10.84 C:14006 21.58 -9.45 C:14004 20.39 -11.53 C:14007 20.38 -8.76 C:14003 19.18 -10.84 C:2 9.60 -9.46 C:3 9.60 -10.84 C:1 10.79 -8.76 C:12 14.42 -6.67 C:11 13.21 -7.38 C:6 13.21 -11.57 C:7 14.42 -10.84 C:18 11.74 -12.59 O 11.34 -13.89 O 16.89 -9.36 O 17.80 -9.86 C:18001 12.26 -14.92 C:14001 17.99 -8.77 C:14002 19.18 -9.45 C:16 16.73 -8.36 C:15 15.96 -9.78 C:14 15.61 -8.76 C:4 10.79 -11.57 C:13 15.61 -7.38 C:5 11.99 -10.84 C:9 13.21 -8.76 C:10 11.99 -9.46 C:8 14.42 -9.46 33 1 -1 34 2 -1 3 25 1 31 4 -2 32 5 -1 35 6 -2 7 25 2 8 26 2 9 10 1 9 11 2 10 12 2 11 13 1 12 27 1 13 27 2 14 15 1 14 16 1 15 31 1 16 35 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 31 21 -1 22 25 1 23 26 1 30 23 -2 28 24 -1 29 24 -1 26 27 1 28 29 1 32 28 -2 36 29 -2 30 32 1 30 36 1 31 33 1 33 35 1 34 35 1 34 36 1', '36 41 H 12.01 -11.83 H 13.21 -9.76 C 11.86 -16.25 C 9.78 -12.50 C 15.61 -6.01 C 11.99 -8.07 O 13.61 -14.51 O 17.99 -7.40 C 21.58 -10.84 C 21.58 -9.45 C 20.39 -11.53 C 20.38 -8.76 C 19.18 -10.84 C 9.60 -9.46 C 9.60 -10.84 C 10.79 -8.76 C 14.42 -6.67 C 13.21 -7.38 C 13.21 -11.57 C 14.42 -10.84 C 11.74 -12.59 O 11.34 -13.89 O 16.89 -9.36 O 17.80 -9.86 C 12.26 -14.92 C 17.99 -8.77 C 19.18 -9.45 C 16.73 -8.36 C 15.96 -9.78 C 15.61 -8.76 C 10.79 -11.57 C 15.61 -7.38 C 11.99 -10.84 C 13.21 -8.76 C 11.99 -9.46 C 14.42 -9.46 33 1 -1 34 2 -1 3 25 1 31 4 -2 32 5 -1 35 6 -2 7 25 2 8 26 2 9 10 1 9 11 2 10 12 2 11 13 1 12 27 1 13 27 2 14 15 1 14 16 1 15 31 1 16 35 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 31 21 -1 22 25 1 23 26 1 30 23 -2 28 24 -1 29 24 -1 26 27 1 28 29 1 32 28 -2 36 29 -2 30 32 1 30 36 1 31 33 1 33 35 1 34 35 1 34 36 1', '36 41 H 12.01 -11.83 H 13.21 -9.76 C:21 11.86 -16.25 C:17 9.78 -12.50 C:18 15.61 -6.01 C:16 11.99 -8.07 O 13.61 -14.51 O 17.99 -7.40 C:128 21.58 -10.84 C:130 21.58 -9.45 C:130 20.39 -11.53 C:130 20.38 -8.76 C:130 19.18 -10.84 C:18 9.60 -9.46 C:36 9.60 -10.84 C:39 10.79 -8.76 C:35 14.42 -6.67 C:18 13.21 -7.38 C:19 13.21 -11.57 C:28 14.42 -10.84 C:73 11.74 -12.59 O 11.34 -13.89 O 16.89 -9.36 O 17.80 -9.86 C:171 12.26 -14.92 C:167 17.99 -8.77 C:133 19.18 -9.45 C:60 16.73 -8.36 C:55 15.96 -9.78 C:85 15.61 -8.76 C:36 10.79 -11.57 C:45 15.61 -7.38 C:49 11.99 -10.84 C:57 13.21 -8.76 C:38 11.99 -9.46 C:49 14.42 -9.46 33 1 -1 34 2 -1 3 25 1 31 4 -2 32 5 -1 35 6 -2 7 25 2 8 26 2 9 10 1 9 11 2 10 12 2 11 13 1 12 27 1 13 27 2 14 15 1 14 16 1 15 31 1 16 35 1 17 18 1 17 32 1 18 34 1 19 20 1 19 33 1 20 36 1 21 22 1 31 21 -1 22 25 1 23 26 1 30 23 -2 28 24 -1 29 24 -1 26 27 1 28 29 1 32 28 -2 36 29 -2 30 32 1 30 36 1 31 33 1 33 35 1 34 35 1 34 36 1', 'C29H38O5', 466.323, 'C', 'np96_124_7', 700, '', '', '1', 1, NULL, NULL),
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(6968, 'ent-7a,18-Diacetoxybeyer-15en-14-one ', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]13[CH2:11][CH2:12][C@:13]2([CH3:17])[CH:16]=[CH:15][C@:8]1([C:14]2=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[CH2:6][C@:5]4([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@]2(C)C=C[C@]1(C2=O)[C@@H](OC(C)=O)C[C@]4([H])[C@@](C)(COC(C)=O)CCC[C@@]34C', '[H][C@@:51]13[CH2:19][CH2:35][C@:52]2([CH3:18])[CH:134]=[CH:130][C@:56]1([C:215]2=O)[C@@H:69](O[C:171]([CH3:22])=O)[CH2:25][C@:41]4([H])[C@@:36]([CH3:17])([CH2:72]O[C:170]([CH3:21])=O)[CH2:34][CH2:18][CH2:39][C@@:38]34[CH3:16]', '31 34 H 15.57 -9.76 H 14.34 -11.88 C:18002 14.25 -16.37 C:7002 19.23 -13.61 C:17 18.01 -5.93 C:19 12.08 -12.55 C:20 14.32 -8.08 O 16.00 -14.70 O 16.80 -13.61 O 16.81 -8.07 C:16 19.16 -8.36 C:15 18.36 -9.78 C:2 11.89 -9.47 C:3 11.89 -10.86 C:1 13.09 -8.78 C:12 16.79 -6.64 C:11 15.57 -7.35 C:18 14.06 -12.64 C:6 15.57 -11.60 O 13.67 -14.02 O 18.02 -11.51 C:18001 14.64 -15.03 C:7001 18.02 -12.91 C:14 18.01 -8.78 C:7 16.79 -10.86 C:13 18.01 -7.35 C:4 13.09 -11.60 C:9 15.57 -8.78 C:5 14.32 -10.86 C:10 14.32 -9.47 C:8 16.79 -9.47 28 1 -1 29 2 -1 3 22 1 4 23 1 26 5 -1 27 6 -2 30 7 -2 8 22 2 9 23 2 10 24 2 11 12 2 26 11 -2 31 12 -2 13 14 1 13 15 1 14 27 1 15 30 1 16 17 1 16 26 1 17 28 1 18 20 1 27 18 -1 19 25 1 19 29 1 20 22 1 21 23 1 25 21 -1 24 26 1 24 31 1 25 31 1 27 29 1 28 30 1 28 31 1 29 30 1', '31 34 H 15.57 -9.76 H 14.34 -11.88 C 14.25 -16.37 C 19.23 -13.61 C 18.01 -5.93 C 12.08 -12.55 C 14.32 -8.08 O 16.00 -14.70 O 16.80 -13.61 O 16.81 -8.07 C 19.16 -8.36 C 18.36 -9.78 C 11.89 -9.47 C 11.89 -10.86 C 13.09 -8.78 C 16.79 -6.64 C 15.57 -7.35 C 14.06 -12.64 C 15.57 -11.60 O 13.67 -14.02 O 18.02 -11.51 C 14.64 -15.03 C 18.02 -12.91 C 18.01 -8.78 C 16.79 -10.86 C 18.01 -7.35 C 13.09 -11.60 C 15.57 -8.78 C 14.32 -10.86 C 14.32 -9.47 C 16.79 -9.47 28 1 -1 29 2 -1 3 22 1 4 23 1 26 5 -1 27 6 -2 30 7 -2 8 22 2 9 23 2 10 24 2 11 12 2 26 11 -2 31 12 -2 13 14 1 13 15 1 14 27 1 15 30 1 16 17 1 16 26 1 17 28 1 18 20 1 27 18 -1 19 25 1 19 29 1 20 22 1 21 23 1 25 21 -1 24 26 1 24 31 1 25 31 1 27 29 1 28 30 1 28 31 1 29 30 1', '31 34 H 15.57 -9.76 H 14.34 -11.88 C:21 14.25 -16.37 C:22 19.23 -13.61 C:18 18.01 -5.93 C:17 12.08 -12.55 C:16 14.32 -8.08 O 16.00 -14.70 O 16.80 -13.61 O 16.81 -8.07 C:134 19.16 -8.36 C:130 18.36 -9.78 C:18 11.89 -9.47 C:34 11.89 -10.86 C:39 13.09 -8.78 C:35 16.79 -6.64 C:19 15.57 -7.35 C:72 14.06 -12.64 C:25 15.57 -11.60 O 13.67 -14.02 O 18.02 -11.51 C:170 14.64 -15.03 C:171 18.02 -12.91 C:215 18.01 -8.78 C:69 16.79 -10.86 C:52 18.01 -7.35 C:36 13.09 -11.60 C:51 15.57 -8.78 C:41 14.32 -10.86 C:38 14.32 -9.47 C:56 16.79 -9.47 28 1 -1 29 2 -1 3 22 1 4 23 1 26 5 -1 27 6 -2 30 7 -2 8 22 2 9 23 2 10 24 2 11 12 2 26 11 -2 31 12 -2 13 14 1 13 15 1 14 27 1 15 30 1 16 17 1 16 26 1 17 28 1 18 20 1 27 18 -1 19 25 1 19 29 1 20 22 1 21 23 1 25 21 -1 24 26 1 24 31 1 25 31 1 27 29 1 28 30 1 28 31 1 29 30 1', 'C24H34O5', 402.27, 'C', 'ph36_657_6', 701, 'Intercambiado con el 4', '', '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
(6969, '1b-Acetoxy-17-hydroxybeyer-15-en-12-one ', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]34[CH2:6][CH2:7][C@:8]12[CH:15]=[CH:16][C@:13]([CH2:17]O)([CH2:14]1)[C:12](=O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@:4]4([CH3:19])[CH3:18]', '[H][C@]34CC[C@]12C=C[C@](CO)(C1)C(=O)C[C@@]2([H])[C@]3(C)[C@@H](OC(C)=O)CC[C@]4(C)C', '[H][C@:55]34[CH2:20][CH2:36][C@:49]12[CH:141]=[CH:132][C@:63]([CH2:64]O)([CH2:52]1)[C:213](=O)[CH2:39][C@@:54]2([H])[C@:42]3([CH3:11])[C@@H:82](O[C:171]([CH3:22])=O)[CH2:24][CH2:39][C@:33]4([CH3:21])[CH3:33]', '28 31 H 14.98 -14.07 H 16.19 -11.94 C:1002 12.53 -7.46 C:19 12.71 -14.74 C:18 14.70 -14.83 C:20 14.96 -10.25 O 11.30 -9.55 O 17.41 -7.42 O 19.84 -7.42 C:16 19.78 -10.53 C:15 18.98 -11.96 C:17 18.63 -8.12 C:2 12.52 -11.66 C:3 12.52 -13.05 C:6 16.19 -13.79 C:7 17.41 -13.05 C:11 16.19 -9.53 C:14 18.63 -10.95 O 13.73 -9.56 C:1001 12.52 -8.86 C:12 17.41 -8.82 C:1 13.73 -10.95 C:4 13.73 -13.79 C:5 14.96 -13.05 C:9 16.19 -10.95 C:13 18.63 -9.53 C:8 17.41 -11.66 C:10 14.96 -11.66 24 1 -1 25 2 -1 3 20 1 23 4 -2 23 5 -1 28 6 -2 7 20 2 8 21 2 9 12 1 10 11 2 26 10 -2 27 11 -2 26 12 -1 13 14 1 13 22 1 14 23 1 15 16 1 15 24 1 16 27 1 17 21 1 17 25 1 18 26 1 18 27 1 19 20 1 22 19 -2 21 26 1 22 28 1 23 24 1 24 28 1 25 27 1 25 28 1', '28 31 H 14.98 -14.07 H 16.19 -11.94 C 12.53 -7.46 C 12.71 -14.74 C 14.70 -14.83 C 14.96 -10.25 O 11.30 -9.55 O 17.41 -7.42 O 19.84 -7.42 C 19.78 -10.53 C 18.98 -11.96 C 18.63 -8.12 C 12.52 -11.66 C 12.52 -13.05 C 16.19 -13.79 C 17.41 -13.05 C 16.19 -9.53 C 18.63 -10.95 O 13.73 -9.56 C 12.52 -8.86 C 17.41 -8.82 C 13.73 -10.95 C 13.73 -13.79 C 14.96 -13.05 C 16.19 -10.95 C 18.63 -9.53 C 17.41 -11.66 C 14.96 -11.66 24 1 -1 25 2 -1 3 20 1 23 4 -2 23 5 -1 28 6 -2 7 20 2 8 21 2 9 12 1 10 11 2 26 10 -2 27 11 -2 26 12 -1 13 14 1 13 22 1 14 23 1 15 16 1 15 24 1 16 27 1 17 21 1 17 25 1 18 26 1 18 27 1 19 20 1 22 19 -2 21 26 1 22 28 1 23 24 1 24 28 1 25 27 1 25 28 1', '28 31 H 14.98 -14.07 H 16.19 -11.94 C:22 12.53 -7.46 C:21 12.71 -14.74 C:33 14.70 -14.83 C:11 14.96 -10.25 O 11.30 -9.55 O 17.41 -7.42 O 19.84 -7.42 C:132 19.78 -10.53 C:141 18.98 -11.96 C:64 18.63 -8.12 C:24 12.52 -11.66 C:39 12.52 -13.05 C:20 16.19 -13.79 C:36 17.41 -13.05 C:39 16.19 -9.53 C:52 18.63 -10.95 O 13.73 -9.56 C:171 12.52 -8.86 C:213 17.41 -8.82 C:82 13.73 -10.95 C:33 13.73 -13.79 C:55 14.96 -13.05 C:54 16.19 -10.95 C:63 18.63 -9.53 C:49 17.41 -11.66 C:42 14.96 -11.66 24 1 -1 25 2 -1 3 20 1 23 4 -2 23 5 -1 28 6 -2 7 20 2 8 21 2 9 12 1 10 11 2 26 10 -2 27 11 -2 26 12 -1 13 14 1 13 22 1 14 23 1 15 16 1 15 24 1 16 27 1 17 21 1 17 25 1 18 26 1 18 27 1 19 20 1 22 19 -2 21 26 1 22 28 1 23 24 1 24 28 1 25 27 1 25 28 1', 'C22H32O4', 360.249, 'C', 'ph36_657_8', 701, '', '', '1', 1, NULL, NULL),
(6970, 'ent-14b,18-Diacetoxy-3b-hydroxybeyer-15-en-7-one ', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]4([CH3:17])[CH:16]=[CH:15][C@@:8]1([C:7](=O)[CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[C@H:3](O)[CH2:2][CH2:1][C@@:10]23[CH3:20])[C@H:14]4O[C:14001]([CH3:14002])=O', '[H][C@@]12CC[C@]4(C)C=C[C@@]1(C(=O)C[C@]3([H])[C@@](C)(COC(C)=O)[C@H](O)CC[C@@]23C)[C@H]4OC(C)=O', '[H][C@@:54]12[CH2:20][CH2:32][C@:49]4([CH3:19])[CH:136]=[CH:130][C@@:64]1([C:211](=O)[CH2:31][C@:46]3([H])[C@@:43]([CH3:11])([CH2:66]O[C:172]([CH3:21])=O)[C@H:72](O)[CH2:26][CH2:36][C@@:36]23[CH3:15])[C@H:92]4O[C:172]([CH3:21])=O', '32 35 H 14.39 -9.76 H 13.16 -11.88 C:18002 13.07 -16.37 C:14002 20.46 -9.51 C:17 16.84 -5.94 C:19 10.90 -12.55 C:20 13.14 -8.08 O 14.82 -14.70 O 19.27 -7.39 O 16.86 -11.51 O 9.47 -11.52 C:16 17.99 -8.36 C:15 17.19 -9.78 C:2 10.71 -9.48 C:12 15.61 -6.65 C:11 14.39 -7.36 C:1 11.91 -8.78 C:18 12.88 -12.64 C:6 14.39 -11.60 O 12.49 -14.02 O 18.05 -9.47 C:18001 13.46 -15.03 C:14001 19.26 -8.79 C:7 15.61 -10.86 C:3 10.71 -10.86 C:14 16.84 -8.78 C:13 16.84 -7.36 C:9 14.39 -8.78 C:5 13.14 -10.86 C:4 11.91 -11.60 C:10 13.14 -9.48 C:8 15.61 -9.48 28 1 -1 29 2 -1 3 22 1 4 23 1 27 5 -1 30 6 -2 31 7 -2 8 22 2 9 23 2 10 24 2 25 11 -2 12 13 2 27 12 -2 32 13 -2 14 17 1 14 25 1 15 16 1 15 27 1 16 28 1 17 31 1 18 20 1 30 18 -1 19 24 1 19 29 1 20 22 1 21 23 1 26 21 -2 24 32 1 25 30 1 26 27 1 26 32 1 28 31 1 28 32 1 29 30 1 29 31 1', '32 35 H 14.39 -9.76 H 13.16 -11.88 C 13.07 -16.37 C 20.46 -9.51 C 16.84 -5.94 C 10.90 -12.55 C 13.14 -8.08 O 14.82 -14.70 O 19.27 -7.39 O 16.86 -11.51 O 9.47 -11.52 C 17.99 -8.36 C 17.19 -9.78 C 10.71 -9.48 C 15.61 -6.65 C 14.39 -7.36 C 11.91 -8.78 C 12.88 -12.64 C 14.39 -11.60 O 12.49 -14.02 O 18.05 -9.47 C 13.46 -15.03 C 19.26 -8.79 C 15.61 -10.86 C 10.71 -10.86 C 16.84 -8.78 C 16.84 -7.36 C 14.39 -8.78 C 13.14 -10.86 C 11.91 -11.60 C 13.14 -9.48 C 15.61 -9.48 28 1 -1 29 2 -1 3 22 1 4 23 1 27 5 -1 30 6 -2 31 7 -2 8 22 2 9 23 2 10 24 2 25 11 -2 12 13 2 27 12 -2 32 13 -2 14 17 1 14 25 1 15 16 1 15 27 1 16 28 1 17 31 1 18 20 1 30 18 -1 19 24 1 19 29 1 20 22 1 21 23 1 26 21 -2 24 32 1 25 30 1 26 27 1 26 32 1 28 31 1 28 32 1 29 30 1 29 31 1', '32 35 H 14.39 -9.76 H 13.16 -11.88 C:21 13.07 -16.37 C:21 20.46 -9.51 C:19 16.84 -5.94 C:11 10.90 -12.55 C:15 13.14 -8.08 O 14.82 -14.70 O 19.27 -7.39 O 16.86 -11.51 O 9.47 -11.52 C:136 17.99 -8.36 C:130 17.19 -9.78 C:26 10.71 -9.48 C:32 15.61 -6.65 C:20 14.39 -7.36 C:36 11.91 -8.78 C:66 12.88 -12.64 C:31 14.39 -11.60 O 12.49 -14.02 O 18.05 -9.47 C:172 13.46 -15.03 C:172 19.26 -8.79 C:211 15.61 -10.86 C:72 10.71 -10.86 C:92 16.84 -8.78 C:49 16.84 -7.36 C:54 14.39 -8.78 C:46 13.14 -10.86 C:43 11.91 -11.60 C:36 13.14 -9.48 C:64 15.61 -9.48 28 1 -1 29 2 -1 3 22 1 4 23 1 27 5 -1 30 6 -2 31 7 -2 8 22 2 9 23 2 10 24 2 25 11 -2 12 13 2 27 12 -2 32 13 -2 14 17 1 14 25 1 15 16 1 15 27 1 16 28 1 17 31 1 18 20 1 30 18 -1 19 24 1 19 29 1 20 22 1 21 23 1 26 21 -2 24 32 1 25 30 1 26 27 1 26 32 1 28 31 1 28 32 1 29 30 1 29 31 1', 'C24H34O6', 418.269, 'C', 'ph36_657_9', 701, '', '', '1', 1, NULL, NULL),
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(6983, 'Anisodorin 1', '', 'Terpenoids', 'Diterpenoids', 'Isocopalanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])[C@@H:14]([C:15](=O)O[CH2:15001][C@@H:15002](O)[CH2:15003]O[C:15301]([CH3:15302])=O)[C:13](=[CH2:16])[CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@]23CC[C@]1(C)[C@@H](C(=O)OC[C@@H](O)COC(C)=O)C(=C)CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C', '[H][C@:57]23[CH2:19][CH2:41][C@:40]1([CH3:15])[C@@H:63]([C:172](=O)O[CH2:65][C@@H:68](O)[CH2:65]O[C:171]([CH3:21])=O)[C:143](=[CH2:108])[CH2:36][CH2:22][C@@:59]1([H])[C@:38]2([CH3:16])[CH2:40][CH2:19][CH2:42][C@@:33]3([CH3:33])[CH3:22]', '32 34 H 10.07 -13.42 H 11.33 -11.19 C:16 15.09 -8.12 C:15302 23.59 -10.40 C:19 7.79 -14.13 C:18 9.80 -14.22 C:17 12.61 -9.58 C:20 10.07 -9.56 O 22.35 -12.48 O 15.09 -12.38 O 18.75 -8.93 C:2 7.61 -11.01 C:12 12.61 -8.12 C:3 7.61 -12.45 C:11 11.33 -8.83 C:1 8.81 -10.27 C:6 11.33 -13.17 C:7 12.61 -12.45 C:15003 19.95 -11.05 C:15001 17.52 -11.02 O 21.17 -10.36 O 16.31 -10.30 C:15301 22.37 -11.08 C:13 13.84 -8.83 C:15 15.09 -10.98 C:15002 18.74 -10.33 C:14 13.84 -10.27 C:4 8.81 -13.17 C:5 10.07 -12.45 C:9 11.33 -10.27 C:8 12.61 -11.01 C:10 10.07 -11.01 29 1 -1 30 2 -1 3 24 2 4 23 1 28 5 -1 28 6 -2 31 7 -2 32 8 -2 9 23 2 10 25 2 26 11 -1 12 14 1 12 16 1 13 15 1 13 24 1 14 28 1 15 30 1 16 32 1 17 18 1 17 29 1 18 31 1 19 21 1 19 26 1 20 22 1 20 26 1 21 23 1 22 25 1 24 27 1 27 25 -2 27 31 1 28 29 1 29 32 1 30 31 1 30 32 1', '32 34 H 10.07 -13.42 H 11.33 -11.19 C 15.09 -8.12 C 23.59 -10.40 C 7.79 -14.13 C 9.80 -14.22 C 12.61 -9.58 C 10.07 -9.56 O 22.35 -12.48 O 15.09 -12.38 O 18.75 -8.93 C 7.61 -11.01 C 12.61 -8.12 C 7.61 -12.45 C 11.33 -8.83 C 8.81 -10.27 C 11.33 -13.17 C 12.61 -12.45 C 19.95 -11.05 C 17.52 -11.02 O 21.17 -10.36 O 16.31 -10.30 C 22.37 -11.08 C 13.84 -8.83 C 15.09 -10.98 C 18.74 -10.33 C 13.84 -10.27 C 8.81 -13.17 C 10.07 -12.45 C 11.33 -10.27 C 12.61 -11.01 C 10.07 -11.01 29 1 -1 30 2 -1 3 24 2 4 23 1 28 5 -1 28 6 -2 31 7 -2 32 8 -2 9 23 2 10 25 2 26 11 -1 12 14 1 12 16 1 13 15 1 13 24 1 14 28 1 15 30 1 16 32 1 17 18 1 17 29 1 18 31 1 19 21 1 19 26 1 20 22 1 20 26 1 21 23 1 22 25 1 24 27 1 27 25 -2 27 31 1 28 29 1 29 32 1 30 31 1 30 32 1', '32 34 H 10.07 -13.42 H 11.33 -11.19 C:108 15.09 -8.12 C:21 23.59 -10.40 C:33 7.79 -14.13 C:22 9.80 -14.22 C:15 12.61 -9.58 C:16 10.07 -9.56 O 22.35 -12.48 O 15.09 -12.38 O 18.75 -8.93 C:19 7.61 -11.01 C:36 12.61 -8.12 C:42 7.61 -12.45 C:22 11.33 -8.83 C:40 8.81 -10.27 C:19 11.33 -13.17 C:41 12.61 -12.45 C:65 19.95 -11.05 C:65 17.52 -11.02 O 21.17 -10.36 O 16.31 -10.30 C:171 22.37 -11.08 C:143 13.84 -8.83 C:172 15.09 -10.98 C:68 18.74 -10.33 C:63 13.84 -10.27 C:33 8.81 -13.17 C:57 10.07 -12.45 C:59 11.33 -10.27 C:40 12.61 -11.01 C:38 10.07 -11.01 29 1 -1 30 2 -1 3 24 2 4 23 1 28 5 -1 28 6 -2 31 7 -2 32 8 -2 9 23 2 10 25 2 26 11 -1 12 14 1 12 16 1 13 15 1 13 24 1 14 28 1 15 30 1 16 32 1 17 18 1 17 29 1 18 31 1 19 21 1 19 26 1 20 22 1 20 26 1 21 23 1 22 25 1 24 27 1 27 25 -2 27 31 1 28 29 1 29 32 1 30 31 1 30 32 1', 'C25H40O5', 420.28, 'C', 'np99_269_1', 713, '', '', '1', 1, NULL, NULL),
(6984, 'Anisodorin 2', '', 'Terpenoids', 'Diterpenoids', 'Isocopalanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])[C@@H:14]([C:15](=O)O[CH2:15001][C@H:15002]([CH2:15003]O)O[C:15201]([CH3:15202])=O)[C:13](=[CH2:16])[CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@]1(C)[C@@H](C(=O)OC[C@H](CO)OC(C)=O)C(=C)CC[C@@]1([H])[C@]2(C)CCC[C@]3(C)C', '[H][C@:57]23[CH2:19][CH2:41][C@:9999]1([CH3:15])[C@@H:63]([C:9999](=O)O[CH2:62][C@H:72]([CH2:61]O)O[C:9999]([CH3:9999])=O)[C:9999](=[CH2:108])[CH2:36][CH2:22][C@@:59]1([H])[C@:9999]2([CH3:16])[CH2:40][CH2:19][CH2:42][C@:9999]3([CH3:22])[CH3:33]', '32 34 H 11.24 -14.03 H 12.50 -11.80 C:16 16.26 -8.73 C:15202 21.14 -7.45 C:18 10.97 -14.83 C:19 8.96 -14.74 C:17 13.78 -10.19 C:20 11.24 -10.17 O 22.35 -9.56 O 16.26 -12.99 O 22.34 -10.97 C:2 8.78 -11.62 C:12 13.78 -8.73 C:15003 21.12 -11.66 C:3 8.78 -13.06 C:1 9.98 -10.88 C:11 12.50 -9.44 C:6 12.50 -13.78 C:7 13.78 -13.06 C:15001 18.69 -11.63 O 17.48 -10.91 O 19.92 -9.54 C:15201 21.14 -8.85 C:13 15.01 -9.44 C:15 16.26 -11.59 C:15002 19.91 -10.94 C:14 15.01 -10.88 C:4 9.98 -13.78 C:5 11.24 -13.06 C:9 12.50 -10.88 C:8 13.78 -11.62 C:10 11.24 -11.62 29 1 -1 30 2 -1 3 24 2 4 23 1 28 5 -2 28 6 -1 31 7 -2 32 8 -2 9 23 2 10 25 2 11 14 1 12 15 1 12 16 1 13 17 1 13 24 1 14 26 1 15 28 1 16 32 1 17 30 1 18 19 1 18 29 1 19 31 1 20 21 1 20 26 1 21 25 1 22 23 1 26 22 -1 24 27 1 27 25 -2 27 31 1 28 29 1 29 32 1 30 31 1 30 32 1', '32 34 H 11.24 -14.03 H 12.50 -11.80 C 16.26 -8.73 C 21.14 -7.45 C 10.97 -14.83 C 8.96 -14.74 C 13.78 -10.19 C 11.24 -10.17 O 22.35 -9.56 O 16.26 -12.99 O 22.34 -10.97 C 8.78 -11.62 C 13.78 -8.73 C 21.12 -11.66 C 8.78 -13.06 C 9.98 -10.88 C 12.50 -9.44 C 12.50 -13.78 C 13.78 -13.06 C 18.69 -11.63 O 17.48 -10.91 O 19.92 -9.54 C 21.14 -8.85 C 15.01 -9.44 C 16.26 -11.59 C 19.91 -10.94 C 15.01 -10.88 C 9.98 -13.78 C 11.24 -13.06 C 12.50 -10.88 C 13.78 -11.62 C 11.24 -11.62 29 1 -1 30 2 -1 3 24 2 4 23 1 28 5 -2 28 6 -1 31 7 -2 32 8 -2 9 23 2 10 25 2 11 14 1 12 15 1 12 16 1 13 17 1 13 24 1 14 26 1 15 28 1 16 32 1 17 30 1 18 19 1 18 29 1 19 31 1 20 21 1 20 26 1 21 25 1 22 23 1 26 22 -1 24 27 1 27 25 -2 27 31 1 28 29 1 29 32 1 30 31 1 30 32 1', '32 34 H 11.24 -14.03 H 12.50 -11.80 C:108 16.26 -8.73 C 21.14 -7.45 C:22 10.97 -14.83 C:33 8.96 -14.74 C:15 13.78 -10.19 C:16 11.24 -10.17 O 22.35 -9.56 O 16.26 -12.99 O 22.34 -10.97 C:19 8.78 -11.62 C:36 13.78 -8.73 C:61 21.12 -11.66 C:42 8.78 -13.06 C:40 9.98 -10.88 C:22 12.50 -9.44 C:19 12.50 -13.78 C:41 13.78 -13.06 C:62 18.69 -11.63 O 17.48 -10.91 O 19.92 -9.54 C 21.14 -8.85 C 15.01 -9.44 C 16.26 -11.59 C:72 19.91 -10.94 C:63 15.01 -10.88 C 9.98 -13.78 C:57 11.24 -13.06 C:59 12.50 -10.88 C 13.78 -11.62 C 11.24 -11.62 29 1 -1 30 2 -1 3 24 2 4 23 1 28 5 -2 28 6 -1 31 7 -2 32 8 -2 9 23 2 10 25 2 11 14 1 12 15 1 12 16 1 13 17 1 13 24 1 14 26 1 15 28 1 16 32 1 17 30 1 18 19 1 18 29 1 19 31 1 20 21 1 20 26 1 21 25 1 22 23 1 26 22 -1 24 27 1 27 25 -2 27 31 1 28 29 1 29 32 1 30 31 1 30 32 1', 'C25H40O5', 420.28, 'C', 'np99_269_2', 713, '', '', '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
(6985, 'Anisodorin 3', '', 'Terpenoids', 'Diterpenoids', 'Isocopalanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])[C@@H:14]([C:15](=O)O[CH2:15001][C@@H:15002](O)[CH2:15003]O[C:15301]([CH3:15302])=O)[C@@:13]([CH3:16])(O)[CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@]1(C)[C@@H](C(=O)OC[C@@H](O)COC(C)=O)[C@@](C)(O)CC[C@@]1([H])[C@]2(C)CCC[C@]3(C)C', '[H][C@:57]23[CH2:18][CH2:42][C@:39]1([CH3:17])[C@@H:64]([C:175](=O)O[CH2:65][C@@H:68](O)[CH2:65]O[C:171]([CH3:21])=O)[C@@:70]([CH3:31])(O)[CH2:40][CH2:17][C@@:60]1([H])[C@:38]2([CH3:16])[CH2:40][CH2:19][CH2:42][C@:33]3([CH3:21])[CH3:33]', '33 35 H 10.02 -13.65 H 11.28 -11.42 C:15302 23.56 -10.63 C:18 9.75 -14.45 C:19 7.74 -14.36 C:16 14.48 -7.84 C:17 12.56 -9.81 C:20 10.02 -9.79 O 22.32 -12.71 O 15.04 -12.61 O 18.72 -9.15 O 15.19 -9.07 C:2 7.56 -11.24 C:15003 19.92 -11.28 C:15001 17.48 -11.25 C:3 7.56 -12.68 C:1 8.75 -10.50 C:12 12.56 -8.35 C:11 11.28 -9.05 C:6 11.28 -13.40 C:7 12.56 -12.68 O 21.14 -10.59 O 16.27 -10.53 C:15301 22.34 -11.31 C:15 15.04 -11.21 C:15002 18.71 -10.56 C:14 13.79 -10.50 C:4 8.75 -13.40 C:13 13.79 -9.05 C:5 10.02 -12.68 C:9 11.28 -10.50 C:8 12.56 -11.24 C:10 10.02 -11.24 30 1 -1 31 2 -1 3 24 1 28 4 -2 28 5 -1 29 6 -1 32 7 -2 33 8 -2 9 24 2 10 25 2 26 11 -1 29 12 -2 13 16 1 13 17 1 14 22 1 14 26 1 15 23 1 15 26 1 16 28 1 17 33 1 18 19 1 18 29 1 19 31 1 20 21 1 20 30 1 21 32 1 22 24 1 23 25 1 27 25 -2 27 29 1 27 32 1 28 30 1 30 33 1 31 32 1 31 33 1', '33 35 H 10.02 -13.65 H 11.28 -11.42 C 23.56 -10.63 C 9.75 -14.45 C 7.74 -14.36 C 14.48 -7.84 C 12.56 -9.81 C 10.02 -9.79 O 22.32 -12.71 O 15.04 -12.61 O 18.72 -9.15 O 15.19 -9.07 C 7.56 -11.24 C 19.92 -11.28 C 17.48 -11.25 C 7.56 -12.68 C 8.75 -10.50 C 12.56 -8.35 C 11.28 -9.05 C 11.28 -13.40 C 12.56 -12.68 O 21.14 -10.59 O 16.27 -10.53 C 22.34 -11.31 C 15.04 -11.21 C 18.71 -10.56 C 13.79 -10.50 C 8.75 -13.40 C 13.79 -9.05 C 10.02 -12.68 C 11.28 -10.50 C 12.56 -11.24 C 10.02 -11.24 30 1 -1 31 2 -1 3 24 1 28 4 -2 28 5 -1 29 6 -1 32 7 -2 33 8 -2 9 24 2 10 25 2 26 11 -1 29 12 -2 13 16 1 13 17 1 14 22 1 14 26 1 15 23 1 15 26 1 16 28 1 17 33 1 18 19 1 18 29 1 19 31 1 20 21 1 20 30 1 21 32 1 22 24 1 23 25 1 27 25 -2 27 29 1 27 32 1 28 30 1 30 33 1 31 32 1 31 33 1', '33 35 H 10.02 -13.65 H 11.28 -11.42 C:21 23.56 -10.63 C:21 9.75 -14.45 C:33 7.74 -14.36 C:31 14.48 -7.84 C:17 12.56 -9.81 C:16 10.02 -9.79 O 22.32 -12.71 O 15.04 -12.61 O 18.72 -9.15 O 15.19 -9.07 C:19 7.56 -11.24 C:65 19.92 -11.28 C:65 17.48 -11.25 C:42 7.56 -12.68 C:40 8.75 -10.50 C:40 12.56 -8.35 C:17 11.28 -9.05 C:18 11.28 -13.40 C:42 12.56 -12.68 O 21.14 -10.59 O 16.27 -10.53 C:171 22.34 -11.31 C:175 15.04 -11.21 C:68 18.71 -10.56 C:64 13.79 -10.50 C:33 8.75 -13.40 C:70 13.79 -9.05 C:57 10.02 -12.68 C:60 11.28 -10.50 C:39 12.56 -11.24 C:38 10.02 -11.24 30 1 -1 31 2 -1 3 24 1 28 4 -2 28 5 -1 29 6 -1 32 7 -2 33 8 -2 9 24 2 10 25 2 26 11 -1 29 12 -2 13 16 1 13 17 1 14 22 1 14 26 1 15 23 1 15 26 1 16 28 1 17 33 1 18 19 1 18 29 1 19 31 1 20 21 1 20 30 1 21 32 1 22 24 1 23 25 1 27 25 -2 27 29 1 27 32 1 28 30 1 30 33 1 31 32 1 31 33 1', 'C25H42O6', 438.28, 'C', 'np99_269_3', 713, '', '', '1', 1, NULL, NULL),
(6986, 'Anisodorin 4', '', 'Terpenoids', 'Diterpenoids', 'Isocopalanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])[C@@H:14]([C:15](=O)O[CH2:15001][C@H:15002]([CH2:15003]O)O[C:15201]([CH3:15202])=O)[C@@:13]([CH3:16])(O)[CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@]23CC[C@]1(C)[C@@H](C(=O)OC[C@H](CO)OC(C)=O)[C@@](C)(O)CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C', '[H][C@:57]23[CH2:18][CH2:42][C@:9999]1([CH3:17])[C@@H:64]([C:9999](=O)O[CH2:62][C@H:72]([CH2:62]O)O[C:9999]([CH3:21])=O)[C@@:9999]([CH3:31])(O)[CH2:40][CH2:17][C@@:60]1([H])[C@:9999]2([CH3:16])[CH2:40][CH2:19][CH2:42][C@@:9999]3([CH3:33])[CH3:21]', '33 35 H 11.25 -14.04 H 12.51 -11.81 C:15202 21.15 -7.45 C:19 8.96 -14.75 C:18 10.98 -14.84 C:16 15.71 -8.22 C:17 13.79 -10.20 C:20 11.25 -10.18 O 22.36 -9.57 O 16.27 -13.00 O 22.35 -10.98 O 16.42 -9.46 C:2 8.78 -11.63 C:15003 21.13 -11.67 C:15001 18.70 -11.64 C:3 8.78 -13.07 C:1 9.99 -10.89 C:12 13.79 -8.73 C:11 12.51 -9.44 C:6 12.51 -13.79 C:7 13.79 -13.07 O 17.49 -10.92 O 19.93 -9.55 C:15201 21.15 -8.85 C:15 16.27 -11.60 C:15002 19.92 -10.95 C:14 15.02 -10.89 C:4 9.99 -13.79 C:13 15.02 -9.44 C:5 11.25 -13.07 C:9 12.51 -10.89 C:8 13.79 -11.63 C:10 11.25 -11.63 30 1 -1 31 2 -1 3 24 1 28 4 -1 28 5 -2 29 6 -1 32 7 -2 33 8 -2 9 24 2 10 25 2 11 14 1 29 12 -2 13 16 1 13 17 1 14 26 1 15 22 1 15 26 1 16 28 1 17 33 1 18 19 1 18 29 1 19 31 1 20 21 1 20 30 1 21 32 1 22 25 1 23 24 1 26 23 -1 27 25 -2 27 29 1 27 32 1 28 30 1 30 33 1 31 32 1 31 33 1', '33 35 H 11.25 -14.04 H 12.51 -11.81 C 21.15 -7.45 C 8.96 -14.75 C 10.98 -14.84 C 15.71 -8.22 C 13.79 -10.20 C 11.25 -10.18 O 22.36 -9.57 O 16.27 -13.00 O 22.35 -10.98 O 16.42 -9.46 C 8.78 -11.63 C 21.13 -11.67 C 18.70 -11.64 C 8.78 -13.07 C 9.99 -10.89 C 13.79 -8.73 C 12.51 -9.44 C 12.51 -13.79 C 13.79 -13.07 O 17.49 -10.92 O 19.93 -9.55 C 21.15 -8.85 C 16.27 -11.60 C 19.92 -10.95 C 15.02 -10.89 C 9.99 -13.79 C 15.02 -9.44 C 11.25 -13.07 C 12.51 -10.89 C 13.79 -11.63 C 11.25 -11.63 30 1 -1 31 2 -1 3 24 1 28 4 -1 28 5 -2 29 6 -1 32 7 -2 33 8 -2 9 24 2 10 25 2 11 14 1 29 12 -2 13 16 1 13 17 1 14 26 1 15 22 1 15 26 1 16 28 1 17 33 1 18 19 1 18 29 1 19 31 1 20 21 1 20 30 1 21 32 1 22 25 1 23 24 1 26 23 -1 27 25 -2 27 29 1 27 32 1 28 30 1 30 33 1 31 32 1 31 33 1', '33 35 H 11.25 -14.04 H 12.51 -11.81 C:21 21.15 -7.45 C:33 8.96 -14.75 C:21 10.98 -14.84 C:31 15.71 -8.22 C:17 13.79 -10.20 C:16 11.25 -10.18 O 22.36 -9.57 O 16.27 -13.00 O 22.35 -10.98 O 16.42 -9.46 C:19 8.78 -11.63 C:62 21.13 -11.67 C:62 18.70 -11.64 C:42 8.78 -13.07 C:40 9.99 -10.89 C:40 13.79 -8.73 C:17 12.51 -9.44 C:18 12.51 -13.79 C:42 13.79 -13.07 O 17.49 -10.92 O 19.93 -9.55 C 21.15 -8.85 C 16.27 -11.60 C:72 19.92 -10.95 C:64 15.02 -10.89 C 9.99 -13.79 C 15.02 -9.44 C:57 11.25 -13.07 C:60 12.51 -10.89 C 13.79 -11.63 C 11.25 -11.63 30 1 -1 31 2 -1 3 24 1 28 4 -1 28 5 -2 29 6 -1 32 7 -2 33 8 -2 9 24 2 10 25 2 11 14 1 29 12 -2 13 16 1 13 17 1 14 26 1 15 22 1 15 26 1 16 28 1 17 33 1 18 19 1 18 29 1 19 31 1 20 21 1 20 30 1 21 32 1 22 25 1 23 24 1 26 23 -1 27 25 -2 27 29 1 27 32 1 28 30 1 30 33 1 31 32 1 31 33 1', 'C25H42O6', 438.28, 'C', 'np99_269_4', 713, '', '', '1', 1, NULL, NULL),
(6987, 'Anisodorin 5', '', 'Terpenoids', 'Diterpenoids', 'Isocopalanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])[C@@H:14]([CH2:15]O[C:15001]([CH3:15002])=O)[C@@:13](O)([CH2:16]O[C:16001]([CH3:16002])=O)[CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@]23CC[C@]1(C)[C@@H](COC(C)=O)[C@@](O)(COC(C)=O)CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C', '[H][C@:56]23[CH2:19][CH2:41][C@:38]1([CH3:17])[C@@H:60]([CH2:62]O[C:171]([CH3:21])=O)[C@@:73](O)([CH2:67]O[C:171]([CH3:21])=O)[CH2:38][CH2:19][C@@:60]1([H])[C@:38]2([CH3:16])[CH2:40][CH2:18][CH2:42][C@@:33]3([CH3:33])[CH3:21]', '31 33 H 12.46 -14.86 H 13.72 -12.63 C:15002 21.12 -11.77 C:16002 20.40 -7.79 C:19 10.19 -15.56 C:18 12.19 -15.65 C:17 15.01 -11.03 C:20 12.46 -11.01 O 19.91 -13.86 O 18.29 -6.61 O 17.62 -10.80 C:2 10.01 -12.45 C:15 17.47 -12.42 C:3 10.01 -13.89 C:1 11.21 -11.71 C:6 13.72 -14.61 C:11 13.72 -10.28 C:7 15.01 -13.89 C:12 15.01 -9.57 C:16 16.91 -9.06 O 18.70 -11.74 O 18.31 -9.05 C:15001 19.91 -12.46 C:16001 19.00 -7.81 C:14 16.22 -11.71 C:4 11.21 -14.61 C:5 12.46 -13.89 C:9 13.72 -11.71 C:8 15.01 -12.45 C:13 16.22 -10.28 C:10 12.46 -12.45 27 1 -1 28 2 -1 3 23 1 4 24 1 26 5 -1 26 6 -2 29 7 -2 31 8 -2 9 23 2 10 24 2 30 11 -1 12 14 1 12 15 1 13 21 1 25 13 -2 14 26 1 15 31 1 16 18 1 16 27 1 17 19 1 17 28 1 18 29 1 19 30 1 20 22 1 30 20 -2 21 23 1 22 24 1 25 29 1 25 30 1 26 27 1 27 31 1 28 29 1 28 31 1', '31 33 H 12.46 -14.86 H 13.72 -12.63 C 21.12 -11.77 C 20.40 -7.79 C 10.19 -15.56 C 12.19 -15.65 C 15.01 -11.03 C 12.46 -11.01 O 19.91 -13.86 O 18.29 -6.61 O 17.62 -10.80 C 10.01 -12.45 C 17.47 -12.42 C 10.01 -13.89 C 11.21 -11.71 C 13.72 -14.61 C 13.72 -10.28 C 15.01 -13.89 C 15.01 -9.57 C 16.91 -9.06 O 18.70 -11.74 O 18.31 -9.05 C 19.91 -12.46 C 19.00 -7.81 C 16.22 -11.71 C 11.21 -14.61 C 12.46 -13.89 C 13.72 -11.71 C 15.01 -12.45 C 16.22 -10.28 C 12.46 -12.45 27 1 -1 28 2 -1 3 23 1 4 24 1 26 5 -1 26 6 -2 29 7 -2 31 8 -2 9 23 2 10 24 2 30 11 -1 12 14 1 12 15 1 13 21 1 25 13 -2 14 26 1 15 31 1 16 18 1 16 27 1 17 19 1 17 28 1 18 29 1 19 30 1 20 22 1 30 20 -2 21 23 1 22 24 1 25 29 1 25 30 1 26 27 1 27 31 1 28 29 1 28 31 1', '31 33 H 12.46 -14.86 H 13.72 -12.63 C:21 21.12 -11.77 C:21 20.40 -7.79 C:33 10.19 -15.56 C:21 12.19 -15.65 C:17 15.01 -11.03 C:16 12.46 -11.01 O 19.91 -13.86 O 18.29 -6.61 O 17.62 -10.80 C:18 10.01 -12.45 C:62 17.47 -12.42 C:42 10.01 -13.89 C:40 11.21 -11.71 C:19 13.72 -14.61 C:19 13.72 -10.28 C:41 15.01 -13.89 C:38 15.01 -9.57 C:67 16.91 -9.06 O 18.70 -11.74 O 18.31 -9.05 C:171 19.91 -12.46 C:171 19.00 -7.81 C:60 16.22 -11.71 C:33 11.21 -14.61 C:56 12.46 -13.89 C:60 13.72 -11.71 C:38 15.01 -12.45 C:73 16.22 -10.28 C:38 12.46 -12.45 27 1 -1 28 2 -1 3 23 1 4 24 1 26 5 -1 26 6 -2 29 7 -2 31 8 -2 9 23 2 10 24 2 30 11 -1 12 14 1 12 15 1 13 21 1 25 13 -2 14 26 1 15 31 1 16 18 1 16 27 1 17 19 1 17 28 1 18 29 1 19 30 1 20 22 1 30 20 -2 21 23 1 22 24 1 25 29 1 25 30 1 26 27 1 27 31 1 28 29 1 28 31 1', 'C24H40O5', 408.27, 'C', 'np99_269_5', 713, '', '', '1', 1, NULL, NULL),
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(7000, 'Cyperenoic acid methyl ester', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[CH3:15001]O[C:15](=O)[C:4]2=[C:5]1[CH2:6][C@@H:7]3[CH2:8][CH2:9][C@@H:10]([CH3:14])[C@:1]1([CH2:2][CH2:3]2)[C:11]3([CH3:13])[CH3:12]', 'COC(=O)C2=C1C[C@@H]3CC[C@@H](C)[C@]1(CC2)C3(C)C', '[CH3:51]O[C:166](=O)[C:123]2=[C:169]1[CH2:31][C@@H:48]3[CH2:27][CH2:28][C@@H:36]([CH3:18])[C@:68]1([CH2:26][CH2:37]2)[C:42]3([CH3:19])[CH3:26]', '18 20 C:15001 11.64 -13.71 C:14 17.90 -8.24 C:13 17.18 -12.12 C:12 18.58 -10.39 O 14.58 -14.04 C:3 14.38 -10.33 C:9 19.18 -10.26 C:8 19.50 -11.62 C:2 15.50 -9.45 C:6 17.21 -12.72 O 12.61 -12.75 C:15 14.01 -12.76 C:4 14.84 -11.64 C:5 16.34 -11.64 C:10 17.90 -9.63 C:7 18.61 -12.72 C:11 18.00 -11.39 C:1 16.65 -10.26 1 11 1 15 2 -2 3 17 1 4 17 1 5 12 2 6 9 1 6 13 1 7 8 1 7 15 1 8 16 1 9 18 1 10 14 1 10 16 1 11 12 1 12 13 1 13 14 2 14 18 1 15 18 1 16 17 -1 18 17 -1', '18 20 C 11.64 -13.71 C 17.90 -8.24 C 17.18 -12.12 C 18.58 -10.39 O 14.58 -14.04 C 14.38 -10.33 C 19.18 -10.26 C 19.50 -11.62 C 15.50 -9.45 C 17.21 -12.72 O 12.61 -12.75 C 14.01 -12.76 C 14.84 -11.64 C 16.34 -11.64 C 17.90 -9.63 C 18.61 -12.72 C 18.00 -11.39 C 16.65 -10.26 1 11 1 15 2 -2 3 17 1 4 17 1 5 12 2 6 9 1 6 13 1 7 8 1 7 15 1 8 16 1 9 18 1 10 14 1 10 16 1 11 12 1 12 13 1 13 14 2 14 18 1 15 18 1 16 17 -1 18 17 -1', '18 20 C:51 11.64 -13.71 C:18 17.90 -8.24 C:19 17.18 -12.12 C:26 18.58 -10.39 O 14.58 -14.04 C:37 14.38 -10.33 C:28 19.18 -10.26 C:27 19.50 -11.62 C:26 15.50 -9.45 C:31 17.21 -12.72 O 12.61 -12.75 C:166 14.01 -12.76 C:123 14.84 -11.64 C:169 16.34 -11.64 C:36 17.90 -9.63 C:48 18.61 -12.72 C:42 18.00 -11.39 C:68 16.65 -10.26 1 11 1 15 2 -2 3 17 1 4 17 1 5 12 2 6 9 1 6 13 1 7 8 1 7 15 1 8 16 1 9 18 1 10 14 1 10 16 1 11 12 1 12 13 1 13 14 2 14 18 1 15 18 1 16 17 -1 18 17 -1', 'C16H24O2', 248.17, 'C', 'ph_45_149_5', 16, '', '', '1', 1, NULL, NULL),
(7001, '4-Hydroxy-10-epirotundone', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[CH2:12]=[C:11]([CH3:13])[C@@H:7]1[CH2:8][CH2:9][C@@H:10]([CH3:14])[C:1]2=[C:5]([CH2:6]1)[C@:4]([CH3:15])(O)[CH2:3][C:2]2=O', 'C=C(C)[C@@H]1CC[C@@H](C)C2=C(C1)[C@](C)(O)CC2=O', '[CH2:110]=[C:150]([CH3:20])[C@@H:45]1[CH2:29][CH2:29][C@@H:28]([CH3:18])[C:146]2=[C:174]([CH2:28]1)[C@:76]([CH3:27])(O)[CH2:51][C:204]2=O', '17 18 C:12 16.98 -14.67 C:13 19.11 -13.51 C:14 16.43 -7.78 C:15 12.08 -11.64 O 14.06 -7.60 O 13.40 -12.57 C:9 17.70 -9.79 C:8 18.01 -11.15 C:6 15.75 -12.24 C:3 12.93 -9.86 C:11 17.72 -13.50 C:2 14.05 -8.99 C:5 14.89 -11.17 C:1 15.20 -9.79 C:10 16.43 -9.17 C:7 17.14 -12.24 C:4 13.40 -11.17 1 11 2 2 11 1 15 3 -2 17 4 -1 5 12 2 17 6 -2 7 8 1 7 15 1 8 16 1 9 13 1 9 16 1 10 12 1 10 17 1 16 11 -1 12 14 1 13 14 2 13 17 1 14 15 1', '17 18 C 16.98 -14.67 C 19.11 -13.51 C 16.43 -7.78 C 12.08 -11.64 O 14.06 -7.60 O 13.40 -12.57 C 17.70 -9.79 C 18.01 -11.15 C 15.75 -12.24 C 12.93 -9.86 C 17.72 -13.50 C 14.05 -8.99 C 14.89 -11.17 C 15.20 -9.79 C 16.43 -9.17 C 17.14 -12.24 C 13.40 -11.17 1 11 2 2 11 1 15 3 -2 17 4 -1 5 12 2 17 6 -2 7 8 1 7 15 1 8 16 1 9 13 1 9 16 1 10 12 1 10 17 1 16 11 -1 12 14 1 13 14 2 13 17 1 14 15 1', '17 18 C:110 16.98 -14.67 C:20 19.11 -13.51 C:18 16.43 -7.78 C:27 12.08 -11.64 O 14.06 -7.60 O 13.40 -12.57 C:29 17.70 -9.79 C:29 18.01 -11.15 C:28 15.75 -12.24 C:51 12.93 -9.86 C:150 17.72 -13.50 C:204 14.05 -8.99 C:174 14.89 -11.17 C:146 15.20 -9.79 C:28 16.43 -9.17 C:45 17.14 -12.24 C:76 13.40 -11.17 1 11 2 2 11 1 15 3 -2 17 4 -1 5 12 2 17 6 -2 7 8 1 7 15 1 8 16 1 9 13 1 9 16 1 10 12 1 10 17 1 16 11 -1 12 14 1 13 14 2 13 17 1 14 15 1', 'C15H22O2', 234.159, 'C', 'ph_45_149_6', 16, '', '', '1', 1, NULL, NULL),
(7002, 'Pacificin A', '', 'Terpenoids', 'Diterpenoids', 'Prenylbiclyclogermacranes', '[H][C@:10]23[CH2:11][CH2:12][C@:13]([CH3:20])(O)[C@@:14]1([H])[CH2:15][C@:16]1([H])[C@@:6]([CH3:18])([CH2:5][CH2:4][CH:3]=[C:2]([CH3:17])[CH3:1])[CH2:7][CH2:8][C@:9]2([CH3:19])O3', '[H][C@]23CC[C@](C)(O)[C@@]1([H])C[C@]1([H])[C@@](C)(CCC=C(C)C)CC[C@]2(C)O3', '[H][C@:66]23[CH2:24][CH2:42][C@:73]([CH3:21])(O)[C@@:29]1([H])[CH2:4][C@:27]1([H])[C@@:35]([CH3:19])([CH2:47][CH2:22][CH:125]=[C:131]([CH3:18])[CH3:26])[CH2:37][CH2:35][C@:62]2([CH3:17])O3', '25 27 H 17.14 -12.29 H 18.38 -9.97 H 16.35 -12.29 C:17 10.36 -9.59 C:1 10.36 -7.05 C:20 20.06 -10.32 C:18 16.24 -9.59 C:19 15.50 -15.26 O 20.80 -11.61 C:3 12.57 -8.32 C:4 13.30 -9.59 C:12 19.31 -13.07 C:5 14.77 -9.59 C:11 18.03 -13.79 C:7 14.23 -11.60 C:8 14.23 -13.07 C:15 16.78 -10.13 O 16.78 -14.48 C:2 11.10 -8.32 C:13 19.31 -11.60 C:10 16.78 -13.07 C:6 15.50 -10.86 C:14 18.03 -10.86 C:16 16.78 -11.60 C:9 15.50 -13.79 21 1 -1 23 2 -1 24 3 -2 4 19 1 5 19 1 20 6 -2 22 7 -1 25 8 -2 20 9 -1 10 11 1 10 19 2 11 13 1 12 14 1 12 20 1 22 13 -2 14 21 1 15 16 1 15 22 1 16 25 1 17 23 1 17 24 1 18 21 1 18 25 1 20 23 1 21 25 1 22 24 1 23 24 1', '25 27 H 17.14 -12.29 H 18.38 -9.97 H 16.35 -12.29 C 10.36 -9.59 C 10.36 -7.05 C 20.06 -10.32 C 16.24 -9.59 C 15.50 -15.26 O 20.80 -11.61 C 12.57 -8.32 C 13.30 -9.59 C 19.31 -13.07 C 14.77 -9.59 C 18.03 -13.79 C 14.23 -11.60 C 14.23 -13.07 C 16.78 -10.13 O 16.78 -14.48 C 11.10 -8.32 C 19.31 -11.60 C 16.78 -13.07 C 15.50 -10.86 C 18.03 -10.86 C 16.78 -11.60 C 15.50 -13.79 21 1 -1 23 2 -1 24 3 -2 4 19 1 5 19 1 20 6 -2 22 7 -1 25 8 -2 20 9 -1 10 11 1 10 19 2 11 13 1 12 14 1 12 20 1 22 13 -2 14 21 1 15 16 1 15 22 1 16 25 1 17 23 1 17 24 1 18 21 1 18 25 1 20 23 1 21 25 1 22 24 1 23 24 1', '25 27 H 17.14 -12.29 H 18.38 -9.97 H 16.35 -12.29 C:18 10.36 -9.59 C:26 10.36 -7.05 C:21 20.06 -10.32 C:19 16.24 -9.59 C:17 15.50 -15.26 O 20.80 -11.61 C:125 12.57 -8.32 C:22 13.30 -9.59 C:42 19.31 -13.07 C:47 14.77 -9.59 C:24 18.03 -13.79 C:37 14.23 -11.60 C:35 14.23 -13.07 C:4 16.78 -10.13 O 16.78 -14.48 C:131 11.10 -8.32 C:73 19.31 -11.60 C:66 16.78 -13.07 C:35 15.50 -10.86 C:29 18.03 -10.86 C:27 16.78 -11.60 C:62 15.50 -13.79 21 1 -1 23 2 -1 24 3 -2 4 19 1 5 19 1 20 6 -2 22 7 -1 25 8 -2 20 9 -1 10 11 1 10 19 2 11 13 1 12 14 1 12 20 1 22 13 -2 14 21 1 15 16 1 15 22 1 16 25 1 17 23 1 17 24 1 18 21 1 18 25 1 20 23 1 21 25 1 22 24 1 23 24 1', 'C20H34O2', 306.237, 'C', 'np05_74_1', 576, '', '', '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
(7004, 'Pacificin C', '', 'Terpenoids', 'Diterpenoids', 'Prenylbiclyclogermacranes', '[H][C@:10]23[CH2:11][CH2:12][C@:13]([CH3:20])(O)[C@@:14]1([H])[CH2:15][C@:16]1([H])[C@@:6]([CH3:18])([CH2:5][CH:4]=[CH:3][C:2]([CH3:17])([CH3:1])OO)[CH2:7][CH2:8][C@:9]2([CH3:19])O3', '[H][C@]23CC[C@](C)(O)[C@@]1([H])C[C@]1([H])[C@@](C)(CC=CC(C)(C)OO)CC[C@]2(C)O3', '[H][C@:66]23[CH2:24][CH2:42][C@:73]([CH3:21])(O)[C@@:29]1([H])[CH2:4][C@:28]1([H])[C@@:36]([CH3:20])([CH2:49][CH:127]=[CH:137][C:82]([CH3:25])([CH3:25])OO)[CH2:37][CH2:35][C@:62]2([CH3:17])O3', '27 29 H 17.48 -12.29 H 18.72 -9.97 H 16.69 -12.29 C:17 10.70 -9.59 C:1 10.70 -7.05 C:20 20.40 -10.32 C:18 16.58 -9.59 C:19 15.84 -15.26 O 9.34 -7.11 O 21.14 -11.61 C:4 13.64 -9.59 C:3 12.91 -8.32 C:5 15.11 -9.59 C:12 19.65 -13.07 C:11 18.37 -13.79 C:7 14.57 -11.60 C:8 14.57 -13.07 C:15 17.12 -10.13 O 10.04 -8.32 O 17.12 -14.48 C:2 11.44 -8.32 C:13 19.65 -11.60 C:10 17.12 -13.07 C:6 15.84 -10.86 C:14 18.37 -10.86 C:16 17.12 -11.60 C:9 15.84 -13.79 23 1 -1 25 2 -1 26 3 -2 4 21 1 5 21 1 22 6 -2 24 7 -1 27 8 -2 9 19 1 22 10 -1 11 12 2 11 13 1 12 21 1 24 13 -2 14 15 1 14 22 1 15 23 1 16 17 1 16 24 1 17 27 1 18 25 1 18 26 1 19 21 1 20 23 1 20 27 1 22 25 1 23 27 1 24 26 1 25 26 1', '27 29 H 17.48 -12.29 H 18.72 -9.97 H 16.69 -12.29 C 10.70 -9.59 C 10.70 -7.05 C 20.40 -10.32 C 16.58 -9.59 C 15.84 -15.26 O 9.34 -7.11 O 21.14 -11.61 C 13.64 -9.59 C 12.91 -8.32 C 15.11 -9.59 C 19.65 -13.07 C 18.37 -13.79 C 14.57 -11.60 C 14.57 -13.07 C 17.12 -10.13 O 10.04 -8.32 O 17.12 -14.48 C 11.44 -8.32 C 19.65 -11.60 C 17.12 -13.07 C 15.84 -10.86 C 18.37 -10.86 C 17.12 -11.60 C 15.84 -13.79 23 1 -1 25 2 -1 26 3 -2 4 21 1 5 21 1 22 6 -2 24 7 -1 27 8 -2 9 19 1 22 10 -1 11 12 2 11 13 1 12 21 1 24 13 -2 14 15 1 14 22 1 15 23 1 16 17 1 16 24 1 17 27 1 18 25 1 18 26 1 19 21 1 20 23 1 20 27 1 22 25 1 23 27 1 24 26 1 25 26 1', '27 29 H 17.48 -12.29 H 18.72 -9.97 H 16.69 -12.29 C:25 10.70 -9.59 C:25 10.70 -7.05 C:21 20.40 -10.32 C:20 16.58 -9.59 C:17 15.84 -15.26 O 9.34 -7.11 O 21.14 -11.61 C:127 13.64 -9.59 C:137 12.91 -8.32 C:49 15.11 -9.59 C:42 19.65 -13.07 C:24 18.37 -13.79 C:37 14.57 -11.60 C:35 14.57 -13.07 C:4 17.12 -10.13 O 10.04 -8.32 O 17.12 -14.48 C:82 11.44 -8.32 C:73 19.65 -11.60 C:66 17.12 -13.07 C:36 15.84 -10.86 C:29 18.37 -10.86 C:28 17.12 -11.60 C:62 15.84 -13.79 23 1 -1 25 2 -1 26 3 -2 4 21 1 5 21 1 22 6 -2 24 7 -1 27 8 -2 9 19 1 22 10 -1 11 12 2 11 13 1 12 21 1 24 13 -2 14 15 1 14 22 1 15 23 1 16 17 1 16 24 1 17 27 1 18 25 1 18 26 1 19 21 1 20 23 1 20 27 1 22 25 1 23 27 1 24 26 1 25 26 1', 'C20H34O4', 338.235, 'C', 'np05_74_3', 576, '', '', '1', 1, NULL, NULL),
(7005, 'Pacificin D', '', 'Terpenoids', 'Diterpenoids', 'Prenylbiclyclogermacranes', '[H][C@:10]23[CH2:11][CH2:12][C@:13]([CH3:20])(O)[C@@:14]1([H])[CH2:15][C@:16]1([H])[C@@:6]([CH3:18])([CH2:5][CH2:4][CH:3](O)[C:2](=[CH2:1])[CH3:17])[CH2:7][CH2:8][C@:9]2([CH3:19])O3', '[H][C@]23CC[C@](C)(O)[C@@]1([H])C[C@]1([H])[C@@](C)(CCC(O)C(=C)C)CC[C@]2(C)O3', '[H][C@:66]23[CH2:24][CH2:42][C@:73]([CH3:21])(O)[C@@:29]1([H])[CH2:4][C@:27]1([H])[C@@:34]([CH3:20])([CH2:42][CH2:30][CH:77](O)[C:147](=[CH2:112])[CH3:17])[CH2:37][CH2:35][C@:62]2([CH3:17])O3', '26 28 H 17.15 -12.29 H 18.39 -9.97 H 16.36 -12.29 C:1 10.37 -7.05 C:17 10.37 -9.59 C:20 20.07 -10.32 C:18 16.25 -9.59 C:19 15.51 -15.26 O 13.28 -7.11 O 20.81 -11.61 C:4 13.31 -9.59 C:11 18.04 -13.79 C:12 19.32 -13.07 C:5 14.78 -9.59 C:7 14.24 -11.60 C:8 14.24 -13.07 C:15 16.79 -10.13 O 16.79 -14.48 C:2 11.11 -8.32 C:3 12.58 -8.32 C:10 16.79 -13.07 C:13 19.32 -11.60 C:14 18.04 -10.86 C:16 16.79 -11.60 C:6 15.51 -10.86 C:9 15.51 -13.79 21 1 -1 23 2 -1 24 3 -2 4 19 2 5 19 1 22 6 -2 25 7 -1 26 8 -2 9 20 1 22 10 -1 11 14 1 11 20 1 12 13 1 12 21 1 13 22 1 25 14 -2 15 16 1 15 25 1 16 26 1 17 23 1 17 24 1 18 21 1 18 26 1 19 20 1 21 26 1 22 23 1 23 24 1 24 25 1', '26 28 H 17.15 -12.29 H 18.39 -9.97 H 16.36 -12.29 C 10.37 -7.05 C 10.37 -9.59 C 20.07 -10.32 C 16.25 -9.59 C 15.51 -15.26 O 13.28 -7.11 O 20.81 -11.61 C 13.31 -9.59 C 18.04 -13.79 C 19.32 -13.07 C 14.78 -9.59 C 14.24 -11.60 C 14.24 -13.07 C 16.79 -10.13 O 16.79 -14.48 C 11.11 -8.32 C 12.58 -8.32 C 16.79 -13.07 C 19.32 -11.60 C 18.04 -10.86 C 16.79 -11.60 C 15.51 -10.86 C 15.51 -13.79 21 1 -1 23 2 -1 24 3 -2 4 19 2 5 19 1 22 6 -2 25 7 -1 26 8 -2 9 20 1 22 10 -1 11 14 1 11 20 1 12 13 1 12 21 1 13 22 1 25 14 -2 15 16 1 15 25 1 16 26 1 17 23 1 17 24 1 18 21 1 18 26 1 19 20 1 21 26 1 22 23 1 23 24 1 24 25 1', '26 28 H 17.15 -12.29 H 18.39 -9.97 H 16.36 -12.29 C:112 10.37 -7.05 C:17 10.37 -9.59 C:21 20.07 -10.32 C:20 16.25 -9.59 C:17 15.51 -15.26 O 13.28 -7.11 O 20.81 -11.61 C:30 13.31 -9.59 C:24 18.04 -13.79 C:42 19.32 -13.07 C:42 14.78 -9.59 C:37 14.24 -11.60 C:35 14.24 -13.07 C:4 16.79 -10.13 O 16.79 -14.48 C:147 11.11 -8.32 C:77 12.58 -8.32 C:66 16.79 -13.07 C:73 19.32 -11.60 C:29 18.04 -10.86 C:27 16.79 -11.60 C:34 15.51 -10.86 C:62 15.51 -13.79 21 1 -1 23 2 -1 24 3 -2 4 19 2 5 19 1 22 6 -2 25 7 -1 26 8 -2 9 20 1 22 10 -1 11 14 1 11 20 1 12 13 1 12 21 1 13 22 1 25 14 -2 15 16 1 15 25 1 16 26 1 17 23 1 17 24 1 18 21 1 18 26 1 19 20 1 21 26 1 22 23 1 23 24 1 24 25 1', 'C20H34O3', 322.236, 'C', 'np05_74_4', 576, '', '', '1', 1, NULL, NULL),
(7006, 'Pacificin E', '', 'Terpenoids', 'Diterpenoids', 'Prenylbiclyclogermacranes', '[H][C@:10]23[CH2:11][CH2:12][C@:13]([CH3:20])(O)[C@@:14]1([H])[CH2:15][C@:16]1([H])[C@@:6]([CH3:18])([CH2:5][CH2:4][CH:3](OO)[C:2](=[CH2:1])[CH3:17])[CH2:7][CH2:8][C@:9]2([CH3:19])O3', '[H][C@]23CC[C@](C)(O)[C@@]1([H])C[C@]1([H])[C@@](C)(CCC(OO)C(=C)C)CC[C@]2(C)O3', '[H][C@:66]23[CH2:24][CH2:42][C@:73]([CH3:21])(O)[C@@:29]1([H])[CH2:4][C@:27]1([H])[C@@:34]([CH3:20])([CH2:42][CH2:25][CH:90](OO)[C:143](=[CH2:115])[CH3:17])[CH2:37][CH2:35][C@:63]2([CH3:17])O3', '27 29 H 17.15 -12.29 H 18.39 -9.97 H 16.36 -12.29 C:1 10.37 -7.05 C:17 10.37 -9.59 C:20 20.07 -10.32 C:18 16.25 -9.59 C:19 15.51 -15.26 O 14.68 -7.11 O 20.82 -11.61 C:4 13.31 -9.59 C:11 18.04 -13.79 C:12 19.32 -13.07 C:5 14.78 -9.59 C:7 14.24 -11.60 C:8 14.24 -13.07 C:15 16.79 -10.13 O 13.28 -7.11 O 16.79 -14.48 C:2 11.11 -8.32 C:3 12.58 -8.32 C:10 16.79 -13.07 C:13 19.32 -11.60 C:14 18.04 -10.86 C:16 16.79 -11.60 C:6 15.51 -10.86 C:9 15.51 -13.79 22 1 -1 24 2 -1 25 3 -2 4 20 2 5 20 1 23 6 -2 26 7 -1 27 8 -2 9 18 1 23 10 -1 11 14 1 11 21 1 12 13 1 12 22 1 13 23 1 26 14 -2 15 16 1 15 26 1 16 27 1 17 24 1 17 25 1 18 21 1 19 22 1 19 27 1 20 21 1 22 27 1 23 24 1 24 25 1 25 26 1', '27 29 H 17.15 -12.29 H 18.39 -9.97 H 16.36 -12.29 C 10.37 -7.05 C 10.37 -9.59 C 20.07 -10.32 C 16.25 -9.59 C 15.51 -15.26 O 14.68 -7.11 O 20.82 -11.61 C 13.31 -9.59 C 18.04 -13.79 C 19.32 -13.07 C 14.78 -9.59 C 14.24 -11.60 C 14.24 -13.07 C 16.79 -10.13 O 13.28 -7.11 O 16.79 -14.48 C 11.11 -8.32 C 12.58 -8.32 C 16.79 -13.07 C 19.32 -11.60 C 18.04 -10.86 C 16.79 -11.60 C 15.51 -10.86 C 15.51 -13.79 22 1 -1 24 2 -1 25 3 -2 4 20 2 5 20 1 23 6 -2 26 7 -1 27 8 -2 9 18 1 23 10 -1 11 14 1 11 21 1 12 13 1 12 22 1 13 23 1 26 14 -2 15 16 1 15 26 1 16 27 1 17 24 1 17 25 1 18 21 1 19 22 1 19 27 1 20 21 1 22 27 1 23 24 1 24 25 1 25 26 1', '27 29 H 17.15 -12.29 H 18.39 -9.97 H 16.36 -12.29 C:115 10.37 -7.05 C:17 10.37 -9.59 C:21 20.07 -10.32 C:20 16.25 -9.59 C:17 15.51 -15.26 O 14.68 -7.11 O 20.82 -11.61 C:25 13.31 -9.59 C:24 18.04 -13.79 C:42 19.32 -13.07 C:42 14.78 -9.59 C:37 14.24 -11.60 C:35 14.24 -13.07 C:4 16.79 -10.13 O 13.28 -7.11 O 16.79 -14.48 C:143 11.11 -8.32 C:90 12.58 -8.32 C:66 16.79 -13.07 C:73 19.32 -11.60 C:29 18.04 -10.86 C:27 16.79 -11.60 C:34 15.51 -10.86 C:63 15.51 -13.79 22 1 -1 24 2 -1 25 3 -2 4 20 2 5 20 1 23 6 -2 26 7 -1 27 8 -2 9 18 1 23 10 -1 11 14 1 11 21 1 12 13 1 12 22 1 13 23 1 26 14 -2 15 16 1 15 26 1 16 27 1 17 24 1 17 25 1 18 21 1 19 22 1 19 27 1 20 21 1 22 27 1 23 24 1 24 25 1 25 26 1', 'C20H34O4', 338.235, 'C', 'np05_74_5', 576, '', '', '1', 1, NULL, NULL),
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(7019, 'Pseudolaric acid C2', '', 'Terpenoids', 'Diterpenoids', 'Sphenolobanes', '[H][C@@:9]13[CH2:8][CH2:7][C@:6]2([CH2:5][CH:4]=[C:3]([C:11](=O)O)[CH2:2][CH2:1][C@:10]12O[C:10001]([CH3:10002])=O)[C:12](=O)O[C@:13]3([CH3:14])[CH:15]=[CH:16][CH:17]=[C:18]([CH3:19])[C:20](=O)O', '[H][C@@]13CC[C@]2(CC=C(C(=O)O)CC[C@]12OC(C)=O)C(=O)O[C@]3(C)C=CC=C(C)C(=O)O', '[H][C@@:49]13[CH2:24][CH2:33][C@:55]2([CH2:28][CH:144]=[C:134]([C:173](=O)O)[CH2:20][CH2:31][C@:90]12O[C:169]([CH3:22])=O)[C:173](=O)O[C@:84]3([CH3:29])[CH:145]=[CH:122][CH:139]=[C:128]([CH3:13])[C:174](=O)O', '31 33 H 16.01 -11.38 C:10002 13.76 -9.21 C:19 21.10 -8.44 C:14 18.72 -11.27 O 12.74 -11.28 O 21.09 -5.63 O 10.07 -12.13 O 16.53 -16.63 O 18.67 -5.63 O 10.13 -14.58 C:16 18.67 -9.84 C:17 18.67 -8.45 C:4 12.67 -14.51 C:15 17.44 -10.61 C:2 12.67 -12.15 C:5 13.95 -14.79 C:1 13.95 -11.87 C:8 16.97 -13.33 C:7 16.21 -14.40 O 14.96 -11.29 O 18.16 -13.55 C:10001 13.76 -10.59 C:18 19.88 -7.74 C:20 19.88 -6.34 C:11 10.77 -13.33 C:12 16.53 -15.22 C:3 12.10 -13.33 C:13 17.44 -11.91 C:9 16.21 -12.28 C:6 14.96 -13.99 C:10 14.96 -12.67 29 1 -1 2 22 1 3 23 1 28 4 -2 5 22 2 6 24 2 7 25 2 8 26 2 9 24 1 10 25 1 11 12 1 11 14 2 12 23 2 13 16 1 13 27 2 28 14 -1 15 17 1 15 27 1 16 30 1 17 31 1 18 19 1 18 29 1 19 30 1 20 22 1 31 20 -1 21 26 1 21 28 1 23 24 1 25 27 1 30 26 -2 28 29 1 29 31 1 30 31 1', '31 33 H 16.01 -11.38 C 13.76 -9.21 C 21.10 -8.44 C 18.72 -11.27 O 12.74 -11.28 O 21.09 -5.63 O 10.07 -12.13 O 16.53 -16.63 O 18.67 -5.63 O 10.13 -14.58 C 18.67 -9.84 C 18.67 -8.45 C 12.67 -14.51 C 17.44 -10.61 C 12.67 -12.15 C 13.95 -14.79 C 13.95 -11.87 C 16.97 -13.33 C 16.21 -14.40 O 14.96 -11.29 O 18.16 -13.55 C 13.76 -10.59 C 19.88 -7.74 C 19.88 -6.34 C 10.77 -13.33 C 16.53 -15.22 C 12.10 -13.33 C 17.44 -11.91 C 16.21 -12.28 C 14.96 -13.99 C 14.96 -12.67 29 1 -1 2 22 1 3 23 1 28 4 -2 5 22 2 6 24 2 7 25 2 8 26 2 9 24 1 10 25 1 11 12 1 11 14 2 12 23 2 13 16 1 13 27 2 28 14 -1 15 17 1 15 27 1 16 30 1 17 31 1 18 19 1 18 29 1 19 30 1 20 22 1 31 20 -1 21 26 1 21 28 1 23 24 1 25 27 1 30 26 -2 28 29 1 29 31 1 30 31 1', '31 33 H 16.01 -11.38 C:22 13.76 -9.21 C:13 21.10 -8.44 C:29 18.72 -11.27 O 12.74 -11.28 O 21.09 -5.63 O 10.07 -12.13 O 16.53 -16.63 O 18.67 -5.63 O 10.13 -14.58 C:122 18.67 -9.84 C:139 18.67 -8.45 C:144 12.67 -14.51 C:145 17.44 -10.61 C:20 12.67 -12.15 C:28 13.95 -14.79 C:31 13.95 -11.87 C:24 16.97 -13.33 C:33 16.21 -14.40 O 14.96 -11.29 O 18.16 -13.55 C:169 13.76 -10.59 C:128 19.88 -7.74 C:174 19.88 -6.34 C:173 10.77 -13.33 C:173 16.53 -15.22 C:134 12.10 -13.33 C:84 17.44 -11.91 C:49 16.21 -12.28 C:55 14.96 -13.99 C:90 14.96 -12.67 29 1 -1 2 22 1 3 23 1 28 4 -2 5 22 2 6 24 2 7 25 2 8 26 2 9 24 1 10 25 1 11 12 1 11 14 2 12 23 2 13 16 1 13 27 2 28 14 -1 15 17 1 15 27 1 16 30 1 17 31 1 18 19 1 18 29 1 19 30 1 20 22 1 31 20 -1 21 26 1 21 28 1 23 24 1 25 27 1 30 26 -2 28 29 1 29 31 1 30 31 1', 'C22H26O8', 418.239, 'C', 'np95_57_4', 1286, '', '', '1', 1, NULL, NULL),
(7020, 'Demethoxydeacetoxypseudolaric acid B', '', 'Terpenoids', 'Diterpenoids', 'Sphenolobanes', '[H][C@@:9]13[CH2:8][CH2:7][C@:6]2([CH2:5][CH:4]=[C:3]([C:11](=O)O)[CH2:2][CH2:1][C@:10]12O)[C:12](=O)O[C@:13]3([CH3:14])[CH:15]=[CH:16][CH:17]=[C:18]([CH3:19])[C:20](=O)O', '[H][C@@]13CC[C@]2(CC=C(C(=O)O)CC[C@]12O)C(=O)O[C@]3(C)C=CC=C(C)C(=O)O', '[H][C@@:55]13[CH2:25][CH2:36][C@:56]2([CH2:28][CH:143]=[C:136]([C:171](=O)O)[CH2:21][CH2:34][C@:80]12O)[C:175](=O)O[C@:84]3([CH3:28])[CH:145]=[CH:121][CH:137]=[C:130]([CH3:13])[C:170](=O)O', '28 30 H 15.97 -11.36 C:19 21.02 -8.44 C:14 18.65 -11.25 O 21.01 -5.65 O 10.06 -12.11 O 16.49 -16.60 O 18.61 -5.65 O 10.12 -14.56 O 14.92 -11.27 C:16 18.61 -9.83 C:17 18.61 -8.45 C:4 12.65 -14.49 C:15 17.39 -10.60 C:2 12.65 -12.13 C:5 13.92 -14.76 C:1 13.92 -11.85 C:8 16.92 -13.31 C:7 16.17 -14.38 O 18.10 -13.53 C:18 19.81 -7.74 C:20 19.81 -6.35 C:11 10.76 -13.31 C:12 16.49 -15.19 C:3 12.08 -13.31 C:13 17.39 -11.89 C:9 16.17 -12.26 C:10 14.92 -12.66 C:6 14.92 -13.97 26 1 -1 2 20 1 25 3 -2 4 21 2 5 22 2 6 23 2 7 21 1 8 22 1 27 9 -1 10 11 1 10 13 2 11 20 2 12 15 1 12 24 2 25 13 -1 14 16 1 14 24 1 15 28 1 16 27 1 17 18 1 17 26 1 18 28 1 19 23 1 19 25 1 20 21 1 22 24 1 28 23 -2 25 26 1 26 27 1 27 28 1', '28 30 H 15.97 -11.36 C 21.02 -8.44 C 18.65 -11.25 O 21.01 -5.65 O 10.06 -12.11 O 16.49 -16.60 O 18.61 -5.65 O 10.12 -14.56 O 14.92 -11.27 C 18.61 -9.83 C 18.61 -8.45 C 12.65 -14.49 C 17.39 -10.60 C 12.65 -12.13 C 13.92 -14.76 C 13.92 -11.85 C 16.92 -13.31 C 16.17 -14.38 O 18.10 -13.53 C 19.81 -7.74 C 19.81 -6.35 C 10.76 -13.31 C 16.49 -15.19 C 12.08 -13.31 C 17.39 -11.89 C 16.17 -12.26 C 14.92 -12.66 C 14.92 -13.97 26 1 -1 2 20 1 25 3 -2 4 21 2 5 22 2 6 23 2 7 21 1 8 22 1 27 9 -1 10 11 1 10 13 2 11 20 2 12 15 1 12 24 2 25 13 -1 14 16 1 14 24 1 15 28 1 16 27 1 17 18 1 17 26 1 18 28 1 19 23 1 19 25 1 20 21 1 22 24 1 28 23 -2 25 26 1 26 27 1 27 28 1', '28 30 H 15.97 -11.36 C:13 21.02 -8.44 C:28 18.65 -11.25 O 21.01 -5.65 O 10.06 -12.11 O 16.49 -16.60 O 18.61 -5.65 O 10.12 -14.56 O 14.92 -11.27 C:121 18.61 -9.83 C:137 18.61 -8.45 C:143 12.65 -14.49 C:145 17.39 -10.60 C:21 12.65 -12.13 C:28 13.92 -14.76 C:34 13.92 -11.85 C:25 16.92 -13.31 C:36 16.17 -14.38 O 18.10 -13.53 C:130 19.81 -7.74 C:170 19.81 -6.35 C:171 10.76 -13.31 C:175 16.49 -15.19 C:136 12.08 -13.31 C:84 17.39 -11.89 C:55 16.17 -12.26 C:80 14.92 -12.66 C:56 14.92 -13.97 26 1 -1 2 20 1 25 3 -2 4 21 2 5 22 2 6 23 2 7 21 1 8 22 1 27 9 -1 10 11 1 10 13 2 11 20 2 12 15 1 12 24 2 25 13 -1 14 16 1 14 24 1 15 28 1 16 27 1 17 18 1 17 26 1 18 28 1 19 23 1 19 25 1 20 21 1 22 24 1 28 23 -2 25 26 1 26 27 1 27 28 1', 'C20H24O7', 376.218, 'C', 'np95_57_5', 1286, '', '', '1', 1, NULL, NULL);
