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
(16136, '1a-Hydroxydeoxyartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3(O)[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[C:12](=O)[C@@H:11]1[CH3:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3(O)CC[C@@]4(C)O[C@@H](OC(=O)[C@@H]1C)[C@]23O4', '[H][C@:43]12[CH2:19][CH2:40][C@@H:46]([CH3:29])[C@:71]3(O)[CH2:34][CH2:17][C@@:109]4([CH3:24])O[C@@H:100](O[C:172](=O)[C@@H:33]1[CH3:13])[C@:82]23O4', '21 24 H 18.63 -12.37 C:15 19.40 -7.61 C:13 20.68 -13.94 C:14 13.86 -10.94 O 18.14 -15.29 O 18.14 -8.32 C:9 20.68 -9.69 C:8 20.68 -11.11 C:3 15.75 -9.17 C:2 17.10 -8.89 O 16.99 -13.24 O 15.75 -11.64 O 17.19 -10.12 C:12 18.14 -13.94 C:10 19.40 -9.02 C:11 19.40 -13.24 C:5 16.99 -11.87 C:4 15.16 -10.41 C:7 19.40 -11.87 C:1 18.14 -9.69 C:6 18.14 -11.11 19 1 -2 15 2 -2 16 3 -1 18 4 -1 5 14 2 20 6 -2 7 8 1 7 15 1 8 19 1 9 10 1 9 18 1 10 20 1 11 14 1 17 11 -2 12 17 1 12 18 1 13 18 1 21 13 -2 14 16 1 15 20 1 16 19 1 17 21 1 19 21 1 20 21 1', '21 24 H 18.63 -12.37 C 19.40 -7.61 C 20.68 -13.94 C 13.86 -10.94 O 18.14 -15.29 O 18.14 -8.32 C 20.68 -9.69 C 20.68 -11.11 C 15.75 -9.17 C 17.10 -8.89 O 16.99 -13.24 O 15.75 -11.64 O 17.19 -10.12 C 18.14 -13.94 C 19.40 -9.02 C 19.40 -13.24 C 16.99 -11.87 C 15.16 -10.41 C 19.40 -11.87 C 18.14 -9.69 C 18.14 -11.11 19 1 -2 15 2 -2 16 3 -1 18 4 -1 5 14 2 20 6 -2 7 8 1 7 15 1 8 19 1 9 10 1 9 18 1 10 20 1 11 14 1 17 11 -2 12 17 1 12 18 1 13 18 1 21 13 -2 14 16 1 15 20 1 16 19 1 17 21 1 19 21 1 20 21 1', '21 24 H 18.63 -12.37 C:29 19.40 -7.61 C:13 20.68 -13.94 C:24 13.86 -10.94 O 18.14 -15.29 O 18.14 -8.32 C:40 20.68 -9.69 C:19 20.68 -11.11 C:17 15.75 -9.17 C:34 17.10 -8.89 O 16.99 -13.24 O 15.75 -11.64 O 17.19 -10.12 C:172 18.14 -13.94 C:46 19.40 -9.02 C:33 19.40 -13.24 C:100 16.99 -11.87 C:109 15.16 -10.41 C:43 19.40 -11.87 C:71 18.14 -9.69 C:82 18.14 -11.11 19 1 -2 15 2 -2 16 3 -1 18 4 -1 5 14 2 20 6 -2 7 8 1 7 15 1 8 19 1 9 10 1 9 18 1 10 20 1 11 14 1 17 11 -2 12 17 1 12 18 1 13 18 1 21 13 -2 14 16 1 15 20 1 16 19 1 17 21 1 19 21 1 20 21 1', 'C15H22O5', 282.165, 'C', 'np02_1693_6', 4043, 'C-13 16.9 ppm?', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16137, '5β-Hydroxy-10-Deoxoartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:7]13[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]2([H])[C@H:2](O)[CH2:3][C@:4]4([CH3:14])OO[C@@:6]12[C@H:5](O[CH2:12][C@@H:11]3[CH3:13])O4', '[H][C@@]13CC[C@@H](C)[C@]2([H])[C@H](O)C[C@]4(C)OO[C@@]12[C@H](OC[C@@H]3C)O4', '[H][C@@:45]13[CH2:21][CH2:35][C@@H:37]([CH3:21])[C@:59]2([H])[C@H:69](O)[CH2:46][C@:103]4([CH3:26])OO[C@@:80]12[C@H:92](O[CH2:66][C@@H:28]3[CH3:13])O4', '22 25 H 18.64 -13.07 H 18.16 -9.22 C:15 19.43 -8.16 C:13 20.71 -14.66 C:14 13.79 -11.60 O 17.48 -8.16 C:9 20.71 -10.32 C:8 20.71 -11.78 C:12 18.16 -14.66 C:3 15.73 -9.79 O 16.98 -13.95 O 16.67 -11.78 O 17.42 -10.60 O 15.73 -12.32 C:10 19.43 -9.63 C:11 19.43 -13.95 C:2 17.10 -9.50 C:5 16.98 -12.56 C:4 15.13 -11.04 C:7 19.43 -12.50 C:1 18.16 -10.32 C:6 18.16 -11.78 20 1 -2 21 2 -2 15 3 -2 16 4 -1 19 5 -1 17 6 -1 7 8 1 7 15 1 8 20 1 9 11 1 9 16 1 10 17 1 10 19 1 18 11 -2 12 13 1 12 19 1 22 13 -2 14 18 1 14 19 1 15 21 1 16 20 1 17 21 1 18 22 1 20 22 1 21 22 1', '22 25 H 18.64 -13.07 H 18.16 -9.22 C 19.43 -8.16 C 20.71 -14.66 C 13.79 -11.60 O 17.48 -8.16 C 20.71 -10.32 C 20.71 -11.78 C 18.16 -14.66 C 15.73 -9.79 O 16.98 -13.95 O 16.67 -11.78 O 17.42 -10.60 O 15.73 -12.32 C 19.43 -9.63 C 19.43 -13.95 C 17.10 -9.50 C 16.98 -12.56 C 15.13 -11.04 C 19.43 -12.50 C 18.16 -10.32 C 18.16 -11.78 20 1 -2 21 2 -2 15 3 -2 16 4 -1 19 5 -1 17 6 -1 7 8 1 7 15 1 8 20 1 9 11 1 9 16 1 10 17 1 10 19 1 18 11 -2 12 13 1 12 19 1 22 13 -2 14 18 1 14 19 1 15 21 1 16 20 1 17 21 1 18 22 1 20 22 1 21 22 1', '22 25 H 18.64 -13.07 H 18.16 -9.22 C:21 19.43 -8.16 C:13 20.71 -14.66 C:26 13.79 -11.60 O 17.48 -8.16 C:35 20.71 -10.32 C:21 20.71 -11.78 C:66 18.16 -14.66 C:46 15.73 -9.79 O 16.98 -13.95 O 16.67 -11.78 O 17.42 -10.60 O 15.73 -12.32 C:37 19.43 -9.63 C:28 19.43 -13.95 C:69 17.10 -9.50 C:92 16.98 -12.56 C:103 15.13 -11.04 C:45 19.43 -12.50 C:59 18.16 -10.32 C:80 18.16 -11.78 20 1 -2 21 2 -2 15 3 -2 16 4 -1 19 5 -1 17 6 -1 7 8 1 7 15 1 8 20 1 9 11 1 9 16 1 10 17 1 10 19 1 18 11 -2 12 13 1 12 19 1 22 13 -2 14 18 1 14 19 1 15 21 1 16 20 1 17 21 1 18 22 1 20 22 1 21 22 1', 'C15H24O5', 284.173, 'C', 'np04_1595_2', 4044, '', '', '1', 47, NULL, NULL),
(16138, '4α-Hydroxy-1,10-Deoxoartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][C@@H:3](O)[C@@:4]4([CH3:14])O[C@@H:5](O[CH2:12][C@@H:11]1[CH3:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])C[C@@H](O)[C@@]4(C)O[C@@H](OC[C@@H]1C)[C@]23O4', '[H][C@:40]12[CH2:24][CH2:34][C@@H:35]([CH3:19])[C@:42]3([H])[CH2:30][C@@H:70](O)[C@@:107]4([CH3:21])O[C@@H:96](O[CH2:65][C@@H:26]1[CH3:16])[C@:83]23O4', '21 24 H 18.61 -13.10 H 18.13 -9.29 C:15 19.39 -8.24 C:13 20.66 -14.67 C:14 13.81 -11.65 O 14.86 -8.78 C:9 20.66 -10.38 C:8 20.66 -11.83 C:12 18.13 -14.67 C:2 17.08 -9.57 O 16.97 -13.97 O 15.73 -12.36 O 17.15 -10.85 C:10 19.39 -9.70 C:11 19.39 -13.97 C:3 15.73 -9.86 C:5 16.97 -12.60 C:7 19.39 -12.54 C:1 18.13 -10.38 C:4 15.14 -11.09 C:6 18.13 -11.83 18 1 -2 19 2 -2 14 3 -2 15 4 -1 20 5 -1 16 6 -2 7 8 1 7 14 1 8 18 1 9 11 1 9 15 1 10 16 1 10 19 1 17 11 -2 12 17 1 12 20 1 13 20 1 21 13 -2 14 19 1 15 18 1 16 20 1 17 21 1 18 21 1 19 21 1', '21 24 H 18.61 -13.10 H 18.13 -9.29 C 19.39 -8.24 C 20.66 -14.67 C 13.81 -11.65 O 14.86 -8.78 C 20.66 -10.38 C 20.66 -11.83 C 18.13 -14.67 C 17.08 -9.57 O 16.97 -13.97 O 15.73 -12.36 O 17.15 -10.85 C 19.39 -9.70 C 19.39 -13.97 C 15.73 -9.86 C 16.97 -12.60 C 19.39 -12.54 C 18.13 -10.38 C 15.14 -11.09 C 18.13 -11.83 18 1 -2 19 2 -2 14 3 -2 15 4 -1 20 5 -1 16 6 -2 7 8 1 7 14 1 8 18 1 9 11 1 9 15 1 10 16 1 10 19 1 17 11 -2 12 17 1 12 20 1 13 20 1 21 13 -2 14 19 1 15 18 1 16 20 1 17 21 1 18 21 1 19 21 1', '21 24 H 18.61 -13.10 H 18.13 -9.29 C:19 19.39 -8.24 C:16 20.66 -14.67 C:21 13.81 -11.65 O 14.86 -8.78 C:34 20.66 -10.38 C:24 20.66 -11.83 C:65 18.13 -14.67 C:30 17.08 -9.57 O 16.97 -13.97 O 15.73 -12.36 O 17.15 -10.85 C:35 19.39 -9.70 C:26 19.39 -13.97 C:70 15.73 -9.86 C:96 16.97 -12.60 C:40 19.39 -12.54 C:42 18.13 -10.38 C:107 15.14 -11.09 C:83 18.13 -11.83 18 1 -2 19 2 -2 14 3 -2 15 4 -1 20 5 -1 16 6 -2 7 8 1 7 14 1 8 18 1 9 11 1 9 15 1 10 16 1 10 19 1 17 11 -2 12 17 1 12 20 1 13 20 1 21 13 -2 14 19 1 15 18 1 16 20 1 17 21 1 18 21 1 19 21 1', 'C15H24O4', 268.174, 'C', 'np04_1595_3', 4044, '', '', '1', 47, NULL, NULL),
(16139, '7β-Hydroxy-10-deoxoartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[CH2:12][C@H:11]([CH3:13])[C@:7]2([H])[CH2:8][C@H:9](O)[C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC[C@H](C)[C@]2([H])C[C@H](O)[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:36][C@:104]4([CH3:26])OO[C@:80]12[C@H:92](O[CH2:66][C@H:30]([CH3:13])[C@:44]2([H])[CH2:28][C@H:73](O)[C@H:42]3[CH3:15])O4', '22 25 H 17.55 -9.22 H 18.03 -13.07 C:13 20.10 -14.66 C:15 18.82 -8.16 C:14 13.18 -11.60 O 21.30 -9.63 C:3 15.12 -9.79 C:2 16.49 -9.50 C:12 17.55 -14.66 C:8 20.10 -11.78 O 16.37 -13.95 O 16.06 -11.78 O 16.81 -10.60 O 15.12 -12.32 C:11 18.82 -13.95 C:9 20.10 -10.32 C:10 18.82 -9.63 C:5 16.37 -12.56 C:4 14.52 -11.04 C:1 17.55 -10.32 C:7 18.82 -12.50 C:6 17.55 -11.78 20 1 -2 21 2 -2 15 3 -1 17 4 -2 19 5 -1 16 6 -1 7 8 1 7 19 1 8 20 1 9 11 1 9 15 1 10 16 1 10 21 1 18 11 -2 12 13 1 12 19 1 22 13 -2 14 18 1 14 19 1 15 21 1 16 17 1 17 20 1 18 22 1 20 22 1 21 22 1', '22 25 H 17.55 -9.22 H 18.03 -13.07 C 20.10 -14.66 C 18.82 -8.16 C 13.18 -11.60 O 21.30 -9.63 C 15.12 -9.79 C 16.49 -9.50 C 17.55 -14.66 C 20.10 -11.78 O 16.37 -13.95 O 16.06 -11.78 O 16.81 -10.60 O 15.12 -12.32 C 18.82 -13.95 C 20.10 -10.32 C 18.82 -9.63 C 16.37 -12.56 C 14.52 -11.04 C 17.55 -10.32 C 18.82 -12.50 C 17.55 -11.78 20 1 -2 21 2 -2 15 3 -1 17 4 -2 19 5 -1 16 6 -1 7 8 1 7 19 1 8 20 1 9 11 1 9 15 1 10 16 1 10 21 1 18 11 -2 12 13 1 12 19 1 22 13 -2 14 18 1 14 19 1 15 21 1 16 17 1 17 20 1 18 22 1 20 22 1 21 22 1', '22 25 H 17.55 -9.22 H 18.03 -13.07 C:13 20.10 -14.66 C:15 18.82 -8.16 C:26 13.18 -11.60 O 21.30 -9.63 C:36 15.12 -9.79 C:25 16.49 -9.50 C:66 17.55 -14.66 C:28 20.10 -11.78 O 16.37 -13.95 O 16.06 -11.78 O 16.81 -10.60 O 15.12 -12.32 C:30 18.82 -13.95 C:73 20.10 -10.32 C:42 18.82 -9.63 C:92 16.37 -12.56 C:104 14.52 -11.04 C:50 17.55 -10.32 C:44 18.82 -12.50 C:80 17.55 -11.78 20 1 -2 21 2 -2 15 3 -1 17 4 -2 19 5 -1 16 6 -1 7 8 1 7 19 1 8 20 1 9 11 1 9 15 1 10 16 1 10 21 1 18 11 -2 12 13 1 12 19 1 22 13 -2 14 18 1 14 19 1 15 21 1 16 17 1 17 20 1 18 22 1 20 22 1 21 22 1', 'C15H24O5', 284.173, 'C', 'np04_1595_4', 4044, '', '', '1', 47, NULL, NULL),
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(16156, 'Artemisinic acid b-D-glucopyranosyl ester', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[C:11](=[CH2:13])[C:12](=O)O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(=C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O', '[H][C@:39]12[CH:121]=[C:135]([CH3:24])[CH2:27][CH2:26][C@@:42]1([H])[C@H:28]([CH3:20])[CH2:36][CH2:27][C@H:43]2[C:144](=[CH2:126])[C:166](=O)O[C@@H:96]3O[C@H:78]([CH2:62]O)[C@@H:71](O)[C@H:78](O)[C@H:74]3O', '30 32 H 18.48 -10.00 H 18.48 -6.38 C:13 20.89 -11.84 C:14 14.70 -9.68 C:15 19.64 -5.34 O 17.17 -11.15 O 13.64 -11.91 O 16.08 -17.49 O 13.64 -16.13 O 18.48 -16.07 C:5 17.17 -9.68 C:106 13.64 -13.31 C:3 15.97 -7.51 C:9 20.89 -7.51 C:8 20.89 -8.93 C:2 17.17 -6.79 O 18.48 -13.24 O 16.08 -13.31 C:4 15.97 -8.93 C:11 19.64 -11.15 C:12 18.48 -11.84 C:10 19.64 -6.79 C:103 16.08 -16.13 C:104 14.84 -15.41 C:102 17.26 -15.41 C:105 14.84 -14.00 C:101 17.26 -14.00 C:7 19.64 -9.68 C:6 18.48 -8.93 C:1 18.48 -7.51 29 1 -2 30 2 -2 3 20 2 4 19 1 22 5 -2 6 21 2 7 12 1 23 8 -1 24 9 -2 25 10 -2 11 19 2 11 29 1 26 12 -1 13 16 1 13 19 1 14 15 1 14 22 1 15 28 1 16 30 1 17 21 1 27 17 -1 18 26 1 18 27 1 20 21 1 28 20 -1 22 30 1 23 24 1 23 25 1 24 26 1 25 27 1 28 29 1 29 30 1', '30 32 H 18.48 -10.00 H 18.48 -6.38 C 20.89 -11.84 C 14.70 -9.68 C 19.64 -5.34 O 17.17 -11.15 O 13.64 -11.91 O 16.08 -17.49 O 13.64 -16.13 O 18.48 -16.07 C 17.17 -9.68 C 13.64 -13.31 C 15.97 -7.51 C 20.89 -7.51 C 20.89 -8.93 C 17.17 -6.79 O 18.48 -13.24 O 16.08 -13.31 C 15.97 -8.93 C 19.64 -11.15 C 18.48 -11.84 C 19.64 -6.79 C 16.08 -16.13 C 14.84 -15.41 C 17.26 -15.41 C 14.84 -14.00 C 17.26 -14.00 C 19.64 -9.68 C 18.48 -8.93 C 18.48 -7.51 29 1 -2 30 2 -2 3 20 2 4 19 1 22 5 -2 6 21 2 7 12 1 23 8 -1 24 9 -2 25 10 -2 11 19 2 11 29 1 26 12 -1 13 16 1 13 19 1 14 15 1 14 22 1 15 28 1 16 30 1 17 21 1 27 17 -1 18 26 1 18 27 1 20 21 1 28 20 -1 22 30 1 23 24 1 23 25 1 24 26 1 25 27 1 28 29 1 29 30 1', '30 32 H 18.48 -10.00 H 18.48 -6.38 C:126 20.89 -11.84 C:24 14.70 -9.68 C:20 19.64 -5.34 O 17.17 -11.15 O 13.64 -11.91 O 16.08 -17.49 O 13.64 -16.13 O 18.48 -16.07 C:121 17.17 -9.68 C:62 13.64 -13.31 C:27 15.97 -7.51 C:36 20.89 -7.51 C:27 20.89 -8.93 C:26 17.17 -6.79 O 18.48 -13.24 O 16.08 -13.31 C:135 15.97 -8.93 C:144 19.64 -11.15 C:166 18.48 -11.84 C:28 19.64 -6.79 C:78 16.08 -16.13 C:71 14.84 -15.41 C:74 17.26 -15.41 C:78 14.84 -14.00 C:96 17.26 -14.00 C:43 19.64 -9.68 C:39 18.48 -8.93 C:42 18.48 -7.51 29 1 -2 30 2 -2 3 20 2 4 19 1 22 5 -2 6 21 2 7 12 1 23 8 -1 24 9 -2 25 10 -2 11 19 2 11 29 1 26 12 -1 13 16 1 13 19 1 14 15 1 14 22 1 15 28 1 16 30 1 17 21 1 27 17 -1 18 26 1 18 27 1 20 21 1 28 20 -1 22 30 1 23 24 1 23 25 1 24 26 1 25 27 1 28 29 1 29 30 1', 'C21H32O7', 396.236, 'A', 'ph48_1329_3', 4048, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16158, '', '3b-Hydroxyartemisinic acid-b-D-glucopyranosyl ester', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[C@@H:3](O)[CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[C:11](=[CH2:13])[C:12](=O)O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O', '[H][C@]12C=C(C)[C@@H](O)C[C@@]1([H])[C@H](C)CC[C@H]2C(=C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O', '[H][C@:39]12[CH:123]=[C:137]([CH3:22])[C@@H:67](O)[CH2:36][C@@:42]1([H])[C@H:29]([CH3:21])[CH2:36][CH2:27][C@H:43]2[C:144](=[CH2:126])[C:166](=O)O[C@@H:97]3O[C@H:80]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:75]3O', '31 33 H 18.45 -10.01 H 18.45 -6.38 C:13 20.86 -11.85 C:14 14.66 -9.69 C:15 19.61 -5.34 O 17.14 -11.16 O 13.59 -11.92 O 14.72 -6.82 O 16.05 -17.51 O 13.59 -16.15 O 18.45 -16.09 C:5 17.14 -9.69 C:106 13.59 -13.33 C:9 20.86 -7.52 C:8 20.86 -8.94 C:2 17.14 -6.82 O 18.45 -13.26 O 16.05 -13.33 C:4 15.94 -8.94 C:11 19.61 -11.16 C:12 18.45 -11.85 C:10 19.61 -6.82 C:3 15.94 -7.52 C:103 16.05 -16.15 C:104 14.80 -15.43 C:102 17.23 -15.43 C:105 14.80 -14.02 C:101 17.23 -14.02 C:7 19.61 -9.69 C:6 18.45 -8.94 C:1 18.45 -7.52 30 1 -2 31 2 -2 3 20 2 4 19 1 22 5 -2 6 21 2 7 13 1 23 8 -1 24 9 -1 25 10 -2 26 11 -2 12 19 2 12 30 1 27 13 -1 14 15 1 14 22 1 15 29 1 16 23 1 16 31 1 17 21 1 28 17 -1 18 27 1 18 28 1 19 23 1 20 21 1 29 20 -1 22 31 1 24 25 1 24 26 1 25 27 1 26 28 1 29 30 1 30 31 1', '31 33 H 18.45 -10.01 H 18.45 -6.38 C 20.86 -11.85 C 14.66 -9.69 C 19.61 -5.34 O 17.14 -11.16 O 13.59 -11.92 O 14.72 -6.82 O 16.05 -17.51 O 13.59 -16.15 O 18.45 -16.09 C 17.14 -9.69 C 13.59 -13.33 C 20.86 -7.52 C 20.86 -8.94 C 17.14 -6.82 O 18.45 -13.26 O 16.05 -13.33 C 15.94 -8.94 C 19.61 -11.16 C 18.45 -11.85 C 19.61 -6.82 C 15.94 -7.52 C 16.05 -16.15 C 14.80 -15.43 C 17.23 -15.43 C 14.80 -14.02 C 17.23 -14.02 C 19.61 -9.69 C 18.45 -8.94 C 18.45 -7.52 30 1 -2 31 2 -2 3 20 2 4 19 1 22 5 -2 6 21 2 7 13 1 23 8 -1 24 9 -1 25 10 -2 26 11 -2 12 19 2 12 30 1 27 13 -1 14 15 1 14 22 1 15 29 1 16 23 1 16 31 1 17 21 1 28 17 -1 18 27 1 18 28 1 19 23 1 20 21 1 29 20 -1 22 31 1 24 25 1 24 26 1 25 27 1 26 28 1 29 30 1 30 31 1', '31 33 H 18.45 -10.01 H 18.45 -6.38 C:126 20.86 -11.85 C:22 14.66 -9.69 C:21 19.61 -5.34 O 17.14 -11.16 O 13.59 -11.92 O 14.72 -6.82 O 16.05 -17.51 O 13.59 -16.15 O 18.45 -16.09 C:123 17.14 -9.69 C:62 13.59 -13.33 C:36 20.86 -7.52 C:27 20.86 -8.94 C:36 17.14 -6.82 O 18.45 -13.26 O 16.05 -13.33 C:137 15.94 -8.94 C:144 19.61 -11.16 C:166 18.45 -11.85 C:29 19.61 -6.82 C:67 15.94 -7.52 C:79 16.05 -16.15 C:71 14.80 -15.43 C:75 17.23 -15.43 C:80 14.80 -14.02 C:97 17.23 -14.02 C:43 19.61 -9.69 C:39 18.45 -8.94 C:42 18.45 -7.52 30 1 -2 31 2 -2 3 20 2 4 19 1 22 5 -2 6 21 2 7 13 1 23 8 -1 24 9 -1 25 10 -2 26 11 -2 12 19 2 12 30 1 27 13 -1 14 15 1 14 22 1 15 29 1 16 23 1 16 31 1 17 21 1 28 17 -1 18 27 1 18 28 1 19 23 1 20 21 1 29 20 -1 22 31 1 24 25 1 24 26 1 25 27 1 26 28 1 29 30 1 30 31 1', 'C21H32O8', 412.236, 'P', 'ph48_1329_5', 4048, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16159, '', '9b-hydroxydeoxy-11-epi-artemisinin', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:1]13[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@H:5]2O[C:12](=O)[C@@H:11]([CH3:13])[C@:7]([H])([CH2:8][C@H:9](O)[C@H:10]1[CH3:15])[C@@:6]23O4', '[H][C@]13CC[C@@]4(C)O[C@H]2OC(=O)[C@@H](C)[C@]([H])(C[C@H](O)[C@H]1C)[C@@]23O4', '[H][C@:43]13[CH2:23][CH2:34][C@@:110]4([CH3:24])O[C@H:100]2O[C:173](=O)[C@@H:40]([CH3:21])[C@:40]([H])([CH2:40][C@H:74](O)[C@H:43]1[CH3:15])[C@@:82]23O4', '22 25 H 17.53 -8.52 H 18.02 -12.33 C:13 20.09 -13.93 C:15 18.81 -7.50 C:14 13.16 -10.87 O 17.53 -15.31 O 21.28 -8.93 C:3 15.10 -9.09 C:2 16.48 -8.80 C:8 20.09 -11.05 O 16.36 -13.22 O 15.10 -11.59 O 16.36 -10.33 C:12 17.53 -13.93 C:11 18.81 -13.22 C:10 18.81 -8.93 C:9 20.09 -9.62 C:5 16.36 -11.83 C:4 14.50 -10.33 C:1 17.53 -9.62 C:7 18.81 -11.77 C:6 17.53 -11.05 20 1 -2 21 2 -2 15 3 -2 16 4 -2 19 5 -1 6 14 2 17 7 -1 8 9 1 8 19 1 9 20 1 10 17 1 10 21 1 11 14 1 18 11 -2 12 18 1 12 19 1 13 19 1 22 13 -2 14 15 1 15 21 1 16 17 1 16 20 1 18 22 1 20 22 1 21 22 1', '22 25 H 17.53 -8.52 H 18.02 -12.33 C 20.09 -13.93 C 18.81 -7.50 C 13.16 -10.87 O 17.53 -15.31 O 21.28 -8.93 C 15.10 -9.09 C 16.48 -8.80 C 20.09 -11.05 O 16.36 -13.22 O 15.10 -11.59 O 16.36 -10.33 C 17.53 -13.93 C 18.81 -13.22 C 18.81 -8.93 C 20.09 -9.62 C 16.36 -11.83 C 14.50 -10.33 C 17.53 -9.62 C 18.81 -11.77 C 17.53 -11.05 20 1 -2 21 2 -2 15 3 -2 16 4 -2 19 5 -1 6 14 2 17 7 -1 8 9 1 8 19 1 9 20 1 10 17 1 10 21 1 11 14 1 18 11 -2 12 18 1 12 19 1 13 19 1 22 13 -2 14 15 1 15 21 1 16 17 1 16 20 1 18 22 1 20 22 1 21 22 1', '22 25 H 17.53 -8.52 H 18.02 -12.33 C:21 20.09 -13.93 C:15 18.81 -7.50 C:24 13.16 -10.87 O 17.53 -15.31 O 21.28 -8.93 C:34 15.10 -9.09 C:23 16.48 -8.80 C:40 20.09 -11.05 O 16.36 -13.22 O 15.10 -11.59 O 16.36 -10.33 C:173 17.53 -13.93 C:40 18.81 -13.22 C:43 18.81 -8.93 C:74 20.09 -9.62 C:100 16.36 -11.83 C:110 14.50 -10.33 C:43 17.53 -9.62 C:40 18.81 -11.77 C:82 17.53 -11.05 20 1 -2 21 2 -2 15 3 -2 16 4 -2 19 5 -1 6 14 2 17 7 -1 8 9 1 8 19 1 9 20 1 10 17 1 10 21 1 11 14 1 18 11 -2 12 18 1 12 19 1 13 19 1 22 13 -2 14 15 1 15 21 1 16 17 1 16 20 1 18 22 1 20 22 1 21 22 1', 'C15H22O5', 282.173, 'C', 'ph51_257_4', 4049, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16160, '', '9b-hydroxy-11-epi-artemisinin', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@@H:11]([CH3:13])[C@:7]2([H])[CH2:8][C@H:9](O)[C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@@H](C)[C@]2([H])C[C@H](O)[C@H]3C)O4', '[H][C@@:49]13[CH2:25][CH2:36][C@:106]4([CH3:26])OO[C@:81]12[C@H:94](O[C:173](=O)[C@@H:40]([CH3:21])[C@:43]2([H])[CH2:40][C@H:73](O)[C@H:45]3[CH3:16])O4', '23 26 H 17.54 -8.52 H 18.03 -12.36 C:13 20.11 -13.96 C:15 18.82 -7.49 C:14 13.15 -10.89 O 17.54 -15.35 O 21.31 -8.93 C:3 15.10 -9.09 C:2 16.48 -8.80 C:8 20.11 -11.07 O 16.05 -11.07 O 16.80 -9.90 O 16.36 -13.25 O 15.10 -11.61 C:12 17.54 -13.96 C:11 18.82 -13.25 C:10 18.82 -8.93 C:9 20.11 -9.62 C:5 16.36 -11.85 C:4 14.49 -10.34 C:1 17.54 -9.62 C:7 18.82 -11.79 C:6 17.54 -11.07 21 1 -2 22 2 -2 16 3 -2 17 4 -2 20 5 -1 6 15 2 18 7 -1 8 9 1 8 20 1 9 21 1 10 18 1 10 22 1 11 12 1 11 20 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 20 1 15 16 1 16 22 1 17 18 1 17 21 1 19 23 1 21 23 1 22 23 1', '23 26 H 17.54 -8.52 H 18.03 -12.36 C 20.11 -13.96 C 18.82 -7.49 C 13.15 -10.89 O 17.54 -15.35 O 21.31 -8.93 C 15.10 -9.09 C 16.48 -8.80 C 20.11 -11.07 O 16.05 -11.07 O 16.80 -9.90 O 16.36 -13.25 O 15.10 -11.61 C 17.54 -13.96 C 18.82 -13.25 C 18.82 -8.93 C 20.11 -9.62 C 16.36 -11.85 C 14.49 -10.34 C 17.54 -9.62 C 18.82 -11.79 C 17.54 -11.07 21 1 -2 22 2 -2 16 3 -2 17 4 -2 20 5 -1 6 15 2 18 7 -1 8 9 1 8 20 1 9 21 1 10 18 1 10 22 1 11 12 1 11 20 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 20 1 15 16 1 16 22 1 17 18 1 17 21 1 19 23 1 21 23 1 22 23 1', '23 26 H 17.54 -8.52 H 18.03 -12.36 C:21 20.11 -13.96 C:16 18.82 -7.49 C:26 13.15 -10.89 O 17.54 -15.35 O 21.31 -8.93 C:36 15.10 -9.09 C:25 16.48 -8.80 C:40 20.11 -11.07 O 16.05 -11.07 O 16.80 -9.90 O 16.36 -13.25 O 15.10 -11.61 C:173 17.54 -13.96 C:40 18.82 -13.25 C:45 18.82 -8.93 C:73 20.11 -9.62 C:94 16.36 -11.85 C:106 14.49 -10.34 C:49 17.54 -9.62 C:43 18.82 -11.79 C:81 17.54 -11.07 21 1 -2 22 2 -2 16 3 -2 17 4 -2 20 5 -1 6 15 2 18 7 -1 8 9 1 8 20 1 9 21 1 10 18 1 10 22 1 11 12 1 11 20 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 20 1 15 16 1 16 22 1 17 18 1 17 21 1 19 23 1 21 23 1 22 23 1', 'C15H22O6', 298.173, 'C', 'ph51_257_5', 4049, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
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(16178, '', '(-)-epi-Cedrol', 'Terpenoids', 'Sesquiterpenoids', 'Cedranes', '[H][C@@:7]13[CH2:11][C@@:1]2([CH2:10][CH2:9][C@:8]1([CH3:15])O)[C@H:2]([CH3:12])[CH2:3][CH2:4][C@@:5]2([H])[C@:6]3([CH3:13])[CH3:14]', '[H][C@@]13C[C@@]2(CC[C@]1(C)O)[C@H](C)CC[C@@]2([H])[C@]3(C)C', '[H][C@@:62]13[CH2:40][C@@:54]2([CH2:31][CH2:34][C@:73]1([CH3:31])O)[C@H:42]([CH3:16])[CH2:37][CH2:25][C@@:56]2([H])[C@:42]3([CH3:29])[CH3:28]', '18 20 H 19.38 -13.28 H 16.01 -12.83 C:12 14.37 -8.75 C:15 20.52 -11.99 C:13 18.06 -14.07 C:14 16.11 -13.65 O 20.52 -10.55 C:3 13.96 -11.28 C:9 18.69 -9.98 C:4 14.82 -12.44 C:10 17.29 -9.65 C:11 17.69 -11.28 C:2 14.82 -10.11 C:8 19.32 -11.28 C:6 17.29 -12.88 C:7 18.69 -12.56 C:5 16.19 -11.99 C:1 16.19 -10.55 16 1 -1 17 2 -1 13 3 -1 14 4 -1 15 5 -2 15 6 -1 14 7 -2 8 10 1 8 13 1 9 11 1 9 14 1 10 17 1 11 18 1 12 16 1 18 12 -2 13 18 1 14 16 1 15 16 1 15 17 1 17 18 1', '18 20 H 19.38 -13.28 H 16.01 -12.83 C 14.37 -8.75 C 20.52 -11.99 C 18.06 -14.07 C 16.11 -13.65 O 20.52 -10.55 C 13.96 -11.28 C 18.69 -9.98 C 14.82 -12.44 C 17.29 -9.65 C 17.69 -11.28 C 14.82 -10.11 C 19.32 -11.28 C 17.29 -12.88 C 18.69 -12.56 C 16.19 -11.99 C 16.19 -10.55 16 1 -1 17 2 -1 13 3 -1 14 4 -1 15 5 -2 15 6 -1 14 7 -2 8 10 1 8 13 1 9 11 1 9 14 1 10 17 1 11 18 1 12 16 1 18 12 -2 13 18 1 14 16 1 15 16 1 15 17 1 17 18 1', '18 20 H 19.38 -13.28 H 16.01 -12.83 C:16 14.37 -8.75 C:31 20.52 -11.99 C:29 18.06 -14.07 C:28 16.11 -13.65 O 20.52 -10.55 C:37 13.96 -11.28 C:34 18.69 -9.98 C:25 14.82 -12.44 C:31 17.29 -9.65 C:40 17.69 -11.28 C:42 14.82 -10.11 C:73 19.32 -11.28 C:42 17.29 -12.88 C:62 18.69 -12.56 C:56 16.19 -11.99 C:54 16.19 -10.55 16 1 -1 17 2 -1 13 3 -1 14 4 -1 15 5 -2 15 6 -1 14 7 -2 8 10 1 8 13 1 9 11 1 9 14 1 10 17 1 11 18 1 12 16 1 18 12 -2 13 18 1 14 16 1 15 16 1 15 17 1 17 18 1', 'C15H26O', 222.176, 'C', 'ph64_303_35', 4050, '', '', '1', 47, NULL, NULL),
(16179, '', '(+)-Cedrol', 'Terpenoids', 'Sesquiterpenoids', 'Cedranes', '[H][C@@:7]13[CH2:11][C@@:1]2([CH2:10][CH2:9][C@@:8]1([CH3:15])O)[C@H:2]([CH3:12])[CH2:3][CH2:4][C@@:5]2([H])[C@@:6]3([CH3:14])[CH3:13]', '[H][C@@]13C[C@@]2(CC[C@@]1(C)O)[C@H](C)CC[C@@]2([H])[C@@]3(C)C', '[H][C@@:61]13[CH2:42][C@@:54]2([CH2:32][CH2:35][C@@:75]1([CH3:30])O)[C@H:42]([CH3:16])[CH2:37][CH2:25][C@@:57]2([H])[C@@:43]3([CH3:28])[CH3:29]', '18 20 H 19.38 -13.28 H 16.01 -12.83 C:12 14.37 -8.75 C:15 20.52 -11.99 C:14 16.11 -13.65 C:13 18.06 -14.07 O 20.52 -10.55 C:3 13.96 -11.28 C:9 18.69 -9.98 C:4 14.82 -12.44 C:10 17.29 -9.65 C:11 17.69 -11.28 C:2 14.82 -10.11 C:8 19.32 -11.28 C:6 17.29 -12.88 C:7 18.69 -12.56 C:5 16.19 -11.99 C:1 16.19 -10.55 16 1 -1 17 2 -1 13 3 -1 14 4 -2 15 5 -1 15 6 -2 14 7 -1 8 10 1 8 13 1 9 11 1 9 14 1 10 17 1 11 18 1 12 16 1 18 12 -2 13 18 1 14 16 1 15 16 1 15 17 1 17 18 1', '18 20 H 19.38 -13.28 H 16.01 -12.83 C 14.37 -8.75 C 20.52 -11.99 C 16.11 -13.65 C 18.06 -14.07 O 20.52 -10.55 C 13.96 -11.28 C 18.69 -9.98 C 14.82 -12.44 C 17.29 -9.65 C 17.69 -11.28 C 14.82 -10.11 C 19.32 -11.28 C 17.29 -12.88 C 18.69 -12.56 C 16.19 -11.99 C 16.19 -10.55 16 1 -1 17 2 -1 13 3 -1 14 4 -2 15 5 -1 15 6 -2 14 7 -1 8 10 1 8 13 1 9 11 1 9 14 1 10 17 1 11 18 1 12 16 1 18 12 -2 13 18 1 14 16 1 15 16 1 15 17 1 17 18 1', '18 20 H 19.38 -13.28 H 16.01 -12.83 C:16 14.37 -8.75 C:30 20.52 -11.99 C:28 16.11 -13.65 C:29 18.06 -14.07 O 20.52 -10.55 C:37 13.96 -11.28 C:35 18.69 -9.98 C:25 14.82 -12.44 C:32 17.29 -9.65 C:42 17.69 -11.28 C:42 14.82 -10.11 C:75 19.32 -11.28 C:43 17.29 -12.88 C:61 18.69 -12.56 C:57 16.19 -11.99 C:54 16.19 -10.55 16 1 -1 17 2 -1 13 3 -1 14 4 -2 15 5 -1 15 6 -2 14 7 -1 8 10 1 8 13 1 9 11 1 9 14 1 10 17 1 11 18 1 12 16 1 18 12 -2 13 18 1 14 16 1 15 16 1 15 17 1 17 18 1', 'C15H26O', 222.176, 'C', 'ph64_303_36', 4050, '', '', '1', 47, NULL, NULL),
(16180, '', '15-Nor-3-oxo cedrane', 'Terpenoids', 'Sesquiterpenoids', 'Cedranes', '[H][C@@:7]13[CH2:11][C@@:1]2([CH2:10][CH2:9][C:8]1=O)[C@H:2]([CH3:12])[CH2:3][CH2:4][C@@:5]2([H])[C@:6]3([CH3:13])[CH3:14]', '[H][C@@]13C[C@@]2(CCC1=O)[C@H](C)CC[C@@]2([H])[C@]3(C)C', '[H][C@@:67]13[CH2:43][C@@:54]2([CH2:32][CH2:37][C:215]1=O)[C@H:42]([CH3:16])[CH2:37][CH2:26][C@@:57]2([H])[C@:43]3([CH3:26])[CH3:26]', '17 19 H 19.31 -13.28 H 15.94 -12.83 C:12 14.30 -8.75 C:13 17.99 -14.07 C:14 16.04 -13.65 O 20.65 -11.28 C:9 18.62 -9.98 C:3 13.89 -11.28 C:10 17.22 -9.65 C:4 14.75 -12.44 C:11 17.62 -11.28 C:8 19.25 -11.28 C:2 14.75 -10.11 C:6 17.22 -12.88 C:7 18.62 -12.56 C:5 16.12 -11.99 C:1 16.12 -10.55 15 1 -1 16 2 -1 13 3 -1 14 4 -2 14 5 -1 6 12 2 7 9 1 7 12 1 8 10 1 8 13 1 9 17 1 10 16 1 11 15 1 17 11 -2 12 15 1 13 17 1 14 15 1 14 16 1 16 17 1', '17 19 H 19.31 -13.28 H 15.94 -12.83 C 14.30 -8.75 C 17.99 -14.07 C 16.04 -13.65 O 20.65 -11.28 C 18.62 -9.98 C 13.89 -11.28 C 17.22 -9.65 C 14.75 -12.44 C 17.62 -11.28 C 19.25 -11.28 C 14.75 -10.11 C 17.22 -12.88 C 18.62 -12.56 C 16.12 -11.99 C 16.12 -10.55 15 1 -1 16 2 -1 13 3 -1 14 4 -2 14 5 -1 6 12 2 7 9 1 7 12 1 8 10 1 8 13 1 9 17 1 10 16 1 11 15 1 17 11 -2 12 15 1 13 17 1 14 15 1 14 16 1 16 17 1', '17 19 H 19.31 -13.28 H 15.94 -12.83 C:16 14.30 -8.75 C:26 17.99 -14.07 C:26 16.04 -13.65 O 20.65 -11.28 C:37 18.62 -9.98 C:37 13.89 -11.28 C:32 17.22 -9.65 C:26 14.75 -12.44 C:43 17.62 -11.28 C:215 19.25 -11.28 C:42 14.75 -10.11 C:43 17.22 -12.88 C:67 18.62 -12.56 C:57 16.12 -11.99 C:54 16.12 -10.55 15 1 -1 16 2 -1 13 3 -1 14 4 -2 14 5 -1 6 12 2 7 9 1 7 12 1 8 10 1 8 13 1 9 17 1 10 16 1 11 15 1 17 11 -2 12 15 1 13 17 1 14 15 1 14 16 1 16 17 1', 'C14H22O', 206.165, 'C', 'ph64_303_37', 4050, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16181, '', '4-Hydroxy-2-isopropenyl-5-methylene-hexan-1-ol', 'Terpenoids', 'Monoterpenoids', 'Miscellanea', '[CH2:7]=[C:5]([CH3:6])[CH:4](O)[CH2:3][CH:2]([CH2:1]O)[C:8](=[CH2:9])[CH3:10]', 'C=C(C)C(O)CC(CO)C(=C)C', '[CH2:111]=[C:148]([CH3:18])[CH:74](O)[CH2:36][CH:47]([CH2:65]O)[C:145](=[CH2:114])[CH3:20]', '12 11 C:7 14.83 -9.32 C:9 19.67 -9.32 C:6 13.62 -11.42 C:10 20.88 -11.42 O 19.67 -13.53 O 16.04 -12.83 C:1 18.46 -12.83 C:3 17.25 -10.72 C:5 14.83 -10.72 C:8 19.67 -10.72 C:4 16.04 -11.42 C:2 18.46 -11.42 1 9 2 2 10 2 3 9 1 4 10 1 5 7 1 6 11 1 7 12 1 8 11 1 8 12 1 9 11 1 10 12 1', '12 11 C 14.83 -9.32 C 19.67 -9.32 C 13.62 -11.42 C 20.88 -11.42 O 19.67 -13.53 O 16.04 -12.83 C 18.46 -12.83 C 17.25 -10.72 C 14.83 -10.72 C 19.67 -10.72 C 16.04 -11.42 C 18.46 -11.42 1 9 2 2 10 2 3 9 1 4 10 1 5 7 1 6 11 1 7 12 1 8 11 1 8 12 1 9 11 1 10 12 1', '12 11 C:111 14.83 -9.32 C:114 19.67 -9.32 C:18 13.62 -11.42 C:20 20.88 -11.42 O 19.67 -13.53 O 16.04 -12.83 C:65 18.46 -12.83 C:36 17.25 -10.72 C:148 14.83 -10.72 C:145 19.67 -10.72 C:74 16.04 -11.42 C:47 18.46 -11.42 1 9 2 2 10 2 3 9 1 4 10 1 5 7 1 6 11 1 7 12 1 8 11 1 8 12 1 9 11 1 10 12 1', 'C10H18O2', 170.106, 'C', 'ph64_303_38', 4050, '', '', '1', 47, 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
(16198, 'Hyatolide E', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:14]23[CH:15]=[CH:16][C:17]1=[C:18]([C:19](=O)O[C@H:20]1O)[C@@:13]2([CH3:25])[C@@H:12](O[C:12001]([CH3:12002])=O)[CH2:11][C@@:9]5([H])[C@@:8]3([CH3:24])[CH2:7][CH2:6][C@@:5]4([H])[C@@:4]([CH3:21])([CH3:22])[CH2:3][CH2:2][CH2:1][C@@:10]45[CH3:23]', '[H][C@@]23C=CC1=C(C(=O)O[C@H]1O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@]5([H])[C@@]3(C)CC[C@@]4([H])[C@@](C)(C)CCC[C@@]45C', '[H][C@@:54]23[CH:138]=[CH:119][C:154]1=[C:133]([C:168](=O)O[C@H:95]1O)[C@@:40]2([CH3:17])[C@@H:72](O[C:170]([CH3:21])=O)[CH2:21][C@@:52]5([H])[C@@:37]3([CH3:19])[CH2:41][CH2:18][C@@:57]4([H])[C@@:33]([CH3:33])([CH3:21])[CH2:42][CH2:18][CH2:40][C@@:37]45[CH3:16]', '35 39 H 17.99 -13.27 H 14.21 -15.49 H 15.45 -13.27 C:12002 15.57 -6.57 C:21 13.93 -16.24 C:22 11.90 -16.16 C:24 16.74 -11.60 C:23 14.21 -11.53 C:25 17.99 -9.41 O 14.35 -8.65 O 18.56 -7.71 O 22.80 -10.15 C:16 20.42 -12.25 C:15 19.21 -12.94 C:2 11.69 -13.01 C:3 11.69 -14.47 C:1 12.96 -12.25 C:6 15.45 -15.19 C:7 16.74 -14.47 C:11 15.45 -10.80 O 20.89 -8.59 O 16.74 -8.65 C:12001 15.57 -7.97 C:19 19.50 -8.65 C:17 20.42 -10.80 C:18 19.21 -10.09 C:20 21.46 -9.86 C:12 16.74 -10.09 C:4 12.96 -15.19 C:14 17.99 -12.25 C:5 14.21 -14.47 C:9 15.45 -12.25 C:8 16.74 -13.01 C:10 14.21 -13.01 C:13 17.99 -10.80 30 1 -2 31 2 -2 32 3 -2 4 23 1 29 5 -2 29 6 -1 33 7 -1 34 8 -1 35 9 -1 10 23 2 11 24 2 27 12 -1 13 14 2 13 25 1 14 30 1 15 16 1 15 17 1 16 29 1 17 34 1 18 19 1 18 31 1 19 33 1 20 28 1 20 32 1 21 24 1 21 27 1 22 23 1 28 22 -2 24 26 1 25 26 2 25 27 1 26 35 1 28 35 1 29 31 1 30 33 1 30 35 1 31 34 1 32 33 1 32 34 1', '35 39 H 17.99 -13.27 H 14.21 -15.49 H 15.45 -13.27 C 15.57 -6.57 C 13.93 -16.24 C 11.90 -16.16 C 16.74 -11.60 C 14.21 -11.53 C 17.99 -9.41 O 14.35 -8.65 O 18.56 -7.71 O 22.80 -10.15 C 20.42 -12.25 C 19.21 -12.94 C 11.69 -13.01 C 11.69 -14.47 C 12.96 -12.25 C 15.45 -15.19 C 16.74 -14.47 C 15.45 -10.80 O 20.89 -8.59 O 16.74 -8.65 C 15.57 -7.97 C 19.50 -8.65 C 20.42 -10.80 C 19.21 -10.09 C 21.46 -9.86 C 16.74 -10.09 C 12.96 -15.19 C 17.99 -12.25 C 14.21 -14.47 C 15.45 -12.25 C 16.74 -13.01 C 14.21 -13.01 C 17.99 -10.80 30 1 -2 31 2 -2 32 3 -2 4 23 1 29 5 -2 29 6 -1 33 7 -1 34 8 -1 35 9 -1 10 23 2 11 24 2 27 12 -1 13 14 2 13 25 1 14 30 1 15 16 1 15 17 1 16 29 1 17 34 1 18 19 1 18 31 1 19 33 1 20 28 1 20 32 1 21 24 1 21 27 1 22 23 1 28 22 -2 24 26 1 25 26 2 25 27 1 26 35 1 28 35 1 29 31 1 30 33 1 30 35 1 31 34 1 32 33 1 32 34 1', '35 39 H 17.99 -13.27 H 14.21 -15.49 H 15.45 -13.27 C:21 15.57 -6.57 C:33 13.93 -16.24 C:21 11.90 -16.16 C:19 16.74 -11.60 C:16 14.21 -11.53 C:17 17.99 -9.41 O 14.35 -8.65 O 18.56 -7.71 O 22.80 -10.15 C:119 20.42 -12.25 C:138 19.21 -12.94 C:18 11.69 -13.01 C:42 11.69 -14.47 C:40 12.96 -12.25 C:18 15.45 -15.19 C:41 16.74 -14.47 C:21 15.45 -10.80 O 20.89 -8.59 O 16.74 -8.65 C:170 15.57 -7.97 C:168 19.50 -8.65 C:154 20.42 -10.80 C:133 19.21 -10.09 C:95 21.46 -9.86 C:72 16.74 -10.09 C:33 12.96 -15.19 C:54 17.99 -12.25 C:57 14.21 -14.47 C:52 15.45 -12.25 C:37 16.74 -13.01 C:37 14.21 -13.01 C:40 17.99 -10.80 30 1 -2 31 2 -2 32 3 -2 4 23 1 29 5 -2 29 6 -1 33 7 -1 34 8 -1 35 9 -1 10 23 2 11 24 2 27 12 -1 13 14 2 13 25 1 14 30 1 15 16 1 15 17 1 16 29 1 17 34 1 18 19 1 18 31 1 19 33 1 20 28 1 20 32 1 21 24 1 21 27 1 22 23 1 28 22 -2 24 26 1 25 26 2 25 27 1 26 35 1 28 35 1 29 31 1 30 33 1 30 35 1 31 34 1 32 33 1 32 34 1', 'C27H38O5', 442.31, 'C', 'tt06_5392_10  ', 4051, '', '', '1', 47, NULL, NULL),
(16199, '20-O-Acetylhyatolide E', '', 'Terpenoids', 'Sesterterpenoids', 'Scalaranes', '[H][C@@:14]23[CH:15]=[CH:16][C:17]1=[C:18]([C:19](=O)O[C@H:20]1O[C:20001]([CH3:20002])=O)[C@@:13]2([CH3:25])[C@@H:12](O[C:12001]([CH3:12002])=O)[CH2:11][C@@:9]5([H])[C@@:8]3([CH3:24])[CH2:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:22])([CH3:21])[CH2:3][CH2:2][CH2:1][C@@:10]45[CH3:23]', '[H][C@@]23C=CC1=C(C(=O)O[C@H]1OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@]5([H])[C@@]3(C)CC[C@@]4([H])[C@](C)(C)CCC[C@@]45C', '[H][C@@:54]23[CH:139]=[CH:118][C:153]1=[C:134]([C:168](=O)O[C@H:91]1O[C:169]([CH3:21])=O)[C@@:40]2([CH3:17])[C@@H:72](O[C:170]([CH3:21])=O)[CH2:21][C@@:52]5([H])[C@@:37]3([CH3:19])[CH2:41][CH2:18][C@@:57]4([H])[C@:33]([CH3:21])([CH3:33])[CH2:42][CH2:18][CH2:40][C@@:37]45[CH3:16]', '38 42 H 17.10 -13.28 H 13.32 -15.50 H 14.56 -13.28 C:20002 23.71 -11.78 C:12002 14.68 -6.57 C:22 11.01 -16.17 C:21 13.04 -16.25 C:24 15.85 -11.61 C:23 13.32 -11.54 C:25 17.10 -9.42 O 21.41 -12.53 O 13.46 -8.65 O 17.67 -7.71 C:16 19.53 -12.26 C:15 18.32 -12.95 C:2 10.80 -13.02 C:3 10.80 -14.48 C:1 12.07 -12.26 C:6 14.56 -15.20 C:7 15.85 -14.48 C:11 14.56 -10.81 O 21.91 -10.16 O 15.85 -8.65 O 20.00 -8.59 C:20001 22.34 -11.54 C:12001 14.68 -7.97 C:19 18.61 -8.65 C:17 19.53 -10.81 C:18 18.32 -10.10 C:20 20.57 -9.87 C:12 15.85 -10.10 C:4 12.07 -15.20 C:14 17.10 -12.26 C:5 13.32 -14.48 C:9 14.56 -12.26 C:8 15.85 -13.02 C:10 13.32 -13.02 C:13 17.10 -10.81 33 1 -2 34 2 -2 35 3 -2 4 25 1 5 26 1 32 6 -1 32 7 -2 36 8 -1 37 9 -1 38 10 -1 11 25 2 12 26 2 13 27 2 14 15 2 14 28 1 15 33 1 16 17 1 16 18 1 17 32 1 18 37 1 19 20 1 19 34 1 20 36 1 21 31 1 21 35 1 22 25 1 30 22 -1 23 26 1 31 23 -2 24 27 1 24 30 1 27 29 1 28 29 2 28 30 1 29 38 1 31 38 1 32 34 1 33 36 1 33 38 1 34 37 1 35 36 1 35 37 1', '38 42 H 17.10 -13.28 H 13.32 -15.50 H 14.56 -13.28 C 23.71 -11.78 C 14.68 -6.57 C 11.01 -16.17 C 13.04 -16.25 C 15.85 -11.61 C 13.32 -11.54 C 17.10 -9.42 O 21.41 -12.53 O 13.46 -8.65 O 17.67 -7.71 C 19.53 -12.26 C 18.32 -12.95 C 10.80 -13.02 C 10.80 -14.48 C 12.07 -12.26 C 14.56 -15.20 C 15.85 -14.48 C 14.56 -10.81 O 21.91 -10.16 O 15.85 -8.65 O 20.00 -8.59 C 22.34 -11.54 C 14.68 -7.97 C 18.61 -8.65 C 19.53 -10.81 C 18.32 -10.10 C 20.57 -9.87 C 15.85 -10.10 C 12.07 -15.20 C 17.10 -12.26 C 13.32 -14.48 C 14.56 -12.26 C 15.85 -13.02 C 13.32 -13.02 C 17.10 -10.81 33 1 -2 34 2 -2 35 3 -2 4 25 1 5 26 1 32 6 -1 32 7 -2 36 8 -1 37 9 -1 38 10 -1 11 25 2 12 26 2 13 27 2 14 15 2 14 28 1 15 33 1 16 17 1 16 18 1 17 32 1 18 37 1 19 20 1 19 34 1 20 36 1 21 31 1 21 35 1 22 25 1 30 22 -1 23 26 1 31 23 -2 24 27 1 24 30 1 27 29 1 28 29 2 28 30 1 29 38 1 31 38 1 32 34 1 33 36 1 33 38 1 34 37 1 35 36 1 35 37 1', '38 42 H 17.10 -13.28 H 13.32 -15.50 H 14.56 -13.28 C:21 23.71 -11.78 C:21 14.68 -6.57 C:21 11.01 -16.17 C:33 13.04 -16.25 C:19 15.85 -11.61 C:16 13.32 -11.54 C:17 17.10 -9.42 O 21.41 -12.53 O 13.46 -8.65 O 17.67 -7.71 C:118 19.53 -12.26 C:139 18.32 -12.95 C:18 10.80 -13.02 C:42 10.80 -14.48 C:40 12.07 -12.26 C:18 14.56 -15.20 C:41 15.85 -14.48 C:21 14.56 -10.81 O 21.91 -10.16 O 15.85 -8.65 O 20.00 -8.59 C:169 22.34 -11.54 C:170 14.68 -7.97 C:168 18.61 -8.65 C:153 19.53 -10.81 C:134 18.32 -10.10 C:91 20.57 -9.87 C:72 15.85 -10.10 C:33 12.07 -15.20 C:54 17.10 -12.26 C:57 13.32 -14.48 C:52 14.56 -12.26 C:37 15.85 -13.02 C:37 13.32 -13.02 C:40 17.10 -10.81 33 1 -2 34 2 -2 35 3 -2 4 25 1 5 26 1 32 6 -1 32 7 -2 36 8 -1 37 9 -1 38 10 -1 11 25 2 12 26 2 13 27 2 14 15 2 14 28 1 15 33 1 16 17 1 16 18 1 17 32 1 18 37 1 19 20 1 19 34 1 20 36 1 21 31 1 21 35 1 22 25 1 30 22 -1 23 26 1 31 23 -2 24 27 1 24 30 1 27 29 1 28 29 2 28 30 1 29 38 1 31 38 1 32 34 1 33 36 1 33 38 1 34 37 1 35 36 1 35 37 1', 'C29H40O6', 484.331, 'C', 'tt06_5392_10a', 4051, '', '', '1', 47, 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
(16212, 'Briarein', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@@:7]1(O)[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@H:12](O)[C@@:11]3([CH3:20])O', '[H][C@@]23CC1=C(C)C(=O)O[C@@]1(O)C=C(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]3(C)O', '[H][C@@:40]23[CH2:25][C:160]1=[C:128]([CH3:10])[C:171](=O)O[C@@:106]1(O)[CH:125]=[C:146]([CH3:23])[CH2:28][CH2:31][C@H:77](O[C:171]([CH3:21])=O)[C@@:44]2([CH3:13])[C@@H:76](O[C:169]([CH3:21])=O)[CH2:27][C@H:76](O)[C@@:78]3([CH3:31])O', '34 36 H 16.83 -11.68 C:2002 16.53 -5.88 C:14002 13.75 -6.61 C:16 21.94 -10.15 C:18 17.23 -16.07 C:20 15.65 -14.05 C:15 16.12 -9.25 O 18.57 -7.12 O 12.52 -8.68 O 20.21 -17.00 O 12.61 -12.89 O 14.25 -14.05 O 21.10 -12.97 C:6 20.58 -12.18 C:4 19.76 -9.54 C:3 18.39 -9.13 C:13 13.82 -10.84 C:9 16.92 -13.37 O 16.41 -8.30 O 14.96 -8.75 O 20.58 -14.56 C:2001 17.17 -7.12 C:14001 13.75 -8.01 C:5 20.58 -10.71 C:17 18.39 -15.27 C:19 19.76 -15.67 C:8 18.39 -13.88 C:12 13.82 -12.18 C:2 17.05 -9.54 C:14 14.96 -10.15 C:11 14.96 -12.89 C:10 16.12 -12.18 C:7 19.76 -13.42 C:1 16.12 -10.84 32 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 31 6 -1 34 7 -1 8 22 2 9 23 2 10 26 2 28 11 -1 31 12 -2 33 13 -1 14 24 2 14 33 1 15 16 1 15 24 1 16 29 1 17 28 1 17 30 1 18 27 1 18 32 1 19 22 1 29 19 -1 20 23 1 30 20 -2 21 26 1 21 33 1 25 26 1 25 27 2 27 33 1 28 31 1 29 34 1 30 34 1 31 32 1 32 34 1', '34 36 H 16.83 -11.68 C 16.53 -5.88 C 13.75 -6.61 C 21.94 -10.15 C 17.23 -16.07 C 15.65 -14.05 C 16.12 -9.25 O 18.57 -7.12 O 12.52 -8.68 O 20.21 -17.00 O 12.61 -12.89 O 14.25 -14.05 O 21.10 -12.97 C 20.58 -12.18 C 19.76 -9.54 C 18.39 -9.13 C 13.82 -10.84 C 16.92 -13.37 O 16.41 -8.30 O 14.96 -8.75 O 20.58 -14.56 C 17.17 -7.12 C 13.75 -8.01 C 20.58 -10.71 C 18.39 -15.27 C 19.76 -15.67 C 18.39 -13.88 C 13.82 -12.18 C 17.05 -9.54 C 14.96 -10.15 C 14.96 -12.89 C 16.12 -12.18 C 19.76 -13.42 C 16.12 -10.84 32 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 31 6 -1 34 7 -1 8 22 2 9 23 2 10 26 2 28 11 -1 31 12 -2 33 13 -1 14 24 2 14 33 1 15 16 1 15 24 1 16 29 1 17 28 1 17 30 1 18 27 1 18 32 1 19 22 1 29 19 -1 20 23 1 30 20 -2 21 26 1 21 33 1 25 26 1 25 27 2 27 33 1 28 31 1 29 34 1 30 34 1 31 32 1 32 34 1', '34 36 H 16.83 -11.68 C:21 16.53 -5.88 C:21 13.75 -6.61 C:23 21.94 -10.15 C:10 17.23 -16.07 C:31 15.65 -14.05 C:13 16.12 -9.25 O 18.57 -7.12 O 12.52 -8.68 O 20.21 -17.00 O 12.61 -12.89 O 14.25 -14.05 O 21.10 -12.97 C:125 20.58 -12.18 C:28 19.76 -9.54 C:31 18.39 -9.13 C:27 13.82 -10.84 C:25 16.92 -13.37 O 16.41 -8.30 O 14.96 -8.75 O 20.58 -14.56 C:171 17.17 -7.12 C:169 13.75 -8.01 C:146 20.58 -10.71 C:128 18.39 -15.27 C:171 19.76 -15.67 C:160 18.39 -13.88 C:76 13.82 -12.18 C:77 17.05 -9.54 C:76 14.96 -10.15 C:78 14.96 -12.89 C:40 16.12 -12.18 C:106 19.76 -13.42 C:44 16.12 -10.84 32 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 31 6 -1 34 7 -1 8 22 2 9 23 2 10 26 2 28 11 -1 31 12 -2 33 13 -1 14 24 2 14 33 1 15 16 1 15 24 1 16 29 1 17 28 1 17 30 1 18 27 1 18 32 1 19 22 1 29 19 -1 20 23 1 30 20 -2 21 26 1 21 33 1 25 26 1 25 27 2 27 33 1 28 31 1 29 34 1 30 34 1 31 32 1 32 34 1', 'C24H34O9', 466.259, 'C', 'np06_1721_9', 3388, '', '', '1', 45, NULL, NULL),
(16213, 'Pinnatin A', '', 'Terpenoids', 'Diterpenoids', 'Gersolanes', '[H][C@@:7]12[CH2:9][C@@:8]1([CH3:19])[C@H:10]4[CH:11]=[C:12]([CH2:13][CH2:14][C@@H:1]([C:15](=[CH2:16])[CH3:17])[C@@H:2](O)[c:3]3o[c:6]2[cH:5][c:4]3[CH3:18])[C:20](=O)O4', '[H][C@@]12C[C@@]1(C)[C@H]4C=C(CC[C@@H](C(=C)C)[C@@H](O)c3oc2cc3C)C(=O)O4', '[H][C@@:18]12[CH2:22][C@@:23]1([CH3:14])[C@H:81]4[CH:153]=[C:131]([CH2:21][CH2:26][C@@H:51]([C:146](=[CH2:113])[CH3:20])[C@@H:67](O)[c:150]3o[c:151]2[cH:109][c:117]3[CH3:10])[C:175](=O)O4', '25 28 H 12.52 -8.11 C:16 20.82 -9.32 C:17 20.75 -11.77 C:18 17.05 -6.21 C:19 11.41 -11.05 O 14.34 -14.91 O 18.81 -8.01 C:11 14.93 -11.33 C:5 14.84 -7.35 C:13 16.89 -12.76 C:14 18.07 -11.94 C:9 11.69 -9.32 O 13.21 -12.76 O 15.51 -9.48 C:15 20.04 -10.55 C:20 14.34 -13.50 C:12 15.44 -12.59 C:4 16.21 -7.35 C:6 14.40 -8.68 C:3 16.61 -8.68 C:10 13.53 -11.44 C:2 17.95 -9.12 C:1 18.53 -10.55 C:7 13.06 -8.97 C:8 12.65 -10.38 24 1 -2 2 15 2 3 15 1 4 18 1 25 5 -1 6 16 2 22 7 -2 8 17 2 8 21 1 9 18 1 9 19 2 10 11 1 10 17 1 11 23 1 12 24 1 12 25 1 13 16 1 21 13 -1 14 19 1 14 20 1 23 15 -2 16 17 1 18 20 2 19 24 1 20 22 1 21 25 1 22 23 1 24 25 1', '25 28 H 12.52 -8.11 C 20.82 -9.32 C 20.75 -11.77 C 17.05 -6.21 C 11.41 -11.05 O 14.34 -14.91 O 18.81 -8.01 C 14.93 -11.33 C 14.84 -7.35 C 16.89 -12.76 C 18.07 -11.94 C 11.69 -9.32 O 13.21 -12.76 O 15.51 -9.48 C 20.04 -10.55 C 14.34 -13.50 C 15.44 -12.59 C 16.21 -7.35 C 14.40 -8.68 C 16.61 -8.68 C 13.53 -11.44 C 17.95 -9.12 C 18.53 -10.55 C 13.06 -8.97 C 12.65 -10.38 24 1 -2 2 15 2 3 15 1 4 18 1 25 5 -1 6 16 2 22 7 -2 8 17 2 8 21 1 9 18 1 9 19 2 10 11 1 10 17 1 11 23 1 12 24 1 12 25 1 13 16 1 21 13 -1 14 19 1 14 20 1 23 15 -2 16 17 1 18 20 2 19 24 1 20 22 1 21 25 1 22 23 1 24 25 1', '25 28 H 12.52 -8.11 C:113 20.82 -9.32 C:20 20.75 -11.77 C:10 17.05 -6.21 C:14 11.41 -11.05 O 14.34 -14.91 O 18.81 -8.01 C:153 14.93 -11.33 C:109 14.84 -7.35 C:21 16.89 -12.76 C:26 18.07 -11.94 C:22 11.69 -9.32 O 13.21 -12.76 O 15.51 -9.48 C:146 20.04 -10.55 C:175 14.34 -13.50 C:131 15.44 -12.59 C:117 16.21 -7.35 C:151 14.40 -8.68 C:150 16.61 -8.68 C:81 13.53 -11.44 C:67 17.95 -9.12 C:51 18.53 -10.55 C:18 13.06 -8.97 C:23 12.65 -10.38 24 1 -2 2 15 2 3 15 1 4 18 1 25 5 -1 6 16 2 22 7 -2 8 17 2 8 21 1 9 18 1 9 19 2 10 11 1 10 17 1 11 23 1 12 24 1 12 25 1 13 16 1 21 13 -1 14 19 1 14 20 1 23 15 -2 16 17 1 18 20 2 19 24 1 20 22 1 21 25 1 22 23 1 24 25 1', 'C20H24O4', 328.22, 'C', 'joc98_4425_3', 4053, '', 'Pseudopterogorgia bipinnata, antitumor', '1', 45, NULL, NULL),
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(16225, 'Labiatina C', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@@:9]12[CH2:8][C:7](=[CH2:16])[C@H:6](O)[CH2:5][CH2:4][C@:3]([CH3:15])(O[C:3001]([CH3:3002])=O)[C@@:2]([H])(O1)[C@@:1]3([H])[C@H:14]([CH:18]([CH3:19])[CH3:20])[CH2:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]([CH3:17])(O[C:11001]([CH3:11002])=O)[C@@:10]23[H]', '[H][C@@]12CC(=C)[C@H](O)CC[C@](C)(OC(C)=O)[C@@]([H])(O1)[C@@]3([H])[C@H](C(C)C)C[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@]23[H]', '[H][C@@:78]12[CH2:42][C:145](=[CH2:119])[C@H:87](O)[CH2:30][CH2:30][C@:85]([CH3:22])(O[C:170]([CH3:23])=O)[C@@:89]([H])(O1)[C@@:41]3([H])[C@H:36]([CH:27]([CH3:15])[CH3:22])[CH2:23][C@@H:73](O[C:170]([CH3:21])=O)[C@:81]([CH3:23])(O[C:170]([CH3:22])=O)[C@@:44]23[H]', '38 40 H 18.23 -9.17 H 18.23 -13.52 H 17.21 -12.95 H 17.21 -9.63 C:16 21.97 -8.19 C:12002 10.93 -10.05 C:3002 18.89 -16.76 C:11002 15.32 -6.13 C:19 14.71 -14.96 C:20 17.10 -14.96 C:15 20.56 -14.43 C:17 16.65 -8.57 O 12.17 -12.09 O 21.07 -15.59 O 17.39 -7.36 O 23.61 -9.94 C:5 22.33 -12.04 C:4 21.35 -13.14 C:13 14.60 -12.04 C:8 19.84 -9.45 O 13.35 -9.94 O 19.06 -14.33 O 15.25 -8.57 O 19.60 -11.30 C:12001 12.17 -10.69 C:3001 19.67 -15.59 C:11001 15.99 -7.36 C:7 21.35 -9.45 C:18 15.92 -14.26 C:6 22.33 -10.58 C:12 14.60 -10.58 C:14 15.92 -12.78 C:9 18.68 -10.05 C:2 18.68 -12.53 C:3 19.84 -13.14 C:1 17.21 -12.04 C:10 17.21 -10.58 C:11 15.92 -9.80 33 1 -1 34 2 -1 36 3 -2 37 4 -2 5 28 2 6 25 1 7 26 1 8 27 1 9 29 1 10 29 1 35 11 -1 38 12 -1 13 25 2 14 26 2 15 27 2 30 16 -2 17 18 1 17 30 1 18 35 1 19 31 1 19 32 1 20 28 1 20 33 1 21 25 1 31 21 -1 22 26 1 35 22 -2 23 27 1 38 23 -2 24 33 1 24 34 1 28 30 1 32 29 -2 31 38 1 32 36 1 33 37 1 34 35 1 34 36 1 36 37 1 37 38 1', '38 40 H 18.23 -9.17 H 18.23 -13.52 H 17.21 -12.95 H 17.21 -9.63 C 21.97 -8.19 C 10.93 -10.05 C 18.89 -16.76 C 15.32 -6.13 C 14.71 -14.96 C 17.10 -14.96 C 20.56 -14.43 C 16.65 -8.57 O 12.17 -12.09 O 21.07 -15.59 O 17.39 -7.36 O 23.61 -9.94 C 22.33 -12.04 C 21.35 -13.14 C 14.60 -12.04 C 19.84 -9.45 O 13.35 -9.94 O 19.06 -14.33 O 15.25 -8.57 O 19.60 -11.30 C 12.17 -10.69 C 19.67 -15.59 C 15.99 -7.36 C 21.35 -9.45 C 15.92 -14.26 C 22.33 -10.58 C 14.60 -10.58 C 15.92 -12.78 C 18.68 -10.05 C 18.68 -12.53 C 19.84 -13.14 C 17.21 -12.04 C 17.21 -10.58 C 15.92 -9.80 33 1 -1 34 2 -1 36 3 -2 37 4 -2 5 28 2 6 25 1 7 26 1 8 27 1 9 29 1 10 29 1 35 11 -1 38 12 -1 13 25 2 14 26 2 15 27 2 30 16 -2 17 18 1 17 30 1 18 35 1 19 31 1 19 32 1 20 28 1 20 33 1 21 25 1 31 21 -1 22 26 1 35 22 -2 23 27 1 38 23 -2 24 33 1 24 34 1 28 30 1 32 29 -2 31 38 1 32 36 1 33 37 1 34 35 1 34 36 1 36 37 1 37 38 1', '38 40 H 18.23 -9.17 H 18.23 -13.52 H 17.21 -12.95 H 17.21 -9.63 C:119 21.97 -8.19 C:21 10.93 -10.05 C:23 18.89 -16.76 C:22 15.32 -6.13 C:15 14.71 -14.96 C:22 17.10 -14.96 C:22 20.56 -14.43 C:23 16.65 -8.57 O 12.17 -12.09 O 21.07 -15.59 O 17.39 -7.36 O 23.61 -9.94 C:30 22.33 -12.04 C:30 21.35 -13.14 C:23 14.60 -12.04 C:42 19.84 -9.45 O 13.35 -9.94 O 19.06 -14.33 O 15.25 -8.57 O 19.60 -11.30 C:170 12.17 -10.69 C:170 19.67 -15.59 C:170 15.99 -7.36 C:145 21.35 -9.45 C:27 15.92 -14.26 C:87 22.33 -10.58 C:73 14.60 -10.58 C:36 15.92 -12.78 C:78 18.68 -10.05 C:89 18.68 -12.53 C:85 19.84 -13.14 C:41 17.21 -12.04 C:44 17.21 -10.58 C:81 15.92 -9.80 33 1 -1 34 2 -1 36 3 -2 37 4 -2 5 28 2 6 25 1 7 26 1 8 27 1 9 29 1 10 29 1 35 11 -1 38 12 -1 13 25 2 14 26 2 15 27 2 30 16 -2 17 18 1 17 30 1 18 35 1 19 31 1 19 32 1 20 28 1 20 33 1 21 25 1 31 21 -1 22 26 1 35 22 -2 23 27 1 38 23 -2 24 33 1 24 34 1 28 30 1 32 29 -2 31 38 1 32 36 1 33 37 1 34 35 1 34 36 1 36 37 1 37 38 1', 'C26H40O8', 480.305, 'C', 'tt96_2735_5', 4055, '', 'Eunicella labiata', '1', 45, 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
(16226, 'Compuesto 1', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@@:9]12[CH2:8][C@@:7]([CH3:16])(O)[C@H:6](O[C:6001]([CH3:6002])=O)[CH2:5][CH2:4][C@:3]([CH3:15])(O[C:3001]([CH3:3002])=O)[C@@:2]([H])(O1)[C@@:1]3([H])[C@H:14]([CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:12][C@:11]([CH3:17])(O[C:11001]([CH3:11002])=O)[C@@:10]23[H]', '[H][C@@]12C[C@@](C)(O)[C@H](OC(C)=O)CC[C@](C)(OC(C)=O)[C@@]([H])(O1)[C@@]3([H])[C@H](C(C)C)CC[C@](C)(OC(C)=O)[C@@]23[H]', '[H][C@@:75]12[CH2:48][C@@:76]([CH3:23])(O)[C@H:84](O[C:9999]([CH3:9999])=O)[CH2:30][CH2:36][C@:87]([CH3:22])(O[C:171]([CH3:22])=O)[C@@:92]([H])(O1)[C@@:43]3([H])[C@H:43]([CH:29]([CH3:22])[CH3:15])[CH2:17][CH2:32][C@:82]([CH3:24])(O[C:171]([CH3:21])=O)[C@@:52]23[H]', '38 40 H 15.13 -9.13 H 15.13 -13.49 H 14.11 -12.92 H 14.11 -9.59 C:6002 22.95 -10.17 C:3002 15.89 -16.71 C:11002 12.22 -6.09 C:19 11.61 -14.93 C:20 14.00 -14.93 C:16 19.41 -8.61 C:15 17.42 -14.40 C:17 13.55 -8.52 O 21.52 -12.14 O 18.04 -15.53 O 14.28 -7.32 O 18.13 -8.01 C:5 19.25 -12.00 C:13 11.50 -12.00 C:4 18.26 -13.11 C:12 11.50 -10.51 C:8 16.74 -9.41 O 20.53 -9.93 O 15.99 -14.29 O 12.15 -8.52 O 16.50 -11.26 C:6001 21.67 -10.75 C:3001 16.64 -15.53 C:11001 12.88 -7.32 C:18 12.82 -14.23 C:6 19.25 -10.51 C:14 12.82 -12.75 C:7 18.26 -9.41 C:9 15.58 -10.01 C:3 16.74 -13.11 C:11 12.82 -9.75 C:2 15.58 -12.49 C:1 14.11 -12.00 C:10 14.11 -10.51 33 1 -1 36 2 -1 37 3 -2 38 4 -2 5 26 1 6 27 1 7 28 1 8 29 1 9 29 1 32 10 -2 34 11 -1 35 12 -1 13 26 2 14 27 2 15 28 2 32 16 -1 17 19 1 17 30 1 18 20 1 18 31 1 19 34 1 20 35 1 21 32 1 21 33 1 22 26 1 30 22 -2 23 27 1 34 23 -2 24 28 1 35 24 -2 25 33 1 25 36 1 31 29 -2 30 32 1 31 37 1 33 38 1 34 36 1 35 38 1 36 37 1 37 38 1', '38 40 H 15.13 -9.13 H 15.13 -13.49 H 14.11 -12.92 H 14.11 -9.59 C 22.95 -10.17 C 15.89 -16.71 C 12.22 -6.09 C 11.61 -14.93 C 14.00 -14.93 C 19.41 -8.61 C 17.42 -14.40 C 13.55 -8.52 O 21.52 -12.14 O 18.04 -15.53 O 14.28 -7.32 O 18.13 -8.01 C 19.25 -12.00 C 11.50 -12.00 C 18.26 -13.11 C 11.50 -10.51 C 16.74 -9.41 O 20.53 -9.93 O 15.99 -14.29 O 12.15 -8.52 O 16.50 -11.26 C 21.67 -10.75 C 16.64 -15.53 C 12.88 -7.32 C 12.82 -14.23 C 19.25 -10.51 C 12.82 -12.75 C 18.26 -9.41 C 15.58 -10.01 C 16.74 -13.11 C 12.82 -9.75 C 15.58 -12.49 C 14.11 -12.00 C 14.11 -10.51 33 1 -1 36 2 -1 37 3 -2 38 4 -2 5 26 1 6 27 1 7 28 1 8 29 1 9 29 1 32 10 -2 34 11 -1 35 12 -1 13 26 2 14 27 2 15 28 2 32 16 -1 17 19 1 17 30 1 18 20 1 18 31 1 19 34 1 20 35 1 21 32 1 21 33 1 22 26 1 30 22 -2 23 27 1 34 23 -2 24 28 1 35 24 -2 25 33 1 25 36 1 31 29 -2 30 32 1 31 37 1 33 38 1 34 36 1 35 38 1 36 37 1 37 38 1', '38 40 H 15.13 -9.13 H 15.13 -13.49 H 14.11 -12.92 H 14.11 -9.59 C 22.95 -10.17 C:22 15.89 -16.71 C:21 12.22 -6.09 C:22 11.61 -14.93 C:15 14.00 -14.93 C:23 19.41 -8.61 C:22 17.42 -14.40 C:24 13.55 -8.52 O 21.52 -12.14 O 18.04 -15.53 O 14.28 -7.32 O 18.13 -8.01 C:30 19.25 -12.00 C:17 11.50 -12.00 C:36 18.26 -13.11 C:32 11.50 -10.51 C:48 16.74 -9.41 O 20.53 -9.93 O 15.99 -14.29 O 12.15 -8.52 O 16.50 -11.26 C 21.67 -10.75 C:171 16.64 -15.53 C:171 12.88 -7.32 C:29 12.82 -14.23 C:84 19.25 -10.51 C:43 12.82 -12.75 C:76 18.26 -9.41 C:75 15.58 -10.01 C:87 16.74 -13.11 C:82 12.82 -9.75 C:92 15.58 -12.49 C:43 14.11 -12.00 C:52 14.11 -10.51 33 1 -1 36 2 -1 37 3 -2 38 4 -2 5 26 1 6 27 1 7 28 1 8 29 1 9 29 1 32 10 -2 34 11 -1 35 12 -1 13 26 2 14 27 2 15 28 2 32 16 -1 17 19 1 17 30 1 18 20 1 18 31 1 19 34 1 20 35 1 21 32 1 21 33 1 22 26 1 30 22 -2 23 27 1 34 23 -2 24 28 1 35 24 -2 25 33 1 25 36 1 31 29 -2 30 32 1 31 37 1 33 38 1 34 36 1 35 38 1 36 37 1 37 38 1', 'C26H42O8', 482.305, 'C', 'tt06_8770_1', 4056, '', 'Acalycigorgia sp', '1', 45, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16253, '', '5,7,4-Trihydroxy-3-methoxy-8-methylflavone', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:3001]O[c:3]3[c:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][cH:102]1)o[c:9]2[c:8]([CH3:8001])[c:7](O)[cH:6][c:5](O)[c:10]2[c:4]3=O', 'COc3c(c1ccc(O)cc1)oc2c(C)c(O)cc(O)c2c3=O', '[CH3:60]O[c:140]3[c:155]([c:123]1[cH:131][cH:117][c:152](O)[cH:117][cH:131]1)o[c:157]2[c:102]([CH3:8])[c:161](O)[cH:99][c:161](O)[c:105]2[c:180]3=O', '23 25 C:3001 19.06 -14.56 C:8001 14.23 -8.96 O 16.64 -14.56 O 22.69 -8.26 O 11.78 -10.36 O 14.23 -14.56 C:105 20.27 -8.26 C:103 21.48 -10.36 C:106 19.06 -8.96 C:102 20.27 -11.06 C:6 13.00 -12.46 O 19.06 -13.16 O 16.64 -10.36 C:104 21.48 -8.96 C:7 13.00 -11.06 C:8 14.23 -10.36 C:5 14.23 -13.16 C:101 19.06 -10.36 C:3 17.85 -12.46 C:2 17.85 -11.06 C:4 16.64 -13.16 C:9 15.43 -11.06 C:10 15.43 -12.46 1 12 1 2 16 1 3 21 2 4 14 1 5 15 1 6 17 1 7 9 2 7 14 1 8 10 1 8 14 2 9 18 1 10 18 2 11 15 1 11 17 2 12 19 1 13 20 1 13 22 1 15 16 2 16 22 1 17 23 1 18 20 1 19 20 2 19 21 1 21 23 1 22 23 2', '23 25 C 19.06 -14.56 C 14.23 -8.96 O 16.64 -14.56 O 22.69 -8.26 O 11.78 -10.36 O 14.23 -14.56 C 20.27 -8.26 C 21.48 -10.36 C 19.06 -8.96 C 20.27 -11.06 C 13.00 -12.46 O 19.06 -13.16 O 16.64 -10.36 C 21.48 -8.96 C 13.00 -11.06 C 14.23 -10.36 C 14.23 -13.16 C 19.06 -10.36 C 17.85 -12.46 C 17.85 -11.06 C 16.64 -13.16 C 15.43 -11.06 C 15.43 -12.46 1 12 1 2 16 1 3 21 2 4 14 1 5 15 1 6 17 1 7 9 2 7 14 1 8 10 1 8 14 2 9 18 1 10 18 2 11 15 1 11 17 2 12 19 1 13 20 1 13 22 1 15 16 2 16 22 1 17 23 1 18 20 1 19 20 2 19 21 1 21 23 1 22 23 2', '23 25 C:60 19.06 -14.56 C:8 14.23 -8.96 O 16.64 -14.56 O 22.69 -8.26 O 11.78 -10.36 O 14.23 -14.56 C:117 20.27 -8.26 C:117 21.48 -10.36 C:131 19.06 -8.96 C:131 20.27 -11.06 C:99 13.00 -12.46 O 19.06 -13.16 O 16.64 -10.36 C:152 21.48 -8.96 C:161 13.00 -11.06 C:102 14.23 -10.36 C:161 14.23 -13.16 C:123 19.06 -10.36 C:140 17.85 -12.46 C:155 17.85 -11.06 C:180 16.64 -13.16 C:157 15.43 -11.06 C:105 15.43 -12.46 1 12 1 2 16 1 3 21 2 4 14 1 5 15 1 6 17 1 7 9 2 7 14 1 8 10 1 8 14 2 9 18 1 10 18 2 11 15 1 11 17 2 12 19 1 13 20 1 13 22 1 15 16 2 16 22 1 17 23 1 18 20 1 19 20 2 19 21 1 21 23 1 22 23 2', 'C17H14O6', 314.178, 'A', 'cpb06_954_5', 4063, '', '', '1', 47, NULL, NULL),
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37 54 1 42 45 1 43 46 1 44 47 1 48 50 1 49 50 2 51 53 1 52 54 1', 'C42H46O12', 742.442, 'C', 'pm06_590_1', 4067, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16267, 'Conicaol B', '', 'Lignans', 'Lignans', 'Dibenzylbutyrolactones', '[CH3:4001]O[c:4]3[cH:5][cH:6][c:1]([CH2:7][C@H:8]1[CH2:9]O[C:109](=O)[C@@H:108]1[C:107](=O)[c:101]2[cH:106][cH:105][c:104](O)[c:103](O[CH3:103001])[cH:102]2)[cH:2][c:3]3O[CH3:3001]', 'COc3ccc(C[C@H]1COC(=O)[C@@H]1C(=O)c2ccc(O)c(OC)c2)cc3OC', '[CH3:56]O[c:148]3[cH:111][cH:121][c:130]([CH2:38][C@H:42]1[CH2:72]O[C:173](=O)[C@@H:54]1[C:191](=O)[c:128]2[cH:125][cH:114][c:151](O)[c:147](O[CH3:56])[cH:111]2)[cH:112][c:149]3O[CH3:56]', '28 30 C:4001 12.37 -10.04 C:103001 21.20 -16.27 C:3001 13.58 -6.55 O 21.75 -11.80 O 18.01 -9.62 O 18.79 -16.27 C:6 17.25 -10.04 C:105 17.61 -14.18 C:106 17.61 -12.83 C:5 16.02 -10.75 C:2 16.02 -7.96 C:102 19.98 -12.83 C:9 21.31 -8.21 C:7 18.56 -7.96 O 13.58 -10.75 O 21.20 -14.86 O 13.58 -7.96 O 22.11 -9.34 C:109 21.31 -10.48 C:107 18.79 -10.75 C:1 17.25 -8.66 C:104 18.79 -14.86 C:101 18.79 -12.13 C:4 14.80 -10.04 C:103 19.98 -14.18 C:3 14.80 -8.66 C:8 19.98 -8.66 C:108 19.98 -10.04 1 15 1 2 16 1 3 17 1 4 19 2 5 20 2 6 22 1 7 10 2 7 21 1 8 9 1 8 22 2 9 23 2 10 24 1 11 21 2 11 26 1 12 23 1 12 25 2 13 18 1 13 27 1 14 21 1 27 14 -1 15 24 1 16 25 1 17 26 1 18 19 1 19 28 1 20 23 1 28 20 -2 22 25 1 24 26 2 27 28 1', '28 30 C 12.37 -10.04 C 21.20 -16.27 C 13.58 -6.55 O 21.75 -11.80 O 18.01 -9.62 O 18.79 -16.27 C 17.25 -10.04 C 17.61 -14.18 C 17.61 -12.83 C 16.02 -10.75 C 16.02 -7.96 C 19.98 -12.83 C 21.31 -8.21 C 18.56 -7.96 O 13.58 -10.75 O 21.20 -14.86 O 13.58 -7.96 O 22.11 -9.34 C 21.31 -10.48 C 18.79 -10.75 C 17.25 -8.66 C 18.79 -14.86 C 18.79 -12.13 C 14.80 -10.04 C 19.98 -14.18 C 14.80 -8.66 C 19.98 -8.66 C 19.98 -10.04 1 15 1 2 16 1 3 17 1 4 19 2 5 20 2 6 22 1 7 10 2 7 21 1 8 9 1 8 22 2 9 23 2 10 24 1 11 21 2 11 26 1 12 23 1 12 25 2 13 18 1 13 27 1 14 21 1 27 14 -1 15 24 1 16 25 1 17 26 1 18 19 1 19 28 1 20 23 1 28 20 -2 22 25 1 24 26 2 27 28 1', '28 30 C:56 12.37 -10.04 C:56 21.20 -16.27 C:56 13.58 -6.55 O 21.75 -11.80 O 18.01 -9.62 O 18.79 -16.27 C:121 17.25 -10.04 C:114 17.61 -14.18 C:125 17.61 -12.83 C:111 16.02 -10.75 C:112 16.02 -7.96 C:111 19.98 -12.83 C:72 21.31 -8.21 C:38 18.56 -7.96 O 13.58 -10.75 O 21.20 -14.86 O 13.58 -7.96 O 22.11 -9.34 C:173 21.31 -10.48 C:191 18.79 -10.75 C:130 17.25 -8.66 C:151 18.79 -14.86 C:128 18.79 -12.13 C:148 14.80 -10.04 C:147 19.98 -14.18 C:149 14.80 -8.66 C:42 19.98 -8.66 C:54 19.98 -10.04 1 15 1 2 16 1 3 17 1 4 19 2 5 20 2 6 22 1 7 10 2 7 21 1 8 9 1 8 22 2 9 23 2 10 24 1 11 21 2 11 26 1 12 23 1 12 25 2 13 18 1 13 27 1 14 21 1 27 14 -1 15 24 1 16 25 1 17 26 1 18 19 1 19 28 1 20 23 1 28 20 -2 22 25 1 24 26 2 27 28 1', 'C21H22O7', 386.22, 'C', 'pm06_590_2', 4067, '', '', '1', 47, NULL, NULL),
(16268, 'Conicaside', '', 'Lignans', 'Lignans', '7-9-Monoepoxylignans', '[H][C@:8]4([CH2:7][c:1]1[cH:6][cH:5][c:4](O)[c:3](O[CH3:3001])[cH:2]1)[CH2:9]O[C@H:107]([c:101]3[cH:102][c:103](O[CH3:103001])[c:104](O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[c:105](O[CH3:105001])[cH:106]3)[C@@:108]4([H])[CH2:109]O', '[H][C@]4(Cc1ccc(O)c(OC)c1)CO[C@H](c3cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c3)[C@@]4([H])CO', '[H][C@:43]4([CH2:33][c:133]1[cH:122][cH:117][c:147](O)[c:149](O[CH3:56])[cH:113]1)[CH2:74]O[C@H:84]([c:141]3[cH:105][c:154](O[CH3:57])[c:135](O[C@@H:105]2O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]2O)[c:154](O[CH3:57])[cH:105]3)[C@@:54]4([H])[CH2:60]O', '41 44 H 17.55 -5.38 H 17.55 -8.85 C:3001 11.37 -4.32 C:103001 23.09 -12.93 C:105001 16.53 -12.79 O 15.61 -13.94 O 16.29 -9.97 O 11.37 -8.53 O 19.71 -18.50 O 16.93 -17.93 O 21.56 -16.42 C:6 15.04 -7.82 C:5 13.82 -8.53 C:2 13.82 -5.72 C:102 20.77 -9.97 C:106 18.37 -10.70 C:206 16.05 -15.27 C:109 16.29 -8.53 C:9 18.91 -5.97 C:7 16.29 -5.72 O 11.37 -5.72 O 22.63 -11.58 O 17.87 -13.09 O 19.71 -7.11 O 20.70 -13.71 O 18.37 -14.50 C:1 15.04 -6.40 C:4 12.58 -7.82 C:101 19.37 -9.63 C:3 12.58 -6.40 C:103 21.21 -11.29 C:105 18.84 -12.06 C:104 20.26 -12.35 C:203 19.26 -17.18 C:204 17.87 -16.90 C:202 20.19 -16.12 C:205 17.45 -15.55 C:201 19.71 -14.78 C:107 18.91 -8.26 C:8 17.55 -6.40 C:108 17.55 -7.82 40 1 -2 41 2 -2 3 21 1 4 22 1 5 23 1 6 17 1 7 18 1 8 28 1 34 9 -1 35 10 -2 36 11 -2 12 13 2 12 27 1 13 28 1 14 27 2 14 30 1 15 29 2 15 31 1 16 29 1 16 32 2 37 17 -1 18 41 1 19 24 1 19 40 1 20 27 1 20 40 1 21 30 1 22 31 1 23 32 1 24 39 1 25 33 1 38 25 -1 26 37 1 26 38 1 28 30 2 39 29 -2 31 33 2 32 33 1 34 35 1 34 36 1 35 37 1 36 38 1 39 41 1 40 41 1', '41 44 H 17.55 -5.38 H 17.55 -8.85 C 11.37 -4.32 C 23.09 -12.93 C 16.53 -12.79 O 15.61 -13.94 O 16.29 -9.97 O 11.37 -8.53 O 19.71 -18.50 O 16.93 -17.93 O 21.56 -16.42 C 15.04 -7.82 C 13.82 -8.53 C 13.82 -5.72 C 20.77 -9.97 C 18.37 -10.70 C 16.05 -15.27 C 16.29 -8.53 C 18.91 -5.97 C 16.29 -5.72 O 11.37 -5.72 O 22.63 -11.58 O 17.87 -13.09 O 19.71 -7.11 O 20.70 -13.71 O 18.37 -14.50 C 15.04 -6.40 C 12.58 -7.82 C 19.37 -9.63 C 12.58 -6.40 C 21.21 -11.29 C 18.84 -12.06 C 20.26 -12.35 C 19.26 -17.18 C 17.87 -16.90 C 20.19 -16.12 C 17.45 -15.55 C 19.71 -14.78 C 18.91 -8.26 C 17.55 -6.40 C 17.55 -7.82 40 1 -2 41 2 -2 3 21 1 4 22 1 5 23 1 6 17 1 7 18 1 8 28 1 34 9 -1 35 10 -2 36 11 -2 12 13 2 12 27 1 13 28 1 14 27 2 14 30 1 15 29 2 15 31 1 16 29 1 16 32 2 37 17 -1 18 41 1 19 24 1 19 40 1 20 27 1 20 40 1 21 30 1 22 31 1 23 32 1 24 39 1 25 33 1 38 25 -1 26 37 1 26 38 1 28 30 2 39 29 -2 31 33 2 32 33 1 34 35 1 34 36 1 35 37 1 36 38 1 39 41 1 40 41 1', '41 44 H 17.55 -5.38 H 17.55 -8.85 C:56 11.37 -4.32 C:57 23.09 -12.93 C:57 16.53 -12.79 O 15.61 -13.94 O 16.29 -9.97 O 11.37 -8.53 O 19.71 -18.50 O 16.93 -17.93 O 21.56 -16.42 C:122 15.04 -7.82 C:117 13.82 -8.53 C:113 13.82 -5.72 C:105 20.77 -9.97 C:105 18.37 -10.70 C:63 16.05 -15.27 C:60 16.29 -8.53 C:74 18.91 -5.97 C:33 16.29 -5.72 O 11.37 -5.72 O 22.63 -11.58 O 17.87 -13.09 O 19.71 -7.11 O 20.70 -13.71 O 18.37 -14.50 C:133 15.04 -6.40 C:147 12.58 -7.82 C:141 19.37 -9.63 C:149 12.58 -6.40 C:154 21.21 -11.29 C:154 18.84 -12.06 C:135 20.26 -12.35 C:79 19.26 -17.18 C:72 17.87 -16.90 C:76 20.19 -16.12 C:78 17.45 -15.55 C:105 19.71 -14.78 C:84 18.91 -8.26 C:43 17.55 -6.40 C:54 17.55 -7.82 40 1 -2 41 2 -2 3 21 1 4 22 1 5 23 1 6 17 1 7 18 1 8 28 1 34 9 -1 35 10 -2 36 11 -2 12 13 2 12 27 1 13 28 1 14 27 2 14 30 1 15 29 2 15 31 1 16 29 1 16 32 2 37 17 -1 18 41 1 19 24 1 19 40 1 20 27 1 20 40 1 21 30 1 22 31 1 23 32 1 24 39 1 25 33 1 38 25 -1 26 37 1 26 38 1 28 30 2 39 29 -2 31 33 2 32 33 1 34 35 1 34 36 1 35 37 1 36 38 1 39 41 1 40 41 1', 'C27H36O12', 552.298, 'P', 'pm06_590_3', 4067, '', '', '1', 47, NULL, NULL),
(16269, 'Kallosin A', '', 'Terpenoids', 'Diterpenoids', 'Pseudopteranes', '[CH2:13]=[C:12]([CH3:14])[C@@H:1]3[CH2:11][CH2:10][C:9]1=[CH:8][C@@H:7](O[C:20]1=O)[C@@H:6]([C:17](=[CH2:18])[CH3:19])[C:5]2=[CH:4][C@:3]([CH3:16])([C:15](=O)O2)[C@H:2]3O', 'C=C(C)[C@@H]3CCC1=C[C@@H](OC1=O)[C@@H](C(=C)C)C2=C[C@](C)(C(=O)O2)[C@H]3O', '[CH2:119]=[C:143]([CH3:17])[C@@H:51]3[CH2:32][CH2:21][C:137]1=[CH:148][C@@H:79](O[C:175]1=O)[C@@H:49]([C:139](=[CH2:116])[CH3:23])[C:149]2=[CH:112][C@:53]([CH3:24])([C:180](=O)O2)[C@H:73]3O', '25 27 C:13 19.72 -13.02 C:18 12.65 -7.44 C:14 20.87 -10.88 C:19 11.42 -9.52 C:16 18.35 -8.04 O 13.70 -14.76 O 17.59 -6.40 O 19.72 -8.85 C:8 14.99 -11.71 C:4 16.16 -9.67 C:10 16.78 -13.02 C:11 17.22 -11.71 O 15.41 -7.54 O 13.17 -12.41 C:12 19.72 -11.63 C:17 12.65 -8.85 C:20 14.09 -13.42 C:15 16.78 -7.54 C:9 15.41 -13.02 C:5 14.99 -8.88 C:7 13.84 -10.96 C:2 18.44 -9.57 C:1 18.44 -10.96 C:6 13.84 -9.57 C:3 17.22 -8.85 1 15 2 2 16 2 3 15 1 4 16 1 25 5 -1 6 17 2 7 18 2 22 8 -1 9 19 2 9 21 1 10 20 2 10 25 1 11 12 1 11 19 1 12 23 1 13 18 1 13 20 1 14 17 1 21 14 -1 23 15 -2 24 16 -1 17 19 1 18 25 1 20 24 1 21 24 1 22 23 1 25 22 -2', '25 27 C 19.72 -13.02 C 12.65 -7.44 C 20.87 -10.88 C 11.42 -9.52 C 18.35 -8.04 O 13.70 -14.76 O 17.59 -6.40 O 19.72 -8.85 C 14.99 -11.71 C 16.16 -9.67 C 16.78 -13.02 C 17.22 -11.71 O 15.41 -7.54 O 13.17 -12.41 C 19.72 -11.63 C 12.65 -8.85 C 14.09 -13.42 C 16.78 -7.54 C 15.41 -13.02 C 14.99 -8.88 C 13.84 -10.96 C 18.44 -9.57 C 18.44 -10.96 C 13.84 -9.57 C 17.22 -8.85 1 15 2 2 16 2 3 15 1 4 16 1 25 5 -1 6 17 2 7 18 2 22 8 -1 9 19 2 9 21 1 10 20 2 10 25 1 11 12 1 11 19 1 12 23 1 13 18 1 13 20 1 14 17 1 21 14 -1 23 15 -2 24 16 -1 17 19 1 18 25 1 20 24 1 21 24 1 22 23 1 25 22 -2', '25 27 C:119 19.72 -13.02 C:116 12.65 -7.44 C:17 20.87 -10.88 C:23 11.42 -9.52 C:24 18.35 -8.04 O 13.70 -14.76 O 17.59 -6.40 O 19.72 -8.85 C:148 14.99 -11.71 C:112 16.16 -9.67 C:21 16.78 -13.02 C:32 17.22 -11.71 O 15.41 -7.54 O 13.17 -12.41 C:143 19.72 -11.63 C:139 12.65 -8.85 C:175 14.09 -13.42 C:180 16.78 -7.54 C:137 15.41 -13.02 C:149 14.99 -8.88 C:79 13.84 -10.96 C:73 18.44 -9.57 C:51 18.44 -10.96 C:49 13.84 -9.57 C:53 17.22 -8.85 1 15 2 2 16 2 3 15 1 4 16 1 25 5 -1 6 17 2 7 18 2 22 8 -1 9 19 2 9 21 1 10 20 2 10 25 1 11 12 1 11 19 1 12 23 1 13 18 1 13 20 1 14 17 1 21 14 -1 23 15 -2 24 16 -1 17 19 1 18 25 1 20 24 1 21 24 1 22 23 1 25 22 -2', 'C20H24O5', 344.211, 'C', 'jo03_4977_1', 4068, '', 'Pseudopterogorgia kallos', '1', 45, NULL, NULL),
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