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
(1503, '', '', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]23[CH2:9][CH2:10][C@:11]1([CH3:20])[CH2:1][C@H:2](O[C:2001]([CH3:2002])=O)[C:3](=[CH2:19])[CH2:4][CH2:5][C@@:6]1([H])[C@:7]2([CH3:18])[CH2:12][CH2:13][C@H:14]3[C:15](=[CH2:16])[CH3:17]', '[H][C@]23CC[C@]1(C)C[C@H](OC(C)=O)C(=C)CC[C@@]1([H])[C@]2(C)CC[C@H]3C(=C)C', '[H][C@:55]23[CH2:22][CH2:46][C@:36]1([CH3:20])[CH2:51][C@H:74](O[C:171]([CH3:22])=O)[C:150](=[CH2:114])[CH2:33][CH2:28][C@@:60]1([H])[C@:46]2([CH3:16])[CH2:42][CH2:27][C@H:46]3[C:149](=[CH2:110])[CH3:25]', '26 28 H 18.82 -11.48 H 15.36 -13.08 C:16 20.81 -11.29 C:19 10.89 -11.28 C:17 21.33 -13.73 C:2002 9.79 -8.01 C:20 15.36 -9.10 C:18 16.57 -11.27 O 10.12 -10.40 C:4 12.90 -12.54 C:13 18.36 -14.28 C:5 14.26 -12.85 C:9 17.88 -10.55 C:12 16.93 -14.12 C:10 16.63 -9.83 C:1 14.26 -9.70 O 12.04 -8.91 C:15 20.37 -12.66 C:2001 10.65 -9.11 C:3 12.29 -11.28 C:2 12.90 -10.01 C:14 18.95 -12.96 C:8 17.88 -12.00 C:6 15.36 -12.00 C:11 15.36 -10.55 C:7 16.63 -12.71 23 1 -1 24 2 -1 3 18 2 4 20 2 5 18 1 6 19 1 25 7 -2 26 8 -2 9 19 2 10 12 1 10 20 1 11 14 1 11 22 1 12 24 1 13 15 1 13 23 1 14 26 1 15 25 1 16 21 1 16 25 1 17 19 1 21 17 -1 22 18 -2 20 21 1 22 23 1 23 26 1 24 25 1 24 26 1', '26 28 H 18.82 -11.48 H 15.36 -13.08 C 20.81 -11.29 C 10.89 -11.28 C 21.33 -13.73 C 9.79 -8.01 C 15.36 -9.10 C 16.57 -11.27 O 10.12 -10.40 C 12.90 -12.54 C 18.36 -14.28 C 14.26 -12.85 C 17.88 -10.55 C 16.93 -14.12 C 16.63 -9.83 C 14.26 -9.70 O 12.04 -8.91 C 20.37 -12.66 C 10.65 -9.11 C 12.29 -11.28 C 12.90 -10.01 C 18.95 -12.96 C 17.88 -12.00 C 15.36 -12.00 C 15.36 -10.55 C 16.63 -12.71 23 1 -1 24 2 -1 3 18 2 4 20 2 5 18 1 6 19 1 25 7 -2 26 8 -2 9 19 2 10 12 1 10 20 1 11 14 1 11 22 1 12 24 1 13 15 1 13 23 1 14 26 1 15 25 1 16 21 1 16 25 1 17 19 1 21 17 -1 22 18 -2 20 21 1 22 23 1 23 26 1 24 25 1 24 26 1', '26 28 H 18.82 -11.48 H 15.36 -13.08 C:110 20.81 -11.29 C:114 10.89 -11.28 C:25 21.33 -13.73 C:22 9.79 -8.01 C:20 15.36 -9.10 C:16 16.57 -11.27 O 10.12 -10.40 C:33 12.90 -12.54 C:27 18.36 -14.28 C:28 14.26 -12.85 C:22 17.88 -10.55 C:42 16.93 -14.12 C:46 16.63 -9.83 C:51 14.26 -9.70 O 12.04 -8.91 C:149 20.37 -12.66 C:171 10.65 -9.11 C:150 12.29 -11.28 C:74 12.90 -10.01 C:46 18.95 -12.96 C:55 17.88 -12.00 C:60 15.36 -12.00 C:36 15.36 -10.55 C:46 16.63 -12.71 23 1 -1 24 2 -1 3 18 2 4 20 2 5 18 1 6 19 1 25 7 -2 26 8 -2 9 19 2 10 12 1 10 20 1 11 14 1 11 22 1 12 24 1 13 15 1 13 23 1 14 26 1 15 25 1 16 21 1 16 25 1 17 19 1 21 17 -1 22 18 -2 20 21 1 22 23 1 23 26 1 24 25 1 24 26 1', 'C22H34O2', 330.25, 'C', 'tt49_4051_16', 2334, '', '', '1', 1, NULL, NULL),
(1504, '', '', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]12[CH2:9][CH2:10][C@:11]([CH3:20])([CH2:1][CH:2]=O)[C@@:6]([H])([CH2:5][CH2:4][C:3]([CH3:19])=O)[C@:7]1([CH3:18])[CH2:12][CH2:13][C@H:14]2[C:15](=[CH2:16])[CH3:17]', '[H][C@]12CC[C@](C)(CC=O)[C@@]([H])(CCC(C)=O)[C@]1(C)CC[C@H]2C(=C)C', '[H][C@:55]12[CH2:21][CH2:45][C@:39]([CH3:22])([CH2:57][CH:204]=O)[C@@:57]([H])([CH2:21][CH2:43][C:208]([CH3:30])=O)[C@:48]1([CH3:18])[CH2:41][CH2:27][C@H:46]2[C:148](=[CH2:111])[CH3:25]', '24 25 H 18.48 -10.96 H 15.07 -12.56 C:16 20.45 -10.77 C:17 20.97 -13.20 C:19 10.12 -11.47 C:20 15.07 -8.60 C:18 16.26 -10.75 O 11.39 -9.35 O 11.36 -13.59 C:2 12.61 -10.04 C:4 12.61 -11.47 C:13 18.03 -13.73 C:1 13.83 -9.32 C:5 13.83 -12.19 C:12 16.61 -13.58 C:9 17.55 -10.04 C:10 16.31 -9.32 C:15 20.00 -12.14 C:3 11.36 -12.19 C:14 18.61 -12.44 C:8 17.55 -11.47 C:6 15.07 -11.47 C:11 15.07 -10.04 C:7 16.31 -12.19 21 1 -1 22 2 -1 3 18 2 4 18 1 5 19 1 23 6 -2 24 7 -2 8 10 2 9 19 2 10 13 1 11 14 1 11 19 1 12 15 1 12 20 1 13 23 1 14 22 1 15 24 1 16 17 1 16 21 1 17 23 1 20 18 -2 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 18.48 -10.96 H 15.07 -12.56 C 20.45 -10.77 C 20.97 -13.20 C 10.12 -11.47 C 15.07 -8.60 C 16.26 -10.75 O 11.39 -9.35 O 11.36 -13.59 C 12.61 -10.04 C 12.61 -11.47 C 18.03 -13.73 C 13.83 -9.32 C 13.83 -12.19 C 16.61 -13.58 C 17.55 -10.04 C 16.31 -9.32 C 20.00 -12.14 C 11.36 -12.19 C 18.61 -12.44 C 17.55 -11.47 C 15.07 -11.47 C 15.07 -10.04 C 16.31 -12.19 21 1 -1 22 2 -1 3 18 2 4 18 1 5 19 1 23 6 -2 24 7 -2 8 10 2 9 19 2 10 13 1 11 14 1 11 19 1 12 15 1 12 20 1 13 23 1 14 22 1 15 24 1 16 17 1 16 21 1 17 23 1 20 18 -2 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 18.48 -10.96 H 15.07 -12.56 C:111 20.45 -10.77 C:25 20.97 -13.20 C:30 10.12 -11.47 C:22 15.07 -8.60 C:18 16.26 -10.75 O 11.39 -9.35 O 11.36 -13.59 C:204 12.61 -10.04 C:43 12.61 -11.47 C:27 18.03 -13.73 C:57 13.83 -9.32 C:21 13.83 -12.19 C:41 16.61 -13.58 C:21 17.55 -10.04 C:45 16.31 -9.32 C:148 20.00 -12.14 C:208 11.36 -12.19 C:46 18.61 -12.44 C:55 17.55 -11.47 C:57 15.07 -11.47 C:39 15.07 -10.04 C:48 16.31 -12.19 21 1 -1 22 2 -1 3 18 2 4 18 1 5 19 1 23 6 -2 24 7 -2 8 10 2 9 19 2 10 13 1 11 14 1 11 19 1 12 15 1 12 20 1 13 23 1 14 22 1 15 24 1 16 17 1 16 21 1 17 23 1 20 18 -2 20 21 1 21 24 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'C', 'tt49_4051_17', 2334, '', '', '1', 1, NULL, NULL),
(1505, '', '', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]23[CH2:9][CH2:10][C@:11]1([CH3:20])[CH2:1][CH2:2][CH:4]([C:3]([CH3:19])=O)[CH2:5][C@@:6]1([H])[C@:7]2([CH3:18])[CH2:12][CH2:13][C@H:14]3[CH:15]([CH3:16])[CH3:17]', '[H][C@]23CC[C@]1(C)CCC(C(C)=O)C[C@@]1([H])[C@]2(C)CC[C@H]3C(C)C', '[H][C@:56]23[CH2:24][CH2:44][C@:34]1([CH3:21])[CH2:45][CH2:26][CH:56]([C:212]([CH3:28])=O)[CH2:42][C@@:53]1([H])[C@:45]2([CH3:16])[CH2:42][CH2:28][C@H:48]3[CH:32]([CH3:23])[CH3:24]', '23 25 H 18.50 -10.92 H 15.09 -12.51 C:19 10.13 -11.43 C:17 20.99 -13.15 C:16 20.47 -10.73 C:20 15.09 -8.56 C:18 16.28 -10.71 O 11.39 -13.54 C:2 12.62 -10.00 C:13 18.05 -13.69 C:1 13.85 -9.28 C:12 16.63 -13.54 C:10 16.33 -9.28 C:9 17.57 -10.00 C:5 13.85 -12.14 C:3 11.38 -12.14 C:15 20.03 -12.09 C:4 12.62 -11.43 C:14 18.63 -12.39 C:11 15.09 -10.00 C:8 17.57 -11.43 C:6 15.09 -11.43 C:7 16.33 -12.14 21 1 -1 22 2 -1 3 16 1 4 17 1 5 17 1 20 6 -2 23 7 -2 8 16 2 9 11 1 9 18 1 10 12 1 10 19 1 11 20 1 12 23 1 13 14 1 13 20 1 14 21 1 15 18 1 15 22 1 16 18 1 19 17 -2 19 21 1 20 22 1 21 23 1 22 23 1', '23 25 H 18.50 -10.92 H 15.09 -12.51 C 10.13 -11.43 C 20.99 -13.15 C 20.47 -10.73 C 15.09 -8.56 C 16.28 -10.71 O 11.39 -13.54 C 12.62 -10.00 C 18.05 -13.69 C 13.85 -9.28 C 16.63 -13.54 C 16.33 -9.28 C 17.57 -10.00 C 13.85 -12.14 C 11.38 -12.14 C 20.03 -12.09 C 12.62 -11.43 C 18.63 -12.39 C 15.09 -10.00 C 17.57 -11.43 C 15.09 -11.43 C 16.33 -12.14 21 1 -1 22 2 -1 3 16 1 4 17 1 5 17 1 20 6 -2 23 7 -2 8 16 2 9 11 1 9 18 1 10 12 1 10 19 1 11 20 1 12 23 1 13 14 1 13 20 1 14 21 1 15 18 1 15 22 1 16 18 1 19 17 -2 19 21 1 20 22 1 21 23 1 22 23 1', '23 25 H 18.50 -10.92 H 15.09 -12.51 C:28 10.13 -11.43 C:24 20.99 -13.15 C:23 20.47 -10.73 C:21 15.09 -8.56 C:16 16.28 -10.71 O 11.39 -13.54 C:26 12.62 -10.00 C:28 18.05 -13.69 C:45 13.85 -9.28 C:42 16.63 -13.54 C:44 16.33 -9.28 C:24 17.57 -10.00 C:42 13.85 -12.14 C:212 11.38 -12.14 C:32 20.03 -12.09 C:56 12.62 -11.43 C:48 18.63 -12.39 C:34 15.09 -10.00 C:56 17.57 -11.43 C:53 15.09 -11.43 C:45 16.33 -12.14 21 1 -1 22 2 -1 3 16 1 4 17 1 5 17 1 20 6 -2 23 7 -2 8 16 2 9 11 1 9 18 1 10 12 1 10 19 1 11 20 1 12 23 1 13 14 1 13 20 1 14 21 1 15 18 1 15 22 1 16 18 1 19 17 -2 19 21 1 20 22 1 21 23 1 22 23 1', 'C20H34O', 290.229, 'C', 'tt49_4051_19', 2334, '', '', '1', 1, NULL, NULL),
(1506, '', '3,19-Dinor-valparolan-4-one', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:7]23[CH2:8][CH2:9][C@:10]1([CH3:18])[CH2:1][CH2:2][CH:3](O)[CH2:4][C@@:5]1([H])[C@:6]2([CH3:17])[CH2:11][CH2:12][C@H:13]3[CH:14]([CH3:15])[CH3:16]', '[H][C@]23CC[C@]1(C)CCC(O)C[C@@]1([H])[C@]2(C)CC[C@H]3C(C)C', '[H][C@:55]23[CH2:23][CH2:44][C@:34]1([CH3:21])[CH2:34][CH2:32][CH:72](O)[CH2:43][C@@:55]1([H])[C@:44]2([CH3:16])[CH2:41][CH2:28][C@H:48]3[CH:32]([CH3:23])[CH3:24]', '21 23 H 17.87 -10.94 H 14.45 -12.53 C:16 20.36 -13.18 C:15 19.84 -10.75 C:18 14.45 -8.58 C:17 15.64 -10.73 O 10.77 -12.16 C:2 11.98 -10.02 C:12 17.42 -13.72 C:1 13.21 -9.30 C:9 15.69 -9.30 C:11 15.99 -13.57 C:8 16.94 -10.02 C:4 13.21 -12.16 C:14 19.40 -12.11 C:3 11.98 -11.45 C:13 18.00 -12.41 C:10 14.45 -10.02 C:7 16.94 -11.45 C:5 14.45 -11.45 C:6 15.69 -12.16 19 1 -1 20 2 -1 3 15 1 4 15 1 18 5 -2 21 6 -2 7 16 1 8 10 1 8 16 1 9 12 1 9 17 1 10 18 1 11 13 1 11 18 1 12 21 1 13 19 1 14 16 1 14 20 1 17 15 -2 17 19 1 18 20 1 19 21 1 20 21 1', '21 23 H 17.87 -10.94 H 14.45 -12.53 C 20.36 -13.18 C 19.84 -10.75 C 14.45 -8.58 C 15.64 -10.73 O 10.77 -12.16 C 11.98 -10.02 C 17.42 -13.72 C 13.21 -9.30 C 15.69 -9.30 C 15.99 -13.57 C 16.94 -10.02 C 13.21 -12.16 C 19.40 -12.11 C 11.98 -11.45 C 18.00 -12.41 C 14.45 -10.02 C 16.94 -11.45 C 14.45 -11.45 C 15.69 -12.16 19 1 -1 20 2 -1 3 15 1 4 15 1 18 5 -2 21 6 -2 7 16 1 8 10 1 8 16 1 9 12 1 9 17 1 10 18 1 11 13 1 11 18 1 12 21 1 13 19 1 14 16 1 14 20 1 17 15 -2 17 19 1 18 20 1 19 21 1 20 21 1', '21 23 H 17.87 -10.94 H 14.45 -12.53 C:24 20.36 -13.18 C:23 19.84 -10.75 C:21 14.45 -8.58 C:16 15.64 -10.73 O 10.77 -12.16 C:32 11.98 -10.02 C:28 17.42 -13.72 C:34 13.21 -9.30 C:44 15.69 -9.30 C:41 15.99 -13.57 C:23 16.94 -10.02 C:43 13.21 -12.16 C:32 19.40 -12.11 C:72 11.98 -11.45 C:48 18.00 -12.41 C:34 14.45 -10.02 C:55 16.94 -11.45 C:55 14.45 -11.45 C:44 15.69 -12.16 19 1 -1 20 2 -1 3 15 1 4 15 1 18 5 -2 21 6 -2 7 16 1 8 10 1 8 16 1 9 12 1 9 17 1 10 18 1 11 13 1 11 18 1 12 21 1 13 19 1 14 16 1 14 20 1 17 15 -2 17 19 1 18 20 1 19 21 1 20 21 1', 'C18H32O', 264.208, 'C', 'tt49_4051_21', 2334, '', '', '1', 1, NULL, NULL),
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(1517, '', '13-Hydroxy-5-oxo-epi-neoverrucosane ', 'Terpenoids', 'Diterpenoids', 'Neoverrucosanes', '[H][C@@:2]14[CH2:3][C@:4]1([CH3:18])[C:5](=O)[CH2:6][C@:7]3([CH3:19])[CH2:8][CH2:9][C@@:10]2([CH3:20])[CH2:11][CH2:12][C@:13](O)([CH:15]([CH3:16])[CH3:17])[C@:14]2([H])[C@:1]34[H]', '[H][C@@]14C[C@]1(C)C(=O)C[C@]3(C)CC[C@@]2(C)CC[C@](O)(C(C)C)[C@]2([H])[C@]34[H]', '[H][C@@:29]14[CH2:29][C@:29]1([CH3:21])[C:211](=O)[CH2:54][C@:42]3([CH3:18])[CH2:35][CH2:37][C@@:43]2([CH3:19])[CH2:38][CH2:35][C@:86](O)([CH:35]([CH3:19])[CH3:20])[C@:60]2([H])[C@:46]34[H]', '25 28 H 14.32 -10.16 H 15.61 -10.91 H 16.87 -12.29 C:17 16.64 -7.40 C:16 14.77 -9.09 C:20 19.37 -12.72 C:19 15.61 -14.89 C:18 11.75 -11.58 O 11.88 -14.12 O 18.00 -8.73 C:9 18.13 -13.43 C:8 16.86 -14.16 C:11 19.19 -11.03 C:12 18.60 -9.72 C:6 14.35 -14.16 C:3 13.12 -10.57 C:5 13.10 -13.43 C:15 16.22 -8.78 C:10 18.13 -11.99 C:7 15.61 -13.43 C:2 14.35 -11.27 C:4 13.10 -11.99 C:1 15.61 -11.99 C:14 16.86 -11.27 C:13 17.18 -9.86 21 1 -2 23 2 -1 24 3 -2 4 18 1 5 18 1 19 6 -1 20 7 -2 22 8 -2 9 17 2 25 10 -2 11 12 1 11 19 1 12 20 1 13 14 1 13 19 1 14 25 1 15 17 1 15 20 1 16 21 1 16 22 1 17 22 1 25 18 -1 19 24 1 20 23 1 21 22 1 21 23 1 23 24 1 24 25 1', '25 28 H 14.32 -10.16 H 15.61 -10.91 H 16.87 -12.29 C 16.64 -7.40 C 14.77 -9.09 C 19.37 -12.72 C 15.61 -14.89 C 11.75 -11.58 O 11.88 -14.12 O 18.00 -8.73 C 18.13 -13.43 C 16.86 -14.16 C 19.19 -11.03 C 18.60 -9.72 C 14.35 -14.16 C 13.12 -10.57 C 13.10 -13.43 C 16.22 -8.78 C 18.13 -11.99 C 15.61 -13.43 C 14.35 -11.27 C 13.10 -11.99 C 15.61 -11.99 C 16.86 -11.27 C 17.18 -9.86 21 1 -2 23 2 -1 24 3 -2 4 18 1 5 18 1 19 6 -1 20 7 -2 22 8 -2 9 17 2 25 10 -2 11 12 1 11 19 1 12 20 1 13 14 1 13 19 1 14 25 1 15 17 1 15 20 1 16 21 1 16 22 1 17 22 1 25 18 -1 19 24 1 20 23 1 21 22 1 21 23 1 23 24 1 24 25 1', '25 28 H 14.32 -10.16 H 15.61 -10.91 H 16.87 -12.29 C:20 16.64 -7.40 C:19 14.77 -9.09 C:19 19.37 -12.72 C:18 15.61 -14.89 C:21 11.75 -11.58 O 11.88 -14.12 O 18.00 -8.73 C:37 18.13 -13.43 C:35 16.86 -14.16 C:38 19.19 -11.03 C:35 18.60 -9.72 C:54 14.35 -14.16 C:29 13.12 -10.57 C:211 13.10 -13.43 C:35 16.22 -8.78 C:43 18.13 -11.99 C:42 15.61 -13.43 C:29 14.35 -11.27 C:29 13.10 -11.99 C:46 15.61 -11.99 C:60 16.86 -11.27 C:86 17.18 -9.86 21 1 -2 23 2 -1 24 3 -2 4 18 1 5 18 1 19 6 -1 20 7 -2 22 8 -2 9 17 2 25 10 -2 11 12 1 11 19 1 12 20 1 13 14 1 13 19 1 14 25 1 15 17 1 15 20 1 16 21 1 16 22 1 17 22 1 25 18 -1 19 24 1 20 23 1 21 22 1 21 23 1 23 24 1 24 25 1', 'C20H32O2', 304.237, 'C', 'ph_44_1495_2', 767, '', '', '1', 1, NULL, NULL),
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(1519, '', '8a,13-Dihydroxy-5-oxo-epi-neoverrucosane ', 'Terpenoids', 'Diterpenoids', 'Neoverrucosanes', '[H][C@@:2]13[CH2:3][C@:4]1([CH3:18])[C:5](=O)[CH2:6][C@:7]4([CH3:19])[C@@H:8](O)[CH2:9][C@@:10]2([CH3:20])[CH2:11][CH2:12][C@:13](O)([CH:15]([CH3:17])[CH3:16])[C@:14]2([H])[C@@:1]34[H]', '[H][C@@]13C[C@]1(C)C(=O)C[C@]4(C)[C@@H](O)C[C@@]2(C)CC[C@](O)(C(C)C)[C@]2([H])[C@@]34[H]', '[H][C@@:28]13[CH2:29][C@:29]1([CH3:21])[C:211](=O)[CH2:50][C@:47]4([CH3:12])[C@@H:73](O)[CH2:46][C@@:43]2([CH3:21])[CH2:38][CH2:35][C@:85](O)([CH:35]([CH3:20])[CH3:19])[C@:60]2([H])[C@@:45]34[H]', '26 29 H 14.31 -9.81 H 15.59 -10.57 H 16.84 -11.95 C:16 14.76 -8.74 C:17 16.61 -7.05 C:20 19.34 -12.38 C:18 11.74 -11.24 C:19 15.59 -14.55 O 11.87 -13.78 O 16.81 -15.22 O 17.97 -8.38 C:11 19.16 -10.69 C:12 18.57 -9.37 C:6 14.34 -13.82 C:9 18.10 -13.09 C:3 13.11 -10.22 C:5 13.09 -13.09 C:15 16.20 -8.43 C:8 16.83 -13.82 C:10 18.10 -11.65 C:2 14.34 -10.93 C:4 13.09 -11.65 C:7 15.59 -13.09 C:1 15.59 -11.65 C:14 16.83 -10.93 C:13 17.15 -9.51 21 1 -2 24 2 -1 25 3 -2 4 18 1 5 18 1 20 6 -1 22 7 -2 23 8 -2 9 17 2 19 10 -2 26 11 -2 12 13 1 12 20 1 13 26 1 14 17 1 14 23 1 15 19 1 15 20 1 16 21 1 16 22 1 17 22 1 26 18 -1 19 23 1 20 25 1 21 22 1 21 24 1 23 24 1 24 25 1 25 26 1', '26 29 H 14.31 -9.81 H 15.59 -10.57 H 16.84 -11.95 C 14.76 -8.74 C 16.61 -7.05 C 19.34 -12.38 C 11.74 -11.24 C 15.59 -14.55 O 11.87 -13.78 O 16.81 -15.22 O 17.97 -8.38 C 19.16 -10.69 C 18.57 -9.37 C 14.34 -13.82 C 18.10 -13.09 C 13.11 -10.22 C 13.09 -13.09 C 16.20 -8.43 C 16.83 -13.82 C 18.10 -11.65 C 14.34 -10.93 C 13.09 -11.65 C 15.59 -13.09 C 15.59 -11.65 C 16.83 -10.93 C 17.15 -9.51 21 1 -2 24 2 -1 25 3 -2 4 18 1 5 18 1 20 6 -1 22 7 -2 23 8 -2 9 17 2 19 10 -2 26 11 -2 12 13 1 12 20 1 13 26 1 14 17 1 14 23 1 15 19 1 15 20 1 16 21 1 16 22 1 17 22 1 26 18 -1 19 23 1 20 25 1 21 22 1 21 24 1 23 24 1 24 25 1 25 26 1', '26 29 H 14.31 -9.81 H 15.59 -10.57 H 16.84 -11.95 C:19 14.76 -8.74 C:20 16.61 -7.05 C:21 19.34 -12.38 C:21 11.74 -11.24 C:12 15.59 -14.55 O 11.87 -13.78 O 16.81 -15.22 O 17.97 -8.38 C:38 19.16 -10.69 C:35 18.57 -9.37 C:50 14.34 -13.82 C:46 18.10 -13.09 C:29 13.11 -10.22 C:211 13.09 -13.09 C:35 16.20 -8.43 C:73 16.83 -13.82 C:43 18.10 -11.65 C:28 14.34 -10.93 C:29 13.09 -11.65 C:47 15.59 -13.09 C:45 15.59 -11.65 C:60 16.83 -10.93 C:85 17.15 -9.51 21 1 -2 24 2 -1 25 3 -2 4 18 1 5 18 1 20 6 -1 22 7 -2 23 8 -2 9 17 2 19 10 -2 26 11 -2 12 13 1 12 20 1 13 26 1 14 17 1 14 23 1 15 19 1 15 20 1 16 21 1 16 22 1 17 22 1 26 18 -1 19 23 1 20 25 1 21 22 1 21 24 1 23 24 1 24 25 1 25 26 1', 'C20H32O3', 320.236, 'C', 'ph_44_1495_4', 767, '', '', '1', 1, NULL, NULL),
(1520, '', '8a,16-Diacetoxy-13-hydroxy-5-oxo-epi-neoverrucosane ', 'Terpenoids', 'Diterpenoids', 'Neoverrucosanes', '[H][C@@:2]13[CH2:3][C@:4]1([CH3:18])[C:5](=O)[CH2:6][C@:7]4([CH3:19])[C@@H:8](O[C:8001]([CH3:8002])=O)[CH2:9][C@@:10]2([CH3:20])[CH2:11][CH2:12][C@:13](O)([CH:15]([CH3:16])[CH2:17]O[C:17001]([CH3:17002])=O)[C@:14]2([H])[C@@:1]34[H]', '[H][C@@]13C[C@]1(C)C(=O)C[C@]4(C)[C@@H](OC(C)=O)C[C@@]2(C)CC[C@](O)(C(C)COC(C)=O)[C@]2([H])[C@@]34[H]', '[H][C@@:29]13[CH2:30][C@:28]1([CH3:20])[C:210](=O)[CH2:49][C@:45]4([CH3:13])[C@@H:75](O[C:170]([CH3:21])=O)[CH2:43][C@@:42]2([CH3:20])[CH2:38][CH2:38][C@:84](O)([CH:41]([CH3:14])[CH2:67]O[C:171]([CH3:21])=O)[C@:60]2([H])[C@@:46]34[H]', '33 36 H 14.15 -10.11 H 15.44 -10.86 H 16.70 -12.24 C:17002 19.58 -5.34 C:8002 19.10 -15.54 C:16 14.60 -9.04 C:20 19.20 -12.67 C:18 11.58 -11.53 C:19 15.44 -14.84 O 17.25 -4.66 O 17.87 -17.63 O 11.71 -14.07 O 17.83 -8.68 C:17 16.47 -7.35 C:11 19.02 -10.98 C:12 18.43 -9.67 C:6 14.18 -14.11 C:9 17.96 -13.38 C:3 12.95 -10.52 O 17.83 -7.01 O 16.67 -15.51 C:17001 18.22 -5.67 C:8001 17.88 -16.23 C:5 12.93 -13.38 C:15 16.05 -8.73 C:8 16.69 -14.11 C:10 17.96 -11.94 C:2 14.18 -11.22 C:4 12.93 -11.94 C:7 15.44 -13.38 C:1 15.44 -11.94 C:14 16.69 -11.22 C:13 17.01 -9.81 28 1 -2 31 2 -1 32 3 -2 4 22 1 5 23 1 6 25 1 27 7 -1 29 8 -2 30 9 -2 10 22 2 11 23 2 12 24 2 33 13 -2 14 20 1 14 25 1 15 16 1 15 27 1 16 33 1 17 24 1 17 30 1 18 26 1 18 27 1 19 28 1 19 29 1 20 22 1 21 23 1 26 21 -2 24 29 1 33 25 -1 26 30 1 27 32 1 28 29 1 28 31 1 30 31 1 31 32 1 32 33 1', '33 36 H 14.15 -10.11 H 15.44 -10.86 H 16.70 -12.24 C 19.58 -5.34 C 19.10 -15.54 C 14.60 -9.04 C 19.20 -12.67 C 11.58 -11.53 C 15.44 -14.84 O 17.25 -4.66 O 17.87 -17.63 O 11.71 -14.07 O 17.83 -8.68 C 16.47 -7.35 C 19.02 -10.98 C 18.43 -9.67 C 14.18 -14.11 C 17.96 -13.38 C 12.95 -10.52 O 17.83 -7.01 O 16.67 -15.51 C 18.22 -5.67 C 17.88 -16.23 C 12.93 -13.38 C 16.05 -8.73 C 16.69 -14.11 C 17.96 -11.94 C 14.18 -11.22 C 12.93 -11.94 C 15.44 -13.38 C 15.44 -11.94 C 16.69 -11.22 C 17.01 -9.81 28 1 -2 31 2 -1 32 3 -2 4 22 1 5 23 1 6 25 1 27 7 -1 29 8 -2 30 9 -2 10 22 2 11 23 2 12 24 2 33 13 -2 14 20 1 14 25 1 15 16 1 15 27 1 16 33 1 17 24 1 17 30 1 18 26 1 18 27 1 19 28 1 19 29 1 20 22 1 21 23 1 26 21 -2 24 29 1 33 25 -1 26 30 1 27 32 1 28 29 1 28 31 1 30 31 1 31 32 1 32 33 1', '33 36 H 14.15 -10.11 H 15.44 -10.86 H 16.70 -12.24 C:21 19.58 -5.34 C:21 19.10 -15.54 C:14 14.60 -9.04 C:20 19.20 -12.67 C:20 11.58 -11.53 C:13 15.44 -14.84 O 17.25 -4.66 O 17.87 -17.63 O 11.71 -14.07 O 17.83 -8.68 C:67 16.47 -7.35 C:38 19.02 -10.98 C:38 18.43 -9.67 C:49 14.18 -14.11 C:43 17.96 -13.38 C:30 12.95 -10.52 O 17.83 -7.01 O 16.67 -15.51 C:171 18.22 -5.67 C:170 17.88 -16.23 C:210 12.93 -13.38 C:41 16.05 -8.73 C:75 16.69 -14.11 C:42 17.96 -11.94 C:29 14.18 -11.22 C:28 12.93 -11.94 C:45 15.44 -13.38 C:46 15.44 -11.94 C:60 16.69 -11.22 C:84 17.01 -9.81 28 1 -2 31 2 -1 32 3 -2 4 22 1 5 23 1 6 25 1 27 7 -1 29 8 -2 30 9 -2 10 22 2 11 23 2 12 24 2 33 13 -2 14 20 1 14 25 1 15 16 1 15 27 1 16 33 1 17 24 1 17 30 1 18 26 1 18 27 1 19 28 1 19 29 1 20 22 1 21 23 1 26 21 -2 24 29 1 33 25 -1 26 30 1 27 32 1 28 29 1 28 31 1 30 31 1 31 32 1 32 33 1', 'C24H36O6', 420.277, 'C', 'ph_44_1495_5', 767, '', '', '1', 1, NULL, NULL),
(1521, '', '5b-Hydroxy-epi-neoverrucosane ', 'Terpenoids', 'Diterpenoids', 'Neoverrucosanes', '[H][C@@:2]14[CH2:3][C@:4]1([CH3:18])[C@H:5](O)[CH2:6][C@:7]3([CH3:19])[CH2:8][CH2:9][C@@:10]2([CH3:20])[CH2:11][CH2:12][C@H:13]([CH:15]([CH3:16])[CH3:17])[C@:14]2([H])[C@:1]34[H]', '[H][C@@]14C[C@]1(C)[C@H](O)C[C@]3(C)CC[C@@]2(C)CC[C@H](C(C)C)[C@]2([H])[C@]34[H]', '[H][C@@:28]14[CH2:20][C@:23]1([CH3:25])[C@H:71](O)[CH2:47][C@:38]3([CH3:17])[CH2:35][CH2:37][C@@:42]2([CH3:20])[CH2:41][CH2:26][C@H:30]([CH:45]([CH3:21])[CH3:24])[C@:51]2([H])[C@:46]34[H]', '24 27 H 14.33 -10.17 H 16.88 -12.30 H 15.62 -10.92 C:17 16.65 -7.41 C:16 14.78 -9.10 C:20 19.37 -12.73 C:19 15.62 -14.90 C:18 11.75 -11.59 O 11.88 -14.13 C:12 18.61 -9.73 C:11 19.20 -11.04 C:9 18.14 -13.44 C:8 16.87 -14.17 C:6 14.36 -14.17 C:3 13.13 -10.58 C:15 16.23 -8.79 C:5 13.11 -13.44 C:13 17.19 -9.87 C:10 18.14 -12.00 C:7 15.62 -13.44 C:2 14.36 -11.28 C:4 13.11 -12.00 C:14 16.87 -11.28 C:1 15.62 -12.00 21 1 -2 23 2 -2 24 3 -1 4 16 1 5 16 1 19 6 -1 20 7 -2 22 8 -2 17 9 -1 10 11 1 10 18 1 11 19 1 12 13 1 12 19 1 13 20 1 14 17 1 14 20 1 15 21 1 15 22 1 18 16 -1 17 22 1 18 23 1 19 23 1 20 24 1 21 22 1 21 24 1 23 24 1', '24 27 H 14.33 -10.17 H 16.88 -12.30 H 15.62 -10.92 C 16.65 -7.41 C 14.78 -9.10 C 19.37 -12.73 C 15.62 -14.90 C 11.75 -11.59 O 11.88 -14.13 C 18.61 -9.73 C 19.20 -11.04 C 18.14 -13.44 C 16.87 -14.17 C 14.36 -14.17 C 13.13 -10.58 C 16.23 -8.79 C 13.11 -13.44 C 17.19 -9.87 C 18.14 -12.00 C 15.62 -13.44 C 14.36 -11.28 C 13.11 -12.00 C 16.87 -11.28 C 15.62 -12.00 21 1 -2 23 2 -2 24 3 -1 4 16 1 5 16 1 19 6 -1 20 7 -2 22 8 -2 17 9 -1 10 11 1 10 18 1 11 19 1 12 13 1 12 19 1 13 20 1 14 17 1 14 20 1 15 21 1 15 22 1 18 16 -1 17 22 1 18 23 1 19 23 1 20 24 1 21 22 1 21 24 1 23 24 1', '24 27 H 14.33 -10.17 H 16.88 -12.30 H 15.62 -10.92 C:24 16.65 -7.41 C:21 14.78 -9.10 C:20 19.37 -12.73 C:17 15.62 -14.90 C:25 11.75 -11.59 O 11.88 -14.13 C:26 18.61 -9.73 C:41 19.20 -11.04 C:37 18.14 -13.44 C:35 16.87 -14.17 C:47 14.36 -14.17 C:20 13.13 -10.58 C:45 16.23 -8.79 C:71 13.11 -13.44 C:30 17.19 -9.87 C:42 18.14 -12.00 C:38 15.62 -13.44 C:28 14.36 -11.28 C:23 13.11 -12.00 C:51 16.87 -11.28 C:46 15.62 -12.00 21 1 -2 23 2 -2 24 3 -1 4 16 1 5 16 1 19 6 -1 20 7 -2 22 8 -2 17 9 -1 10 11 1 10 18 1 11 19 1 12 13 1 12 19 1 13 20 1 14 17 1 14 20 1 15 21 1 15 22 1 18 16 -1 17 22 1 18 23 1 19 23 1 20 24 1 21 22 1 21 24 1 23 24 1', 'C20H34O', 290.237, 'C', 'ph_44_1495_6', 767, '', '', '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
(1523, '', '8a-Acetoxy-5-oxo-epi-neoverrucosane-13-en', 'Terpenoids', 'Diterpenoids', 'Neoverrucosanes', '[H][C@@:2]13[CH2:3][C@:4]1([CH3:18])[C:5](=O)[CH2:6][C@:7]4([CH3:19])[C@@H:8](O[C:8001]([CH3:8002])=O)[CH2:9][C@@:10]2([CH3:20])[CH2:11][CH2:12][C:13]([CH:15]([CH3:17])[CH3:16])=[C:14]2[C@@:1]34[H]', '[H][C@@]13C[C@]1(C)C(=O)C[C@]4(C)[C@@H](OC(C)=O)C[C@@]2(C)CCC(C(C)C)=C2[C@@]34[H]', '[H][C@@:28]13[CH2:28][C@:29]1([CH3:20])[C:209](=O)[CH2:49][C@:47]4([CH3:13])[C@@H:76](O[C:170]([CH3:21])=O)[CH2:47][C@@:41]2([CH3:25])[CH2:38][CH2:30][C:141]([CH:27]([CH3:22])[CH3:22])=[C:135]2[C@@:45]34[H]', '27 30 H 14.36 -8.80 H 15.63 -9.54 C:8002 19.26 -14.18 C:16 14.80 -7.73 C:17 16.66 -6.06 C:20 19.36 -11.33 C:18 11.81 -10.20 C:19 15.63 -13.48 O 18.04 -16.25 O 11.94 -12.72 C:12 18.60 -8.36 C:11 19.18 -9.66 C:6 14.39 -12.76 C:9 18.13 -12.04 C:3 13.17 -9.20 O 16.85 -14.15 C:8001 18.05 -14.86 C:5 13.15 -12.04 C:13 17.19 -8.50 C:14 16.87 -9.89 C:15 16.24 -7.43 C:8 16.87 -12.76 C:10 18.13 -10.61 C:2 14.39 -9.89 C:4 13.15 -10.61 C:7 15.63 -12.04 C:1 15.63 -10.61 24 1 -2 27 2 -1 3 17 1 4 21 1 5 21 1 23 6 -1 25 7 -2 26 8 -2 9 17 2 10 18 2 11 12 1 11 19 1 12 23 1 13 18 1 13 26 1 14 22 1 14 23 1 15 24 1 15 25 1 16 17 1 22 16 -2 18 25 1 19 20 2 19 21 1 20 23 1 20 27 1 22 26 1 24 25 1 24 27 1 26 27 1', '27 30 H 14.36 -8.80 H 15.63 -9.54 C 19.26 -14.18 C 14.80 -7.73 C 16.66 -6.06 C 19.36 -11.33 C 11.81 -10.20 C 15.63 -13.48 O 18.04 -16.25 O 11.94 -12.72 C 18.60 -8.36 C 19.18 -9.66 C 14.39 -12.76 C 18.13 -12.04 C 13.17 -9.20 O 16.85 -14.15 C 18.05 -14.86 C 13.15 -12.04 C 17.19 -8.50 C 16.87 -9.89 C 16.24 -7.43 C 16.87 -12.76 C 18.13 -10.61 C 14.39 -9.89 C 13.15 -10.61 C 15.63 -12.04 C 15.63 -10.61 24 1 -2 27 2 -1 3 17 1 4 21 1 5 21 1 23 6 -1 25 7 -2 26 8 -2 9 17 2 10 18 2 11 12 1 11 19 1 12 23 1 13 18 1 13 26 1 14 22 1 14 23 1 15 24 1 15 25 1 16 17 1 22 16 -2 18 25 1 19 20 2 19 21 1 20 23 1 20 27 1 22 26 1 24 25 1 24 27 1 26 27 1', '27 30 H 14.36 -8.80 H 15.63 -9.54 C:21 19.26 -14.18 C:22 14.80 -7.73 C:22 16.66 -6.06 C:25 19.36 -11.33 C:20 11.81 -10.20 C:13 15.63 -13.48 O 18.04 -16.25 O 11.94 -12.72 C:30 18.60 -8.36 C:38 19.18 -9.66 C:49 14.39 -12.76 C:47 18.13 -12.04 C:28 13.17 -9.20 O 16.85 -14.15 C:170 18.05 -14.86 C:209 13.15 -12.04 C:141 17.19 -8.50 C:135 16.87 -9.89 C:27 16.24 -7.43 C:76 16.87 -12.76 C:41 18.13 -10.61 C:28 14.39 -9.89 C:29 13.15 -10.61 C:47 15.63 -12.04 C:45 15.63 -10.61 24 1 -2 27 2 -1 3 17 1 4 21 1 5 21 1 23 6 -1 25 7 -2 26 8 -2 9 17 2 10 18 2 11 12 1 11 19 1 12 23 1 13 18 1 13 26 1 14 22 1 14 23 1 15 24 1 15 25 1 16 17 1 22 16 -2 18 25 1 19 20 2 19 21 1 20 23 1 20 27 1 22 26 1 24 25 1 24 27 1 26 27 1', 'C22H32O3', 344.249, 'C', 'ph_44_1495_9', 767, '', '', '2', 1, NULL, NULL),
(1524, '', '8a-Hydroxy-5-oxo-epi-neoverrucosane- 13-en', 'Terpenoids', 'Diterpenoids', 'Neoverrucosanes', '[H][C@@:2]13[CH2:3][C@:4]1([CH3:18])[C:5](=O)[CH2:6][C@:7]4([CH3:19])[C@@H:8](O)[CH2:9][C@@:10]2([CH3:20])[CH2:11][CH2:12][C:13]([CH:15]([CH3:17])[CH3:16])=[C:14]2[C@@:1]34[H]', '[H][C@@]13C[C@]1(C)C(=O)C[C@]4(C)[C@@H](O)C[C@@]2(C)CCC(C(C)C)=C2[C@@]34[H]', '[H][C@@:28]13[CH2:28][C@:29]1([CH3:20])[C:210](=O)[CH2:49][C@:49]4([CH3:12])[C@@H:74](O)[CH2:47][C@@:9999]2([CH3:25])[CH2:38][CH2:30][C:141]([CH:27]([CH3:22])[CH3:22])=[C:135]2[C@@:45]34[H]', '24 27 H 14.35 -9.85 H 15.61 -10.59 C:16 14.79 -8.79 C:17 16.64 -7.12 C:20 19.34 -12.38 C:18 11.80 -11.25 C:19 15.61 -14.53 O 11.93 -13.77 O 16.83 -15.20 C:12 18.58 -9.41 C:11 19.16 -10.71 C:6 14.38 -13.81 C:9 18.11 -13.09 C:3 13.16 -10.25 C:5 13.14 -13.09 C:13 17.17 -9.55 C:14 16.85 -10.95 C:15 16.22 -8.48 C:8 16.85 -13.81 C:10 18.11 -11.66 C:2 14.38 -10.95 C:4 13.14 -11.66 C:1 15.61 -11.66 C:7 15.61 -13.09 21 1 -2 23 2 -1 3 18 1 4 18 1 20 5 -1 22 6 -2 24 7 -2 8 15 2 19 9 -2 10 11 1 10 16 1 11 20 1 12 15 1 12 24 1 13 19 1 13 20 1 14 21 1 14 22 1 15 22 1 16 17 2 16 18 1 17 20 1 17 23 1 19 24 1 21 22 1 21 23 1 23 24 1', '24 27 H 14.35 -9.85 H 15.61 -10.59 C 14.79 -8.79 C 16.64 -7.12 C 19.34 -12.38 C 11.80 -11.25 C 15.61 -14.53 O 11.93 -13.77 O 16.83 -15.20 C 18.58 -9.41 C 19.16 -10.71 C 14.38 -13.81 C 18.11 -13.09 C 13.16 -10.25 C 13.14 -13.09 C 17.17 -9.55 C 16.85 -10.95 C 16.22 -8.48 C 16.85 -13.81 C 18.11 -11.66 C 14.38 -10.95 C 13.14 -11.66 C 15.61 -11.66 C 15.61 -13.09 21 1 -2 23 2 -1 3 18 1 4 18 1 20 5 -1 22 6 -2 24 7 -2 8 15 2 19 9 -2 10 11 1 10 16 1 11 20 1 12 15 1 12 24 1 13 19 1 13 20 1 14 21 1 14 22 1 15 22 1 16 17 2 16 18 1 17 20 1 17 23 1 19 24 1 21 22 1 21 23 1 23 24 1', '24 27 H 14.35 -9.85 H 15.61 -10.59 C:22 14.79 -8.79 C:22 16.64 -7.12 C:25 19.34 -12.38 C:20 11.80 -11.25 C:12 15.61 -14.53 O 11.93 -13.77 O 16.83 -15.20 C:30 18.58 -9.41 C:38 19.16 -10.71 C:49 14.38 -13.81 C:47 18.11 -13.09 C:28 13.16 -10.25 C:210 13.14 -13.09 C:141 17.17 -9.55 C:135 16.85 -10.95 C:27 16.22 -8.48 C:74 16.85 -13.81 C 18.11 -11.66 C:28 14.38 -10.95 C:29 13.14 -11.66 C:45 15.61 -11.66 C:49 15.61 -13.09 21 1 -2 23 2 -1 3 18 1 4 18 1 20 5 -1 22 6 -2 24 7 -2 8 15 2 19 9 -2 10 11 1 10 16 1 11 20 1 12 15 1 12 24 1 13 19 1 13 20 1 14 21 1 14 22 1 15 22 1 16 17 2 16 18 1 17 20 1 17 23 1 19 24 1 21 22 1 21 23 1 23 24 1', 'C20H30O2', 302.229, 'C', 'ph_44_1495_10', 767, '', '', '2', 1, NULL, NULL),
(1525, 'Cespitularin A', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][CH:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][c:10]2o[cH:18][c:12]([CH2:13][CH2:14]1)[c:11]2[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]13CCC(=C)CC(O)C=C(C)Cc2occ(CC1)c2[C@@]3(C)C', '[H][C@@:43]13[CH2:31][CH2:30][C:147](=[CH2:112])[CH2:45][CH:69](O)[CH:130]=[C:134]([CH3:18])[CH2:38][c:145]2o[cH:135][c:124]([CH2:18][CH2:26]1)[c:126]2[C@@:34]3([CH3:26])[CH3:34]', '23 25 H 14.90 -13.19 C:20 18.27 -14.21 C:19 18.10 -8.10 C:16 15.84 -9.67 C:17 16.09 -11.33 O 20.04 -9.69 C:7 17.63 -10.43 C:18 11.66 -9.46 C:3 17.14 -12.25 C:13 12.62 -12.02 C:2 16.10 -12.71 C:14 13.76 -12.71 C:9 15.48 -8.29 C:5 19.43 -12.03 O 12.37 -8.17 C:4 18.28 -12.81 C:8 17.04 -9.01 C:12 12.61 -10.69 C:10 13.76 -8.63 C:11 13.76 -10.00 C:6 19.06 -10.69 C:1 14.90 -12.02 C:15 14.90 -10.69 22 1 -1 2 16 2 3 17 1 23 4 -1 23 5 -2 6 21 1 7 17 2 7 21 1 8 15 1 8 18 2 9 11 1 9 16 1 10 12 1 10 18 1 11 22 1 12 22 1 13 17 1 13 19 1 14 16 1 14 21 1 15 19 1 18 20 1 19 20 2 20 23 1 22 23 1', '23 25 H 14.90 -13.19 C 18.27 -14.21 C 18.10 -8.10 C 15.84 -9.67 C 16.09 -11.33 O 20.04 -9.69 C 17.63 -10.43 C 11.66 -9.46 C 17.14 -12.25 C 12.62 -12.02 C 16.10 -12.71 C 13.76 -12.71 C 15.48 -8.29 C 19.43 -12.03 O 12.37 -8.17 C 18.28 -12.81 C 17.04 -9.01 C 12.61 -10.69 C 13.76 -8.63 C 13.76 -10.00 C 19.06 -10.69 C 14.90 -12.02 C 14.90 -10.69 22 1 -1 2 16 2 3 17 1 23 4 -1 23 5 -2 6 21 1 7 17 2 7 21 1 8 15 1 8 18 2 9 11 1 9 16 1 10 12 1 10 18 1 11 22 1 12 22 1 13 17 1 13 19 1 14 16 1 14 21 1 15 19 1 18 20 1 19 20 2 20 23 1 22 23 1', '23 25 H 14.90 -13.19 C:112 18.27 -14.21 C:18 18.10 -8.10 C:34 15.84 -9.67 C:26 16.09 -11.33 O 20.04 -9.69 C:130 17.63 -10.43 C:135 11.66 -9.46 C:30 17.14 -12.25 C:18 12.62 -12.02 C:31 16.10 -12.71 C:26 13.76 -12.71 C:38 15.48 -8.29 C:45 19.43 -12.03 O 12.37 -8.17 C:147 18.28 -12.81 C:134 17.04 -9.01 C:124 12.61 -10.69 C:145 13.76 -8.63 C:126 13.76 -10.00 C:69 19.06 -10.69 C:43 14.90 -12.02 C:34 14.90 -10.69 22 1 -1 2 16 2 3 17 1 23 4 -1 23 5 -2 6 21 1 7 17 2 7 21 1 8 15 1 8 18 2 9 11 1 9 16 1 10 12 1 10 18 1 11 22 1 12 22 1 13 17 1 13 19 1 14 16 1 14 21 1 15 19 1 18 20 1 19 20 2 20 23 1 22 23 1', 'C20H28O2', 300.221, 'C', 'np02_1429_1', 555, '15', 'Numeracion antigua', '1', 1, NULL, NULL),
(1526, 'Cespitularin B', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:19])[CH2:9][c:10]2o[cH:18][c:12]([CH2:13][CH2:14]1)[c:11]2[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]13CCC(=C)CCC=C(C)Cc2occ(CC1)c2[C@@]3(C)C', '[H][C@@:45]13[CH2:33][CH2:29][C:153](=[CH2:109])[CH2:33][CH2:37][CH:127]=[C:134]([CH3:18])[CH2:36][c:147]2o[cH:135][c:123]([CH2:16][CH2:26]1)[c:125]2[C@@:35]3([CH3:26])[CH3:34]', '22 24 H 14.62 -13.19 C:20 17.99 -14.21 C:19 17.82 -8.10 C:16 15.56 -9.67 C:17 15.81 -11.33 C:7 17.35 -10.43 C:18 11.38 -9.46 C:6 18.78 -10.69 C:5 19.15 -12.03 C:3 16.86 -12.25 C:13 12.34 -12.02 C:2 15.82 -12.71 C:14 13.48 -12.71 C:9 15.20 -8.29 O 12.09 -8.17 C:8 16.76 -9.01 C:4 18.00 -12.81 C:12 12.33 -10.69 C:10 13.48 -8.63 C:11 13.48 -10.00 C:1 14.62 -12.02 C:15 14.62 -10.69 21 1 -1 2 17 2 3 16 1 22 4 -1 22 5 -2 6 8 1 6 16 2 7 15 1 7 18 2 8 9 1 9 17 1 10 12 1 10 17 1 11 13 1 11 18 1 12 21 1 13 21 1 14 16 1 14 19 1 15 19 1 18 20 1 19 20 2 20 22 1 21 22 1', '22 24 H 14.62 -13.19 C 17.99 -14.21 C 17.82 -8.10 C 15.56 -9.67 C 15.81 -11.33 C 17.35 -10.43 C 11.38 -9.46 C 18.78 -10.69 C 19.15 -12.03 C 16.86 -12.25 C 12.34 -12.02 C 15.82 -12.71 C 13.48 -12.71 C 15.20 -8.29 O 12.09 -8.17 C 16.76 -9.01 C 18.00 -12.81 C 12.33 -10.69 C 13.48 -8.63 C 13.48 -10.00 C 14.62 -12.02 C 14.62 -10.69 21 1 -1 2 17 2 3 16 1 22 4 -1 22 5 -2 6 8 1 6 16 2 7 15 1 7 18 2 8 9 1 9 17 1 10 12 1 10 17 1 11 13 1 11 18 1 12 21 1 13 21 1 14 16 1 14 19 1 15 19 1 18 20 1 19 20 2 20 22 1 21 22 1', '22 24 H 14.62 -13.19 C:109 17.99 -14.21 C:18 17.82 -8.10 C:34 15.56 -9.67 C:26 15.81 -11.33 C:127 17.35 -10.43 C:135 11.38 -9.46 C:37 18.78 -10.69 C:33 19.15 -12.03 C:29 16.86 -12.25 C:16 12.34 -12.02 C:33 15.82 -12.71 C:26 13.48 -12.71 C:36 15.20 -8.29 O 12.09 -8.17 C:134 16.76 -9.01 C:153 18.00 -12.81 C:123 12.33 -10.69 C:147 13.48 -8.63 C:125 13.48 -10.00 C:45 14.62 -12.02 C:35 14.62 -10.69 21 1 -1 2 17 2 3 16 1 22 4 -1 22 5 -2 6 8 1 6 16 2 7 15 1 7 18 2 8 9 1 9 17 1 10 12 1 10 17 1 11 13 1 11 18 1 12 21 1 13 21 1 14 16 1 14 19 1 15 19 1 18 20 1 19 20 2 20 22 1 21 22 1', 'C20H28O', 284.221, 'C', 'np02_1429_2', 555, '', '', '1', 1, NULL, NULL),
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(1541, 'ent-5-ep-verticillol', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:11]12[CH2:10][CH2:9][C:8]([CH3:19])=[CH:7][CH2:6][CH2:5][C:4]([CH3:20])=[CH:3][CH2:2][C@H:1]([CH2:14][CH2:13][C@@:12]1([CH3:18])O)[C@:15]2([CH3:17])[CH3:16]', '[H][C@]12CCC(C)=CCCC(C)=CC[C@H](CC[C@@]1(C)O)[C@]2(C)C', '[H][C@:42]12[CH2:20][CH2:41][C:133]([CH3:16])=[CH:130][CH2:27][CH2:40][C:133]([CH3:15])=[CH:128][CH2:34][C@H:44]([CH2:27][CH2:39][C@@:74]1([CH3:32])O)[C@:36]2([CH3:28])[CH3:27]', '22 23 H 13.30 -9.39 C:19 18.38 -7.92 C:20 18.62 -14.36 C:16 16.06 -9.58 C:17 16.34 -11.32 C:18 11.81 -9.37 O 11.30 -11.02 C:7 17.95 -10.38 C:3 17.42 -12.29 C:6 19.43 -10.65 C:2 16.35 -12.78 C:5 19.82 -12.05 C:9 16.17 -8.48 C:14 13.87 -12.78 C:10 14.71 -8.73 C:13 12.67 -12.04 C:8 17.42 -9.22 C:4 18.61 -12.89 C:1 15.10 -12.04 C:15 15.10 -10.64 C:12 12.66 -10.64 C:11 13.87 -9.94 22 1 -1 2 17 1 3 18 1 20 4 -1 20 5 -2 21 6 -2 21 7 -1 8 10 1 8 17 2 9 11 1 9 18 2 10 12 1 19 11 -2 12 18 1 13 15 1 13 17 1 14 16 1 14 19 1 15 22 1 16 21 1 19 20 1 20 22 1 21 22 1', '22 23 H 13.30 -9.39 C 18.38 -7.92 C 18.62 -14.36 C 16.06 -9.58 C 16.34 -11.32 C 11.81 -9.37 O 11.30 -11.02 C 17.95 -10.38 C 17.42 -12.29 C 19.43 -10.65 C 16.35 -12.78 C 19.82 -12.05 C 16.17 -8.48 C 13.87 -12.78 C 14.71 -8.73 C 12.67 -12.04 C 17.42 -9.22 C 18.61 -12.89 C 15.10 -12.04 C 15.10 -10.64 C 12.66 -10.64 C 13.87 -9.94 22 1 -1 2 17 1 3 18 1 20 4 -1 20 5 -2 21 6 -2 21 7 -1 8 10 1 8 17 2 9 11 1 9 18 2 10 12 1 19 11 -2 12 18 1 13 15 1 13 17 1 14 16 1 14 19 1 15 22 1 16 21 1 19 20 1 20 22 1 21 22 1', '22 23 H 13.30 -9.39 C:16 18.38 -7.92 C:15 18.62 -14.36 C:27 16.06 -9.58 C:28 16.34 -11.32 C:32 11.81 -9.37 O 11.30 -11.02 C:130 17.95 -10.38 C:128 17.42 -12.29 C:27 19.43 -10.65 C:34 16.35 -12.78 C:40 19.82 -12.05 C:41 16.17 -8.48 C:27 13.87 -12.78 C:20 14.71 -8.73 C:39 12.67 -12.04 C:133 17.42 -9.22 C:133 18.61 -12.89 C:44 15.10 -12.04 C:36 15.10 -10.64 C:74 12.66 -10.64 C:42 13.87 -9.94 22 1 -1 2 17 1 3 18 1 20 4 -1 20 5 -2 21 6 -2 21 7 -1 8 10 1 8 17 2 9 11 1 9 18 2 10 12 1 19 11 -2 12 18 1 13 15 1 13 17 1 14 16 1 14 19 1 15 22 1 16 21 1 19 20 1 20 22 1 21 22 1', 'C20H34O', 290.221, 'C', 'ph_46_1203_4', 1606, '', '', '1', 1, NULL, NULL),
(1542, 'ent-isoverticillenol', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:11]12[CH2:10][CH2:9][C:8]([CH3:19])=[CH:7][CH2:6][CH2:5][C:4]([CH3:20])=[CH:3][CH2:2][C@:1](O)([CH2:14][CH2:13][C:12]1=[CH2:18])[C@:15]2([CH3:17])[CH3:16]', '[H][C@]12CCC(C)=CCCC(C)=CC[C@](O)(CCC1=C)[C@]2(C)C', '[H][C@:43]12[CH2:20][CH2:38][C:134]([CH3:16])=[CH:128][CH2:26][CH2:41][C:134]([CH3:15])=[CH:124][CH2:42][C@:77](O)([CH2:39][CH2:35][C:147]1=[CH2:107])[C@:42]2([CH3:22])[CH3:19]', '22 23 H 13.24 -9.37 C:18 11.38 -9.93 C:19 18.34 -7.90 C:20 18.58 -14.36 C:16 16.01 -9.56 C:17 16.29 -11.31 O 15.06 -13.45 C:7 17.91 -10.37 C:3 17.38 -12.29 C:6 19.40 -10.64 C:2 16.30 -12.78 C:5 19.79 -12.05 C:9 16.12 -8.46 C:13 12.61 -12.04 C:10 14.66 -8.71 C:14 13.81 -12.78 C:8 17.38 -9.20 C:4 18.57 -12.89 C:12 12.60 -10.63 C:11 13.81 -9.93 C:15 15.05 -10.63 C:1 15.05 -12.04 20 1 -1 2 19 2 3 17 1 4 18 1 21 5 -1 21 6 -2 22 7 -1 8 10 1 8 17 2 9 11 1 9 18 2 10 12 1 11 22 1 12 18 1 13 15 1 13 17 1 14 16 1 14 19 1 15 20 1 16 22 1 19 20 1 20 21 1 21 22 1', '22 23 H 13.24 -9.37 C 11.38 -9.93 C 18.34 -7.90 C 18.58 -14.36 C 16.01 -9.56 C 16.29 -11.31 O 15.06 -13.45 C 17.91 -10.37 C 17.38 -12.29 C 19.40 -10.64 C 16.30 -12.78 C 19.79 -12.05 C 16.12 -8.46 C 12.61 -12.04 C 14.66 -8.71 C 13.81 -12.78 C 17.38 -9.20 C 18.57 -12.89 C 12.60 -10.63 C 13.81 -9.93 C 15.05 -10.63 C 15.05 -12.04 20 1 -1 2 19 2 3 17 1 4 18 1 21 5 -1 21 6 -2 22 7 -1 8 10 1 8 17 2 9 11 1 9 18 2 10 12 1 11 22 1 12 18 1 13 15 1 13 17 1 14 16 1 14 19 1 15 20 1 16 22 1 19 20 1 20 21 1 21 22 1', '22 23 H 13.24 -9.37 C:107 11.38 -9.93 C:16 18.34 -7.90 C:15 18.58 -14.36 C:19 16.01 -9.56 C:22 16.29 -11.31 O 15.06 -13.45 C:128 17.91 -10.37 C:124 17.38 -12.29 C:26 19.40 -10.64 C:42 16.30 -12.78 C:41 19.79 -12.05 C:38 16.12 -8.46 C:35 12.61 -12.04 C:20 14.66 -8.71 C:39 13.81 -12.78 C:134 17.38 -9.20 C:134 18.57 -12.89 C:147 12.60 -10.63 C:43 13.81 -9.93 C:42 15.05 -10.63 C:77 15.05 -12.04 20 1 -1 2 19 2 3 17 1 4 18 1 21 5 -1 21 6 -2 22 7 -1 8 10 1 8 17 2 9 11 1 9 18 2 10 12 1 11 22 1 12 18 1 13 15 1 13 17 1 14 16 1 14 19 1 15 20 1 16 22 1 19 20 1 20 21 1 21 22 1', 'C20H32O', 288.221, 'C', 'ph_46_1203_5', 1606, '', '', '1', 1, NULL, NULL),
(1543, 'infuscatrienol', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH2:1]=[CH:2][C:3]([CH3:18])(O)[CH2:4][CH2:5][C@@:6]1([CH3:19])[C:11]([CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])=[CH:10][CH2:9][CH2:8][C@H:7]1[CH3:20]', 'C=CC(C)(O)CC[C@@]1(C)C(CCC=C(C)C)=CCC[C@H]1C', '[CH2:112]=[CH:146][C:73]([CH3:29])(O)[CH2:37][CH2:31][C@@:41]1([CH3:22])[C:144]([CH2:31][CH2:28][CH:126]=[C:131]([CH3:18])[CH3:26])=[CH:123][CH2:26][CH2:28][C@H:34]1[CH3:17]', '21 21 C:1 19.80 -9.41 C:17 16.17 -14.29 C:16 18.60 -14.28 C:20 12.51 -8.00 C:18 16.39 -8.41 C:19 13.74 -8.70 O 18.37 -8.42 C:2 18.59 -10.11 C:14 17.38 -12.19 C:10 12.52 -12.20 C:13 16.16 -11.49 C:9 11.31 -11.50 C:12 14.95 -12.19 C:8 11.31 -10.10 C:4 16.16 -10.10 C:5 14.95 -9.40 C:15 17.38 -13.59 C:11 13.74 -11.50 C:7 12.52 -9.40 C:3 17.38 -9.41 C:6 13.74 -10.10 1 8 2 2 17 1 3 17 1 19 4 -1 5 20 1 21 6 -2 7 20 1 8 20 1 9 11 1 9 17 2 10 12 1 10 18 2 11 13 1 12 14 1 13 18 1 14 19 1 15 16 1 15 20 1 21 16 -1 18 21 1 19 21 1', '21 21 C 19.80 -9.41 C 16.17 -14.29 C 18.60 -14.28 C 12.51 -8.00 C 16.39 -8.41 C 13.74 -8.70 O 18.37 -8.42 C 18.59 -10.11 C 17.38 -12.19 C 12.52 -12.20 C 16.16 -11.49 C 11.31 -11.50 C 14.95 -12.19 C 11.31 -10.10 C 16.16 -10.10 C 14.95 -9.40 C 17.38 -13.59 C 13.74 -11.50 C 12.52 -9.40 C 17.38 -9.41 C 13.74 -10.10 1 8 2 2 17 1 3 17 1 19 4 -1 5 20 1 21 6 -2 7 20 1 8 20 1 9 11 1 9 17 2 10 12 1 10 18 2 11 13 1 12 14 1 13 18 1 14 19 1 15 16 1 15 20 1 21 16 -1 18 21 1 19 21 1', '21 21 C:112 19.80 -9.41 C:26 16.17 -14.29 C:18 18.60 -14.28 C:17 12.51 -8.00 C:29 16.39 -8.41 C:22 13.74 -8.70 O 18.37 -8.42 C:146 18.59 -10.11 C:126 17.38 -12.19 C:123 12.52 -12.20 C:28 16.16 -11.49 C:26 11.31 -11.50 C:31 14.95 -12.19 C:28 11.31 -10.10 C:37 16.16 -10.10 C:31 14.95 -9.40 C:131 17.38 -13.59 C:144 13.74 -11.50 C:34 12.52 -9.40 C:73 17.38 -9.41 C:41 13.74 -10.10 1 8 2 2 17 1 3 17 1 19 4 -1 5 20 1 21 6 -2 7 20 1 8 20 1 9 11 1 9 17 2 10 12 1 10 18 2 11 13 1 12 14 1 13 18 1 14 19 1 15 16 1 15 20 1 21 16 -1 18 21 1 19 21 1', 'C20H34O', 290.213, 'B', 'ph_46_1203_10', 1606, '', '', '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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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
(1564, '5-epi-Vibsanin C', '', 'Terpenoids', 'Diterpenoids', 'Vibsanes', '[CH3:17][C:15]([CH3:16])=[CH:14][CH2:13][CH2:12][C@@:11]1([CH3:20])[CH2:1][CH:2]=[C:3]([CH2:18]O)[C:4](=O)[C@H:5]([CH2:6][C:7]([CH3:19])=O)[C@@H:10]1[CH:9]=[CH:8]O[C:8001](=O)[CH:8002]=[C:8003]([CH3:8301])[CH3:8004]', 'CC(C)=CCC[C@@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@@H]1C=COC(=O)C=C(C)C', '[CH3:26][C:131]([CH3:18])=[CH:125][CH2:23][CH2:41][C@@:43]1([CH3:25])[CH2:39][CH:139]=[C:144]([CH2:64]O)[C:204](=O)[C@H:48]([CH2:44][C:206]([CH3:30])=O)[C@@H:48]1[CH:112]=[CH:138]O[C:163](=O)[CH:115]=[C:160]([CH3:20])[CH3:27]', '30 30 C:17 22.10 -16.14 C:16 22.63 -13.75 C:8301 9.94 -8.63 C:8004 8.54 -10.61 C:19 14.33 -6.69 C:20 17.11 -12.53 O 16.71 -6.45 O 12.33 -8.84 O 17.76 -6.94 O 19.83 -6.24 C:8 14.58 -10.43 C:9 15.71 -11.20 C:14 20.31 -14.48 C:2 20.07 -9.91 C:8002 10.95 -10.82 C:13 19.88 -13.15 C:18 20.33 -7.54 C:1 19.45 -11.18 C:12 18.49 -12.85 C:6 15.70 -8.63 O 13.34 -11.02 C:15 21.69 -14.79 C:8003 9.81 -10.02 C:7 15.58 -7.26 C:8001 12.20 -10.23 C:4 18.07 -8.31 C:3 19.45 -8.63 C:10 16.94 -10.61 C:5 16.94 -9.20 C:11 18.07 -11.50 1 22 1 2 22 1 3 23 1 4 23 1 5 24 1 30 6 -1 7 24 2 8 25 2 9 26 2 10 17 1 11 12 2 11 21 1 28 12 -1 13 16 1 13 22 2 14 18 1 14 27 2 15 23 2 15 25 1 16 19 1 17 27 1 18 30 1 30 19 -2 20 24 1 29 20 -1 21 25 1 26 27 1 26 29 1 28 29 1 28 30 1', '30 30 C 22.10 -16.14 C 22.63 -13.75 C 9.94 -8.63 C 8.54 -10.61 C 14.33 -6.69 C 17.11 -12.53 O 16.71 -6.45 O 12.33 -8.84 O 17.76 -6.94 O 19.83 -6.24 C 14.58 -10.43 C 15.71 -11.20 C 20.31 -14.48 C 20.07 -9.91 C 10.95 -10.82 C 19.88 -13.15 C 20.33 -7.54 C 19.45 -11.18 C 18.49 -12.85 C 15.70 -8.63 O 13.34 -11.02 C 21.69 -14.79 C 9.81 -10.02 C 15.58 -7.26 C 12.20 -10.23 C 18.07 -8.31 C 19.45 -8.63 C 16.94 -10.61 C 16.94 -9.20 C 18.07 -11.50 1 22 1 2 22 1 3 23 1 4 23 1 5 24 1 30 6 -1 7 24 2 8 25 2 9 26 2 10 17 1 11 12 2 11 21 1 28 12 -1 13 16 1 13 22 2 14 18 1 14 27 2 15 23 2 15 25 1 16 19 1 17 27 1 18 30 1 30 19 -2 20 24 1 29 20 -1 21 25 1 26 27 1 26 29 1 28 29 1 28 30 1', '30 30 C:26 22.10 -16.14 C:18 22.63 -13.75 C:20 9.94 -8.63 C:27 8.54 -10.61 C:30 14.33 -6.69 C:25 17.11 -12.53 O 16.71 -6.45 O 12.33 -8.84 O 17.76 -6.94 O 19.83 -6.24 C:138 14.58 -10.43 C:112 15.71 -11.20 C:125 20.31 -14.48 C:139 20.07 -9.91 C:115 10.95 -10.82 C:23 19.88 -13.15 C:64 20.33 -7.54 C:39 19.45 -11.18 C:41 18.49 -12.85 C:44 15.70 -8.63 O 13.34 -11.02 C:131 21.69 -14.79 C:160 9.81 -10.02 C:206 15.58 -7.26 C:163 12.20 -10.23 C:204 18.07 -8.31 C:144 19.45 -8.63 C:48 16.94 -10.61 C:48 16.94 -9.20 C:43 18.07 -11.50 1 22 1 2 22 1 3 23 1 4 23 1 5 24 1 30 6 -1 7 24 2 8 25 2 9 26 2 10 17 1 11 12 2 11 21 1 28 12 -1 13 16 1 13 22 2 14 18 1 14 27 2 15 23 2 15 25 1 16 19 1 17 27 1 18 30 1 30 19 -2 20 24 1 29 20 -1 21 25 1 26 27 1 26 29 1 28 29 1 28 30 1', 'C25H36O5', 416.264, 'B', 'cpb02_368_1', 669, '', '', '1', 1, NULL, NULL),
(1565, '5-epi-Vibsanin H', '', 'Terpenoids', 'Diterpenoids', 'Vibsanes', '[CH3:8004][C:8003]([CH3:8301])=[CH:8002][C:8001](=O)O[CH:8]=[CH:9][C@H:10]1[C@@H:5]([CH2:6][C:7]([CH3:19])=O)[C:4](=O)[C:3]([CH2:18]O)=[CH:2][CH2:1][C@:11]1([CH3:20])[CH2:12][CH:13]=[CH:14][C:15]([CH3:16])([CH3:17])O', 'CC(C)=CC(=O)OC=C[C@H]1[C@@H](CC(C)=O)C(=O)C(CO)=CC[C@]1(C)CC=CC(C)(C)O', '[CH3:28][C:161]([CH3:21])=[CH:115][C:163](=O)O[CH:138]=[CH:111][C@H:47]1[C@@H:49]([CH2:44][C:208]([CH3:31])=O)[C:204](=O)[C:143]([CH2:65]O)=[CH:141][CH2:39][C@:41]1([CH3:25])[CH2:46][CH:122]=[CH:143][C:71]([CH3:30])([CH3:30])O', '31 31 C:8004 8.31 -10.61 C:8301 9.71 -8.63 C:19 14.10 -6.69 C:16 22.42 -13.75 C:17 21.89 -16.14 C:20 16.90 -12.53 O 16.50 -6.45 O 12.11 -8.84 O 17.55 -6.94 O 19.60 -6.23 O 22.84 -15.09 C:13 19.66 -13.15 C:8 14.35 -10.43 C:9 15.48 -11.20 C:14 20.09 -14.48 C:2 19.85 -9.91 C:8002 10.73 -10.82 C:18 20.11 -7.54 C:12 18.27 -12.85 C:1 19.23 -11.18 C:6 15.47 -8.63 O 13.11 -11.02 C:8003 9.58 -10.02 C:7 15.35 -7.26 C:8001 11.98 -10.23 C:4 17.85 -8.31 C:3 19.23 -8.63 C:10 16.73 -10.61 C:5 16.73 -9.20 C:15 21.48 -14.79 C:11 17.85 -11.50 1 23 1 2 23 1 3 24 1 4 30 1 5 30 1 31 6 -1 7 24 2 8 25 2 9 26 2 10 18 1 11 30 1 12 15 2 12 19 1 13 14 2 13 22 1 28 14 -1 15 30 1 16 20 1 16 27 2 17 23 2 17 25 1 18 27 1 31 19 -2 20 31 1 21 24 1 29 21 -1 22 25 1 26 27 1 26 29 1 28 29 1 28 31 1', '31 31 C 8.31 -10.61 C 9.71 -8.63 C 14.10 -6.69 C 22.42 -13.75 C 21.89 -16.14 C 16.90 -12.53 O 16.50 -6.45 O 12.11 -8.84 O 17.55 -6.94 O 19.60 -6.23 O 22.84 -15.09 C 19.66 -13.15 C 14.35 -10.43 C 15.48 -11.20 C 20.09 -14.48 C 19.85 -9.91 C 10.73 -10.82 C 20.11 -7.54 C 18.27 -12.85 C 19.23 -11.18 C 15.47 -8.63 O 13.11 -11.02 C 9.58 -10.02 C 15.35 -7.26 C 11.98 -10.23 C 17.85 -8.31 C 19.23 -8.63 C 16.73 -10.61 C 16.73 -9.20 C 21.48 -14.79 C 17.85 -11.50 1 23 1 2 23 1 3 24 1 4 30 1 5 30 1 31 6 -1 7 24 2 8 25 2 9 26 2 10 18 1 11 30 1 12 15 2 12 19 1 13 14 2 13 22 1 28 14 -1 15 30 1 16 20 1 16 27 2 17 23 2 17 25 1 18 27 1 31 19 -2 20 31 1 21 24 1 29 21 -1 22 25 1 26 27 1 26 29 1 28 29 1 28 31 1', '31 31 C:28 8.31 -10.61 C:21 9.71 -8.63 C:31 14.10 -6.69 C:30 22.42 -13.75 C:30 21.89 -16.14 C:25 16.90 -12.53 O 16.50 -6.45 O 12.11 -8.84 O 17.55 -6.94 O 19.60 -6.23 O 22.84 -15.09 C:122 19.66 -13.15 C:138 14.35 -10.43 C:111 15.48 -11.20 C:143 20.09 -14.48 C:141 19.85 -9.91 C:115 10.73 -10.82 C:65 20.11 -7.54 C:46 18.27 -12.85 C:39 19.23 -11.18 C:44 15.47 -8.63 O 13.11 -11.02 C:161 9.58 -10.02 C:208 15.35 -7.26 C:163 11.98 -10.23 C:204 17.85 -8.31 C:143 19.23 -8.63 C:47 16.73 -10.61 C:49 16.73 -9.20 C:71 21.48 -14.79 C:41 17.85 -11.50 1 23 1 2 23 1 3 24 1 4 30 1 5 30 1 31 6 -1 7 24 2 8 25 2 9 26 2 10 18 1 11 30 1 12 15 2 12 19 1 13 14 2 13 22 1 28 14 -1 15 30 1 16 20 1 16 27 2 17 23 2 17 25 1 18 27 1 31 19 -2 20 31 1 21 24 1 29 21 -1 22 25 1 26 27 1 26 29 1 28 29 1 28 31 1', 'C25H36O6', 432.264, 'B', 'cpb02_368_2', 669, '', '', '1', 1, NULL, NULL),
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(1579, '5-epi-Vibsanin G', '', 'Terpenoids', 'Diterpenoids', 'Vibsanes', '[CH2:16]=[C:15]([CH3:17])[CH:14](O)[CH2:13][CH2:12][C@@:11]1([CH3:20])[CH2:1][CH:2]=[C:3]([CH2:18]O)[C:4](=O)[C@H:5]([CH2:6][C:7]([CH3:19])=O)[C@@H:10]1[CH:9]=[CH:8]O[C:8001](=O)[CH:8002]=[C:8003]([CH3:8301])[CH3:8004]', 'C=C(C)C(O)CC[C@@]1(C)CC=C(CO)C(=O)[C@H](CC(C)=O)[C@@H]1C=COC(=O)C=C(C)C', '[CH2:112]=[C:147]([CH3:18])[CH:76](O)[CH2:29][CH2:38][C@@:40]1([CH3:25])[CH2:39][CH:141]=[C:143]([CH2:65]O)[C:204](=O)[C@H:48]([CH2:44][C:208]([CH3:30])=O)[C@@H:47]1[CH:111]=[CH:138]O[C:163](=O)[CH:115]=[C:160]([CH3:21])[CH3:28]', '31 31 C:16 22.64 -13.75 C:8301 9.94 -8.63 C:8004 8.54 -10.61 C:17 22.11 -16.14 C:19 14.33 -6.69 C:20 17.12 -12.53 O 16.72 -6.45 O 12.34 -8.84 O 17.77 -6.94 O 19.82 -6.23 O 19.36 -15.51 C:8 14.58 -10.43 C:2 20.07 -9.91 C:9 15.71 -11.20 C:8002 10.95 -10.82 C:18 20.33 -7.54 C:13 19.88 -13.14 C:1 19.45 -11.18 C:12 18.49 -12.84 C:6 15.70 -8.63 O 13.34 -11.02 C:8003 9.81 -10.02 C:15 21.69 -14.79 C:7 15.58 -7.26 C:8001 12.21 -10.23 C:4 18.07 -8.31 C:3 19.45 -8.63 C:14 20.31 -14.48 C:5 16.95 -9.20 C:10 16.95 -10.61 C:11 18.07 -11.50 1 23 2 2 22 1 3 22 1 4 23 1 5 24 1 31 6 -1 7 24 2 8 25 2 9 26 2 10 16 1 11 28 1 12 14 2 12 21 1 13 18 1 13 27 2 30 14 -1 15 22 2 15 25 1 16 27 1 17 19 1 17 28 1 18 31 1 31 19 -2 20 24 1 29 20 -1 21 25 1 23 28 1 26 27 1 26 29 1 29 30 1 30 31 1', '31 31 C 22.64 -13.75 C 9.94 -8.63 C 8.54 -10.61 C 22.11 -16.14 C 14.33 -6.69 C 17.12 -12.53 O 16.72 -6.45 O 12.34 -8.84 O 17.77 -6.94 O 19.82 -6.23 O 19.36 -15.51 C 14.58 -10.43 C 20.07 -9.91 C 15.71 -11.20 C 10.95 -10.82 C 20.33 -7.54 C 19.88 -13.14 C 19.45 -11.18 C 18.49 -12.84 C 15.70 -8.63 O 13.34 -11.02 C 9.81 -10.02 C 21.69 -14.79 C 15.58 -7.26 C 12.21 -10.23 C 18.07 -8.31 C 19.45 -8.63 C 20.31 -14.48 C 16.95 -9.20 C 16.95 -10.61 C 18.07 -11.50 1 23 2 2 22 1 3 22 1 4 23 1 5 24 1 31 6 -1 7 24 2 8 25 2 9 26 2 10 16 1 11 28 1 12 14 2 12 21 1 13 18 1 13 27 2 30 14 -1 15 22 2 15 25 1 16 27 1 17 19 1 17 28 1 18 31 1 31 19 -2 20 24 1 29 20 -1 21 25 1 23 28 1 26 27 1 26 29 1 29 30 1 30 31 1', '31 31 C:112 22.64 -13.75 C:21 9.94 -8.63 C:28 8.54 -10.61 C:18 22.11 -16.14 C:30 14.33 -6.69 C:25 17.12 -12.53 O 16.72 -6.45 O 12.34 -8.84 O 17.77 -6.94 O 19.82 -6.23 O 19.36 -15.51 C:138 14.58 -10.43 C:141 20.07 -9.91 C:111 15.71 -11.20 C:115 10.95 -10.82 C:65 20.33 -7.54 C:29 19.88 -13.14 C:39 19.45 -11.18 C:38 18.49 -12.84 C:44 15.70 -8.63 O 13.34 -11.02 C:160 9.81 -10.02 C:147 21.69 -14.79 C:208 15.58 -7.26 C:163 12.21 -10.23 C:204 18.07 -8.31 C:143 19.45 -8.63 C:76 20.31 -14.48 C:48 16.95 -9.20 C:47 16.95 -10.61 C:40 18.07 -11.50 1 23 2 2 22 1 3 22 1 4 23 1 5 24 1 31 6 -1 7 24 2 8 25 2 9 26 2 10 16 1 11 28 1 12 14 2 12 21 1 13 18 1 13 27 2 30 14 -1 15 22 2 15 25 1 16 27 1 17 19 1 17 28 1 18 31 1 31 19 -2 20 24 1 29 20 -1 21 25 1 23 28 1 26 27 1 26 29 1 29 30 1 30 31 1', 'C25H36O6', 432.264, 'C', 'np04_74_1', 2031, '', '', '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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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
(1596, 'Caesalpinin MF', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1(O)[C@:4]([CH3:19])([CH3:18])[C@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][c:12]3o[cH:16][cH:15][c:13]3[C@H:14]4[C:17](=O)O[CH3:17001]', '[H][C@@]24CC[C@@]1(O)[C@](C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]1(C)[C@@]2([H])Cc3occc3[C@H]4C(=O)OC', '[H][C@@:35]24[CH2:26][CH2:26][C@@:77]1(O)[C@:42]([CH3:23])([CH3:25])[C@H:77](O[C:169]([CH3:21])=O)[CH2:27][C@H:74](O[C:169]([CH3:21])=O)[C@:44]1([CH3:18])[C@@:37]2([H])[CH2:22][c:151]3o[cH:141][cH:109][c:114]3[C@H:49]4[C:175](=O)O[CH3:52]', '35 38 H 18.04 -10.75 H 16.77 -12.06 C:17001 21.76 -13.86 C:3002 9.37 -13.92 C:1002 12.97 -7.57 C:18 15.24 -15.02 C:19 13.20 -14.92 C:20 15.52 -10.34 O 10.60 -11.82 O 11.80 -9.69 O 21.75 -11.12 O 15.52 -14.25 C:16 19.74 -7.31 C:15 20.35 -8.62 C:7 18.04 -13.23 C:6 16.77 -13.97 C:2 13.01 -11.78 C:11 16.77 -9.58 O 20.52 -13.18 O 11.80 -13.93 O 14.22 -9.65 O 18.32 -7.47 C:3001 10.59 -13.22 C:1001 13.00 -8.97 C:17 20.52 -11.78 C:12 18.04 -8.88 C:13 19.27 -9.58 C:3 13.01 -13.23 C:1 14.25 -11.05 C:14 19.27 -11.05 C:4 14.25 -13.97 C:8 18.04 -11.78 C:9 16.77 -11.05 C:5 15.52 -13.23 C:10 15.52 -11.78 32 1 -1 33 2 -2 3 19 1 4 23 1 5 24 1 31 6 -2 31 7 -1 35 8 -1 9 23 2 10 24 2 11 25 2 34 12 -2 13 14 2 13 22 1 14 27 1 15 16 1 15 32 1 16 34 1 17 28 1 17 29 1 18 26 1 18 33 1 19 25 1 20 23 1 28 20 -2 21 24 1 29 21 -2 22 26 1 30 25 -1 26 27 2 27 30 1 28 31 1 29 35 1 30 32 1 31 34 1 32 33 1 33 35 1 34 35 1', '35 38 H 18.04 -10.75 H 16.77 -12.06 C 21.76 -13.86 C 9.37 -13.92 C 12.97 -7.57 C 15.24 -15.02 C 13.20 -14.92 C 15.52 -10.34 O 10.60 -11.82 O 11.80 -9.69 O 21.75 -11.12 O 15.52 -14.25 C 19.74 -7.31 C 20.35 -8.62 C 18.04 -13.23 C 16.77 -13.97 C 13.01 -11.78 C 16.77 -9.58 O 20.52 -13.18 O 11.80 -13.93 O 14.22 -9.65 O 18.32 -7.47 C 10.59 -13.22 C 13.00 -8.97 C 20.52 -11.78 C 18.04 -8.88 C 19.27 -9.58 C 13.01 -13.23 C 14.25 -11.05 C 19.27 -11.05 C 14.25 -13.97 C 18.04 -11.78 C 16.77 -11.05 C 15.52 -13.23 C 15.52 -11.78 32 1 -1 33 2 -2 3 19 1 4 23 1 5 24 1 31 6 -2 31 7 -1 35 8 -1 9 23 2 10 24 2 11 25 2 34 12 -2 13 14 2 13 22 1 14 27 1 15 16 1 15 32 1 16 34 1 17 28 1 17 29 1 18 26 1 18 33 1 19 25 1 20 23 1 28 20 -2 21 24 1 29 21 -2 22 26 1 30 25 -1 26 27 2 27 30 1 28 31 1 29 35 1 30 32 1 31 34 1 32 33 1 33 35 1 34 35 1', '35 38 H 18.04 -10.75 H 16.77 -12.06 C:52 21.76 -13.86 C:21 9.37 -13.92 C:21 12.97 -7.57 C:25 15.24 -15.02 C:23 13.20 -14.92 C:18 15.52 -10.34 O 10.60 -11.82 O 11.80 -9.69 O 21.75 -11.12 O 15.52 -14.25 C:141 19.74 -7.31 C:109 20.35 -8.62 C:26 18.04 -13.23 C:26 16.77 -13.97 C:27 13.01 -11.78 C:22 16.77 -9.58 O 20.52 -13.18 O 11.80 -13.93 O 14.22 -9.65 O 18.32 -7.47 C:169 10.59 -13.22 C:169 13.00 -8.97 C:175 20.52 -11.78 C:151 18.04 -8.88 C:114 19.27 -9.58 C:77 13.01 -13.23 C:74 14.25 -11.05 C:49 19.27 -11.05 C:42 14.25 -13.97 C:35 18.04 -11.78 C:37 16.77 -11.05 C:77 15.52 -13.23 C:44 15.52 -11.78 32 1 -1 33 2 -2 3 19 1 4 23 1 5 24 1 31 6 -2 31 7 -1 35 8 -1 9 23 2 10 24 2 11 25 2 34 12 -2 13 14 2 13 22 1 14 27 1 15 16 1 15 32 1 16 34 1 17 28 1 17 29 1 18 26 1 18 33 1 19 25 1 20 23 1 28 20 -2 21 24 1 29 21 -2 22 26 1 30 25 -1 26 27 2 27 30 1 28 31 1 29 35 1 30 32 1 31 34 1 32 33 1 33 35 1 34 35 1', 'C25H34O8', 462.279, 'C', 'cpb05_214_1', 1053, '', '', '1', 1, NULL, NULL),
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(1611, '1-Deacetylcaesalmin C', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@:9]23[CH2:11][c:12]1o[cH:16][cH:15][c:13]1[C:14](=[CH2:17])[C@:8]2([H])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@@:5]4(O)[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][C@H:1](O)[C@:10]34[CH3:20]', '[H][C@]23Cc1occc1C(=C)[C@]2([H])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(O)[C@@](C)(C)CC[C@H](O)[C@]34C', '[H][C@:38]23[CH2:23][c:151]1o[cH:142][cH:107][c:120]1[C:139](=[CH2:105])[C@:41]2([H])[C@@H:76](O[C:171]([CH3:22])=O)[C@H:76](O[C:171]([CH3:21])=O)[C@@:81]4(O)[C@@:39]([CH3:31])([CH3:25])[CH2:32][CH2:25][C@H:73](O)[C@:44]34[CH3:17]', '33 36 H 15.59 -10.82 H 16.86 -9.51 C:17 19.35 -10.54 C:7002 19.33 -14.75 C:6002 14.33 -16.21 C:19 12.02 -13.68 C:18 14.06 -13.78 C:20 14.34 -9.10 O 16.90 -14.79 O 13.15 -14.09 O 13.04 -8.41 O 14.34 -13.01 C:16 18.57 -6.07 C:15 19.18 -7.38 C:2 11.83 -10.54 C:3 11.83 -11.99 C:11 15.59 -8.34 O 18.09 -12.67 O 15.57 -14.13 O 17.14 -6.23 C:7001 18.11 -14.07 C:6001 14.35 -14.81 C:14 18.10 -9.81 C:13 18.10 -8.34 C:12 16.86 -7.64 C:1 13.07 -9.81 C:7 16.86 -11.99 C:6 15.59 -12.73 C:4 13.07 -12.73 C:9 15.59 -9.81 C:8 16.86 -10.54 C:10 14.34 -10.54 C:5 14.34 -11.99 30 1 -2 31 2 -1 3 23 2 4 21 1 5 22 1 29 6 -1 29 7 -2 32 8 -1 9 21 2 10 22 2 26 11 -2 33 12 -2 13 14 2 13 20 1 14 24 1 15 16 1 15 26 1 16 29 1 17 25 1 17 30 1 18 21 1 27 18 -1 19 22 1 28 19 -2 20 25 1 23 24 1 23 31 1 24 25 2 26 32 1 27 28 1 27 31 1 28 33 1 29 33 1 30 31 1 30 32 1 32 33 1', '33 36 H 15.59 -10.82 H 16.86 -9.51 C 19.35 -10.54 C 19.33 -14.75 C 14.33 -16.21 C 12.02 -13.68 C 14.06 -13.78 C 14.34 -9.10 O 16.90 -14.79 O 13.15 -14.09 O 13.04 -8.41 O 14.34 -13.01 C 18.57 -6.07 C 19.18 -7.38 C 11.83 -10.54 C 11.83 -11.99 C 15.59 -8.34 O 18.09 -12.67 O 15.57 -14.13 O 17.14 -6.23 C 18.11 -14.07 C 14.35 -14.81 C 18.10 -9.81 C 18.10 -8.34 C 16.86 -7.64 C 13.07 -9.81 C 16.86 -11.99 C 15.59 -12.73 C 13.07 -12.73 C 15.59 -9.81 C 16.86 -10.54 C 14.34 -10.54 C 14.34 -11.99 30 1 -2 31 2 -1 3 23 2 4 21 1 5 22 1 29 6 -1 29 7 -2 32 8 -1 9 21 2 10 22 2 26 11 -2 33 12 -2 13 14 2 13 20 1 14 24 1 15 16 1 15 26 1 16 29 1 17 25 1 17 30 1 18 21 1 27 18 -1 19 22 1 28 19 -2 20 25 1 23 24 1 23 31 1 24 25 2 26 32 1 27 28 1 27 31 1 28 33 1 29 33 1 30 31 1 30 32 1 32 33 1', '33 36 H 15.59 -10.82 H 16.86 -9.51 C:105 19.35 -10.54 C:22 19.33 -14.75 C:21 14.33 -16.21 C:25 12.02 -13.68 C:31 14.06 -13.78 C:17 14.34 -9.10 O 16.90 -14.79 O 13.15 -14.09 O 13.04 -8.41 O 14.34 -13.01 C:142 18.57 -6.07 C:107 19.18 -7.38 C:25 11.83 -10.54 C:32 11.83 -11.99 C:23 15.59 -8.34 O 18.09 -12.67 O 15.57 -14.13 O 17.14 -6.23 C:171 18.11 -14.07 C:171 14.35 -14.81 C:139 18.10 -9.81 C:120 18.10 -8.34 C:151 16.86 -7.64 C:73 13.07 -9.81 C:76 16.86 -11.99 C:76 15.59 -12.73 C:39 13.07 -12.73 C:38 15.59 -9.81 C:41 16.86 -10.54 C:44 14.34 -10.54 C:81 14.34 -11.99 30 1 -2 31 2 -1 3 23 2 4 21 1 5 22 1 29 6 -1 29 7 -2 32 8 -1 9 21 2 10 22 2 26 11 -2 33 12 -2 13 14 2 13 20 1 14 24 1 15 16 1 15 26 1 16 29 1 17 25 1 17 30 1 18 21 1 27 18 -1 19 22 1 28 19 -2 20 25 1 23 24 1 23 31 1 24 25 2 26 32 1 27 28 1 27 31 1 28 33 1 29 33 1 30 31 1 30 32 1 32 33 1', 'C24H32O7', 432.268, 'C', 'cpb05_1300_6', 1052, '', '', '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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(1630, 'Xeniafaraunol B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:7]23[CH2:8][CH2:9][C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O)[C@H:12]([CH:13]=[C:14]([CH3:16])[CH3:15])[CH:11]=[C:10]([CH:17]=O)[C@@:3]1([H])[CH2:4][CH2:5][C@:6]2([CH3:20])O3', '[H][C@]23CCC(=C)[C@]1([H])[C@@H](O)[C@H](C=C(C)C)C=C(C=O)[C@@]1([H])CC[C@]2(C)O3', '[H][C@:64]23[CH2:28][CH2:26][C:146](=[CH2:120])[C@:60]1([H])[C@@H:72](O)[C@H:44]([CH:123]=[C:137]([CH3:9999])[CH3:26])[CH:151]=[C:146]([CH:194]=O)[C@@:35]1([H])[CH2:33][CH2:38][C@:60]2([CH3:19])O3', '26 28 H 21.03 -11.98 H 16.15 -9.51 H 16.15 -13.19 C:19 16.54 -14.49 C:15 10.03 -12.83 C:16 11.23 -10.69 C:20 20.67 -8.91 O 16.17 -7.76 O 14.90 -14.23 C:17 14.91 -8.48 C:13 12.49 -12.79 C:11 13.69 -10.61 C:9 18.53 -13.40 C:8 19.76 -12.70 C:4 17.09 -9.53 C:5 18.53 -9.27 O 21.15 -10.23 C:14 11.24 -12.10 C:1 17.09 -13.14 C:10 14.91 -9.89 C:12 13.69 -12.06 C:18 14.91 -12.79 C:7 20.27 -11.33 C:3 16.15 -10.61 C:2 16.15 -12.06 C:6 19.76 -9.98 23 1 -2 24 2 -2 25 3 -1 4 19 2 5 18 1 6 18 1 26 7 -1 8 10 2 22 9 -1 10 20 1 11 18 2 21 11 -2 12 20 2 12 21 1 13 14 1 13 19 1 14 23 1 15 16 1 15 24 1 16 26 1 17 23 1 17 26 1 19 25 1 20 24 1 21 22 1 22 25 1 23 26 1 24 25 1', '26 28 H 21.03 -11.98 H 16.15 -9.51 H 16.15 -13.19 C 16.54 -14.49 C 10.03 -12.83 C 11.23 -10.69 C 20.67 -8.91 O 16.17 -7.76 O 14.90 -14.23 C 14.91 -8.48 C 12.49 -12.79 C 13.69 -10.61 C 18.53 -13.40 C 19.76 -12.70 C 17.09 -9.53 C 18.53 -9.27 O 21.15 -10.23 C 11.24 -12.10 C 17.09 -13.14 C 14.91 -9.89 C 13.69 -12.06 C 14.91 -12.79 C 20.27 -11.33 C 16.15 -10.61 C 16.15 -12.06 C 19.76 -9.98 23 1 -2 24 2 -2 25 3 -1 4 19 2 5 18 1 6 18 1 26 7 -1 8 10 2 22 9 -1 10 20 1 11 18 2 21 11 -2 12 20 2 12 21 1 13 14 1 13 19 1 14 23 1 15 16 1 15 24 1 16 26 1 17 23 1 17 26 1 19 25 1 20 24 1 21 22 1 22 25 1 23 26 1 24 25 1', '26 28 H 21.03 -11.98 H 16.15 -9.51 H 16.15 -13.19 C:120 16.54 -14.49 C:26 10.03 -12.83 C 11.23 -10.69 C:19 20.67 -8.91 O 16.17 -7.76 O 14.90 -14.23 C:194 14.91 -8.48 C:123 12.49 -12.79 C:151 13.69 -10.61 C:26 18.53 -13.40 C:28 19.76 -12.70 C:33 17.09 -9.53 C:38 18.53 -9.27 O 21.15 -10.23 C:137 11.24 -12.10 C:146 17.09 -13.14 C:146 14.91 -9.89 C:44 13.69 -12.06 C:72 14.91 -12.79 C:64 20.27 -11.33 C:35 16.15 -10.61 C:60 16.15 -12.06 C:60 19.76 -9.98 23 1 -2 24 2 -2 25 3 -1 4 19 2 5 18 1 6 18 1 26 7 -1 8 10 2 22 9 -1 10 20 1 11 18 2 21 11 -2 12 20 2 12 21 1 13 14 1 13 19 1 14 23 1 15 16 1 15 24 1 16 26 1 17 23 1 17 26 1 19 25 1 20 24 1 21 22 1 22 25 1 23 26 1 24 25 1', 'C20H28O3', 316.236, 'C', 'np00_468_3', 981, 'Dan 121 al Me-16', '', '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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(1647, 'Blumicin-A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]2([C:10](=[CH:11][CH:12]=[CH:13][C:14]([CH3:15])([CH3:16])O)[CH2:17]O[C:17001]([CH3:17002])=O)[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O)([CH2:9][CH2:8][C@@H:7]1O)[C@:2]2([H])[C:18](=O)O[CH3:18001]', '[H][C@]2(C(=CC=CC(C)(C)O)COC(C)=O)CC[C@@]1(C)C[C@](O)(CC[C@@H]1O)[C@]2([H])C(=O)OC', '[H][C@:40]2([C:142](=[CH:130][CH:121]=[CH:144][C:71]([CH3:30])([CH3:30])O)[CH2:65]O[C:171]([CH3:21])=O)[CH2:30][CH2:39][C@@:37]1([CH3:30])[CH2:45][C@:74](O)([CH2:28][CH2:28][C@@H:74]1O)[C@:61]2([H])[C:173](=O)O[CH3:52]', '32 33 H 15.87 -11.39 H 15.87 -14.80 C:18001 12.28 -14.45 C:17002 9.92 -11.70 C:16 16.98 -6.16 C:15 18.18 -8.21 C:20 20.34 -10.84 O 11.08 -13.73 O 14.66 -15.79 O 21.18 -13.08 O 18.18 -6.79 O 16.38 -16.16 C:12 15.84 -9.59 C:11 14.66 -10.29 C:13 15.85 -8.23 C:8 19.30 -14.36 C:17 13.45 -12.38 C:9 18.10 -15.05 C:5 18.10 -11.07 C:4 16.75 -11.31 C:19 17.24 -13.01 O 13.45 -13.77 O 12.28 -11.70 C:17001 11.09 -12.38 C:18 14.66 -14.45 C:10 14.66 -11.68 C:7 19.77 -13.09 C:14 16.99 -7.53 C:6 19.30 -11.78 C:3 15.87 -12.38 C:2 15.87 -13.76 C:1 16.75 -14.81 30 1 -2 31 2 -1 3 22 1 4 24 1 5 28 1 6 28 1 29 7 -1 8 24 2 9 25 2 27 10 -1 11 28 1 32 12 -1 13 14 1 13 15 2 14 26 2 15 28 1 16 18 1 16 27 1 17 23 1 17 26 1 18 32 1 19 20 1 19 29 1 20 30 1 21 29 1 21 32 1 22 25 1 23 24 1 25 31 1 26 30 1 27 29 1 30 31 1 31 32 1', '32 33 H 15.87 -11.39 H 15.87 -14.80 C 12.28 -14.45 C 9.92 -11.70 C 16.98 -6.16 C 18.18 -8.21 C 20.34 -10.84 O 11.08 -13.73 O 14.66 -15.79 O 21.18 -13.08 O 18.18 -6.79 O 16.38 -16.16 C 15.84 -9.59 C 14.66 -10.29 C 15.85 -8.23 C 19.30 -14.36 C 13.45 -12.38 C 18.10 -15.05 C 18.10 -11.07 C 16.75 -11.31 C 17.24 -13.01 O 13.45 -13.77 O 12.28 -11.70 C 11.09 -12.38 C 14.66 -14.45 C 14.66 -11.68 C 19.77 -13.09 C 16.99 -7.53 C 19.30 -11.78 C 15.87 -12.38 C 15.87 -13.76 C 16.75 -14.81 30 1 -2 31 2 -1 3 22 1 4 24 1 5 28 1 6 28 1 29 7 -1 8 24 2 9 25 2 27 10 -1 11 28 1 32 12 -1 13 14 1 13 15 2 14 26 2 15 28 1 16 18 1 16 27 1 17 23 1 17 26 1 18 32 1 19 20 1 19 29 1 20 30 1 21 29 1 21 32 1 22 25 1 23 24 1 25 31 1 26 30 1 27 29 1 30 31 1 31 32 1', '32 33 H 15.87 -11.39 H 15.87 -14.80 C:52 12.28 -14.45 C:21 9.92 -11.70 C:30 16.98 -6.16 C:30 18.18 -8.21 C:30 20.34 -10.84 O 11.08 -13.73 O 14.66 -15.79 O 21.18 -13.08 O 18.18 -6.79 O 16.38 -16.16 C:121 15.84 -9.59 C:130 14.66 -10.29 C:144 15.85 -8.23 C:28 19.30 -14.36 C:65 13.45 -12.38 C:28 18.10 -15.05 C:39 18.10 -11.07 C:30 16.75 -11.31 C:45 17.24 -13.01 O 13.45 -13.77 O 12.28 -11.70 C:171 11.09 -12.38 C:173 14.66 -14.45 C:142 14.66 -11.68 C:74 19.77 -13.09 C:71 16.99 -7.53 C:37 19.30 -11.78 C:40 15.87 -12.38 C:61 15.87 -13.76 C:74 16.75 -14.81 30 1 -2 31 2 -1 3 22 1 4 24 1 5 28 1 6 28 1 29 7 -1 8 24 2 9 25 2 27 10 -1 11 28 1 32 12 -1 13 14 1 13 15 2 14 26 2 15 28 1 16 18 1 16 27 1 17 23 1 17 26 1 18 32 1 19 20 1 19 29 1 20 30 1 21 29 1 21 32 1 22 25 1 23 24 1 25 31 1 26 30 1 27 29 1 30 31 1 31 32 1', 'C23H36O7', 424.258, 'C', 'np05_1336_8', 574, '', '', '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
(1649, 'Florlide B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O)([CH2:9][CH2:8][C@@H:7]1O)[C@:2]2([H])[C:18](=O)O[CH2:17][C:10]3=[CH:11][CH:12]=[CH:13][CH:14]([CH3:15])[CH3:16]', '[H][C@]23CC[C@@]1(C)C[C@](O)(CC[C@@H]1O)[C@]2([H])C(=O)OCC3=CC=CC(C)C', '[H][C@:38]23[CH2:36][CH2:39][C@@:38]1([CH3:31])[CH2:44][C@:73](O)([CH2:28][CH2:29][C@@H:75]1O)[C@:59]2([H])[C:177](=O)O[CH2:73][C:136]3=[CH:130][CH:123]=[CH:147][CH:33]([CH3:23])[CH3:23]', '26 28 H 14.13 -11.22 H 14.13 -14.76 C:15 16.45 -8.18 C:16 15.30 -6.15 C:20 18.63 -10.80 O 12.93 -15.71 O 19.40 -12.99 O 14.73 -16.11 C:12 14.10 -9.53 C:11 12.94 -10.23 C:13 14.10 -8.19 C:8 17.58 -14.28 C:17 11.76 -12.28 C:9 16.46 -14.92 C:5 16.38 -10.99 C:4 15.05 -11.23 C:19 15.84 -12.78 O 11.76 -13.67 C:18 12.94 -14.36 C:10 12.94 -11.59 C:14 15.28 -7.50 C:7 18.05 -12.99 C:6 17.58 -11.68 C:3 14.13 -12.28 C:2 14.13 -13.67 C:1 15.05 -14.72 24 1 -2 25 2 -1 3 21 1 4 21 1 23 5 -1 6 19 2 22 7 -1 26 8 -1 9 10 1 9 11 2 10 20 2 11 21 1 12 14 1 12 22 1 13 18 1 13 20 1 14 26 1 15 16 1 15 23 1 16 24 1 17 23 1 17 26 1 18 19 1 19 25 1 20 24 1 22 23 1 24 25 1 25 26 1', '26 28 H 14.13 -11.22 H 14.13 -14.76 C 16.45 -8.18 C 15.30 -6.15 C 18.63 -10.80 O 12.93 -15.71 O 19.40 -12.99 O 14.73 -16.11 C 14.10 -9.53 C 12.94 -10.23 C 14.10 -8.19 C 17.58 -14.28 C 11.76 -12.28 C 16.46 -14.92 C 16.38 -10.99 C 15.05 -11.23 C 15.84 -12.78 O 11.76 -13.67 C 12.94 -14.36 C 12.94 -11.59 C 15.28 -7.50 C 18.05 -12.99 C 17.58 -11.68 C 14.13 -12.28 C 14.13 -13.67 C 15.05 -14.72 24 1 -2 25 2 -1 3 21 1 4 21 1 23 5 -1 6 19 2 22 7 -1 26 8 -1 9 10 1 9 11 2 10 20 2 11 21 1 12 14 1 12 22 1 13 18 1 13 20 1 14 26 1 15 16 1 15 23 1 16 24 1 17 23 1 17 26 1 18 19 1 19 25 1 20 24 1 22 23 1 24 25 1 25 26 1', '26 28 H 14.13 -11.22 H 14.13 -14.76 C:23 16.45 -8.18 C:23 15.30 -6.15 C:31 18.63 -10.80 O 12.93 -15.71 O 19.40 -12.99 O 14.73 -16.11 C:123 14.10 -9.53 C:130 12.94 -10.23 C:147 14.10 -8.19 C:29 17.58 -14.28 C:73 11.76 -12.28 C:28 16.46 -14.92 C:39 16.38 -10.99 C:36 15.05 -11.23 C:44 15.84 -12.78 O 11.76 -13.67 C:177 12.94 -14.36 C:136 12.94 -11.59 C:33 15.28 -7.50 C:75 18.05 -12.99 C:38 17.58 -11.68 C:38 14.13 -12.28 C:59 14.13 -13.67 C:73 15.05 -14.72 24 1 -2 25 2 -1 3 21 1 4 21 1 23 5 -1 6 19 2 22 7 -1 26 8 -1 9 10 1 9 11 2 10 20 2 11 21 1 12 14 1 12 22 1 13 18 1 13 20 1 14 26 1 15 16 1 15 23 1 16 24 1 17 23 1 17 26 1 18 19 1 19 25 1 20 24 1 22 23 1 24 25 1 25 26 1', 'C20H30O4', 334.227, 'M', 'np98_1513_2', 980, '', '', '1', 1, NULL, NULL),
(1650, 'Florether A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O)([CH2:9][CH2:8][C@@H:7]1O)[C@:2]2([H])[CH2:18]O[C@@:10]3([CH:11]=[CH:12][CH:13]=[C:14]([CH3:16])[CH3:15])[CH2:17]O', '[H][C@]23CC[C@@]1(C)C[C@](O)(CC[C@@H]1O)[C@]2([H])CO[C@@]3(C=CC=C(C)C)CO', '[H][C@:52]23[CH2:25][CH2:39][C@@:40]1([CH3:32])[CH2:46][C@:73](O)([CH2:29][CH2:27][C@@H:75]1O)[C@:59]2([H])[CH2:69]O[C@@:88]3([CH:126]=[CH:126][CH:134]=[C:136]([CH3:18])[CH3:26])[CH2:65]O', '26 28 H 14.79 -11.24 H 14.79 -14.58 C:16 15.93 -6.37 C:15 17.10 -8.45 C:20 19.29 -10.82 O 11.10 -11.77 O 20.06 -12.98 O 14.96 -15.88 C:12 14.68 -9.81 C:13 14.69 -8.43 C:11 13.47 -10.50 C:17 12.32 -11.14 C:8 18.24 -14.31 C:9 17.05 -15.00 C:5 17.05 -11.02 C:4 15.68 -11.26 C:18 13.48 -14.11 C:19 16.52 -12.88 O 12.66 -12.99 C:14 15.90 -7.74 C:7 18.72 -12.99 C:6 18.24 -11.69 C:3 14.79 -12.32 C:2 14.79 -13.69 C:1 15.68 -14.74 C:10 13.48 -11.87 23 1 -2 24 2 -1 3 20 1 4 20 1 22 5 -1 6 12 1 21 7 -1 25 8 -1 9 10 1 9 11 2 10 20 2 11 26 1 26 12 -1 13 14 1 13 21 1 14 25 1 15 16 1 15 22 1 16 23 1 17 19 1 17 24 1 18 22 1 18 25 1 19 26 1 21 22 1 23 24 1 23 26 1 24 25 1', '26 28 H 14.79 -11.24 H 14.79 -14.58 C 15.93 -6.37 C 17.10 -8.45 C 19.29 -10.82 O 11.10 -11.77 O 20.06 -12.98 O 14.96 -15.88 C 14.68 -9.81 C 14.69 -8.43 C 13.47 -10.50 C 12.32 -11.14 C 18.24 -14.31 C 17.05 -15.00 C 17.05 -11.02 C 15.68 -11.26 C 13.48 -14.11 C 16.52 -12.88 O 12.66 -12.99 C 15.90 -7.74 C 18.72 -12.99 C 18.24 -11.69 C 14.79 -12.32 C 14.79 -13.69 C 15.68 -14.74 C 13.48 -11.87 23 1 -2 24 2 -1 3 20 1 4 20 1 22 5 -1 6 12 1 21 7 -1 25 8 -1 9 10 1 9 11 2 10 20 2 11 26 1 26 12 -1 13 14 1 13 21 1 14 25 1 15 16 1 15 22 1 16 23 1 17 19 1 17 24 1 18 22 1 18 25 1 19 26 1 21 22 1 23 24 1 23 26 1 24 25 1', '26 28 H 14.79 -11.24 H 14.79 -14.58 C:18 15.93 -6.37 C:26 17.10 -8.45 C:32 19.29 -10.82 O 11.10 -11.77 O 20.06 -12.98 O 14.96 -15.88 C:126 14.68 -9.81 C:134 14.69 -8.43 C:126 13.47 -10.50 C:65 12.32 -11.14 C:27 18.24 -14.31 C:29 17.05 -15.00 C:39 17.05 -11.02 C:25 15.68 -11.26 C:69 13.48 -14.11 C:46 16.52 -12.88 O 12.66 -12.99 C:136 15.90 -7.74 C:75 18.72 -12.99 C:40 18.24 -11.69 C:52 14.79 -12.32 C:59 14.79 -13.69 C:73 15.68 -14.74 C:88 13.48 -11.87 23 1 -2 24 2 -1 3 20 1 4 20 1 22 5 -1 6 12 1 21 7 -1 25 8 -1 9 10 1 9 11 2 10 20 2 11 26 1 26 12 -1 13 14 1 13 21 1 14 25 1 15 16 1 15 22 1 16 23 1 17 19 1 17 24 1 18 22 1 18 25 1 19 26 1 21 22 1 23 24 1 23 26 1 24 25 1', 'C20H32O4', 336.227, 'M', 'np98_1513_3', 980, '', '', '1', 1, NULL, NULL),
(1651, 'Florether B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O)([CH2:9][CH2:8][C@@H:7]1O)[C@:2]2([H])[CH2:18]O[C@:10]3([CH:11]=[CH:12][CH:13]=[C:14]([CH3:16])[CH3:15])[CH2:17]O', '[H][C@]23CC[C@@]1(C)C[C@](O)(CC[C@@H]1O)[C@]2([H])CO[C@]3(C=CC=C(C)C)CO', '[H][C@:45]23[CH2:26][CH2:39][C@@:39]1([CH3:32])[CH2:46][C@:73](O)([CH2:29][CH2:27][C@@H:75]1O)[C@:57]2([H])[CH2:69]O[C@:90]3([CH:126]=[CH:129][CH:130]=[C:136]([CH3:26])[CH3:18])[CH2:66]O', '26 28 H 14.77 -11.27 H 14.77 -14.63 C:16 15.88 -6.41 C:15 17.08 -8.49 C:20 19.27 -10.85 O 11.07 -11.80 O 20.03 -13.01 O 14.94 -15.93 C:12 14.66 -9.83 C:13 14.66 -8.47 C:11 13.45 -10.53 C:17 12.29 -11.17 C:8 18.22 -14.36 C:9 17.03 -15.05 C:5 17.03 -11.05 C:4 15.66 -11.29 C:18 13.44 -14.16 C:19 16.60 -12.81 O 12.64 -13.02 C:14 15.88 -7.77 C:7 18.70 -13.02 C:6 18.22 -11.72 C:3 14.77 -12.35 C:2 14.77 -13.72 C:1 15.66 -14.79 C:10 13.44 -11.90 23 1 -2 24 2 -1 3 20 1 4 20 1 22 5 -1 6 12 1 21 7 -1 25 8 -1 9 10 1 9 11 2 10 20 2 11 26 1 26 12 -2 13 14 1 13 21 1 14 25 1 15 16 1 15 22 1 16 23 1 17 19 1 17 24 1 18 22 1 18 25 1 19 26 1 21 22 1 23 24 1 23 26 1 24 25 1', '26 28 H 14.77 -11.27 H 14.77 -14.63 C 15.88 -6.41 C 17.08 -8.49 C 19.27 -10.85 O 11.07 -11.80 O 20.03 -13.01 O 14.94 -15.93 C 14.66 -9.83 C 14.66 -8.47 C 13.45 -10.53 C 12.29 -11.17 C 18.22 -14.36 C 17.03 -15.05 C 17.03 -11.05 C 15.66 -11.29 C 13.44 -14.16 C 16.60 -12.81 O 12.64 -13.02 C 15.88 -7.77 C 18.70 -13.02 C 18.22 -11.72 C 14.77 -12.35 C 14.77 -13.72 C 15.66 -14.79 C 13.44 -11.90 23 1 -2 24 2 -1 3 20 1 4 20 1 22 5 -1 6 12 1 21 7 -1 25 8 -1 9 10 1 9 11 2 10 20 2 11 26 1 26 12 -2 13 14 1 13 21 1 14 25 1 15 16 1 15 22 1 16 23 1 17 19 1 17 24 1 18 22 1 18 25 1 19 26 1 21 22 1 23 24 1 23 26 1 24 25 1', '26 28 H 14.77 -11.27 H 14.77 -14.63 C:26 15.88 -6.41 C:18 17.08 -8.49 C:32 19.27 -10.85 O 11.07 -11.80 O 20.03 -13.01 O 14.94 -15.93 C:129 14.66 -9.83 C:130 14.66 -8.47 C:126 13.45 -10.53 C:66 12.29 -11.17 C:27 18.22 -14.36 C:29 17.03 -15.05 C:39 17.03 -11.05 C:26 15.66 -11.29 C:69 13.44 -14.16 C:46 16.60 -12.81 O 12.64 -13.02 C:136 15.88 -7.77 C:75 18.70 -13.02 C:39 18.22 -11.72 C:45 14.77 -12.35 C:57 14.77 -13.72 C:73 15.66 -14.79 C:90 13.44 -11.90 23 1 -2 24 2 -1 3 20 1 4 20 1 22 5 -1 6 12 1 21 7 -1 25 8 -1 9 10 1 9 11 2 10 20 2 11 26 1 26 12 -2 13 14 1 13 21 1 14 25 1 15 16 1 15 22 1 16 23 1 17 19 1 17 24 1 18 22 1 18 25 1 19 26 1 21 22 1 23 24 1 23 26 1 24 25 1', 'C20H32O4', 336.227, 'M', 'np98_1513_4', 980, '', '', '1', 1, NULL, NULL),
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