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
(14715, '', '18-Nor-1β,4α,14-trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:14](O)[c:13](O[CH3:13001])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:19])O', '[H][C@@]23CC(=O)c1c(O)c(OC)ccc1[C@@]2(C)[C@H](O)CC[C@@]3(C)O', '[H][C@@:50]23[CH2:35][C:206](=O)[c:116]1[c:153](O)[c:147](O[CH3:56])[cH:118][cH:116][c:146]1[C@@:43]2([CH3:16])[C@H:76](O)[CH2:31][CH2:40][C@@:71]3([CH3:23])O', '23 25 H 15.43 -13.55 C:13001 21.57 -9.10 C:19 13.15 -14.31 C:20 15.43 -9.78 O 19.13 -13.33 O 20.36 -11.22 O 14.18 -9.10 O 15.17 -14.41 C:12 17.92 -8.39 C:11 16.67 -9.10 C:2 12.96 -11.22 C:3 12.96 -12.64 C:6 16.67 -13.33 O 20.36 -8.39 C:7 17.92 -12.64 C:14 19.13 -10.49 C:13 19.13 -9.10 C:9 16.67 -10.49 C:8 17.92 -11.22 C:1 14.18 -10.49 C:4 14.18 -13.33 C:5 15.43 -12.64 C:10 15.43 -11.22 22 1 -2 2 14 1 21 3 -1 23 4 -1 5 15 2 6 16 1 20 7 -1 21 8 -2 9 10 2 9 17 1 10 18 1 11 12 1 11 20 1 12 21 1 13 15 1 13 22 1 14 17 1 15 19 1 16 17 2 16 19 1 18 19 2 18 23 1 20 23 1 21 22 1 22 23 1', '23 25 H 15.43 -13.55 C 21.57 -9.10 C 13.15 -14.31 C 15.43 -9.78 O 19.13 -13.33 O 20.36 -11.22 O 14.18 -9.10 O 15.17 -14.41 C 17.92 -8.39 C 16.67 -9.10 C 12.96 -11.22 C 12.96 -12.64 C 16.67 -13.33 O 20.36 -8.39 C 17.92 -12.64 C 19.13 -10.49 C 19.13 -9.10 C 16.67 -10.49 C 17.92 -11.22 C 14.18 -10.49 C 14.18 -13.33 C 15.43 -12.64 C 15.43 -11.22 22 1 -2 2 14 1 21 3 -1 23 4 -1 5 15 2 6 16 1 20 7 -1 21 8 -2 9 10 2 9 17 1 10 18 1 11 12 1 11 20 1 12 21 1 13 15 1 13 22 1 14 17 1 15 19 1 16 17 2 16 19 1 18 19 2 18 23 1 20 23 1 21 22 1 22 23 1', '23 25 H 15.43 -13.55 C:56 21.57 -9.10 C:23 13.15 -14.31 C:16 15.43 -9.78 O 19.13 -13.33 O 20.36 -11.22 O 14.18 -9.10 O 15.17 -14.41 C:118 17.92 -8.39 C:116 16.67 -9.10 C:31 12.96 -11.22 C:40 12.96 -12.64 C:35 16.67 -13.33 O 20.36 -8.39 C:206 17.92 -12.64 C:153 19.13 -10.49 C:147 19.13 -9.10 C:146 16.67 -10.49 C:116 17.92 -11.22 C:76 14.18 -10.49 C:71 14.18 -13.33 C:50 15.43 -12.64 C:43 15.43 -11.22 22 1 -2 2 14 1 21 3 -1 23 4 -1 5 15 2 6 16 1 20 7 -1 21 8 -2 9 10 2 9 17 1 10 18 1 11 12 1 11 20 1 12 21 1 13 15 1 13 22 1 14 17 1 15 19 1 16 17 2 16 19 1 18 19 2 18 23 1 20 23 1 21 22 1 22 23 1', 'C17H22O5', 306.187, 'C', 'ph08_2336_3', 3755, '', '', '1', 1, NULL, NULL),
(14716, '', '1β,14,19-Trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:14](O)[c:13](O[CH3:13001])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@:4]3([CH3:18])[CH2:19]O', '[H][C@@]23CC(=O)c1c(O)c(OC)ccc1[C@@]2(C)[C@H](O)CC[C@]3(C)CO', '[H][C@@:49]23[CH2:36][C:206](=O)[c:115]1[c:153](O)[c:147](O[CH3:56])[cH:118][cH:116][c:147]1[C@@:44]2([CH3:18])[C@H:77](O)[CH2:30][CH2:33][C@:38]3([CH3:26])[CH2:65]O', '24 26 H 15.43 -12.93 C:13001 21.57 -8.48 C:18 15.17 -13.79 C:20 15.43 -9.16 O 19.13 -12.71 O 13.46 -15.06 O 20.36 -10.60 O 14.18 -8.48 C:12 17.92 -7.77 C:11 16.67 -8.48 C:19 13.15 -13.69 C:2 12.96 -10.60 C:3 12.96 -12.02 C:6 16.67 -12.71 O 20.36 -7.77 C:7 17.92 -12.02 C:14 19.13 -9.87 C:13 19.13 -8.48 C:9 16.67 -9.87 C:8 17.92 -10.60 C:1 14.18 -9.87 C:4 14.18 -12.71 C:5 15.43 -12.02 C:10 15.43 -10.60 23 1 -2 2 15 1 22 3 -2 24 4 -1 5 16 2 6 11 1 7 17 1 21 8 -1 9 10 2 9 18 1 10 19 1 22 11 -1 12 13 1 12 21 1 13 22 1 14 16 1 14 23 1 15 18 1 16 20 1 17 18 2 17 20 1 19 20 2 19 24 1 21 24 1 22 23 1 23 24 1', '24 26 H 15.43 -12.93 C 21.57 -8.48 C 15.17 -13.79 C 15.43 -9.16 O 19.13 -12.71 O 13.46 -15.06 O 20.36 -10.60 O 14.18 -8.48 C 17.92 -7.77 C 16.67 -8.48 C 13.15 -13.69 C 12.96 -10.60 C 12.96 -12.02 C 16.67 -12.71 O 20.36 -7.77 C 17.92 -12.02 C 19.13 -9.87 C 19.13 -8.48 C 16.67 -9.87 C 17.92 -10.60 C 14.18 -9.87 C 14.18 -12.71 C 15.43 -12.02 C 15.43 -10.60 23 1 -2 2 15 1 22 3 -2 24 4 -1 5 16 2 6 11 1 7 17 1 21 8 -1 9 10 2 9 18 1 10 19 1 22 11 -1 12 13 1 12 21 1 13 22 1 14 16 1 14 23 1 15 18 1 16 20 1 17 18 2 17 20 1 19 20 2 19 24 1 21 24 1 22 23 1 23 24 1', '24 26 H 15.43 -12.93 C:56 21.57 -8.48 C:26 15.17 -13.79 C:18 15.43 -9.16 O 19.13 -12.71 O 13.46 -15.06 O 20.36 -10.60 O 14.18 -8.48 C:118 17.92 -7.77 C:116 16.67 -8.48 C:65 13.15 -13.69 C:30 12.96 -10.60 C:33 12.96 -12.02 C:36 16.67 -12.71 O 20.36 -7.77 C:206 17.92 -12.02 C:153 19.13 -9.87 C:147 19.13 -8.48 C:147 16.67 -9.87 C:115 17.92 -10.60 C:77 14.18 -9.87 C:38 14.18 -12.71 C:49 15.43 -12.02 C:44 15.43 -10.60 23 1 -2 2 15 1 22 3 -2 24 4 -1 5 16 2 6 11 1 7 17 1 21 8 -1 9 10 2 9 18 1 10 19 1 22 11 -1 12 13 1 12 21 1 13 22 1 14 16 1 14 23 1 15 18 1 16 20 1 17 18 2 17 20 1 19 20 2 19 24 1 21 24 1 22 23 1 23 24 1', 'C18H24O5', 320.198, 'C', 'ph08_2336_4', 3755, '', '', '1', 1, NULL, NULL),
(14717, '', '1β,13,14,18-Tetrahydroxy-8,11,13-podocarpatrien-7-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:14](O)[c:13](O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O', '[H][C@@]23CC(=O)c1c(O)c(O)ccc1[C@@]2(C)[C@H](O)CC[C@@]3(C)CO', '[H][C@@:42]23[CH2:35][C:206](=O)[c:115]1[c:149](O)[c:143](O)[cH:121][cH:117][c:147]1[C@@:43]2([CH3:17])[C@H:76](O)[CH2:29][CH2:33][C@@:38]3([CH3:17])[CH2:70]O', '23 25 H 15.99 -12.93 C:19 13.71 -13.69 C:20 15.99 -9.17 O 19.71 -12.71 O 15.31 -15.12 O 20.94 -7.78 O 20.94 -10.60 O 14.74 -8.49 C:12 18.49 -7.78 C:11 17.24 -8.49 C:18 15.73 -13.79 C:2 13.52 -10.60 C:3 13.52 -12.02 C:6 17.24 -12.71 C:7 18.49 -12.02 C:13 19.71 -8.49 C:14 19.71 -9.88 C:9 17.24 -9.88 C:8 18.49 -10.60 C:1 14.74 -9.88 C:4 14.74 -12.71 C:5 15.99 -12.02 C:10 15.99 -10.60 22 1 -2 21 2 -1 23 3 -1 4 15 2 5 11 1 6 16 1 7 17 1 20 8 -1 9 10 2 9 16 1 10 18 1 21 11 -2 12 13 1 12 20 1 13 21 1 14 15 1 14 22 1 15 19 1 16 17 2 17 19 1 18 19 2 18 23 1 20 23 1 21 22 1 22 23 1', '23 25 H 15.99 -12.93 C 13.71 -13.69 C 15.99 -9.17 O 19.71 -12.71 O 15.31 -15.12 O 20.94 -7.78 O 20.94 -10.60 O 14.74 -8.49 C 18.49 -7.78 C 17.24 -8.49 C 15.73 -13.79 C 13.52 -10.60 C 13.52 -12.02 C 17.24 -12.71 C 18.49 -12.02 C 19.71 -8.49 C 19.71 -9.88 C 17.24 -9.88 C 18.49 -10.60 C 14.74 -9.88 C 14.74 -12.71 C 15.99 -12.02 C 15.99 -10.60 22 1 -2 21 2 -1 23 3 -1 4 15 2 5 11 1 6 16 1 7 17 1 20 8 -1 9 10 2 9 16 1 10 18 1 21 11 -2 12 13 1 12 20 1 13 21 1 14 15 1 14 22 1 15 19 1 16 17 2 17 19 1 18 19 2 18 23 1 20 23 1 21 22 1 22 23 1', '23 25 H 15.99 -12.93 C:17 13.71 -13.69 C:17 15.99 -9.17 O 19.71 -12.71 O 15.31 -15.12 O 20.94 -7.78 O 20.94 -10.60 O 14.74 -8.49 C:121 18.49 -7.78 C:117 17.24 -8.49 C:70 15.73 -13.79 C:29 13.52 -10.60 C:33 13.52 -12.02 C:35 17.24 -12.71 C:206 18.49 -12.02 C:143 19.71 -8.49 C:149 19.71 -9.88 C:147 17.24 -9.88 C:115 18.49 -10.60 C:76 14.74 -9.88 C:38 14.74 -12.71 C:42 15.99 -12.02 C:43 15.99 -10.60 22 1 -2 21 2 -1 23 3 -1 4 15 2 5 11 1 6 16 1 7 17 1 20 8 -1 9 10 2 9 16 1 10 18 1 21 11 -2 12 13 1 12 20 1 13 21 1 14 15 1 14 22 1 15 19 1 16 17 2 17 19 1 18 19 2 18 23 1 20 23 1 21 22 1 22 23 1', 'C17H22O5', 306.187, 'C', 'ph08_2336_5', 3755, '', '', '1', 1, NULL, NULL),
(14718, '', '18-Acetoxy-1β,13,14-trihydroxy-8,11,13-podocarpatrien-7-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:14](O)[c:13](O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O', '[H][C@@]23CC(=O)c1c(O)c(O)ccc1[C@@]2(C)[C@H](O)CC[C@@]3(C)COC(C)=O', '[H][C@@:43]23[CH2:35][C:205](=O)[c:115]1[c:149](O)[c:143](O)[cH:121][cH:117][c:146]1[C@@:43]2([CH3:18])[C@H:76](O)[CH2:29][CH2:33][C@@:37]3([CH3:17])[CH2:71]O[C:171]([CH3:21])=O', '26 28 H 15.98 -11.70 C:18002 15.83 -16.25 C:19 13.70 -12.46 C:20 15.98 -7.95 O 17.62 -14.62 O 19.71 -11.48 O 20.94 -6.56 O 20.94 -9.38 O 14.73 -7.27 C:12 18.49 -6.56 C:11 17.23 -7.27 C:2 13.51 -9.38 C:3 13.51 -10.80 C:18 15.72 -12.56 C:6 17.23 -11.48 O 15.30 -13.89 C:18001 16.25 -14.92 C:7 18.49 -10.80 C:13 19.71 -7.27 C:14 19.71 -8.66 C:9 17.23 -8.66 C:8 18.49 -9.38 C:1 14.73 -8.66 C:4 14.73 -11.48 C:5 15.98 -10.80 C:10 15.98 -9.38 25 1 -2 2 17 1 24 3 -1 26 4 -1 5 17 2 6 18 2 7 19 1 8 20 1 23 9 -1 10 11 2 10 19 1 11 21 1 12 13 1 12 23 1 13 24 1 14 16 1 24 14 -2 15 18 1 15 25 1 16 17 1 18 22 1 19 20 2 20 22 1 21 22 2 21 26 1 23 26 1 24 25 1 25 26 1', '26 28 H 15.98 -11.70 C 15.83 -16.25 C 13.70 -12.46 C 15.98 -7.95 O 17.62 -14.62 O 19.71 -11.48 O 20.94 -6.56 O 20.94 -9.38 O 14.73 -7.27 C 18.49 -6.56 C 17.23 -7.27 C 13.51 -9.38 C 13.51 -10.80 C 15.72 -12.56 C 17.23 -11.48 O 15.30 -13.89 C 16.25 -14.92 C 18.49 -10.80 C 19.71 -7.27 C 19.71 -8.66 C 17.23 -8.66 C 18.49 -9.38 C 14.73 -8.66 C 14.73 -11.48 C 15.98 -10.80 C 15.98 -9.38 25 1 -2 2 17 1 24 3 -1 26 4 -1 5 17 2 6 18 2 7 19 1 8 20 1 23 9 -1 10 11 2 10 19 1 11 21 1 12 13 1 12 23 1 13 24 1 14 16 1 24 14 -2 15 18 1 15 25 1 16 17 1 18 22 1 19 20 2 20 22 1 21 22 2 21 26 1 23 26 1 24 25 1 25 26 1', '26 28 H 15.98 -11.70 C:21 15.83 -16.25 C:17 13.70 -12.46 C:18 15.98 -7.95 O 17.62 -14.62 O 19.71 -11.48 O 20.94 -6.56 O 20.94 -9.38 O 14.73 -7.27 C:121 18.49 -6.56 C:117 17.23 -7.27 C:29 13.51 -9.38 C:33 13.51 -10.80 C:71 15.72 -12.56 C:35 17.23 -11.48 O 15.30 -13.89 C:171 16.25 -14.92 C:205 18.49 -10.80 C:143 19.71 -7.27 C:149 19.71 -8.66 C:146 17.23 -8.66 C:115 18.49 -9.38 C:76 14.73 -8.66 C:37 14.73 -11.48 C:43 15.98 -10.80 C:43 15.98 -9.38 25 1 -2 2 17 1 24 3 -1 26 4 -1 5 17 2 6 18 2 7 19 1 8 20 1 23 9 -1 10 11 2 10 19 1 11 21 1 12 13 1 12 23 1 13 24 1 14 16 1 24 14 -2 15 18 1 15 25 1 16 17 1 18 22 1 19 20 2 20 22 1 21 22 2 21 26 1 23 26 1 24 25 1 25 26 1', 'C19H24O6', 348.208, 'C', 'ph08_2336_6', 3755, '', '', '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
(14734, '', '7a-Hydroxypodocarpen-8(14)-en-13-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[C@H:7](O)[CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CCC(=O)C=C1[C@H](O)C[C@@]3([H])[C@](C)(C)CCC[C@]23C', '[H][C@:50]12[CH2:21][CH2:38][C:203](=O)[CH:128]=[C:167]1[C@H:72](O)[CH2:31][C@@:48]3([H])[C@:34]([CH3:22])([CH3:34])[CH2:43][CH2:20][CH2:40][C@:41]23[CH3:15]', '21 23 H 17.25 -11.55 H 15.99 -13.69 C:19 13.66 -14.37 C:18 15.72 -14.47 C:20 15.99 -9.81 O 20.98 -8.42 O 19.74 -13.37 C:14 19.74 -10.52 C:2 13.47 -11.25 C:12 18.53 -8.42 C:3 13.47 -12.68 C:1 14.70 -10.52 C:11 17.25 -9.13 C:6 17.25 -13.37 C:13 19.74 -9.13 C:8 18.53 -11.25 C:7 18.53 -12.68 C:4 14.70 -13.37 C:9 17.25 -10.52 C:5 15.99 -12.68 C:10 15.99 -11.25 19 1 -2 20 2 -2 18 3 -1 18 4 -2 21 5 -1 6 15 2 17 7 -2 8 15 1 8 16 2 9 11 1 9 12 1 10 13 1 10 15 1 11 18 1 12 21 1 13 19 1 14 17 1 14 20 1 16 17 1 16 19 1 18 20 1 19 21 1 20 21 1', '21 23 H 17.25 -11.55 H 15.99 -13.69 C 13.66 -14.37 C 15.72 -14.47 C 15.99 -9.81 O 20.98 -8.42 O 19.74 -13.37 C 19.74 -10.52 C 13.47 -11.25 C 18.53 -8.42 C 13.47 -12.68 C 14.70 -10.52 C 17.25 -9.13 C 17.25 -13.37 C 19.74 -9.13 C 18.53 -11.25 C 18.53 -12.68 C 14.70 -13.37 C 17.25 -10.52 C 15.99 -12.68 C 15.99 -11.25 19 1 -2 20 2 -2 18 3 -1 18 4 -2 21 5 -1 6 15 2 17 7 -2 8 15 1 8 16 2 9 11 1 9 12 1 10 13 1 10 15 1 11 18 1 12 21 1 13 19 1 14 17 1 14 20 1 16 17 1 16 19 1 18 20 1 19 21 1 20 21 1', '21 23 H 17.25 -11.55 H 15.99 -13.69 C:22 13.66 -14.37 C:34 15.72 -14.47 C:15 15.99 -9.81 O 20.98 -8.42 O 19.74 -13.37 C:128 19.74 -10.52 C:20 13.47 -11.25 C:38 18.53 -8.42 C:43 13.47 -12.68 C:40 14.70 -10.52 C:21 17.25 -9.13 C:31 17.25 -13.37 C:203 19.74 -9.13 C:167 18.53 -11.25 C:72 18.53 -12.68 C:34 14.70 -13.37 C:50 17.25 -10.52 C:48 15.99 -12.68 C:41 15.99 -11.25 19 1 -2 20 2 -2 18 3 -1 18 4 -2 21 5 -1 6 15 2 17 7 -2 8 15 1 8 16 2 9 11 1 9 12 1 10 13 1 10 15 1 11 18 1 12 21 1 13 19 1 14 17 1 14 20 1 16 17 1 16 19 1 18 20 1 19 21 1 20 21 1', 'C17H26O2', 262.197, 'M', 'tt08_4354_15', 3756, '', '', '1', 1, NULL, NULL),
(14735, '', '17-Nor-7,15-dion-8,11,13-abietatrien-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[cH:14][c:13]([C:15]([CH3:15001])=O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[C:18](=O)O', '[H][C@@]23CC(=O)c1cc(C(C)=O)ccc1[C@@]2(C)CCC[C@@]3(C)C(=O)O', '[H][C@@:45]23[CH2:39][C:200](=O)[c:132]1[cH:129][c:137]([C:199]([CH3:24])=O)[cH:135][cH:126][c:162]1[C@@:40]2([CH3:17])[CH2:38][CH2:19][CH2:38][C@@:48]3([CH3:27])[C:181](=O)O', '24 26 H 15.42 -13.63 C:15001 21.53 -9.21 C:19 13.14 -14.39 C:20 15.42 -9.85 O 20.34 -7.07 O 16.55 -14.23 O 19.09 -13.42 O 14.73 -15.83 C:12 17.88 -8.47 C:11 16.65 -9.13 C:14 19.09 -10.57 C:2 12.95 -11.30 C:3 12.95 -12.72 C:1 14.17 -10.57 C:6 16.65 -13.42 C:15 20.34 -8.47 C:18 15.16 -14.49 C:7 17.88 -12.72 C:13 19.09 -9.13 C:8 17.88 -11.30 C:9 16.65 -10.57 C:5 15.42 -12.72 C:4 14.17 -13.42 C:10 15.42 -11.30 22 1 -2 2 16 1 23 3 -1 24 4 -1 5 16 2 6 17 2 7 18 2 8 17 1 9 10 2 9 19 1 10 21 1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 24 1 15 18 1 15 22 1 16 19 1 23 17 -2 18 20 1 20 21 2 21 24 1 22 23 1 22 24 1', '24 26 H 15.42 -13.63 C 21.53 -9.21 C 13.14 -14.39 C 15.42 -9.85 O 20.34 -7.07 O 16.55 -14.23 O 19.09 -13.42 O 14.73 -15.83 C 17.88 -8.47 C 16.65 -9.13 C 19.09 -10.57 C 12.95 -11.30 C 12.95 -12.72 C 14.17 -10.57 C 16.65 -13.42 C 20.34 -8.47 C 15.16 -14.49 C 17.88 -12.72 C 19.09 -9.13 C 17.88 -11.30 C 16.65 -10.57 C 15.42 -12.72 C 14.17 -13.42 C 15.42 -11.30 22 1 -2 2 16 1 23 3 -1 24 4 -1 5 16 2 6 17 2 7 18 2 8 17 1 9 10 2 9 19 1 10 21 1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 24 1 15 18 1 15 22 1 16 19 1 23 17 -2 18 20 1 20 21 2 21 24 1 22 23 1 22 24 1', '24 26 H 15.42 -13.63 C:24 21.53 -9.21 C:27 13.14 -14.39 C:17 15.42 -9.85 O 20.34 -7.07 O 16.55 -14.23 O 19.09 -13.42 O 14.73 -15.83 C:135 17.88 -8.47 C:126 16.65 -9.13 C:129 19.09 -10.57 C:19 12.95 -11.30 C:38 12.95 -12.72 C:38 14.17 -10.57 C:39 16.65 -13.42 C:199 20.34 -8.47 C:181 15.16 -14.49 C:200 17.88 -12.72 C:137 19.09 -9.13 C:132 17.88 -11.30 C:162 16.65 -10.57 C:45 15.42 -12.72 C:48 14.17 -13.42 C:40 15.42 -11.30 22 1 -2 2 16 1 23 3 -1 24 4 -1 5 16 2 6 17 2 7 18 2 8 17 1 9 10 2 9 19 1 10 21 1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 24 1 15 18 1 15 22 1 16 19 1 23 17 -2 18 20 1 20 21 2 21 24 1 22 23 1 22 24 1', 'C19H22O4', 314.209, 'M', 'tt08_4354_16', 3756, '', '', '1', 1, NULL, NULL),
(14736, '', '8(14)-Podocarpen-13-on-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([C:18](=O)O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CCC(=O)C=C1CC[C@@]3([H])[C@](C)(C(=O)O)CCC[C@]23C', '[H][C@:53]12[CH2:21][CH2:38][C:203](=O)[CH:126]=[C:169]1[CH2:36][CH2:25][C@@:49]3([H])[C@:48]([CH3:18])([C:184](=O)O)[CH2:38][CH2:19][CH2:40][C@:40]23[CH3:16]', '22 24 H 17.25 -10.88 H 15.99 -13.01 C:19 13.66 -13.69 C:20 15.99 -9.14 O 17.10 -13.56 O 20.97 -7.75 O 15.31 -15.13 C:14 19.74 -9.85 C:2 13.47 -10.58 C:12 18.53 -7.75 C:7 18.53 -12.00 C:3 13.47 -12.00 C:1 14.70 -9.85 C:11 17.25 -8.46 C:6 17.25 -12.69 C:18 15.72 -13.79 C:13 19.74 -8.46 C:8 18.53 -10.58 C:9 17.25 -9.85 C:5 15.99 -12.00 C:4 14.70 -12.69 C:10 15.99 -10.58 19 1 -2 20 2 -2 21 3 -1 22 4 -1 5 16 2 6 17 2 7 16 1 8 17 1 8 18 2 9 12 1 9 13 1 10 14 1 10 17 1 11 15 1 11 18 1 12 21 1 13 22 1 14 19 1 15 20 1 21 16 -2 18 19 1 19 22 1 20 21 1 20 22 1', '22 24 H 17.25 -10.88 H 15.99 -13.01 C 13.66 -13.69 C 15.99 -9.14 O 17.10 -13.56 O 20.97 -7.75 O 15.31 -15.13 C 19.74 -9.85 C 13.47 -10.58 C 18.53 -7.75 C 18.53 -12.00 C 13.47 -12.00 C 14.70 -9.85 C 17.25 -8.46 C 17.25 -12.69 C 15.72 -13.79 C 19.74 -8.46 C 18.53 -10.58 C 17.25 -9.85 C 15.99 -12.00 C 14.70 -12.69 C 15.99 -10.58 19 1 -2 20 2 -2 21 3 -1 22 4 -1 5 16 2 6 17 2 7 16 1 8 17 1 8 18 2 9 12 1 9 13 1 10 14 1 10 17 1 11 15 1 11 18 1 12 21 1 13 22 1 14 19 1 15 20 1 21 16 -2 18 19 1 19 22 1 20 21 1 20 22 1', '22 24 H 17.25 -10.88 H 15.99 -13.01 C:18 13.66 -13.69 C:16 15.99 -9.14 O 17.10 -13.56 O 20.97 -7.75 O 15.31 -15.13 C:126 19.74 -9.85 C:19 13.47 -10.58 C:38 18.53 -7.75 C:36 18.53 -12.00 C:38 13.47 -12.00 C:40 14.70 -9.85 C:21 17.25 -8.46 C:25 17.25 -12.69 C:184 15.72 -13.79 C:203 19.74 -8.46 C:169 18.53 -10.58 C:53 17.25 -9.85 C:49 15.99 -12.00 C:48 14.70 -12.69 C:40 15.99 -10.58 19 1 -2 20 2 -2 21 3 -1 22 4 -1 5 16 2 6 17 2 7 16 1 8 17 1 8 18 2 9 12 1 9 13 1 10 14 1 10 17 1 11 15 1 11 18 1 12 21 1 13 22 1 14 19 1 15 20 1 21 16 -2 18 19 1 19 22 1 20 21 1 20 22 1', 'C17H24O3', 276.196, 'M', 'tt08_4354_17', 3756, '', '', '1', 1, NULL, NULL),
(14737, '', '8(14)-Podocarpen-7,13-dion-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[C:7](=O)[CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([C:18](=O)O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CCC(=O)C=C1C(=O)C[C@@]3([H])[C@](C)(C(=O)O)CCC[C@]23C', '[H][C@:53]12[CH2:24][CH2:39][C:201](=O)[CH:130]=[C:155]1[C:203](=O)[CH2:39][C@@:45]3([H])[C@:47]([CH3:17])([C:181](=O)O)[CH2:38][CH2:19][CH2:40][C@:37]23[CH3:15]', '23 25 H 17.28 -10.84 H 16.00 -12.97 C:19 13.67 -13.65 C:20 16.00 -9.10 O 17.13 -13.52 O 21.00 -7.71 O 19.77 -12.65 O 15.32 -15.09 C:14 19.77 -9.81 C:2 13.48 -10.54 C:12 18.56 -7.71 C:3 13.48 -11.96 C:11 17.28 -8.42 C:1 14.71 -9.81 C:6 17.28 -12.65 C:18 15.73 -13.75 C:13 19.77 -8.42 C:7 18.56 -11.96 C:8 18.56 -10.54 C:9 17.28 -9.81 C:5 16.00 -11.96 C:4 14.71 -12.65 C:10 16.00 -10.54 20 1 -2 21 2 -2 22 3 -1 23 4 -1 5 16 2 6 17 2 7 18 2 8 16 1 9 17 1 9 19 2 10 12 1 10 14 1 11 13 1 11 17 1 12 22 1 13 20 1 14 23 1 15 18 1 15 21 1 22 16 -2 18 19 1 19 20 1 20 23 1 21 22 1 21 23 1', '23 25 H 17.28 -10.84 H 16.00 -12.97 C 13.67 -13.65 C 16.00 -9.10 O 17.13 -13.52 O 21.00 -7.71 O 19.77 -12.65 O 15.32 -15.09 C 19.77 -9.81 C 13.48 -10.54 C 18.56 -7.71 C 13.48 -11.96 C 17.28 -8.42 C 14.71 -9.81 C 17.28 -12.65 C 15.73 -13.75 C 19.77 -8.42 C 18.56 -11.96 C 18.56 -10.54 C 17.28 -9.81 C 16.00 -11.96 C 14.71 -12.65 C 16.00 -10.54 20 1 -2 21 2 -2 22 3 -1 23 4 -1 5 16 2 6 17 2 7 18 2 8 16 1 9 17 1 9 19 2 10 12 1 10 14 1 11 13 1 11 17 1 12 22 1 13 20 1 14 23 1 15 18 1 15 21 1 22 16 -2 18 19 1 19 20 1 20 23 1 21 22 1 21 23 1', '23 25 H 17.28 -10.84 H 16.00 -12.97 C:17 13.67 -13.65 C:15 16.00 -9.10 O 17.13 -13.52 O 21.00 -7.71 O 19.77 -12.65 O 15.32 -15.09 C:130 19.77 -9.81 C:19 13.48 -10.54 C:39 18.56 -7.71 C:38 13.48 -11.96 C:24 17.28 -8.42 C:40 14.71 -9.81 C:39 17.28 -12.65 C:181 15.73 -13.75 C:201 19.77 -8.42 C:203 18.56 -11.96 C:155 18.56 -10.54 C:53 17.28 -9.81 C:45 16.00 -11.96 C:47 14.71 -12.65 C:37 16.00 -10.54 20 1 -2 21 2 -2 22 3 -1 23 4 -1 5 16 2 6 17 2 7 18 2 8 16 1 9 17 1 9 19 2 10 12 1 10 14 1 11 13 1 11 17 1 12 22 1 13 20 1 14 23 1 15 18 1 15 21 1 22 16 -2 18 19 1 19 20 1 20 23 1 21 22 1 21 23 1', 'C17H22O4', 290.195, 'M', 'tt08_4354_18', 3756, '', '', '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
(14753, 'Lemnalosides A', '', 'Terpenoids', 'Diterpenoids', 'Serrulatanes', '[H][C@@:4]2([C@H:11]([CH3:18])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:3][CH2:2][C@:1]([CH3:20])(O[C@@H:101]1O[C@H:105]([CH2:106]O[C:106001]([CH3:106002])=O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@@:9]3([H])[CH2:8][CH2:7][C:6]([CH3:19])=[CH:5][C@@:10]23[H]', '[H][C@@]2([C@H](C)CCC=C(C)C)CC[C@](C)(O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]3([H])CCC(C)=C[C@@]23[H]', '[H][C@@:42]2([C@H:32]([CH3:14])[CH2:36][CH2:27][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:18][CH2:33][C@:81]([CH3:24])(O[C@@H:97]1O[C@H:72]([CH2:63]O[C:171]([CH3:21])=O)[C@@H:69](O)[C@H:74](O)[C@H:72]1O)[C@@:45]3([H])[CH2:22][CH2:31][C:135]([CH3:24])=[CH:125][C@@:37]23[H]', '38 40 H 18.12 -11.99 H 20.29 -11.79 H 20.29 -8.32 C:16 20.29 -17.97 C:17 17.79 -17.97 C:106002 10.53 -11.07 C:19 24.01 -11.48 C:18 20.29 -13.66 C:20 19.75 -7.38 O 12.63 -12.28 O 14.06 -4.92 O 12.63 -7.38 O 16.91 -4.92 C:14 19.04 -15.81 C:5 21.53 -11.48 C:13 17.79 -15.10 C:7 22.78 -9.34 C:12 17.79 -13.66 C:8 21.53 -8.61 C:3 17.79 -10.77 C:2 17.79 -9.34 C:106 14.06 -9.86 O 12.63 -9.86 O 16.19 -8.61 O 18.33 -7.38 C:15 19.04 -17.25 C:106001 11.93 -11.07 C:6 22.78 -10.77 C:11 19.04 -12.92 C:103 14.77 -6.15 C:104 14.06 -7.38 C:102 16.19 -6.15 C:105 14.77 -8.61 C:101 16.91 -7.38 C:4 19.04 -11.48 C:10 20.29 -10.77 C:1 19.04 -8.61 C:9 20.29 -9.34 35 1 -1 36 2 -2 38 3 -2 4 26 1 5 26 1 6 27 1 7 28 1 29 8 -2 37 9 -1 10 27 2 30 11 -2 31 12 -1 32 13 -1 14 16 1 14 26 2 15 28 2 15 36 1 16 18 1 17 19 1 17 28 1 18 29 1 19 38 1 20 21 1 20 35 1 21 37 1 22 23 1 33 22 -2 23 27 1 24 33 1 24 34 1 34 25 -2 37 25 -2 29 35 1 30 31 1 30 32 1 31 33 1 32 34 1 35 36 1 36 38 1 37 38 1', '38 40 H 18.12 -11.99 H 20.29 -11.79 H 20.29 -8.32 C 20.29 -17.97 C 17.79 -17.97 C 10.53 -11.07 C 24.01 -11.48 C 20.29 -13.66 C 19.75 -7.38 O 12.63 -12.28 O 14.06 -4.92 O 12.63 -7.38 O 16.91 -4.92 C 19.04 -15.81 C 21.53 -11.48 C 17.79 -15.10 C 22.78 -9.34 C 17.79 -13.66 C 21.53 -8.61 C 17.79 -10.77 C 17.79 -9.34 C 14.06 -9.86 O 12.63 -9.86 O 16.19 -8.61 O 18.33 -7.38 C 19.04 -17.25 C 11.93 -11.07 C 22.78 -10.77 C 19.04 -12.92 C 14.77 -6.15 C 14.06 -7.38 C 16.19 -6.15 C 14.77 -8.61 C 16.91 -7.38 C 19.04 -11.48 C 20.29 -10.77 C 19.04 -8.61 C 20.29 -9.34 35 1 -1 36 2 -2 38 3 -2 4 26 1 5 26 1 6 27 1 7 28 1 29 8 -2 37 9 -1 10 27 2 30 11 -2 31 12 -1 32 13 -1 14 16 1 14 26 2 15 28 2 15 36 1 16 18 1 17 19 1 17 28 1 18 29 1 19 38 1 20 21 1 20 35 1 21 37 1 22 23 1 33 22 -2 23 27 1 24 33 1 24 34 1 34 25 -2 37 25 -2 29 35 1 30 31 1 30 32 1 31 33 1 32 34 1 35 36 1 36 38 1 37 38 1', '38 40 H 18.12 -11.99 H 20.29 -11.79 H 20.29 -8.32 C:26 20.29 -17.97 C:18 17.79 -17.97 C:21 10.53 -11.07 C:24 24.01 -11.48 C:14 20.29 -13.66 C:24 19.75 -7.38 O 12.63 -12.28 O 14.06 -4.92 O 12.63 -7.38 O 16.91 -4.92 C:125 19.04 -15.81 C:125 21.53 -11.48 C:27 17.79 -15.10 C:31 22.78 -9.34 C:36 17.79 -13.66 C:22 21.53 -8.61 C:18 17.79 -10.77 C:33 17.79 -9.34 C:63 14.06 -9.86 O 12.63 -9.86 O 16.19 -8.61 O 18.33 -7.38 C:131 19.04 -17.25 C:171 11.93 -11.07 C:135 22.78 -10.77 C:32 19.04 -12.92 C:74 14.77 -6.15 C:69 14.06 -7.38 C:72 16.19 -6.15 C:72 14.77 -8.61 C:97 16.91 -7.38 C:42 19.04 -11.48 C:37 20.29 -10.77 C:81 19.04 -8.61 C:45 20.29 -9.34 35 1 -1 36 2 -2 38 3 -2 4 26 1 5 26 1 6 27 1 7 28 1 29 8 -2 37 9 -1 10 27 2 30 11 -2 31 12 -1 32 13 -1 14 16 1 14 26 2 15 28 2 15 36 1 16 18 1 17 19 1 17 28 1 18 29 1 19 38 1 20 21 1 20 35 1 21 37 1 22 23 1 33 22 -2 23 27 1 24 33 1 24 34 1 34 25 -2 37 25 -2 29 35 1 30 31 1 30 32 1 31 33 1 32 34 1 35 36 1 36 38 1 37 38 1', 'C28H46O7', 494.319, 'C', 'np07_901_1', 3760, '', '', '1', 1, NULL, NULL),
(14754, '', 'Biflora-4,9,15-triene', 'Terpenoids', 'Diterpenoids', 'Serrulatanes', '[H][C@:9]12[CH2:8][CH2:7][C:6]([CH3:19])=[CH:5][C@@:10]1([H])[C@:4]([H])([C@H:11]([CH3:18])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:3][CH:2]=[C:1]2[CH3:20]', '[H][C@]12CCC(C)=C[C@@]1([H])[C@]([H])([C@H](C)CCC=C(C)C)CC=C2C', '[H][C@:40]12[CH2:25][CH2:31][C:135]([CH3:24])=[CH:124][C@@:37]1([H])[C@:39]([H])([C@H:32]([CH3:14])[CH2:36][CH2:26][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:25][CH:122]=[C:137]2[CH3:22]', '23 24 H 16.64 -7.14 H 16.64 -10.64 H 14.44 -10.85 C:16 16.64 -16.87 C:17 14.12 -16.87 C:19 20.40 -10.33 C:20 15.38 -5.99 C:18 16.64 -12.52 C:14 15.38 -14.69 C:2 14.12 -8.16 C:5 17.89 -10.33 C:13 14.12 -13.97 C:7 19.15 -8.16 C:3 14.12 -9.62 C:12 14.12 -12.52 C:8 17.89 -7.43 C:15 15.38 -16.14 C:6 19.15 -9.62 C:1 15.38 -7.43 C:11 15.38 -11.79 C:9 16.64 -8.16 C:10 16.64 -9.62 C:4 15.38 -10.33 21 1 -2 22 2 -2 23 3 -1 4 17 1 5 17 1 6 18 1 7 19 1 20 8 -2 9 12 1 9 17 2 10 14 1 10 19 2 11 18 2 11 22 1 12 15 1 13 16 1 13 18 1 14 23 1 15 20 1 16 21 1 19 21 1 20 23 1 21 22 1 22 23 1', '23 24 H 16.64 -7.14 H 16.64 -10.64 H 14.44 -10.85 C 16.64 -16.87 C 14.12 -16.87 C 20.40 -10.33 C 15.38 -5.99 C 16.64 -12.52 C 15.38 -14.69 C 14.12 -8.16 C 17.89 -10.33 C 14.12 -13.97 C 19.15 -8.16 C 14.12 -9.62 C 14.12 -12.52 C 17.89 -7.43 C 15.38 -16.14 C 19.15 -9.62 C 15.38 -7.43 C 15.38 -11.79 C 16.64 -8.16 C 16.64 -9.62 C 15.38 -10.33 21 1 -2 22 2 -2 23 3 -1 4 17 1 5 17 1 6 18 1 7 19 1 20 8 -2 9 12 1 9 17 2 10 14 1 10 19 2 11 18 2 11 22 1 12 15 1 13 16 1 13 18 1 14 23 1 15 20 1 16 21 1 19 21 1 20 23 1 21 22 1 22 23 1', '23 24 H 16.64 -7.14 H 16.64 -10.64 H 14.44 -10.85 C:26 16.64 -16.87 C:18 14.12 -16.87 C:24 20.40 -10.33 C:22 15.38 -5.99 C:14 16.64 -12.52 C:125 15.38 -14.69 C:122 14.12 -8.16 C:124 17.89 -10.33 C:26 14.12 -13.97 C:31 19.15 -8.16 C:25 14.12 -9.62 C:36 14.12 -12.52 C:25 17.89 -7.43 C:131 15.38 -16.14 C:135 19.15 -9.62 C:137 15.38 -7.43 C:32 15.38 -11.79 C:40 16.64 -8.16 C:37 16.64 -9.62 C:39 15.38 -10.33 21 1 -2 22 2 -2 23 3 -1 4 17 1 5 17 1 6 18 1 7 19 1 20 8 -2 9 12 1 9 17 2 10 14 1 10 19 2 11 18 2 11 22 1 12 15 1 13 16 1 13 18 1 14 23 1 15 20 1 16 21 1 19 21 1 20 23 1 21 22 1 22 23 1', 'C20H32', 272.238, 'C', 'np07_901_a', 3760, '', '', '1', 1, NULL, NULL),
(14755, 'Dictyontin D methyl ethera', '', 'Terpenoids', 'Diterpenoids', 'Serrulatanes', '[H][C@@:10]12[CH:5]=[C:6]([CH3:19])[CH2:7][CH2:8][C@:9]1([H])[C@@:1]([CH3:20])(O[CH3:1001])[CH2:2][CH2:3][C@@:4]2([H])[C@H:11]([CH3:18])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:17])[CH3:16]', '[H][C@@]12C=C(C)CC[C@]1([H])[C@@](C)(OC)CC[C@@]2([H])[C@H](C)CCC=C(C)C', '[H][C@@:34]12[CH:125]=[C:133]([CH3:24])[CH2:32][CH2:21][C@:42]1([H])[C@@:76]([CH3:23])(O[CH3:48])[CH2:32][CH2:20][C@@:42]2([H])[C@H:32]([CH3:14])[CH2:36][CH2:26][CH:125]=[C:131]([CH3:18])[CH3:26]', '25 26 H 16.61 -11.10 H 14.40 -11.31 H 16.61 -7.60 C:1001 15.34 -5.46 C:17 14.08 -17.34 C:16 16.61 -17.34 C:19 20.37 -10.79 C:18 16.61 -12.98 C:20 16.04 -6.68 C:14 15.34 -15.16 C:5 17.86 -10.79 C:13 14.08 -14.44 C:7 19.12 -8.62 C:12 14.08 -12.98 C:8 17.86 -7.89 C:2 14.08 -8.62 C:3 14.08 -10.08 O 14.64 -6.68 C:15 15.34 -16.61 C:6 19.12 -10.08 C:11 15.34 -12.25 C:10 16.61 -10.08 C:1 15.34 -7.89 C:4 15.34 -10.79 C:9 16.61 -8.62 22 1 -2 24 2 -1 25 3 -2 4 18 1 5 19 1 6 19 1 7 20 1 21 8 -2 23 9 -1 10 12 1 10 19 2 11 20 2 11 22 1 12 14 1 13 15 1 13 20 1 14 21 1 15 25 1 16 17 1 16 23 1 17 24 1 23 18 -2 21 24 1 22 24 1 22 25 1 23 25 1', '25 26 H 16.61 -11.10 H 14.40 -11.31 H 16.61 -7.60 C 15.34 -5.46 C 14.08 -17.34 C 16.61 -17.34 C 20.37 -10.79 C 16.61 -12.98 C 16.04 -6.68 C 15.34 -15.16 C 17.86 -10.79 C 14.08 -14.44 C 19.12 -8.62 C 14.08 -12.98 C 17.86 -7.89 C 14.08 -8.62 C 14.08 -10.08 O 14.64 -6.68 C 15.34 -16.61 C 19.12 -10.08 C 15.34 -12.25 C 16.61 -10.08 C 15.34 -7.89 C 15.34 -10.79 C 16.61 -8.62 22 1 -2 24 2 -1 25 3 -2 4 18 1 5 19 1 6 19 1 7 20 1 21 8 -2 23 9 -1 10 12 1 10 19 2 11 20 2 11 22 1 12 14 1 13 15 1 13 20 1 14 21 1 15 25 1 16 17 1 16 23 1 17 24 1 23 18 -2 21 24 1 22 24 1 22 25 1 23 25 1', '25 26 H 16.61 -11.10 H 14.40 -11.31 H 16.61 -7.60 C:48 15.34 -5.46 C:18 14.08 -17.34 C:26 16.61 -17.34 C:24 20.37 -10.79 C:14 16.61 -12.98 C:23 16.04 -6.68 C:125 15.34 -15.16 C:125 17.86 -10.79 C:26 14.08 -14.44 C:32 19.12 -8.62 C:36 14.08 -12.98 C:21 17.86 -7.89 C:32 14.08 -8.62 C:20 14.08 -10.08 O 14.64 -6.68 C:131 15.34 -16.61 C:133 19.12 -10.08 C:32 15.34 -12.25 C:34 16.61 -10.08 C:76 15.34 -7.89 C:42 15.34 -10.79 C:42 16.61 -8.62 22 1 -2 24 2 -1 25 3 -2 4 18 1 5 19 1 6 19 1 7 20 1 21 8 -2 23 9 -1 10 12 1 10 19 2 11 20 2 11 22 1 12 14 1 13 15 1 13 20 1 14 21 1 15 25 1 16 17 1 16 23 1 17 24 1 23 18 -2 21 24 1 22 24 1 22 25 1 23 25 1', 'C21H36O', 304.248, 'C', 'np07_901_b', 3760, '', '', '1', 1, NULL, NULL),
(14756, 'Lemnalosides B', '', 'Terpenoids', 'Diterpenoids', 'Serrulatanes', '[H][C@@:4]2([C@H:11]([CH3:18])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:17])[CH3:16])[CH2:3][CH2:2][C@:1]([CH3:20])(O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O)[C@@:9]3([H])[CH2:8][CH2:7][C:6]([CH3:19])=[CH:5][C@@:10]23[H]', '[H][C@@]2([C@H](C)CCC=C(C)C)CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)[C@@]3([H])CCC(C)=C[C@@]23[H]', '[H][C@@:42]2([C@H:31]([CH3:14])[CH2:36][CH2:27][CH:125]=[C:131]([CH3:18])[CH3:26])[CH2:19][CH2:33][C@:81]([CH3:25])(O[C@@H:98]1O[C@H:74]([CH2:63]O)[C@@H:69](O)[C@H:75](O[C:171]([CH3:21])=O)[C@H:70]1O)[C@@:45]3([H])[CH2:22][CH2:31][C:135]([CH3:24])=[CH:125][C@@:37]23[H]', '38 40 H 17.06 -13.16 H 19.22 -12.96 H 19.22 -9.49 C:17 16.73 -19.14 C:16 19.22 -19.14 C:103002 12.99 -3.67 C:19 22.94 -12.65 C:18 19.22 -14.83 C:20 18.68 -8.55 O 15.12 -4.89 O 11.56 -11.03 O 11.56 -8.55 O 15.84 -6.10 C:14 17.97 -16.99 C:5 20.46 -12.65 C:13 16.73 -16.27 C:106 12.99 -11.03 C:7 21.71 -10.51 C:12 16.73 -14.83 C:8 20.46 -9.78 C:3 16.73 -11.94 C:2 16.73 -10.51 O 12.99 -6.10 O 15.12 -9.78 O 17.27 -8.55 C:15 17.97 -18.42 C:103001 13.70 -4.89 C:6 21.71 -11.94 C:11 17.97 -14.09 C:104 12.99 -8.55 C:102 15.12 -7.33 C:105 13.70 -9.78 C:101 15.84 -8.55 C:103 13.70 -7.33 C:4 17.97 -12.65 C:10 19.22 -11.94 C:1 17.97 -9.78 C:9 19.22 -10.51 35 1 -1 36 2 -2 38 3 -2 4 26 1 5 26 1 6 27 1 7 28 1 29 8 -2 37 9 -1 10 27 2 11 17 1 30 12 -1 31 13 -1 14 16 1 14 26 2 15 28 2 15 36 1 16 19 1 32 17 -2 18 20 1 18 28 1 19 29 1 20 38 1 21 22 1 21 35 1 22 37 1 23 27 1 34 23 -2 24 32 1 24 33 1 33 25 -2 37 25 -2 29 35 1 30 32 1 30 34 1 31 33 1 31 34 1 35 36 1 36 38 1 37 38 1', '38 40 H 17.06 -13.16 H 19.22 -12.96 H 19.22 -9.49 C 16.73 -19.14 C 19.22 -19.14 C 12.99 -3.67 C 22.94 -12.65 C 19.22 -14.83 C 18.68 -8.55 O 15.12 -4.89 O 11.56 -11.03 O 11.56 -8.55 O 15.84 -6.10 C 17.97 -16.99 C 20.46 -12.65 C 16.73 -16.27 C 12.99 -11.03 C 21.71 -10.51 C 16.73 -14.83 C 20.46 -9.78 C 16.73 -11.94 C 16.73 -10.51 O 12.99 -6.10 O 15.12 -9.78 O 17.27 -8.55 C 17.97 -18.42 C 13.70 -4.89 C 21.71 -11.94 C 17.97 -14.09 C 12.99 -8.55 C 15.12 -7.33 C 13.70 -9.78 C 15.84 -8.55 C 13.70 -7.33 C 17.97 -12.65 C 19.22 -11.94 C 17.97 -9.78 C 19.22 -10.51 35 1 -1 36 2 -2 38 3 -2 4 26 1 5 26 1 6 27 1 7 28 1 29 8 -2 37 9 -1 10 27 2 11 17 1 30 12 -1 31 13 -1 14 16 1 14 26 2 15 28 2 15 36 1 16 19 1 32 17 -2 18 20 1 18 28 1 19 29 1 20 38 1 21 22 1 21 35 1 22 37 1 23 27 1 34 23 -2 24 32 1 24 33 1 33 25 -2 37 25 -2 29 35 1 30 32 1 30 34 1 31 33 1 31 34 1 35 36 1 36 38 1 37 38 1', '38 40 H 17.06 -13.16 H 19.22 -12.96 H 19.22 -9.49 C:18 16.73 -19.14 C:26 19.22 -19.14 C:21 12.99 -3.67 C:24 22.94 -12.65 C:14 19.22 -14.83 C:25 18.68 -8.55 O 15.12 -4.89 O 11.56 -11.03 O 11.56 -8.55 O 15.84 -6.10 C:125 17.97 -16.99 C:125 20.46 -12.65 C:27 16.73 -16.27 C:63 12.99 -11.03 C:31 21.71 -10.51 C:36 16.73 -14.83 C:22 20.46 -9.78 C:19 16.73 -11.94 C:33 16.73 -10.51 O 12.99 -6.10 O 15.12 -9.78 O 17.27 -8.55 C:131 17.97 -18.42 C:171 13.70 -4.89 C:135 21.71 -11.94 C:31 17.97 -14.09 C:69 12.99 -8.55 C:70 15.12 -7.33 C:74 13.70 -9.78 C:98 15.84 -8.55 C:75 13.70 -7.33 C:42 17.97 -12.65 C:37 19.22 -11.94 C:81 17.97 -9.78 C:45 19.22 -10.51 35 1 -1 36 2 -2 38 3 -2 4 26 1 5 26 1 6 27 1 7 28 1 29 8 -2 37 9 -1 10 27 2 11 17 1 30 12 -1 31 13 -1 14 16 1 14 26 2 15 28 2 15 36 1 16 19 1 32 17 -2 18 20 1 18 28 1 19 29 1 20 38 1 21 22 1 21 35 1 22 37 1 23 27 1 34 23 -2 24 32 1 24 33 1 33 25 -2 37 25 -2 29 35 1 30 32 1 30 34 1 31 33 1 31 34 1 35 36 1 36 38 1 37 38 1', 'C28H46O7', 494.319, 'C', 'np07_901_2', 3760, '', '', '1', 1, NULL, NULL),
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(14770, 'Sagittines A', '', 'Terpenoids', 'Diterpenoids', 'Rosanes', '[H][C@@:8]23[CH2:7][CH:6]=[C:5]1[C@:10]([H])([CH2:1][CH2:2][CH2:3][C@:4]1([CH3:18])[C:19](=O)O)[C@@:9]2([CH3:20])[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC=C1[C@]([H])(CCC[C@]1(C)C(=O)O)[C@@]2(C)CC[C@](C)(C=C)C3', '[H][C@@:36]23[CH2:30][CH:122]=[C:139]1[C@:49]([H])([CH2:26][CH2:23][CH2:38][C@:48]1([CH3:25])[C:184](=O)O)[C@@:35]2([CH3:13])[CH2:34][CH2:32][C@:36]([CH3:22])([CH:151]=[CH2:109])[CH2:39]3', '24 26 H 18.48 -9.95 H 15.96 -9.95 C:16 22.14 -8.05 C:17 20.57 -7.52 C:18 15.68 -14.10 C:20 17.23 -11.58 O 13.91 -15.36 O 12.31 -13.60 C:15 21.11 -9.06 C:6 17.23 -13.04 C:2 13.44 -10.87 C:7 18.48 -12.30 C:1 14.68 -10.14 C:3 13.44 -12.30 C:12 18.48 -7.99 C:11 17.23 -8.69 C:14 19.72 -10.14 C:19 13.64 -14.01 C:5 15.96 -12.30 C:8 18.48 -10.87 C:10 15.96 -10.87 C:13 19.72 -8.69 C:4 14.68 -13.04 C:9 17.23 -10.14 20 1 -1 21 2 -1 3 9 2 22 4 -1 23 5 -2 24 6 -2 7 18 2 8 18 1 22 9 -2 10 12 1 10 19 2 11 13 1 11 14 1 12 20 1 13 21 1 14 23 1 15 16 1 15 22 1 16 24 1 17 20 1 17 22 1 23 18 -1 19 21 1 19 23 1 20 24 1 21 24 1', '24 26 H 18.48 -9.95 H 15.96 -9.95 C 22.14 -8.05 C 20.57 -7.52 C 15.68 -14.10 C 17.23 -11.58 O 13.91 -15.36 O 12.31 -13.60 C 21.11 -9.06 C 17.23 -13.04 C 13.44 -10.87 C 18.48 -12.30 C 14.68 -10.14 C 13.44 -12.30 C 18.48 -7.99 C 17.23 -8.69 C 19.72 -10.14 C 13.64 -14.01 C 15.96 -12.30 C 18.48 -10.87 C 15.96 -10.87 C 19.72 -8.69 C 14.68 -13.04 C 17.23 -10.14 20 1 -1 21 2 -1 3 9 2 22 4 -1 23 5 -2 24 6 -2 7 18 2 8 18 1 22 9 -2 10 12 1 10 19 2 11 13 1 11 14 1 12 20 1 13 21 1 14 23 1 15 16 1 15 22 1 16 24 1 17 20 1 17 22 1 23 18 -1 19 21 1 19 23 1 20 24 1 21 24 1', '24 26 H 18.48 -9.95 H 15.96 -9.95 C:109 22.14 -8.05 C:22 20.57 -7.52 C:25 15.68 -14.10 C:13 17.23 -11.58 O 13.91 -15.36 O 12.31 -13.60 C:151 21.11 -9.06 C:122 17.23 -13.04 C:23 13.44 -10.87 C:30 18.48 -12.30 C:26 14.68 -10.14 C:38 13.44 -12.30 C:32 18.48 -7.99 C:34 17.23 -8.69 C:39 19.72 -10.14 C:184 13.64 -14.01 C:139 15.96 -12.30 C:36 18.48 -10.87 C:49 15.96 -10.87 C:36 19.72 -8.69 C:48 14.68 -13.04 C:35 17.23 -10.14 20 1 -1 21 2 -1 3 9 2 22 4 -1 23 5 -2 24 6 -2 7 18 2 8 18 1 22 9 -2 10 12 1 10 19 2 11 13 1 11 14 1 12 20 1 13 21 1 14 23 1 15 16 1 15 22 1 16 24 1 17 20 1 17 22 1 23 18 -1 19 21 1 19 23 1 20 24 1 21 24 1', 'C20H30O2', 302.229, 'C', 'np06_255_1', 3766, '', '', '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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(14786, '18-Hydroxy (-)-manool', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:19])[CH2:18]O', '[H][C@]12CCC(=C)[C@@H](CC[C@](C)(O)C=C)[C@]1(C)CCC[C@]2(C)CO', '[H][C@:49]12[CH2:24][CH2:38][C:149](=[CH2:107])[C@@H:57]([CH2:18][CH2:42][C@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@:40]1([CH3:15])[CH2:39][CH2:19][CH2:36][C@:9999]2([CH3:18])[CH2:72]O', '23 24 H 16.66 -14.72 C:15 20.34 -5.96 C:17 20.34 -11.64 C:16 17.88 -7.37 C:19 14.46 -15.52 C:20 16.66 -10.93 O 15.95 -16.85 O 19.12 -6.68 C:14 20.34 -7.37 C:18 16.38 -15.52 C:2 14.19 -12.36 C:7 19.12 -13.77 C:11 17.88 -10.21 C:3 14.19 -13.77 C:1 15.42 -11.64 C:12 19.12 -9.51 C:6 17.88 -14.47 C:8 19.12 -12.36 C:9 17.88 -11.64 C:13 19.12 -8.08 C:5 16.66 -13.77 C:4 15.42 -14.47 C:10 16.66 -12.36 21 1 -1 2 9 2 3 18 2 20 4 -1 22 5 -2 23 6 -2 7 10 1 20 8 -2 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -2 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', '23 24 H 16.66 -14.72 C 20.34 -5.96 C 20.34 -11.64 C 17.88 -7.37 C 14.46 -15.52 C 16.66 -10.93 O 15.95 -16.85 O 19.12 -6.68 C 20.34 -7.37 C 16.38 -15.52 C 14.19 -12.36 C 19.12 -13.77 C 17.88 -10.21 C 14.19 -13.77 C 15.42 -11.64 C 19.12 -9.51 C 17.88 -14.47 C 19.12 -12.36 C 17.88 -11.64 C 19.12 -8.08 C 16.66 -13.77 C 15.42 -14.47 C 16.66 -12.36 21 1 -1 2 9 2 3 18 2 20 4 -1 22 5 -2 23 6 -2 7 10 1 20 8 -2 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -2 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', '23 24 H 16.66 -14.72 C:112 20.34 -5.96 C:107 20.34 -11.64 C:28 17.88 -7.37 C:18 14.46 -15.52 C:15 16.66 -10.93 O 15.95 -16.85 O 19.12 -6.68 C:145 20.34 -7.37 C:72 16.38 -15.52 C:19 14.19 -12.36 C:38 19.12 -13.77 C:18 17.88 -10.21 C:36 14.19 -13.77 C:39 15.42 -11.64 C:42 19.12 -9.51 C:24 17.88 -14.47 C:149 19.12 -12.36 C:57 17.88 -11.64 C:74 19.12 -8.08 C:49 16.66 -13.77 C 15.42 -14.47 C:40 16.66 -12.36 21 1 -1 2 9 2 3 18 2 20 4 -1 22 5 -2 23 6 -2 7 10 1 20 8 -2 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -2 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', 'C20H34O2', 306.221, '', 'ph32_945_17', 3768, '', '', '1', 1, NULL, NULL),
(14787, '', 'ent-Dolabr-4(18)-ene-7α,15S,16-triol', 'Terpenoids', 'Diterpenoids', 'Dolabranes', '[H][C@:8]24[CH2:14][C@@:13]([CH3:17])([C@@H:15]1[CH2:16]O[C:15001]([CH3:15003])([CH3:15002])O1)[CH2:12][CH2:11][C@:9]2([CH3:20])[C@@:10]3([H])[CH2:1][CH2:2][CH2:3][C:4](=[CH2:18])[C@:5]3([CH3:19])[CH2:6][C@@H:7]4O[C:7001]([CH3:7002])=O', '[H][C@]24C[C@@](C)([C@@H]1COC(C)(C)O1)CC[C@]2(C)[C@@]3([H])CCCC(=C)[C@]3(C)C[C@@H]4OC(C)=O', '[H][C@:46]24[CH2:29][C@@:35]([CH3:20])([C@@H:85]1[CH2:65]O[C:109]([CH3:26])([CH3:25])O1)[CH2:28][CH2:33][C@:38]2([CH3:14])[C@@:56]3([H])[CH2:21][CH2:29][CH2:35][C:159](=[CH2:103])[C@:41]3([CH3:21])[CH2:44][C@@H:72]4O[C:171]([CH3:22])=O', '31 34 H 16.66 -9.89 H 14.18 -9.89 C:18 12.92 -14.53 C:7002 19.10 -15.23 C:15003 21.34 -11.59 C:15002 22.71 -10.17 C:17 18.74 -7.64 C:19 14.18 -13.81 C:20 15.42 -11.66 O 16.66 -15.20 C:2 11.74 -10.98 C:3 11.74 -12.41 C:16 20.29 -8.16 C:1 12.92 -10.24 C:12 16.67 -8.10 C:11 15.42 -8.81 C:6 15.42 -13.13 C:14 17.88 -10.24 O 21.53 -8.79 O 17.88 -13.13 O 19.95 -10.41 C:7001 17.88 -14.52 C:4 12.92 -13.13 C:15 19.29 -9.18 C:7 16.67 -12.41 C:15001 21.34 -10.18 C:8 16.66 -10.98 C:13 17.88 -8.81 C:10 14.18 -10.98 C:5 14.18 -12.41 C:9 15.42 -10.24 27 1 -1 29 2 -1 3 23 2 4 22 1 5 26 1 6 26 1 28 7 -1 30 8 -2 31 9 -2 10 22 2 11 12 1 11 14 1 12 23 1 13 19 1 13 24 1 14 29 1 15 16 1 15 28 1 16 31 1 17 25 1 17 30 1 18 27 1 18 28 1 19 26 1 20 22 1 25 20 -1 24 21 -2 21 26 1 23 30 1 24 28 1 25 27 1 27 31 1 29 30 1 29 31 1', '31 34 H 16.66 -9.89 H 14.18 -9.89 C 12.92 -14.53 C 19.10 -15.23 C 21.34 -11.59 C 22.71 -10.17 C 18.74 -7.64 C 14.18 -13.81 C 15.42 -11.66 O 16.66 -15.20 C 11.74 -10.98 C 11.74 -12.41 C 20.29 -8.16 C 12.92 -10.24 C 16.67 -8.10 C 15.42 -8.81 C 15.42 -13.13 C 17.88 -10.24 O 21.53 -8.79 O 17.88 -13.13 O 19.95 -10.41 C 17.88 -14.52 C 12.92 -13.13 C 19.29 -9.18 C 16.67 -12.41 C 21.34 -10.18 C 16.66 -10.98 C 17.88 -8.81 C 14.18 -10.98 C 14.18 -12.41 C 15.42 -10.24 27 1 -1 29 2 -1 3 23 2 4 22 1 5 26 1 6 26 1 28 7 -1 30 8 -2 31 9 -2 10 22 2 11 12 1 11 14 1 12 23 1 13 19 1 13 24 1 14 29 1 15 16 1 15 28 1 16 31 1 17 25 1 17 30 1 18 27 1 18 28 1 19 26 1 20 22 1 25 20 -1 24 21 -2 21 26 1 23 30 1 24 28 1 25 27 1 27 31 1 29 30 1 29 31 1', '31 34 H 16.66 -9.89 H 14.18 -9.89 C:103 12.92 -14.53 C:22 19.10 -15.23 C:26 21.34 -11.59 C:25 22.71 -10.17 C:20 18.74 -7.64 C:21 14.18 -13.81 C:14 15.42 -11.66 O 16.66 -15.20 C:29 11.74 -10.98 C:35 11.74 -12.41 C:65 20.29 -8.16 C:21 12.92 -10.24 C:28 16.67 -8.10 C:33 15.42 -8.81 C:44 15.42 -13.13 C:29 17.88 -10.24 O 21.53 -8.79 O 17.88 -13.13 O 19.95 -10.41 C:171 17.88 -14.52 C:159 12.92 -13.13 C:85 19.29 -9.18 C:72 16.67 -12.41 C:109 21.34 -10.18 C:46 16.66 -10.98 C:35 17.88 -8.81 C:56 14.18 -10.98 C:41 14.18 -12.41 C:38 15.42 -10.24 27 1 -1 29 2 -1 3 23 2 4 22 1 5 26 1 6 26 1 28 7 -1 30 8 -2 31 9 -2 10 22 2 11 12 1 11 14 1 12 23 1 13 19 1 13 24 1 14 29 1 15 16 1 15 28 1 16 31 1 17 25 1 17 30 1 18 27 1 18 28 1 19 26 1 20 22 1 25 20 -1 24 21 -2 21 26 1 23 30 1 24 28 1 25 27 1 27 31 1 29 30 1 29 31 1', 'C25H40O4', 404.281, '', 'ph32_945_27', 3768, '', '', '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
(14788, '', 'ent-Dolabr-4(18)-ene-7α,15R,16-triol', 'Terpenoids', 'Diterpenoids', 'Dolabranes', '[H][C@:8]24[CH2:14][C@@:13]([CH3:17])([C@H:15]1[CH2:16]O[C:15001]([CH3:15003])([CH3:15002])O1)[CH2:12][CH2:11][C@:9]2([CH3:20])[C@@:10]3([H])[CH2:1][CH2:2][CH2:3][C:4](=[CH2:18])[C@:5]3([CH3:19])[CH2:6][C@@H:7]4O[C:7001]([CH3:7002])=O', '[H][C@]24C[C@@](C)([C@H]1COC(C)(C)O1)CC[C@]2(C)[C@@]3([H])CCCC(=C)[C@]3(C)C[C@@H]4OC(C)=O', '[H][C@:46]24[CH2:30][C@@:35]([CH3:20])([C@H:85]1[CH2:65]O[C:9999]([CH3:26])([CH3:25])O1)[CH2:28][CH2:33][C@:9999]2([CH3:14])[C@@:9999]3([H])[CH2:21][CH2:29][CH2:35][C:9999](=[CH2:103])[C@:9999]3([CH3:21])[CH2:44][C@@H:72]4O[C:9999]([CH3:22])=O', '31 34 H 16.68 -9.90 H 14.20 -9.90 C:18 12.94 -14.55 C:7002 19.12 -15.22 C:15003 21.36 -11.61 C:15002 22.74 -10.19 C:17 18.76 -7.65 C:19 14.20 -13.83 C:20 15.44 -11.68 O 16.68 -15.22 C:2 11.76 -11.00 C:3 11.76 -12.43 C:16 20.31 -8.17 C:1 12.94 -10.25 C:12 16.68 -8.11 C:11 15.44 -8.82 C:6 15.44 -13.15 C:14 17.90 -10.25 O 21.55 -8.82 O 17.90 -13.15 O 19.97 -10.42 C:7001 17.90 -14.55 C:4 12.94 -13.15 C:15 19.31 -9.19 C:7 16.68 -12.43 C:15001 21.36 -10.19 C:8 16.68 -11.00 C:13 17.90 -8.82 C:10 14.20 -11.00 C:5 14.20 -12.43 C:9 15.44 -10.25 27 1 -1 29 2 -1 3 23 2 4 22 1 5 26 1 6 26 1 28 7 -1 30 8 -2 31 9 -2 10 22 2 11 12 1 11 14 1 12 23 1 13 19 1 13 24 1 14 29 1 15 16 1 15 28 1 16 31 1 17 25 1 17 30 1 18 27 1 18 28 1 19 26 1 20 22 1 25 20 -1 24 21 -1 21 26 1 23 30 1 24 28 1 25 27 1 27 31 1 29 30 1 29 31 1', '31 34 H 16.68 -9.90 H 14.20 -9.90 C 12.94 -14.55 C 19.12 -15.22 C 21.36 -11.61 C 22.74 -10.19 C 18.76 -7.65 C 14.20 -13.83 C 15.44 -11.68 O 16.68 -15.22 C 11.76 -11.00 C 11.76 -12.43 C 20.31 -8.17 C 12.94 -10.25 C 16.68 -8.11 C 15.44 -8.82 C 15.44 -13.15 C 17.90 -10.25 O 21.55 -8.82 O 17.90 -13.15 O 19.97 -10.42 C 17.90 -14.55 C 12.94 -13.15 C 19.31 -9.19 C 16.68 -12.43 C 21.36 -10.19 C 16.68 -11.00 C 17.90 -8.82 C 14.20 -11.00 C 14.20 -12.43 C 15.44 -10.25 27 1 -1 29 2 -1 3 23 2 4 22 1 5 26 1 6 26 1 28 7 -1 30 8 -2 31 9 -2 10 22 2 11 12 1 11 14 1 12 23 1 13 19 1 13 24 1 14 29 1 15 16 1 15 28 1 16 31 1 17 25 1 17 30 1 18 27 1 18 28 1 19 26 1 20 22 1 25 20 -1 24 21 -1 21 26 1 23 30 1 24 28 1 25 27 1 27 31 1 29 30 1 29 31 1', '31 34 H 16.68 -9.90 H 14.20 -9.90 C:103 12.94 -14.55 C:22 19.12 -15.22 C:26 21.36 -11.61 C:25 22.74 -10.19 C:20 18.76 -7.65 C:21 14.20 -13.83 C:14 15.44 -11.68 O 16.68 -15.22 C:29 11.76 -11.00 C:35 11.76 -12.43 C:65 20.31 -8.17 C:21 12.94 -10.25 C:28 16.68 -8.11 C:33 15.44 -8.82 C:44 15.44 -13.15 C:30 17.90 -10.25 O 21.55 -8.82 O 17.90 -13.15 O 19.97 -10.42 C 17.90 -14.55 C 12.94 -13.15 C:85 19.31 -9.19 C:72 16.68 -12.43 C 21.36 -10.19 C:46 16.68 -11.00 C:35 17.90 -8.82 C 14.20 -11.00 C 14.20 -12.43 C 15.44 -10.25 27 1 -1 29 2 -1 3 23 2 4 22 1 5 26 1 6 26 1 28 7 -1 30 8 -2 31 9 -2 10 22 2 11 12 1 11 14 1 12 23 1 13 19 1 13 24 1 14 29 1 15 16 1 15 28 1 16 31 1 17 25 1 17 30 1 18 27 1 18 28 1 19 26 1 20 22 1 25 20 -1 24 21 -1 21 26 1 23 30 1 24 28 1 25 27 1 27 31 1 29 30 1 29 31 1', 'C25H40O4', 404.281, '', 'ph32_945_28', 3768, '', '', '1', 1, NULL, NULL),
(14789, 'Erythroxydiol Y', '', 'Terpenoids', 'Diterpenoids', 'Dolabranes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C:4](=[CH2:18])[CH2:3][CH2:2][CH2:1][C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C@:13]([CH3:17])([C@@H:15]3[CH2:16]O[C:15001]([CH3:15002])([CH3:15003])O3)[CH2:14]4', '[H][C@@]24CC[C@@]1(C)C(=C)CCC[C@]1([H])[C@@]2(C)CC[C@](C)([C@@H]3COC(C)(C)O3)C4', '[H][C@@:42]24[CH2:26][CH2:38][C@@:41]1([CH3:22])[C:161](=[CH2:102])[CH2:35][CH2:28][CH2:21][C@:57]1([H])[C@@:38]2([CH3:12])[CH2:33][CH2:29][C@:36]([CH3:20])([C@@H:85]3[CH2:65]O[C:109]([CH3:25])([CH3:26])O3)[CH2:36]4', '27 30 H 16.65 -10.22 H 14.18 -10.22 C:18 12.92 -14.87 C:15002 22.71 -10.51 C:15003 21.33 -11.93 C:17 18.73 -7.97 C:19 14.18 -14.15 C:20 15.42 -12.00 C:2 11.75 -11.32 C:3 11.75 -12.75 C:1 12.92 -10.57 C:7 16.65 -12.75 C:12 16.65 -8.43 C:6 15.42 -13.47 C:11 15.42 -9.14 C:16 20.28 -8.49 C:14 17.87 -10.57 O 21.52 -9.14 O 19.94 -10.74 C:4 12.92 -13.47 C:15 19.28 -9.51 C:8 16.65 -11.32 C:15001 21.33 -10.51 C:13 17.87 -9.14 C:10 14.18 -11.32 C:5 14.18 -12.75 C:9 15.42 -10.57 22 1 -1 25 2 -1 3 20 2 4 23 1 5 23 1 24 6 -1 26 7 -2 27 8 -2 9 10 1 9 11 1 10 20 1 11 25 1 12 14 1 12 22 1 13 15 1 13 24 1 14 26 1 15 27 1 16 18 1 16 21 1 17 22 1 17 24 1 18 23 1 21 19 -2 19 23 1 20 26 1 21 24 1 22 27 1 25 26 1 25 27 1', '27 30 H 16.65 -10.22 H 14.18 -10.22 C 12.92 -14.87 C 22.71 -10.51 C 21.33 -11.93 C 18.73 -7.97 C 14.18 -14.15 C 15.42 -12.00 C 11.75 -11.32 C 11.75 -12.75 C 12.92 -10.57 C 16.65 -12.75 C 16.65 -8.43 C 15.42 -13.47 C 15.42 -9.14 C 20.28 -8.49 C 17.87 -10.57 O 21.52 -9.14 O 19.94 -10.74 C 12.92 -13.47 C 19.28 -9.51 C 16.65 -11.32 C 21.33 -10.51 C 17.87 -9.14 C 14.18 -11.32 C 14.18 -12.75 C 15.42 -10.57 22 1 -1 25 2 -1 3 20 2 4 23 1 5 23 1 24 6 -1 26 7 -2 27 8 -2 9 10 1 9 11 1 10 20 1 11 25 1 12 14 1 12 22 1 13 15 1 13 24 1 14 26 1 15 27 1 16 18 1 16 21 1 17 22 1 17 24 1 18 23 1 21 19 -2 19 23 1 20 26 1 21 24 1 22 27 1 25 26 1 25 27 1', '27 30 H 16.65 -10.22 H 14.18 -10.22 C:102 12.92 -14.87 C:25 22.71 -10.51 C:26 21.33 -11.93 C:20 18.73 -7.97 C:22 14.18 -14.15 C:12 15.42 -12.00 C:28 11.75 -11.32 C:35 11.75 -12.75 C:21 12.92 -10.57 C:26 16.65 -12.75 C:29 16.65 -8.43 C:38 15.42 -13.47 C:33 15.42 -9.14 C:65 20.28 -8.49 C:36 17.87 -10.57 O 21.52 -9.14 O 19.94 -10.74 C:161 12.92 -13.47 C:85 19.28 -9.51 C:42 16.65 -11.32 C:109 21.33 -10.51 C:36 17.87 -9.14 C:57 14.18 -11.32 C:41 14.18 -12.75 C:38 15.42 -10.57 22 1 -1 25 2 -1 3 20 2 4 23 1 5 23 1 24 6 -1 26 7 -2 27 8 -2 9 10 1 9 11 1 10 20 1 11 25 1 12 14 1 12 22 1 13 15 1 13 24 1 14 26 1 15 27 1 16 18 1 16 21 1 17 22 1 17 24 1 18 23 1 21 19 -2 19 23 1 20 26 1 21 24 1 22 27 1 25 26 1 25 27 1', 'C23H38O2', 346.261, '', 'ph32_945_14', 3768, '', '', '1', 1, NULL, NULL),
(14790, '', 'ent-5α-Dolabr-4(18)-ene-l5~,16-diol acetonide', 'Terpenoids', 'Diterpenoids', 'Dolabranes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C:4](=[CH2:18])[CH2:3][CH2:2][CH2:1][C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C@:13]([CH3:17])([C@H:15]3[CH2:16]O[C:15001]([CH3:15003])([CH3:15002])O3)[CH2:14]4', '[H][C@@]24CC[C@@]1(C)C(=C)CCC[C@]1([H])[C@@]2(C)CC[C@](C)([C@H]3COC(C)(C)O3)C4', '[H][C@@:42]24[CH2:26][CH2:36][C@@:40]1([CH3:33])[C:154](=[CH2:106])[CH2:39][CH2:24][CH2:21][C@:55]1([H])[C@@:39]2([CH3:16])[CH2:32][CH2:29][C@:36]([CH3:19])([C@H:85]3[CH2:65]O[C:109]([CH3:26])([CH3:25])O3)[CH2:36]4', '27 30 H 16.65 -10.22 H 14.18 -10.22 C:18 12.92 -14.87 C:15003 21.33 -11.93 C:15002 22.71 -10.51 C:17 18.73 -7.97 C:19 14.18 -14.15 C:20 15.42 -12.00 C:2 11.75 -11.32 C:3 11.75 -12.75 C:1 12.92 -10.57 C:7 16.65 -12.75 C:12 16.65 -8.43 C:6 15.42 -13.47 C:11 15.42 -9.14 C:16 20.28 -8.49 C:14 17.87 -10.57 O 21.52 -9.14 O 19.94 -10.74 C:4 12.92 -13.47 C:15 19.28 -9.51 C:8 16.65 -11.32 C:15001 21.33 -10.51 C:13 17.87 -9.14 C:10 14.18 -11.32 C:5 14.18 -12.75 C:9 15.42 -10.57 22 1 -1 25 2 -1 3 20 2 4 23 1 5 23 1 24 6 -1 26 7 -2 27 8 -2 9 10 1 9 11 1 10 20 1 11 25 1 12 14 1 12 22 1 13 15 1 13 24 1 14 26 1 15 27 1 16 18 1 16 21 1 17 22 1 17 24 1 18 23 1 21 19 -1 19 23 1 20 26 1 21 24 1 22 27 1 25 26 1 25 27 1', '27 30 H 16.65 -10.22 H 14.18 -10.22 C 12.92 -14.87 C 21.33 -11.93 C 22.71 -10.51 C 18.73 -7.97 C 14.18 -14.15 C 15.42 -12.00 C 11.75 -11.32 C 11.75 -12.75 C 12.92 -10.57 C 16.65 -12.75 C 16.65 -8.43 C 15.42 -13.47 C 15.42 -9.14 C 20.28 -8.49 C 17.87 -10.57 O 21.52 -9.14 O 19.94 -10.74 C 12.92 -13.47 C 19.28 -9.51 C 16.65 -11.32 C 21.33 -10.51 C 17.87 -9.14 C 14.18 -11.32 C 14.18 -12.75 C 15.42 -10.57 22 1 -1 25 2 -1 3 20 2 4 23 1 5 23 1 24 6 -1 26 7 -2 27 8 -2 9 10 1 9 11 1 10 20 1 11 25 1 12 14 1 12 22 1 13 15 1 13 24 1 14 26 1 15 27 1 16 18 1 16 21 1 17 22 1 17 24 1 18 23 1 21 19 -1 19 23 1 20 26 1 21 24 1 22 27 1 25 26 1 25 27 1', '27 30 H 16.65 -10.22 H 14.18 -10.22 C:106 12.92 -14.87 C:26 21.33 -11.93 C:25 22.71 -10.51 C:19 18.73 -7.97 C:33 14.18 -14.15 C:16 15.42 -12.00 C:24 11.75 -11.32 C:39 11.75 -12.75 C:21 12.92 -10.57 C:26 16.65 -12.75 C:29 16.65 -8.43 C:36 15.42 -13.47 C:32 15.42 -9.14 C:65 20.28 -8.49 C:36 17.87 -10.57 O 21.52 -9.14 O 19.94 -10.74 C:154 12.92 -13.47 C:85 19.28 -9.51 C:42 16.65 -11.32 C:109 21.33 -10.51 C:36 17.87 -9.14 C:55 14.18 -11.32 C:40 14.18 -12.75 C:39 15.42 -10.57 22 1 -1 25 2 -1 3 20 2 4 23 1 5 23 1 24 6 -1 26 7 -2 27 8 -2 9 10 1 9 11 1 10 20 1 11 25 1 12 14 1 12 22 1 13 15 1 13 24 1 14 26 1 15 27 1 16 18 1 16 21 1 17 22 1 17 24 1 18 23 1 21 19 -1 19 23 1 20 26 1 21 24 1 22 27 1 25 26 1 25 27 1', 'C23H38O2', 346.261, '', 'ph32_945_29', 3768, '', '', '1', 1, NULL, NULL),
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(14805, 'Petalostigmone C', '', 'Terpenoids', 'Diterpenoids', 'Erythroxylanes', '[H][C@@:8]23[CH2:7][CH2:6][C@@:5]1([CH3:19])[C:4]([CH3:18])=[CH:3][C:2](=O)[CH:1]=[C:10]1[C@@:9]2([CH3:20])[CH2:11][C@@H:12](O)[C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@@]1(C)C(C)=CC(=O)C=C1[C@@]2(C)C[C@@H](O)[C@](C)(C=C)C3', '[H][C@@:40]23[CH2:25][CH2:39][C@@:43]1([CH3:28])[C:167]([CH3:19])=[CH:126][C:187](=O)[CH:123]=[C:174]1[C@@:42]2([CH3:19])[CH2:41][C@@H:72](O)[C@:42]([CH3:15])([CH:147]=[CH2:113])[CH2:36]3', '23 25 H 18.48 -10.77 C:16 22.09 -8.90 C:18 14.75 -15.32 C:17 20.54 -8.44 C:19 16.04 -14.48 C:20 17.25 -12.48 O 12.36 -11.08 O 18.48 -7.51 C:15 21.08 -9.97 C:3 13.55 -13.19 C:1 14.75 -11.08 C:7 18.48 -13.19 C:6 17.25 -13.91 C:11 17.25 -9.60 C:14 19.71 -11.08 C:2 13.55 -11.77 C:4 14.75 -13.91 C:10 16.04 -11.77 C:12 18.48 -8.90 C:8 18.48 -11.77 C:13 19.71 -9.60 C:5 16.04 -13.19 C:9 17.25 -11.08 20 1 -1 2 9 2 3 17 1 21 4 -1 22 5 -2 23 6 -2 7 16 2 19 8 -1 21 9 -2 10 16 1 10 17 2 11 16 1 11 18 2 12 13 1 12 20 1 13 22 1 14 19 1 14 23 1 15 20 1 15 21 1 17 22 1 18 22 1 18 23 1 19 21 1 20 23 1', '23 25 H 18.48 -10.77 C 22.09 -8.90 C 14.75 -15.32 C 20.54 -8.44 C 16.04 -14.48 C 17.25 -12.48 O 12.36 -11.08 O 18.48 -7.51 C 21.08 -9.97 C 13.55 -13.19 C 14.75 -11.08 C 18.48 -13.19 C 17.25 -13.91 C 17.25 -9.60 C 19.71 -11.08 C 13.55 -11.77 C 14.75 -13.91 C 16.04 -11.77 C 18.48 -8.90 C 18.48 -11.77 C 19.71 -9.60 C 16.04 -13.19 C 17.25 -11.08 20 1 -1 2 9 2 3 17 1 21 4 -1 22 5 -2 23 6 -2 7 16 2 19 8 -1 21 9 -2 10 16 1 10 17 2 11 16 1 11 18 2 12 13 1 12 20 1 13 22 1 14 19 1 14 23 1 15 20 1 15 21 1 17 22 1 18 22 1 18 23 1 19 21 1 20 23 1', '23 25 H 18.48 -10.77 C:113 22.09 -8.90 C:19 14.75 -15.32 C:15 20.54 -8.44 C:28 16.04 -14.48 C:19 17.25 -12.48 O 12.36 -11.08 O 18.48 -7.51 C:147 21.08 -9.97 C:126 13.55 -13.19 C:123 14.75 -11.08 C:25 18.48 -13.19 C:39 17.25 -13.91 C:41 17.25 -9.60 C:36 19.71 -11.08 C:187 13.55 -11.77 C:167 14.75 -13.91 C:174 16.04 -11.77 C:72 18.48 -8.90 C:40 18.48 -11.77 C:42 19.71 -9.60 C:43 16.04 -13.19 C:42 17.25 -11.08 20 1 -1 2 9 2 3 17 1 21 4 -1 22 5 -2 23 6 -2 7 16 2 19 8 -1 21 9 -2 10 16 1 10 17 2 11 16 1 11 18 2 12 13 1 12 20 1 13 22 1 14 19 1 14 23 1 15 20 1 15 21 1 17 22 1 18 22 1 18 23 1 19 21 1 20 23 1', 'C20H28O2', 300.221, 'C', 'ph67_1708_3', 3770, '', '', '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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(14819, '', '15-Acetos-ent-labd-8(17)-en-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][CH:13]([CH3:16])[CH2:14][CH2:15]O[C:15001]([CH3:15002])=O)[C@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:19])[C:18](=O)O', '[H][C@]12CCC(=C)[C@@H](CCC(C)CCOC(C)=O)[C@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@:49]12[CH2:27][CH2:38][C:148](=[CH2:107])[C@@H:57]([CH2:21][CH2:36][CH:30]([CH3:19])[CH2:36][CH2:63]O[C:171]([CH3:21])=O)[C@:39]1([CH3:15])[CH2:38][CH2:18][CH2:37][C@:47]2([CH3:16])[C:185](=O)O', '27 28 H 15.41 -16.12 C:17 19.11 -13.03 C:15002 21.53 -4.60 C:16 16.65 -8.80 C:19 13.23 -16.93 C:20 15.41 -12.32 O 19.11 -4.60 O 14.70 -18.28 O 16.51 -16.65 C:2 12.95 -13.75 C:15 19.11 -7.40 C:7 17.89 -15.17 C:14 19.11 -8.80 C:12 17.89 -10.91 C:11 16.65 -11.61 C:3 12.95 -15.17 C:1 14.18 -13.03 C:6 16.65 -15.88 O 20.32 -6.70 C:15001 20.32 -5.30 C:8 17.89 -13.75 C:18 15.13 -16.93 C:13 17.89 -9.51 C:9 16.65 -13.03 C:5 15.41 -15.17 C:4 14.18 -15.88 C:10 15.41 -13.75 25 1 -1 2 21 2 3 20 1 4 23 1 26 5 -2 27 6 -2 7 20 2 8 22 2 9 22 1 10 16 1 10 17 1 11 13 1 11 19 1 12 18 1 12 21 1 13 23 1 14 15 1 14 23 1 24 15 -2 16 26 1 17 27 1 18 25 1 19 20 1 21 24 1 26 22 -1 24 27 1 25 26 1 25 27 1', '27 28 H 15.41 -16.12 C 19.11 -13.03 C 21.53 -4.60 C 16.65 -8.80 C 13.23 -16.93 C 15.41 -12.32 O 19.11 -4.60 O 14.70 -18.28 O 16.51 -16.65 C 12.95 -13.75 C 19.11 -7.40 C 17.89 -15.17 C 19.11 -8.80 C 17.89 -10.91 C 16.65 -11.61 C 12.95 -15.17 C 14.18 -13.03 C 16.65 -15.88 O 20.32 -6.70 C 20.32 -5.30 C 17.89 -13.75 C 15.13 -16.93 C 17.89 -9.51 C 16.65 -13.03 C 15.41 -15.17 C 14.18 -15.88 C 15.41 -13.75 25 1 -1 2 21 2 3 20 1 4 23 1 26 5 -2 27 6 -2 7 20 2 8 22 2 9 22 1 10 16 1 10 17 1 11 13 1 11 19 1 12 18 1 12 21 1 13 23 1 14 15 1 14 23 1 24 15 -2 16 26 1 17 27 1 18 25 1 19 20 1 21 24 1 26 22 -1 24 27 1 25 26 1 25 27 1', '27 28 H 15.41 -16.12 C:107 19.11 -13.03 C:21 21.53 -4.60 C:19 16.65 -8.80 C:16 13.23 -16.93 C:15 15.41 -12.32 O 19.11 -4.60 O 14.70 -18.28 O 16.51 -16.65 C:18 12.95 -13.75 C:63 19.11 -7.40 C:38 17.89 -15.17 C:36 19.11 -8.80 C:36 17.89 -10.91 C:21 16.65 -11.61 C:37 12.95 -15.17 C:38 14.18 -13.03 C:27 16.65 -15.88 O 20.32 -6.70 C:171 20.32 -5.30 C:148 17.89 -13.75 C:185 15.13 -16.93 C:30 17.89 -9.51 C:57 16.65 -13.03 C:49 15.41 -15.17 C:47 14.18 -15.88 C:39 15.41 -13.75 25 1 -1 2 21 2 3 20 1 4 23 1 26 5 -2 27 6 -2 7 20 2 8 22 2 9 22 1 10 16 1 10 17 1 11 13 1 11 19 1 12 18 1 12 21 1 13 23 1 14 15 1 14 23 1 24 15 -2 16 26 1 17 27 1 18 25 1 19 20 1 21 24 1 26 22 -1 24 27 1 25 26 1 25 27 1', 'C22H36O4', 364.241, 'C', 'ph48_1031_2a', 3772, '', '', '1', 47, NULL, NULL),
(14820, '', '15,16-Epoxy-15-methoxy-ent-labd-8(17)-en18-oic acid methyl ester', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][CH:13]1[CH2:16]O[CH:15](O[CH3:15001])[CH2:14]1)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[C:18](=O)O[CH3:18001]', '[H][C@]23CCC(=C)[C@@H](CCC1COC(OC)C1)[C@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@:50]23[CH2:27][CH2:38][C:148](=[CH2:107])[C@@H:57]([CH2:22][CH2:32][CH:37]1[CH2:72]O[CH:105](O[CH3:54])[CH2:39]1)[C@:39]2([CH3:15])[CH2:38][CH2:17][CH2:37][C@:48]3([CH3:16])[C:179](=O)O[CH3:52]', '27 29 H 15.81 -15.32 C:17 19.51 -12.23 C:18001 17.84 -16.88 C:15001 21.19 -5.50 C:19 13.62 -16.11 C:20 15.81 -11.52 O 15.10 -17.45 C:2 13.34 -12.95 C:7 18.28 -14.36 C:12 18.28 -10.09 C:11 17.04 -10.81 C:16 17.14 -7.84 C:3 13.34 -14.36 C:1 14.58 -12.23 C:6 17.04 -15.08 C:14 19.43 -7.84 O 16.90 -15.83 O 19.79 -5.37 O 17.57 -6.51 C:8 18.28 -12.95 C:18 15.53 -16.11 C:13 18.28 -8.67 C:15 18.98 -6.51 C:9 17.04 -12.23 C:5 15.81 -14.36 C:4 14.58 -15.08 C:10 15.81 -12.95 25 1 -1 2 20 2 3 17 1 4 18 1 26 5 -2 27 6 -2 7 21 2 8 13 1 8 14 1 9 15 1 9 20 1 10 11 1 10 22 1 24 11 -2 12 19 1 12 22 1 13 26 1 14 27 1 15 25 1 16 22 1 16 23 1 17 21 1 18 23 1 19 23 1 20 24 1 26 21 -1 24 27 1 25 26 1 25 27 1', '27 29 H 15.81 -15.32 C 19.51 -12.23 C 17.84 -16.88 C 21.19 -5.50 C 13.62 -16.11 C 15.81 -11.52 O 15.10 -17.45 C 13.34 -12.95 C 18.28 -14.36 C 18.28 -10.09 C 17.04 -10.81 C 17.14 -7.84 C 13.34 -14.36 C 14.58 -12.23 C 17.04 -15.08 C 19.43 -7.84 O 16.90 -15.83 O 19.79 -5.37 O 17.57 -6.51 C 18.28 -12.95 C 15.53 -16.11 C 18.28 -8.67 C 18.98 -6.51 C 17.04 -12.23 C 15.81 -14.36 C 14.58 -15.08 C 15.81 -12.95 25 1 -1 2 20 2 3 17 1 4 18 1 26 5 -2 27 6 -2 7 21 2 8 13 1 8 14 1 9 15 1 9 20 1 10 11 1 10 22 1 24 11 -2 12 19 1 12 22 1 13 26 1 14 27 1 15 25 1 16 22 1 16 23 1 17 21 1 18 23 1 19 23 1 20 24 1 26 21 -1 24 27 1 25 26 1 25 27 1', '27 29 H 15.81 -15.32 C:107 19.51 -12.23 C:52 17.84 -16.88 C:54 21.19 -5.50 C:16 13.62 -16.11 C:15 15.81 -11.52 O 15.10 -17.45 C:17 13.34 -12.95 C:38 18.28 -14.36 C:32 18.28 -10.09 C:22 17.04 -10.81 C:72 17.14 -7.84 C:37 13.34 -14.36 C:38 14.58 -12.23 C:27 17.04 -15.08 C:39 19.43 -7.84 O 16.90 -15.83 O 19.79 -5.37 O 17.57 -6.51 C:148 18.28 -12.95 C:179 15.53 -16.11 C:37 18.28 -8.67 C:105 18.98 -6.51 C:57 17.04 -12.23 C:50 15.81 -14.36 C:48 14.58 -15.08 C:39 15.81 -12.95 25 1 -1 2 20 2 3 17 1 4 18 1 26 5 -2 27 6 -2 7 21 2 8 13 1 8 14 1 9 15 1 9 20 1 10 11 1 10 22 1 24 11 -2 12 19 1 12 22 1 13 26 1 14 27 1 15 25 1 16 22 1 16 23 1 17 21 1 18 23 1 19 23 1 20 24 1 26 21 -1 24 27 1 25 26 1 25 27 1', 'C22H36O4', 364.241, 'C', 'ph48_1031_3a', 3772, '', '', '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
(14821, '', '15,16-Epoxy-15-methoxy-ent-labd-8(17)-en18-oic acid methyl ester', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][CH:13]1[CH2:16]O[CH:15](O[CH3:15001])[CH2:14]1)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[C:18](=O)O[CH3:18001]', '[H][C@]23CCC(=C)[C@@H](CCC1COC(OC)C1)[C@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@:50]23[CH2:27][CH2:38][C:148](=[CH2:107])[C@@H:57]([CH2:22][CH2:33][CH:39]1[CH2:72]O[CH:106](O[CH3:55])[CH2:39]1)[C@:39]2([CH3:15])[CH2:38][CH2:17][CH2:37][C@:48]3([CH3:16])[C:179](=O)O[CH3:52]', '27 29 H 14.65 -14.49 C:17 18.34 -11.40 C:18001 16.67 -16.06 C:15001 20.03 -4.54 C:19 12.46 -15.29 C:20 14.65 -10.69 O 13.94 -16.63 C:2 12.18 -12.12 C:7 17.11 -13.53 C:12 17.11 -9.26 C:11 15.88 -9.98 C:16 15.98 -7.01 C:3 12.18 -13.53 C:1 13.42 -11.40 C:6 15.88 -14.25 C:14 18.26 -7.01 O 15.74 -15.01 O 18.62 -4.54 O 16.41 -5.68 C:8 17.11 -12.12 C:18 14.37 -15.29 C:13 17.11 -7.84 C:15 17.81 -5.68 C:9 15.88 -11.40 C:5 14.65 -13.53 C:4 13.42 -14.25 C:10 14.65 -12.12 25 1 -1 2 20 2 3 17 1 4 18 1 26 5 -2 27 6 -2 7 21 2 8 13 1 8 14 1 9 15 1 9 20 1 10 11 1 10 22 1 24 11 -2 12 19 1 12 22 1 13 26 1 14 27 1 15 25 1 16 22 1 16 23 1 17 21 1 18 23 1 19 23 1 20 24 1 26 21 -1 24 27 1 25 26 1 25 27 1', '27 29 H 14.65 -14.49 C 18.34 -11.40 C 16.67 -16.06 C 20.03 -4.54 C 12.46 -15.29 C 14.65 -10.69 O 13.94 -16.63 C 12.18 -12.12 C 17.11 -13.53 C 17.11 -9.26 C 15.88 -9.98 C 15.98 -7.01 C 12.18 -13.53 C 13.42 -11.40 C 15.88 -14.25 C 18.26 -7.01 O 15.74 -15.01 O 18.62 -4.54 O 16.41 -5.68 C 17.11 -12.12 C 14.37 -15.29 C 17.11 -7.84 C 17.81 -5.68 C 15.88 -11.40 C 14.65 -13.53 C 13.42 -14.25 C 14.65 -12.12 25 1 -1 2 20 2 3 17 1 4 18 1 26 5 -2 27 6 -2 7 21 2 8 13 1 8 14 1 9 15 1 9 20 1 10 11 1 10 22 1 24 11 -2 12 19 1 12 22 1 13 26 1 14 27 1 15 25 1 16 22 1 16 23 1 17 21 1 18 23 1 19 23 1 20 24 1 26 21 -1 24 27 1 25 26 1 25 27 1', '27 29 H 14.65 -14.49 C:107 18.34 -11.40 C:52 16.67 -16.06 C:55 20.03 -4.54 C:16 12.46 -15.29 C:15 14.65 -10.69 O 13.94 -16.63 C:17 12.18 -12.12 C:38 17.11 -13.53 C:33 17.11 -9.26 C:22 15.88 -9.98 C:72 15.98 -7.01 C:37 12.18 -13.53 C:38 13.42 -11.40 C:27 15.88 -14.25 C:39 18.26 -7.01 O 15.74 -15.01 O 18.62 -4.54 O 16.41 -5.68 C:148 17.11 -12.12 C:179 14.37 -15.29 C:39 17.11 -7.84 C:106 17.81 -5.68 C:57 15.88 -11.40 C:50 14.65 -13.53 C:48 13.42 -14.25 C:39 14.65 -12.12 25 1 -1 2 20 2 3 17 1 4 18 1 26 5 -2 27 6 -2 7 21 2 8 13 1 8 14 1 9 15 1 9 20 1 10 11 1 10 22 1 24 11 -2 12 19 1 12 22 1 13 26 1 14 27 1 15 25 1 16 22 1 16 23 1 17 21 1 18 23 1 19 23 1 20 24 1 26 21 -1 24 27 1 25 26 1 25 27 1', 'C22H36O4', 364.241, 'C+C', 'ph48_1031_3a2', 3772, '', '', '1', 47, NULL, NULL),
(14822, '', '15-Methoxy-ent-labd-8(17)13-dien-18-oic acid methyl ester-16,15-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][CH:15](O[CH3:15001])O[C:16]1=O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[C:18](=O)O[CH3:18001]', '[H][C@]23CCC(=C)[C@@H](CCC1=CC(OC)OC1=O)[C@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@:50]23[CH2:27][CH2:38][C:147](=[CH2:107])[C@@H:56]([CH2:21][CH2:24][C:139]1=[CH:142][CH:102](O[CH3:60])O[C:171]1=O)[C@:39]2([CH3:15])[CH2:38][CH2:18][CH2:37][C@:48]3([CH3:17])[C:179](=O)O[CH3:52]', '28 30 H 14.65 -14.49 C:17 18.34 -11.40 C:18001 16.67 -16.06 C:15001 20.03 -4.54 C:19 12.46 -15.29 C:20 14.65 -10.69 O 14.65 -7.44 O 13.94 -16.63 C:14 18.26 -7.01 C:2 12.18 -12.12 C:12 17.11 -9.26 C:7 17.11 -13.53 C:11 15.88 -9.98 C:3 12.18 -13.53 C:1 13.42 -11.40 C:6 15.88 -14.25 O 15.74 -15.01 O 18.62 -4.54 O 16.41 -5.68 C:8 17.11 -12.12 C:16 15.98 -7.01 C:13 17.11 -7.84 C:18 14.37 -15.29 C:15 17.81 -5.68 C:9 15.88 -11.40 C:5 14.65 -13.53 C:4 13.42 -14.25 C:10 14.65 -12.12 26 1 -1 2 20 2 3 17 1 4 18 1 27 5 -2 28 6 -2 7 21 2 8 23 2 9 22 2 9 24 1 10 14 1 10 15 1 11 13 1 11 22 1 12 16 1 12 20 1 25 13 -2 14 27 1 15 28 1 16 26 1 17 23 1 18 24 1 19 21 1 19 24 1 20 25 1 21 22 1 27 23 -1 25 28 1 26 27 1 26 28 1', '28 30 H 14.65 -14.49 C 18.34 -11.40 C 16.67 -16.06 C 20.03 -4.54 C 12.46 -15.29 C 14.65 -10.69 O 14.65 -7.44 O 13.94 -16.63 C 18.26 -7.01 C 12.18 -12.12 C 17.11 -9.26 C 17.11 -13.53 C 15.88 -9.98 C 12.18 -13.53 C 13.42 -11.40 C 15.88 -14.25 O 15.74 -15.01 O 18.62 -4.54 O 16.41 -5.68 C 17.11 -12.12 C 15.98 -7.01 C 17.11 -7.84 C 14.37 -15.29 C 17.81 -5.68 C 15.88 -11.40 C 14.65 -13.53 C 13.42 -14.25 C 14.65 -12.12 26 1 -1 2 20 2 3 17 1 4 18 1 27 5 -2 28 6 -2 7 21 2 8 23 2 9 22 2 9 24 1 10 14 1 10 15 1 11 13 1 11 22 1 12 16 1 12 20 1 25 13 -2 14 27 1 15 28 1 16 26 1 17 23 1 18 24 1 19 21 1 19 24 1 20 25 1 21 22 1 27 23 -1 25 28 1 26 27 1 26 28 1', '28 30 H 14.65 -14.49 C:107 18.34 -11.40 C:52 16.67 -16.06 C:60 20.03 -4.54 C:17 12.46 -15.29 C:15 14.65 -10.69 O 14.65 -7.44 O 13.94 -16.63 C:142 18.26 -7.01 C:18 12.18 -12.12 C:24 17.11 -9.26 C:38 17.11 -13.53 C:21 15.88 -9.98 C:37 12.18 -13.53 C:38 13.42 -11.40 C:27 15.88 -14.25 O 15.74 -15.01 O 18.62 -4.54 O 16.41 -5.68 C:147 17.11 -12.12 C:171 15.98 -7.01 C:139 17.11 -7.84 C:179 14.37 -15.29 C:102 17.81 -5.68 C:56 15.88 -11.40 C:50 14.65 -13.53 C:48 13.42 -14.25 C:39 14.65 -12.12 26 1 -1 2 20 2 3 17 1 4 18 1 27 5 -2 28 6 -2 7 21 2 8 23 2 9 22 2 9 24 1 10 14 1 10 15 1 11 13 1 11 22 1 12 16 1 12 20 1 25 13 -2 14 27 1 15 28 1 16 26 1 17 23 1 18 24 1 19 21 1 19 24 1 20 25 1 21 22 1 27 23 -1 25 28 1 26 27 1 26 28 1', 'C22H32O5', 376.24, 'C', 'ph48_1031_4', 3772, '', '', '1', 47, NULL, NULL),
(14823, '', '15,16-Epoxy-ent-labd-8(17),13(16),14-trien-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[C:18](=O)O', '[H][C@]23CCC(=C)[C@@H](CCc1ccoc1)[C@]2(C)CCC[C@]3(C)C(=O)O', '[H][C@:49]23[CH2:27][CH2:38][C:148](=[CH2:107])[C@@H:56]([CH2:23][CH2:24][c:125]1[cH:111][cH:142]o[cH:138]1)[C@:39]2([CH3:15])[CH2:38][CH2:18][CH2:37][C@:47]3([CH3:16])[C:186](=O)O', '24 26 H 15.50 -13.94 C:17 19.19 -10.85 C:19 13.31 -14.74 C:20 15.50 -10.14 O 14.79 -16.08 O 16.59 -14.46 C:15 18.66 -5.12 C:14 19.11 -6.45 C:16 16.83 -6.45 C:2 13.03 -11.57 C:7 17.96 -12.98 C:12 17.96 -8.70 C:11 16.73 -9.43 C:3 13.03 -12.98 C:1 14.27 -10.85 C:6 16.73 -13.70 O 17.26 -5.12 C:8 17.96 -11.57 C:18 15.22 -14.74 C:13 17.96 -7.28 C:9 16.73 -10.85 C:5 15.50 -12.98 C:4 14.27 -13.70 C:10 15.50 -11.57 22 1 -1 2 18 2 23 3 -2 24 4 -2 5 19 2 6 19 1 7 8 2 7 17 1 8 20 1 9 17 1 9 20 2 10 14 1 10 15 1 11 16 1 11 18 1 12 13 1 12 20 1 21 13 -2 14 23 1 15 24 1 16 22 1 18 21 1 23 19 -1 21 24 1 22 23 1 22 24 1', '24 26 H 15.50 -13.94 C 19.19 -10.85 C 13.31 -14.74 C 15.50 -10.14 O 14.79 -16.08 O 16.59 -14.46 C 18.66 -5.12 C 19.11 -6.45 C 16.83 -6.45 C 13.03 -11.57 C 17.96 -12.98 C 17.96 -8.70 C 16.73 -9.43 C 13.03 -12.98 C 14.27 -10.85 C 16.73 -13.70 O 17.26 -5.12 C 17.96 -11.57 C 15.22 -14.74 C 17.96 -7.28 C 16.73 -10.85 C 15.50 -12.98 C 14.27 -13.70 C 15.50 -11.57 22 1 -1 2 18 2 23 3 -2 24 4 -2 5 19 2 6 19 1 7 8 2 7 17 1 8 20 1 9 17 1 9 20 2 10 14 1 10 15 1 11 16 1 11 18 1 12 13 1 12 20 1 21 13 -2 14 23 1 15 24 1 16 22 1 18 21 1 23 19 -1 21 24 1 22 23 1 22 24 1', '24 26 H 15.50 -13.94 C:107 19.19 -10.85 C:16 13.31 -14.74 C:15 15.50 -10.14 O 14.79 -16.08 O 16.59 -14.46 C:142 18.66 -5.12 C:111 19.11 -6.45 C:138 16.83 -6.45 C:18 13.03 -11.57 C:38 17.96 -12.98 C:24 17.96 -8.70 C:23 16.73 -9.43 C:37 13.03 -12.98 C:38 14.27 -10.85 C:27 16.73 -13.70 O 17.26 -5.12 C:148 17.96 -11.57 C:186 15.22 -14.74 C:125 17.96 -7.28 C:56 16.73 -10.85 C:49 15.50 -12.98 C:47 14.27 -13.70 C:39 15.50 -11.57 22 1 -1 2 18 2 23 3 -2 24 4 -2 5 19 2 6 19 1 7 8 2 7 17 1 8 20 1 9 17 1 9 20 2 10 14 1 10 15 1 11 16 1 11 18 1 12 13 1 12 20 1 21 13 -2 14 23 1 15 24 1 16 22 1 18 21 1 23 19 -1 21 24 1 22 23 1 22 24 1', 'C20H28O3', 316.22, 'C', 'ph48_1031_5', 3772, '', '', '1', 47, NULL, NULL),
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(14837, 'Parvisoliside', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]12[C@H:6](O)[C@:7]5(O)O[CH2:20][C@:10]1([C@@H:1](O)[CH2:2][CH2:3][C@@:4]2([CH3:18])[CH3:19])[C@:9]4([H])[C@@H:11](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[CH2:12][C@H:13]6[CH2:14][C@@:8]45[C@H:15](O)[C:16]6=[CH2:17]', '[H][C@]12[C@H](O)[C@]5(O)OC[C@]1([C@@H](O)CC[C@@]2(C)C)[C@]4([H])[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]6C[C@@]45[C@H](O)C6=C', '[H][C@:59]12[C@H:75](O)[C@:97]5(O)O[CH2:65][C@:42]1([C@@H:75](O)[CH2:31][CH2:39][C@@:34]2([CH3:33])[CH3:22])[C@:49]4([H])[C@@H:71](O[C@@H:105]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]3O)[CH2:41][C@H:38]6[CH2:29][C@@:53]45[C@H:76](O)[C:161]6=[CH2:106]', '39 44 H 16.04 -16.20 H 17.25 -14.11 C:17 22.07 -12.49 C:18 15.77 -16.94 C:19 13.86 -16.85 O 12.38 -7.63 O 14.84 -11.77 O 18.43 -6.84 O 16.04 -5.51 O 18.43 -9.64 O 20.52 -15.40 O 17.25 -17.29 O 19.61 -15.88 C:106 13.58 -6.92 C:2 13.66 -13.85 C:3 13.66 -15.23 C:20 16.04 -12.49 C:12 18.43 -11.10 C:14 19.61 -13.16 O 17.09 -14.81 O 14.84 -9.01 O 16.04 -11.10 C:16 20.73 -12.76 C:1 14.84 -13.16 C:13 19.61 -11.77 C:103 17.25 -7.63 C:104 16.04 -6.92 C:102 17.25 -9.01 C:105 14.84 -7.63 C:15 19.94 -14.11 C:101 16.04 -9.70 C:11 17.25 -11.77 C:6 17.25 -15.94 C:4 14.84 -15.94 C:5 16.04 -15.23 C:9 17.25 -13.16 C:7 18.43 -15.23 C:10 16.04 -13.85 C:8 18.43 -13.85 35 1 -1 36 2 -1 3 23 2 34 4 -1 34 5 -2 6 14 1 24 7 -2 26 8 -2 27 9 -1 28 10 -1 30 11 -1 33 12 -1 37 13 -1 29 14 -2 15 16 1 15 24 1 16 34 1 17 20 1 38 17 -2 18 25 1 18 32 1 25 19 -2 39 19 -2 20 37 1 21 29 1 21 31 1 31 22 -2 32 22 -1 23 25 1 23 30 1 24 38 1 26 27 1 26 28 1 27 29 1 28 31 1 30 39 1 32 36 1 33 35 1 33 37 1 34 35 1 35 38 1 36 38 1 36 39 1 37 39 1', '39 44 H 16.04 -16.20 H 17.25 -14.11 C 22.07 -12.49 C 15.77 -16.94 C 13.86 -16.85 O 12.38 -7.63 O 14.84 -11.77 O 18.43 -6.84 O 16.04 -5.51 O 18.43 -9.64 O 20.52 -15.40 O 17.25 -17.29 O 19.61 -15.88 C 13.58 -6.92 C 13.66 -13.85 C 13.66 -15.23 C 16.04 -12.49 C 18.43 -11.10 C 19.61 -13.16 O 17.09 -14.81 O 14.84 -9.01 O 16.04 -11.10 C 20.73 -12.76 C 14.84 -13.16 C 19.61 -11.77 C 17.25 -7.63 C 16.04 -6.92 C 17.25 -9.01 C 14.84 -7.63 C 19.94 -14.11 C 16.04 -9.70 C 17.25 -11.77 C 17.25 -15.94 C 14.84 -15.94 C 16.04 -15.23 C 17.25 -13.16 C 18.43 -15.23 C 16.04 -13.85 C 18.43 -13.85 35 1 -1 36 2 -1 3 23 2 34 4 -1 34 5 -2 6 14 1 24 7 -2 26 8 -2 27 9 -1 28 10 -1 30 11 -1 33 12 -1 37 13 -1 29 14 -2 15 16 1 15 24 1 16 34 1 17 20 1 38 17 -2 18 25 1 18 32 1 25 19 -2 39 19 -2 20 37 1 21 29 1 21 31 1 31 22 -2 32 22 -1 23 25 1 23 30 1 24 38 1 26 27 1 26 28 1 27 29 1 28 31 1 30 39 1 32 36 1 33 35 1 33 37 1 34 35 1 35 38 1 36 38 1 36 39 1 37 39 1', '39 44 H 16.04 -16.20 H 17.25 -14.11 C:106 22.07 -12.49 C:33 15.77 -16.94 C:22 13.86 -16.85 O 12.38 -7.63 O 14.84 -11.77 O 18.43 -6.84 O 16.04 -5.51 O 18.43 -9.64 O 20.52 -15.40 O 17.25 -17.29 O 19.61 -15.88 C:63 13.58 -6.92 C:31 13.66 -13.85 C:39 13.66 -15.23 C:65 16.04 -12.49 C:41 18.43 -11.10 C:29 19.61 -13.16 O 17.09 -14.81 O 14.84 -9.01 O 16.04 -11.10 C:161 20.73 -12.76 C:75 14.84 -13.16 C:38 19.61 -11.77 C:79 17.25 -7.63 C:72 16.04 -6.92 C:75 17.25 -9.01 C:78 14.84 -7.63 C:76 19.94 -14.11 C:105 16.04 -9.70 C:71 17.25 -11.77 C:75 17.25 -15.94 C:34 14.84 -15.94 C:59 16.04 -15.23 C:49 17.25 -13.16 C:97 18.43 -15.23 C:42 16.04 -13.85 C:53 18.43 -13.85 35 1 -1 36 2 -1 3 23 2 34 4 -1 34 5 -2 6 14 1 24 7 -2 26 8 -2 27 9 -1 28 10 -1 30 11 -1 33 12 -1 37 13 -1 29 14 -2 15 16 1 15 24 1 16 34 1 17 20 1 38 17 -2 18 25 1 18 32 1 25 19 -2 39 19 -2 20 37 1 21 29 1 21 31 1 31 22 -2 32 22 -1 23 25 1 23 30 1 24 38 1 26 27 1 26 28 1 27 29 1 28 31 1 30 39 1 32 36 1 33 35 1 33 37 1 34 35 1 35 38 1 36 38 1 36 39 1 37 39 1', 'C26H40O11', 528.287, 'C', 'ph49_2433_4', 3774, '', '', '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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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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(14860, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][CH2:13][CH3:16])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(=O)[C@H](CCCC)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:55]12[CH2:24][CH2:43][C:211](=O)[C@H:65]([CH2:21][CH2:34][CH2:23][CH3:14])[C@@:43]1([CH3:15])[CH2:39][CH2:19][CH2:42][C@@:34]2([CH3:22])[CH3:34]', '19 20 H 16.66 -14.68 C:16 20.34 -7.31 C:19 14.48 -15.48 C:18 16.38 -15.48 C:20 16.66 -10.87 O 20.34 -11.59 C:13 19.13 -8.01 C:12 19.13 -9.44 C:2 14.20 -12.31 C:7 19.13 -13.73 C:11 17.89 -10.14 C:3 14.20 -13.73 C:1 15.43 -11.59 C:6 17.89 -14.44 C:8 19.13 -12.31 C:9 17.89 -11.59 C:4 15.43 -14.44 C:5 16.66 -13.73 C:10 16.66 -12.31 18 1 -2 2 7 1 17 3 -1 17 4 -2 19 5 -1 6 15 2 7 8 1 8 11 1 9 12 1 9 13 1 10 14 1 10 15 1 16 11 -1 12 17 1 13 19 1 14 18 1 15 16 1 16 19 1 17 18 1 18 19 1', '19 20 H 16.66 -14.68 C 20.34 -7.31 C 14.48 -15.48 C 16.38 -15.48 C 16.66 -10.87 O 20.34 -11.59 C 19.13 -8.01 C 19.13 -9.44 C 14.20 -12.31 C 19.13 -13.73 C 17.89 -10.14 C 14.20 -13.73 C 15.43 -11.59 C 17.89 -14.44 C 19.13 -12.31 C 17.89 -11.59 C 15.43 -14.44 C 16.66 -13.73 C 16.66 -12.31 18 1 -2 2 7 1 17 3 -1 17 4 -2 19 5 -1 6 15 2 7 8 1 8 11 1 9 12 1 9 13 1 10 14 1 10 15 1 16 11 -1 12 17 1 13 19 1 14 18 1 15 16 1 16 19 1 17 18 1 18 19 1', '19 20 H 16.66 -14.68 C:14 20.34 -7.31 C:22 14.48 -15.48 C:34 16.38 -15.48 C:15 16.66 -10.87 O 20.34 -11.59 C:23 19.13 -8.01 C:34 19.13 -9.44 C:19 14.20 -12.31 C:43 19.13 -13.73 C:21 17.89 -10.14 C:42 14.20 -13.73 C:39 15.43 -11.59 C:24 17.89 -14.44 C:211 19.13 -12.31 C:65 17.89 -11.59 C:34 15.43 -14.44 C:55 16.66 -13.73 C:43 16.66 -12.31 18 1 -2 2 7 1 17 3 -1 17 4 -2 19 5 -1 6 15 2 7 8 1 8 11 1 9 12 1 9 13 1 10 14 1 10 15 1 16 11 -1 12 17 1 13 19 1 14 18 1 15 16 1 16 19 1 17 18 1 18 19 1', 'C17H30O', 250.189, 'C', 'np84_592_15b', 3775, '', '', '1', 47, NULL, NULL),
(14861, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13](=O)O[CH3:13001])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=O)[C@H](CCC(=O)OC)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:54]12[CH2:24][CH2:43][C:212](=O)[C@H:63]([CH2:17][CH2:33][C:173](=O)O[CH3:51])[C@@:43]1([CH3:15])[CH2:39][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '21 22 H 16.63 -15.42 C:13001 20.30 -6.67 C:18 16.35 -16.23 C:19 14.44 -16.23 C:20 16.63 -11.63 O 17.85 -8.07 O 20.30 -12.35 C:2 14.16 -13.06 C:12 19.10 -10.20 C:7 19.10 -14.47 C:11 17.85 -10.90 C:3 14.16 -14.47 C:1 15.40 -12.35 C:6 17.85 -15.18 O 20.30 -8.07 C:13 19.10 -8.79 C:8 19.10 -13.06 C:9 17.85 -12.35 C:4 15.40 -15.18 C:5 16.63 -14.47 C:10 16.63 -13.06 20 1 -2 2 15 1 19 3 -2 19 4 -1 21 5 -1 6 16 2 7 17 2 8 12 1 8 13 1 9 11 1 9 16 1 10 14 1 10 17 1 18 11 -1 12 19 1 13 21 1 14 20 1 15 16 1 17 18 1 18 21 1 19 20 1 20 21 1', '21 22 H 16.63 -15.42 C 20.30 -6.67 C 16.35 -16.23 C 14.44 -16.23 C 16.63 -11.63 O 17.85 -8.07 O 20.30 -12.35 C 14.16 -13.06 C 19.10 -10.20 C 19.10 -14.47 C 17.85 -10.90 C 14.16 -14.47 C 15.40 -12.35 C 17.85 -15.18 O 20.30 -8.07 C 19.10 -8.79 C 19.10 -13.06 C 17.85 -12.35 C 15.40 -15.18 C 16.63 -14.47 C 16.63 -13.06 20 1 -2 2 15 1 19 3 -2 19 4 -1 21 5 -1 6 16 2 7 17 2 8 12 1 8 13 1 9 11 1 9 16 1 10 14 1 10 17 1 18 11 -1 12 19 1 13 21 1 14 20 1 15 16 1 17 18 1 18 21 1 19 20 1 20 21 1', '21 22 H 16.63 -15.42 C:51 20.30 -6.67 C:34 16.35 -16.23 C:22 14.44 -16.23 C:15 16.63 -11.63 O 17.85 -8.07 O 20.30 -12.35 C:19 14.16 -13.06 C:33 19.10 -10.20 C:43 19.10 -14.47 C:17 17.85 -10.90 C:42 14.16 -14.47 C:39 15.40 -12.35 C:24 17.85 -15.18 O 20.30 -8.07 C:173 19.10 -8.79 C:212 19.10 -13.06 C:63 17.85 -12.35 C:34 15.40 -15.18 C:54 16.63 -14.47 C:43 16.63 -13.06 20 1 -2 2 15 1 19 3 -2 19 4 -1 21 5 -1 6 16 2 7 17 2 8 12 1 8 13 1 9 11 1 9 16 1 10 14 1 10 17 1 18 11 -1 12 19 1 13 21 1 14 20 1 15 16 1 17 18 1 18 21 1 19 20 1 20 21 1', 'C17H28O3', 280.188, 'C', 'np84_592_15c', 3775, '', '', '1', 47, NULL, NULL),
(14862, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@@](C)(O)[C@H](CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:21][CH2:44][C@@:73]([CH3:25])(O)[C@H:59]([CH2:28][CH2:64]O)[C@@:39]1([CH3:15])[CH2:40][CH2:18][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '19 20 H 16.55 -14.35 C:19 14.36 -15.15 C:18 16.27 -15.15 C:17 19.75 -10.76 C:20 16.55 -10.53 O 19.03 -7.73 O 20.43 -11.97 C:12 19.03 -9.13 C:2 14.08 -11.97 C:11 17.79 -9.81 C:3 14.08 -13.39 C:1 15.32 -11.24 C:7 19.03 -13.39 C:6 17.79 -14.11 C:9 17.79 -11.24 C:4 15.32 -14.11 C:8 19.03 -11.97 C:5 16.55 -13.39 C:10 16.55 -11.97 18 1 -2 16 2 -1 16 3 -2 17 4 -1 19 5 -1 6 8 1 17 7 -2 8 10 1 9 11 1 9 12 1 15 10 -1 11 16 1 12 19 1 13 14 1 13 17 1 14 18 1 15 17 1 15 19 1 16 18 1 18 19 1', '19 20 H 16.55 -14.35 C 14.36 -15.15 C 16.27 -15.15 C 19.75 -10.76 C 16.55 -10.53 O 19.03 -7.73 O 20.43 -11.97 C 19.03 -9.13 C 14.08 -11.97 C 17.79 -9.81 C 14.08 -13.39 C 15.32 -11.24 C 19.03 -13.39 C 17.79 -14.11 C 17.79 -11.24 C 15.32 -14.11 C 19.03 -11.97 C 16.55 -13.39 C 16.55 -11.97 18 1 -2 16 2 -1 16 3 -2 17 4 -1 19 5 -1 6 8 1 17 7 -2 8 10 1 9 11 1 9 12 1 15 10 -1 11 16 1 12 19 1 13 14 1 13 17 1 14 18 1 15 17 1 15 19 1 16 18 1 18 19 1', '19 20 H 16.55 -14.35 C:22 14.36 -15.15 C:33 16.27 -15.15 C:25 19.75 -10.76 C:15 16.55 -10.53 O 19.03 -7.73 O 20.43 -11.97 C:64 19.03 -9.13 C:18 14.08 -11.97 C:28 17.79 -9.81 C:42 14.08 -13.39 C:40 15.32 -11.24 C:44 19.03 -13.39 C:21 17.79 -14.11 C:59 17.79 -11.24 C:33 15.32 -14.11 C:73 19.03 -11.97 C:56 16.55 -13.39 C:39 16.55 -11.97 18 1 -2 16 2 -1 16 3 -2 17 4 -1 19 5 -1 6 8 1 17 7 -2 8 10 1 9 11 1 9 12 1 15 10 -1 11 16 1 12 19 1 13 14 1 13 17 1 14 18 1 15 17 1 15 19 1 16 18 1 18 19 1', 'C16H30O2', 254.178, 'C', 'np84_592_16b', 3775, '', '', '1', 47, NULL, NULL),
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