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
(6573, '', '8(17),12(E)-Labdadien-15,16-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH2:16]O)[CH2:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=C)[C@H](CC=C(CO)CCO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:55]12[CH2:24][CH2:38][C:148](=[CH2:107])[C@H:57]([CH2:22][CH:132]=[C:135]([CH2:69]O)[CH2:33][CH2:62]O)[C@@:40]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '23 24 H 14.96 -15.13 C:17 18.64 -12.06 C:18 14.68 -15.94 C:19 12.78 -15.93 C:20 14.96 -11.32 O 15.03 -9.86 O 18.64 -6.33 C:12 17.42 -9.89 C:15 15.03 -8.46 C:16 18.64 -7.75 C:2 12.49 -12.74 C:11 16.19 -10.58 C:14 16.19 -7.75 C:7 17.42 -14.18 C:3 12.49 -14.18 C:1 13.73 -12.03 C:6 16.19 -14.89 C:8 17.42 -12.74 C:13 17.42 -8.47 C:9 16.19 -12.03 C:4 13.73 -14.89 C:5 14.96 -14.18 C:10 14.96 -12.74 22 1 -2 2 18 2 21 3 -2 21 4 -1 23 5 -1 6 9 1 7 10 1 8 12 1 8 19 2 9 13 1 10 19 1 11 15 1 11 16 1 20 12 -1 13 19 1 14 17 1 14 18 1 15 21 1 16 23 1 17 22 1 18 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.96 -15.13 C 18.64 -12.06 C 14.68 -15.94 C 12.78 -15.93 C 14.96 -11.32 O 15.03 -9.86 O 18.64 -6.33 C 17.42 -9.89 C 15.03 -8.46 C 18.64 -7.75 C 12.49 -12.74 C 16.19 -10.58 C 16.19 -7.75 C 17.42 -14.18 C 12.49 -14.18 C 13.73 -12.03 C 16.19 -14.89 C 17.42 -12.74 C 17.42 -8.47 C 16.19 -12.03 C 13.73 -14.89 C 14.96 -14.18 C 14.96 -12.74 22 1 -2 2 18 2 21 3 -2 21 4 -1 23 5 -1 6 9 1 7 10 1 8 12 1 8 19 2 9 13 1 10 19 1 11 15 1 11 16 1 20 12 -1 13 19 1 14 17 1 14 18 1 15 21 1 16 23 1 17 22 1 18 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.96 -15.13 C:107 18.64 -12.06 C:34 14.68 -15.94 C:22 12.78 -15.93 C:14 14.96 -11.32 O 15.03 -9.86 O 18.64 -6.33 C:132 17.42 -9.89 C:62 15.03 -8.46 C:69 18.64 -7.75 C:19 12.49 -12.74 C:22 16.19 -10.58 C:33 16.19 -7.75 C:38 17.42 -14.18 C:42 12.49 -14.18 C:39 13.73 -12.03 C:24 16.19 -14.89 C:148 17.42 -12.74 C:135 17.42 -8.47 C:57 16.19 -12.03 C:34 13.73 -14.89 C:55 14.96 -14.18 C:40 14.96 -12.74 22 1 -2 2 18 2 21 3 -2 21 4 -1 23 5 -1 6 9 1 7 10 1 8 12 1 8 19 2 9 13 1 10 19 1 11 15 1 11 16 1 20 12 -1 13 19 1 14 17 1 14 18 1 15 21 1 16 23 1 17 22 1 18 20 1 20 23 1 21 22 1 22 23 1', 'C20H34O2', 306.221, 'C', 'np97_1287_7', 2590, '', '', '1', 1, NULL, NULL),
(6574, '', '8(17),12(E)-Labdadien-11,15,16-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@:9]([H])([C@@H:11](O)[CH:12]=[C:13]([CH2:16]O)[CH2:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=C)[C@]([H])([C@@H](O)C=C(CO)CCO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:24][CH2:39][C:147](=[CH2:110])[C@:61]([H])([C@@H:65](O)[CH:133]=[C:138]([CH2:67]O)[CH2:31][CH2:60]O)[C@@:40]1([CH3:17])[CH2:40][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '25 26 H 14.93 -15.16 H 17.09 -11.43 C:17 18.65 -12.07 C:18 14.65 -15.98 C:19 12.73 -15.97 C:20 14.93 -11.32 O 13.79 -7.72 O 18.65 -6.28 O 14.98 -9.83 C:12 17.41 -9.87 C:15 15.00 -8.43 C:16 18.65 -7.71 C:2 12.44 -12.76 C:14 16.17 -7.71 C:7 17.41 -14.20 C:3 12.44 -14.20 C:1 13.69 -12.04 C:6 16.17 -14.92 C:8 17.41 -12.76 C:13 17.41 -8.44 C:11 16.17 -10.57 C:4 13.69 -14.92 C:5 14.93 -14.20 C:9 16.17 -12.04 C:10 14.93 -12.76 23 1 -2 24 2 -2 3 19 2 22 4 -2 22 5 -1 25 6 -1 7 11 1 8 12 1 21 9 -1 10 20 2 10 21 1 11 14 1 12 20 1 13 16 1 13 17 1 14 20 1 15 18 1 15 19 1 16 22 1 17 25 1 18 23 1 19 24 1 21 24 1 22 23 1 23 25 1 24 25 1', '25 26 H 14.93 -15.16 H 17.09 -11.43 C 18.65 -12.07 C 14.65 -15.98 C 12.73 -15.97 C 14.93 -11.32 O 13.79 -7.72 O 18.65 -6.28 O 14.98 -9.83 C 17.41 -9.87 C 15.00 -8.43 C 18.65 -7.71 C 12.44 -12.76 C 16.17 -7.71 C 17.41 -14.20 C 12.44 -14.20 C 13.69 -12.04 C 16.17 -14.92 C 17.41 -12.76 C 17.41 -8.44 C 16.17 -10.57 C 13.69 -14.92 C 14.93 -14.20 C 16.17 -12.04 C 14.93 -12.76 23 1 -2 24 2 -2 3 19 2 22 4 -2 22 5 -1 25 6 -1 7 11 1 8 12 1 21 9 -1 10 20 2 10 21 1 11 14 1 12 20 1 13 16 1 13 17 1 14 20 1 15 18 1 15 19 1 16 22 1 17 25 1 18 23 1 19 24 1 21 24 1 22 23 1 23 25 1 24 25 1', '25 26 H 14.93 -15.16 H 17.09 -11.43 C:110 18.65 -12.07 C:34 14.65 -15.98 C:22 12.73 -15.97 C:17 14.93 -11.32 O 13.79 -7.72 O 18.65 -6.28 O 14.98 -9.83 C:133 17.41 -9.87 C:60 15.00 -8.43 C:67 18.65 -7.71 C:19 12.44 -12.76 C:31 16.17 -7.71 C:39 17.41 -14.20 C:42 12.44 -14.20 C:40 13.69 -12.04 C:24 16.17 -14.92 C:147 17.41 -12.76 C:138 17.41 -8.44 C:65 16.17 -10.57 C:34 13.69 -14.92 C:56 14.93 -14.20 C:61 16.17 -12.04 C:40 14.93 -12.76 23 1 -2 24 2 -2 3 19 2 22 4 -2 22 5 -1 25 6 -1 7 11 1 8 12 1 21 9 -1 10 20 2 10 21 1 11 14 1 12 20 1 13 16 1 13 17 1 14 20 1 15 18 1 15 19 1 16 22 1 17 25 1 18 23 1 19 24 1 21 24 1 22 23 1 23 25 1 24 25 1', 'C20H34O3', 322.228, 'C', 'np97_1287_5', 2590, '', '', '1', 1, NULL, NULL),
(6575, 'ent-Sclareol', 'ent-(13R)-labd-14-ene-8,13-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH2:7][C@:8]([CH3:17])(O)[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])[CH3:18]', '[H][C@]12CC[C@](C)(O)[C@@H](CC[C@](C)(O)C=C)[C@]1(C)CCC[C@]2(C)C', '[H][C@:56]12[CH2:21][CH2:44][C@:75]([CH3:24])(O)[C@@H:62]([CH2:19][CH2:45][C@:74]([CH3:27])(O)[CH:146]=[CH2:111])[C@:39]1([CH3:15])[CH2:40][CH2:18][CH2:42][C@:33]2([CH3:22])[CH3:33]', '23 24 H 14.94 -15.11 C:15 18.62 -6.33 C:16 16.17 -7.74 C:19 12.76 -15.91 C:18 14.66 -15.92 C:17 18.11 -11.52 C:20 14.94 -11.30 O 16.20 -9.16 O 18.63 -13.40 C:14 18.62 -7.74 C:2 12.48 -12.74 C:11 16.17 -10.57 C:3 12.48 -14.16 C:12 17.41 -9.87 C:1 13.71 -12.02 C:7 17.41 -14.16 C:6 16.17 -14.87 C:9 16.17 -12.02 C:13 17.41 -8.45 C:4 13.71 -14.87 C:8 17.41 -12.74 C:5 14.94 -14.16 C:10 14.94 -12.74 22 1 -1 2 10 2 19 3 -1 20 4 -2 20 5 -1 21 6 -2 23 7 -2 19 8 -2 21 9 -1 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', '23 24 H 14.94 -15.11 C 18.62 -6.33 C 16.17 -7.74 C 12.76 -15.91 C 14.66 -15.92 C 18.11 -11.52 C 14.94 -11.30 O 16.20 -9.16 O 18.63 -13.40 C 18.62 -7.74 C 12.48 -12.74 C 16.17 -10.57 C 12.48 -14.16 C 17.41 -9.87 C 13.71 -12.02 C 17.41 -14.16 C 16.17 -14.87 C 16.17 -12.02 C 17.41 -8.45 C 13.71 -14.87 C 17.41 -12.74 C 14.94 -14.16 C 14.94 -12.74 22 1 -1 2 10 2 19 3 -1 20 4 -2 20 5 -1 21 6 -2 23 7 -2 19 8 -2 21 9 -1 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', '23 24 H 14.94 -15.11 C:111 18.62 -6.33 C:27 16.17 -7.74 C:22 12.76 -15.91 C:33 14.66 -15.92 C:24 18.11 -11.52 C:15 14.94 -11.30 O 16.20 -9.16 O 18.63 -13.40 C:146 18.62 -7.74 C:18 12.48 -12.74 C:19 16.17 -10.57 C:42 12.48 -14.16 C:45 17.41 -9.87 C:40 13.71 -12.02 C:44 17.41 -14.16 C:21 16.17 -14.87 C:62 16.17 -12.02 C:74 17.41 -8.45 C:33 13.71 -14.87 C:75 17.41 -12.74 C:56 14.94 -14.16 C:39 14.94 -12.74 22 1 -1 2 10 2 19 3 -1 20 4 -2 20 5 -1 21 6 -2 23 7 -2 19 8 -2 21 9 -1 10 19 1 11 13 1 11 15 1 12 14 1 18 12 -2 13 20 1 14 19 1 15 23 1 16 17 1 16 21 1 17 22 1 18 21 1 18 23 1 20 22 1 22 23 1', 'C20H36O2', 308.221, 'C', 'ph35_195_1', 2293, '', '', '1', 1, NULL, NULL),
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(6587, '', 'ent-3b,6a-diacetoxy-13-epi-manoyl oxide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C=C)O[C@@]1(C)C[C@@H](OC(C)=O)[C@]3([H])[C@](C)(C)[C@H](OC(C)=O)CC[C@@]23C', '[H][C@@:52]12[CH2:16][CH2:35][C@:73]([CH3:33])([CH:147]=[CH2:110])O[C@@:75]1([CH3:25])[CH2:50][C@@H:70](O[C:170]([CH3:21])=O)[C@:58]3([H])[C@:38]([CH3:30])([CH3:17])[C@H:80](O[C:171]([CH3:22])=O)[CH2:23][CH2:37][C@@:38]23[CH3:11]', '31 33 H 16.78 -10.35 H 15.51 -12.47 C:15 21.70 -7.87 C:3002 9.39 -12.23 C:6002 17.90 -15.76 C:16 19.24 -6.48 C:18 15.23 -13.30 C:19 13.31 -13.29 C:17 18.03 -8.66 C:20 15.51 -8.62 O 10.59 -10.12 O 19.13 -13.69 C:14 20.45 -7.18 C:2 13.03 -10.07 C:12 18.03 -7.19 C:11 16.75 -7.91 C:1 14.26 -9.34 C:7 18.03 -11.51 O 11.82 -12.21 O 16.71 -13.63 O 19.23 -9.34 C:3001 10.60 -11.52 C:6001 17.90 -14.36 C:3 13.03 -11.51 C:6 16.75 -12.23 C:13 19.23 -7.91 C:4 14.26 -12.23 C:9 16.75 -9.34 C:8 18.03 -10.07 C:5 15.51 -11.51 C:10 15.51 -10.07 28 1 -1 30 2 -1 3 13 2 4 22 1 5 23 1 26 6 -1 27 7 -1 27 8 -2 29 9 -2 31 10 -2 11 22 2 12 23 2 26 13 -2 14 17 1 14 24 1 15 16 1 15 26 1 16 28 1 17 31 1 18 25 1 18 29 1 19 22 1 24 19 -2 20 23 1 25 20 -1 21 26 1 21 29 1 24 27 1 25 30 1 27 30 1 28 29 1 28 31 1 30 31 1', '31 33 H 16.78 -10.35 H 15.51 -12.47 C 21.70 -7.87 C 9.39 -12.23 C 17.90 -15.76 C 19.24 -6.48 C 15.23 -13.30 C 13.31 -13.29 C 18.03 -8.66 C 15.51 -8.62 O 10.59 -10.12 O 19.13 -13.69 C 20.45 -7.18 C 13.03 -10.07 C 18.03 -7.19 C 16.75 -7.91 C 14.26 -9.34 C 18.03 -11.51 O 11.82 -12.21 O 16.71 -13.63 O 19.23 -9.34 C 10.60 -11.52 C 17.90 -14.36 C 13.03 -11.51 C 16.75 -12.23 C 19.23 -7.91 C 14.26 -12.23 C 16.75 -9.34 C 18.03 -10.07 C 15.51 -11.51 C 15.51 -10.07 28 1 -1 30 2 -1 3 13 2 4 22 1 5 23 1 26 6 -1 27 7 -1 27 8 -2 29 9 -2 31 10 -2 11 22 2 12 23 2 26 13 -2 14 17 1 14 24 1 15 16 1 15 26 1 16 28 1 17 31 1 18 25 1 18 29 1 19 22 1 24 19 -2 20 23 1 25 20 -1 21 26 1 21 29 1 24 27 1 25 30 1 27 30 1 28 29 1 28 31 1 30 31 1', '31 33 H 16.78 -10.35 H 15.51 -12.47 C:110 21.70 -7.87 C:22 9.39 -12.23 C:21 17.90 -15.76 C:33 19.24 -6.48 C:30 15.23 -13.30 C:17 13.31 -13.29 C:25 18.03 -8.66 C:11 15.51 -8.62 O 10.59 -10.12 O 19.13 -13.69 C:147 20.45 -7.18 C:23 13.03 -10.07 C:35 18.03 -7.19 C:16 16.75 -7.91 C:37 14.26 -9.34 C:50 18.03 -11.51 O 11.82 -12.21 O 16.71 -13.63 O 19.23 -9.34 C:171 10.60 -11.52 C:170 17.90 -14.36 C:80 13.03 -11.51 C:70 16.75 -12.23 C:73 19.23 -7.91 C:38 14.26 -12.23 C:52 16.75 -9.34 C:75 18.03 -10.07 C:58 15.51 -11.51 C:38 15.51 -10.07 28 1 -1 30 2 -1 3 13 2 4 22 1 5 23 1 26 6 -1 27 7 -1 27 8 -2 29 9 -2 31 10 -2 11 22 2 12 23 2 26 13 -2 14 17 1 14 24 1 15 16 1 15 26 1 16 28 1 17 31 1 18 25 1 18 29 1 19 22 1 24 19 -2 20 23 1 25 20 -1 21 26 1 21 29 1 24 27 1 25 30 1 27 30 1 28 29 1 28 31 1 30 31 1', 'C24H38O5', 406.27, 'C', 'ph35_645_8', 705, '', '', '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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(6589, '', 'ent-3b,6a-dihydroxy-13-epi-manoyl oxide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@@H:6](O)[C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C=C)O[C@@]1(C)C[C@@H](O)[C@]3([H])[C@@](C)(C)[C@H](O)CC[C@@]23C', '[H][C@@:58]12[CH2:16][CH2:35][C@:13]([CH3:33])([CH:147]=[CH2:110])O[C@@:75]1([CH3:26])[CH2:55][C@@H:69](O)[C@:61]3([H])[C@@:39]([CH3:15])([CH3:31])[C@H:79](O)[CH2:27][CH2:38][C@@:38]23[CH3:17]', '25 27 H 15.59 -11.42 H 14.32 -13.53 C:15 20.52 -8.94 C:19 12.13 -14.35 C:18 14.04 -14.36 C:16 18.06 -7.55 C:17 16.85 -9.73 C:20 14.32 -9.69 O 10.64 -13.27 O 15.56 -14.69 C:14 19.27 -8.25 C:2 11.85 -11.14 C:12 16.85 -8.26 C:1 13.07 -10.41 C:11 15.56 -8.98 C:7 16.85 -12.58 O 18.05 -10.41 C:3 11.85 -12.58 C:6 15.56 -13.29 C:4 13.07 -13.29 C:13 18.05 -8.98 C:9 15.56 -10.41 C:5 14.32 -12.58 C:8 16.85 -11.14 C:10 14.32 -11.14 22 1 -1 23 2 -1 3 11 2 20 4 -2 20 5 -1 21 6 -1 24 7 -2 25 8 -2 18 9 -2 19 10 -1 21 11 -2 12 14 1 12 18 1 13 15 1 13 21 1 14 25 1 15 22 1 16 19 1 16 24 1 17 21 1 17 24 1 18 20 1 19 23 1 20 23 1 22 24 1 22 25 1 23 25 1', '25 27 H 15.59 -11.42 H 14.32 -13.53 C 20.52 -8.94 C 12.13 -14.35 C 14.04 -14.36 C 18.06 -7.55 C 16.85 -9.73 C 14.32 -9.69 O 10.64 -13.27 O 15.56 -14.69 C 19.27 -8.25 C 11.85 -11.14 C 16.85 -8.26 C 13.07 -10.41 C 15.56 -8.98 C 16.85 -12.58 O 18.05 -10.41 C 11.85 -12.58 C 15.56 -13.29 C 13.07 -13.29 C 18.05 -8.98 C 15.56 -10.41 C 14.32 -12.58 C 16.85 -11.14 C 14.32 -11.14 22 1 -1 23 2 -1 3 11 2 20 4 -2 20 5 -1 21 6 -1 24 7 -2 25 8 -2 18 9 -2 19 10 -1 21 11 -2 12 14 1 12 18 1 13 15 1 13 21 1 14 25 1 15 22 1 16 19 1 16 24 1 17 21 1 17 24 1 18 20 1 19 23 1 20 23 1 22 24 1 22 25 1 23 25 1', '25 27 H 15.59 -11.42 H 14.32 -13.53 C:110 20.52 -8.94 C:15 12.13 -14.35 C:31 14.04 -14.36 C:33 18.06 -7.55 C:26 16.85 -9.73 C:17 14.32 -9.69 O 10.64 -13.27 O 15.56 -14.69 C:147 19.27 -8.25 C:27 11.85 -11.14 C:35 16.85 -8.26 C:38 13.07 -10.41 C:16 15.56 -8.98 C:55 16.85 -12.58 O 18.05 -10.41 C:79 11.85 -12.58 C:69 15.56 -13.29 C:39 13.07 -13.29 C:13 18.05 -8.98 C:58 15.56 -10.41 C:61 14.32 -12.58 C:75 16.85 -11.14 C:38 14.32 -11.14 22 1 -1 23 2 -1 3 11 2 20 4 -2 20 5 -1 21 6 -1 24 7 -2 25 8 -2 18 9 -2 19 10 -1 21 11 -2 12 14 1 12 18 1 13 15 1 13 21 1 14 25 1 15 22 1 16 19 1 16 24 1 17 21 1 17 24 1 18 20 1 19 23 1 20 23 1 22 24 1 22 25 1 23 25 1', 'C20H34O3', 322.228, 'C', 'ph35_645_10', 705, '', '', '1', 1, NULL, NULL),
(6590, '', 'ent-3,6-diketo-13-epi- manoyl  oxide  ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C:6](=O)[C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[C:3](=O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C=C)O[C@@]1(C)CC(=O)[C@]3([H])[C@](C)(C)C(=O)CC[C@@]23C', '[H][C@@:58]12[CH2:17][CH2:35][C@:75]([CH3:33])([CH:147]=[CH2:111])O[C@@:72]1([CH3:25])[CH2:60][C:207](=O)[C@:66]3([H])[C@:47]([CH3:24])([CH3:22])[C:214](=O)[CH2:34][CH2:40][C@@:40]23[CH3:16]', '25 27 H 15.60 -11.42 H 14.33 -13.54 C:15 20.52 -8.94 C:18 14.05 -14.37 C:19 12.13 -14.36 C:16 18.06 -7.55 C:17 16.85 -9.73 C:20 14.33 -9.69 O 10.64 -13.28 O 15.57 -14.70 C:14 19.27 -8.25 C:2 11.85 -11.14 C:12 16.85 -8.26 C:1 13.08 -10.41 C:11 15.57 -8.98 C:7 16.85 -12.58 O 18.05 -10.41 C:3 11.85 -12.58 C:6 15.57 -13.30 C:4 13.08 -13.30 C:13 18.05 -8.98 C:9 15.57 -10.41 C:5 14.33 -12.58 C:8 16.85 -11.14 C:10 14.33 -11.14 22 1 -1 23 2 -1 3 11 2 20 4 -1 20 5 -2 21 6 -1 24 7 -2 25 8 -2 9 18 2 10 19 2 21 11 -2 12 14 1 12 18 1 13 15 1 13 21 1 14 25 1 15 22 1 16 19 1 16 24 1 17 21 1 17 24 1 18 20 1 19 23 1 20 23 1 22 24 1 22 25 1 23 25 1', '25 27 H 15.60 -11.42 H 14.33 -13.54 C 20.52 -8.94 C 14.05 -14.37 C 12.13 -14.36 C 18.06 -7.55 C 16.85 -9.73 C 14.33 -9.69 O 10.64 -13.28 O 15.57 -14.70 C 19.27 -8.25 C 11.85 -11.14 C 16.85 -8.26 C 13.08 -10.41 C 15.57 -8.98 C 16.85 -12.58 O 18.05 -10.41 C 11.85 -12.58 C 15.57 -13.30 C 13.08 -13.30 C 18.05 -8.98 C 15.57 -10.41 C 14.33 -12.58 C 16.85 -11.14 C 14.33 -11.14 22 1 -1 23 2 -1 3 11 2 20 4 -1 20 5 -2 21 6 -1 24 7 -2 25 8 -2 9 18 2 10 19 2 21 11 -2 12 14 1 12 18 1 13 15 1 13 21 1 14 25 1 15 22 1 16 19 1 16 24 1 17 21 1 17 24 1 18 20 1 19 23 1 20 23 1 22 24 1 22 25 1 23 25 1', '25 27 H 15.60 -11.42 H 14.33 -13.54 C:111 20.52 -8.94 C:24 14.05 -14.37 C:22 12.13 -14.36 C:33 18.06 -7.55 C:25 16.85 -9.73 C:16 14.33 -9.69 O 10.64 -13.28 O 15.57 -14.70 C:147 19.27 -8.25 C:34 11.85 -11.14 C:35 16.85 -8.26 C:40 13.08 -10.41 C:17 15.57 -8.98 C:60 16.85 -12.58 O 18.05 -10.41 C:214 11.85 -12.58 C:207 15.57 -13.30 C:47 13.08 -13.30 C:75 18.05 -8.98 C:58 15.57 -10.41 C:66 14.33 -12.58 C:72 16.85 -11.14 C:40 14.33 -11.14 22 1 -1 23 2 -1 3 11 2 20 4 -1 20 5 -2 21 6 -1 24 7 -2 25 8 -2 9 18 2 10 19 2 21 11 -2 12 14 1 12 18 1 13 15 1 13 21 1 14 25 1 15 22 1 16 19 1 16 24 1 17 21 1 17 24 1 18 20 1 19 23 1 20 23 1 22 24 1 22 25 1 23 25 1', 'C20H30O3', 318.228, 'C', 'ph35_645_11', 705, '', '', '1', 1, NULL, NULL),
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(6604, '', '17-Acetoxy-13(R)-hydroxy-7,14-labddiene ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH2:17]O[C:17001]([CH3:17002])=O)[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])[CH3:18]', '[H][C@@]12CC=C(COC(C)=O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:50]12[CH2:24][CH:129]=[C:134]([CH2:68]O[C:171]([CH3:21])=O)[C@H:53]([CH2:21][CH2:44][C@@:73]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:37]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '26 27 H 13.10 -15.10 C:15 16.80 -6.35 C:17002 20.45 -12.68 C:16 15.23 -7.10 C:19 10.92 -15.90 C:18 12.82 -15.91 C:20 13.10 -11.29 O 19.22 -10.59 O 14.23 -8.81 C:14 16.80 -7.74 C:7 15.58 -14.15 C:2 10.64 -12.73 C:6 14.34 -14.86 C:17 16.80 -12.01 C:11 14.34 -10.58 C:3 10.64 -14.15 C:1 11.87 -12.01 C:12 15.58 -9.88 O 18.02 -12.70 C:17001 19.23 -11.99 C:8 15.58 -12.73 C:9 14.34 -12.01 C:13 15.58 -8.45 C:4 11.87 -14.86 C:5 13.10 -14.15 C:10 13.10 -12.73 25 1 -2 2 10 2 3 20 1 23 4 -2 24 5 -1 24 6 -2 26 7 -1 8 20 2 23 9 -1 10 23 1 11 13 1 11 21 2 12 16 1 12 17 1 13 25 1 14 19 1 14 21 1 15 18 1 22 15 -1 16 24 1 17 26 1 18 23 1 19 20 1 21 22 1 22 26 1 24 25 1 25 26 1', '26 27 H 13.10 -15.10 C 16.80 -6.35 C 20.45 -12.68 C 15.23 -7.10 C 10.92 -15.90 C 12.82 -15.91 C 13.10 -11.29 O 19.22 -10.59 O 14.23 -8.81 C 16.80 -7.74 C 15.58 -14.15 C 10.64 -12.73 C 14.34 -14.86 C 16.80 -12.01 C 14.34 -10.58 C 10.64 -14.15 C 11.87 -12.01 C 15.58 -9.88 O 18.02 -12.70 C 19.23 -11.99 C 15.58 -12.73 C 14.34 -12.01 C 15.58 -8.45 C 11.87 -14.86 C 13.10 -14.15 C 13.10 -12.73 25 1 -2 2 10 2 3 20 1 23 4 -2 24 5 -1 24 6 -2 26 7 -1 8 20 2 23 9 -1 10 23 1 11 13 1 11 21 2 12 16 1 12 17 1 13 25 1 14 19 1 14 21 1 15 18 1 22 15 -1 16 24 1 17 26 1 18 23 1 19 20 1 21 22 1 22 26 1 24 25 1 25 26 1', '26 27 H 13.10 -15.10 C:112 16.80 -6.35 C:21 20.45 -12.68 C:28 15.23 -7.10 C:22 10.92 -15.90 C:33 12.82 -15.91 C:14 13.10 -11.29 O 19.22 -10.59 O 14.23 -8.81 C:145 16.80 -7.74 C:129 15.58 -14.15 C:19 10.64 -12.73 C:24 14.34 -14.86 C:68 16.80 -12.01 C:21 14.34 -10.58 C:42 10.64 -14.15 C:39 11.87 -12.01 C:44 15.58 -9.88 O 18.02 -12.70 C:171 19.23 -11.99 C:134 15.58 -12.73 C:53 14.34 -12.01 C:73 15.58 -8.45 C:33 11.87 -14.86 C:50 13.10 -14.15 C:37 13.10 -12.73 25 1 -2 2 10 2 3 20 1 23 4 -2 24 5 -1 24 6 -2 26 7 -1 8 20 2 23 9 -1 10 23 1 11 13 1 11 21 2 12 16 1 12 17 1 13 25 1 14 19 1 14 21 1 15 18 1 22 15 -1 16 24 1 17 26 1 18 23 1 19 20 1 21 22 1 22 26 1 24 25 1 25 26 1', 'C22H36O3', 348.242, 'C', 'ph35_713_10', 2335, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(6607, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH2:17]O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC=C(CO)[C@H](CCC(C)=CCO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:50]12[CH2:24][CH:126]=[C:140]([CH2:66]O)[C@H:52]([CH2:25][CH2:41][C:140]([CH3:16])=[CH:124][CH2:59]O)[C@@:37]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@:33]2([CH3:33])[CH3:22]', '23 24 H 14.37 -15.47 C:16 15.60 -8.13 C:18 14.09 -16.28 C:19 12.18 -16.27 C:20 14.37 -11.67 O 19.25 -6.02 O 19.28 -13.07 C:14 18.06 -8.13 C:7 16.84 -14.52 C:15 18.06 -6.73 C:17 18.06 -12.38 C:2 11.90 -13.10 C:6 15.60 -15.23 C:12 16.84 -10.26 C:11 15.60 -10.96 C:3 11.90 -14.52 C:1 13.13 -12.38 C:13 16.84 -8.84 C:8 16.84 -13.10 C:9 15.60 -12.38 C:4 13.13 -15.23 C:5 14.37 -14.52 C:10 14.37 -13.10 22 1 -2 2 18 1 21 3 -2 21 4 -1 23 5 -1 6 10 1 7 11 1 8 10 1 8 18 2 9 13 1 9 19 2 11 19 1 12 16 1 12 17 1 13 22 1 14 15 1 14 18 1 20 15 -1 16 21 1 17 23 1 19 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.37 -15.47 C 15.60 -8.13 C 14.09 -16.28 C 12.18 -16.27 C 14.37 -11.67 O 19.25 -6.02 O 19.28 -13.07 C 18.06 -8.13 C 16.84 -14.52 C 18.06 -6.73 C 18.06 -12.38 C 11.90 -13.10 C 15.60 -15.23 C 16.84 -10.26 C 15.60 -10.96 C 11.90 -14.52 C 13.13 -12.38 C 16.84 -8.84 C 16.84 -13.10 C 15.60 -12.38 C 13.13 -15.23 C 14.37 -14.52 C 14.37 -13.10 22 1 -2 2 18 1 21 3 -2 21 4 -1 23 5 -1 6 10 1 7 11 1 8 10 1 8 18 2 9 13 1 9 19 2 11 19 1 12 16 1 12 17 1 13 22 1 14 15 1 14 18 1 20 15 -1 16 21 1 17 23 1 19 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.37 -15.47 C:16 15.60 -8.13 C:33 14.09 -16.28 C:22 12.18 -16.27 C:14 14.37 -11.67 O 19.25 -6.02 O 19.28 -13.07 C:124 18.06 -8.13 C:126 16.84 -14.52 C:59 18.06 -6.73 C:66 18.06 -12.38 C:19 11.90 -13.10 C:24 15.60 -15.23 C:41 16.84 -10.26 C:25 15.60 -10.96 C:42 11.90 -14.52 C:39 13.13 -12.38 C:140 16.84 -8.84 C:140 16.84 -13.10 C:52 15.60 -12.38 C:33 13.13 -15.23 C:50 14.37 -14.52 C:37 14.37 -13.10 22 1 -2 2 18 1 21 3 -2 21 4 -1 23 5 -1 6 10 1 7 11 1 8 10 1 8 18 2 9 13 1 9 19 2 11 19 1 12 16 1 12 17 1 13 22 1 14 15 1 14 18 1 20 15 -1 16 21 1 17 23 1 19 20 1 20 23 1 21 22 1 22 23 1', 'C20H34O2', 306.221, 'C', 'ph35_713_13', 2335, '', '', '1', 1, NULL, NULL),
(6608, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH2:17]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(CO)[C@H](CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:49]12[CH2:24][CH:139]=[C:127]([CH2:66]O)[C@H:50]([CH2:28][CH2:64]O)[C@@:37]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '19 20 H 14.35 -14.06 C:19 12.17 -14.86 C:18 14.07 -14.87 C:20 14.35 -10.24 O 16.78 -7.42 O 19.27 -11.71 C:7 16.84 -13.10 C:12 16.79 -8.83 C:17 18.07 -10.99 C:2 11.88 -11.68 C:6 15.58 -13.81 C:11 15.58 -9.54 C:3 11.88 -13.10 C:1 13.11 -10.96 C:8 16.84 -11.68 C:9 15.58 -10.96 C:4 13.11 -13.81 C:5 14.35 -13.10 C:10 14.35 -11.68 18 1 -2 17 2 -1 17 3 -2 19 4 -1 5 8 1 6 9 1 7 11 1 7 15 2 8 12 1 9 15 1 10 13 1 10 14 1 11 18 1 16 12 -1 13 17 1 14 19 1 15 16 1 16 19 1 17 18 1 18 19 1', '19 20 H 14.35 -14.06 C 12.17 -14.86 C 14.07 -14.87 C 14.35 -10.24 O 16.78 -7.42 O 19.27 -11.71 C 16.84 -13.10 C 16.79 -8.83 C 18.07 -10.99 C 11.88 -11.68 C 15.58 -13.81 C 15.58 -9.54 C 11.88 -13.10 C 13.11 -10.96 C 16.84 -11.68 C 15.58 -10.96 C 13.11 -13.81 C 14.35 -13.10 C 14.35 -11.68 18 1 -2 17 2 -1 17 3 -2 19 4 -1 5 8 1 6 9 1 7 11 1 7 15 2 8 12 1 9 15 1 10 13 1 10 14 1 11 18 1 16 12 -1 13 17 1 14 19 1 15 16 1 16 19 1 17 18 1 18 19 1', '19 20 H 14.35 -14.06 C:22 12.17 -14.86 C:33 14.07 -14.87 C:14 14.35 -10.24 O 16.78 -7.42 O 19.27 -11.71 C:139 16.84 -13.10 C:64 16.79 -8.83 C:66 18.07 -10.99 C:19 11.88 -11.68 C:24 15.58 -13.81 C:28 15.58 -9.54 C:42 11.88 -13.10 C:39 13.11 -10.96 C:127 16.84 -11.68 C:50 15.58 -10.96 C:33 13.11 -13.81 C:49 14.35 -13.10 C:37 14.35 -11.68 18 1 -2 17 2 -1 17 3 -2 19 4 -1 5 8 1 6 9 1 7 11 1 7 15 2 8 12 1 9 15 1 10 13 1 10 14 1 11 18 1 16 12 -1 13 17 1 14 19 1 15 16 1 16 19 1 17 18 1 18 19 1', 'C16H28O2', 252.178, 'C', 'ph35_713_15', 2335, '', '', '1', 1, NULL, NULL),
(6609, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH2:17]O)[C@H:9]([CH2:11][CH2:12][C@H:13]([CH3:16])[CH2:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:50]12[CH2:24][CH:125]=[C:138]([CH2:66]O)[C@H:53]([CH2:24][CH2:39][C@H:31]([CH3:20])[CH2:39][CH2:61]O)[C@@:37]1([CH3:14])[CH2:40][CH2:19][CH2:43][C@@:33]2([CH3:22])[CH3:33]', '23 24 H 14.33 -15.48 C:16 15.56 -8.12 C:19 12.14 -16.28 C:18 14.05 -16.29 C:20 14.33 -11.67 O 19.20 -6.01 O 19.23 -13.07 C:7 16.80 -14.52 C:15 18.01 -6.72 C:17 18.01 -12.38 C:2 11.86 -13.10 C:6 15.56 -15.24 C:14 18.01 -8.12 C:12 16.80 -10.25 C:11 15.56 -10.95 C:3 11.86 -14.52 C:1 13.09 -12.38 C:8 16.80 -13.10 C:13 16.80 -8.83 C:9 15.56 -12.38 C:4 13.09 -15.24 C:5 14.33 -14.52 C:10 14.33 -13.10 22 1 -2 19 2 -2 21 3 -1 21 4 -2 23 5 -1 6 9 1 7 10 1 8 12 1 8 18 2 9 13 1 10 18 1 11 16 1 11 17 1 12 22 1 13 19 1 14 15 1 14 19 1 20 15 -1 16 21 1 17 23 1 18 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.33 -15.48 C 15.56 -8.12 C 12.14 -16.28 C 14.05 -16.29 C 14.33 -11.67 O 19.20 -6.01 O 19.23 -13.07 C 16.80 -14.52 C 18.01 -6.72 C 18.01 -12.38 C 11.86 -13.10 C 15.56 -15.24 C 18.01 -8.12 C 16.80 -10.25 C 15.56 -10.95 C 11.86 -14.52 C 13.09 -12.38 C 16.80 -13.10 C 16.80 -8.83 C 15.56 -12.38 C 13.09 -15.24 C 14.33 -14.52 C 14.33 -13.10 22 1 -2 19 2 -2 21 3 -1 21 4 -2 23 5 -1 6 9 1 7 10 1 8 12 1 8 18 2 9 13 1 10 18 1 11 16 1 11 17 1 12 22 1 13 19 1 14 15 1 14 19 1 20 15 -1 16 21 1 17 23 1 18 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.33 -15.48 C:20 15.56 -8.12 C:22 12.14 -16.28 C:33 14.05 -16.29 C:14 14.33 -11.67 O 19.20 -6.01 O 19.23 -13.07 C:125 16.80 -14.52 C:61 18.01 -6.72 C:66 18.01 -12.38 C:19 11.86 -13.10 C:24 15.56 -15.24 C:39 18.01 -8.12 C:39 16.80 -10.25 C:24 15.56 -10.95 C:43 11.86 -14.52 C:40 13.09 -12.38 C:138 16.80 -13.10 C:31 16.80 -8.83 C:53 15.56 -12.38 C:33 13.09 -15.24 C:50 14.33 -14.52 C:37 14.33 -13.10 22 1 -2 19 2 -2 21 3 -1 21 4 -2 23 5 -1 6 9 1 7 10 1 8 12 1 8 18 2 9 13 1 10 18 1 11 16 1 11 17 1 12 22 1 13 19 1 14 15 1 14 19 1 20 15 -1 16 21 1 17 23 1 18 20 1 20 23 1 21 22 1 22 23 1', 'C20H36O2', 308.221, 'C', 'ph35_713_16', 2335, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(6626, '', '19-Acetoxy-2a,7a-dihydroxylabda-14,15-dinorlabd-8(17)-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C@@H:7](O)[C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12C[C@@H](O)C(=C)[C@H](CCC(C)=O)[C@@]1(C)C[C@@H](O)C[C@]2(C)COC(C)=O', '[H][C@@:53]12[CH2:34][C@@H:74](O)[C:149](=[CH2:104])[C@H:54]([CH2:17][CH2:42][C:209]([CH3:30])=O)[C@@:41]1([CH3:16])[CH2:48][C@@H:65](O)[CH2:45][C@:39]2([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '26 27 H 16.67 -13.40 C:17 20.36 -10.31 C:14 20.36 -6.05 C:19002 10.81 -14.63 C:18 16.39 -14.21 C:20 16.67 -9.60 O 17.90 -6.05 O 12.58 -16.28 O 12.99 -10.34 O 20.35 -13.15 C:12 19.14 -8.18 C:11 17.90 -8.88 C:19 14.49 -14.20 C:3 14.21 -12.45 C:6 17.90 -13.16 C:1 15.44 -10.31 O 13.12 -13.90 C:13 19.14 -6.76 C:19001 12.17 -14.94 C:8 19.14 -11.03 C:2 14.21 -11.03 C:7 19.14 -12.45 C:9 17.90 -10.31 C:5 16.67 -12.45 C:4 15.44 -13.16 C:10 16.67 -11.03 24 1 -2 2 20 2 3 18 1 4 19 1 25 5 -2 26 6 -1 7 18 2 8 19 2 21 9 -2 22 10 -2 11 12 1 11 18 1 23 12 -1 13 17 1 25 13 -1 14 21 1 14 25 1 15 22 1 15 24 1 16 21 1 16 26 1 17 19 1 20 22 1 20 23 1 23 26 1 24 25 1 24 26 1', '26 27 H 16.67 -13.40 C 20.36 -10.31 C 20.36 -6.05 C 10.81 -14.63 C 16.39 -14.21 C 16.67 -9.60 O 17.90 -6.05 O 12.58 -16.28 O 12.99 -10.34 O 20.35 -13.15 C 19.14 -8.18 C 17.90 -8.88 C 14.49 -14.20 C 14.21 -12.45 C 17.90 -13.16 C 15.44 -10.31 O 13.12 -13.90 C 19.14 -6.76 C 12.17 -14.94 C 19.14 -11.03 C 14.21 -11.03 C 19.14 -12.45 C 17.90 -10.31 C 16.67 -12.45 C 15.44 -13.16 C 16.67 -11.03 24 1 -2 2 20 2 3 18 1 4 19 1 25 5 -2 26 6 -1 7 18 2 8 19 2 21 9 -2 22 10 -2 11 12 1 11 18 1 23 12 -1 13 17 1 25 13 -1 14 21 1 14 25 1 15 22 1 15 24 1 16 21 1 16 26 1 17 19 1 20 22 1 20 23 1 23 26 1 24 25 1 24 26 1', '26 27 H 16.67 -13.40 C:104 20.36 -10.31 C:30 20.36 -6.05 C:21 10.81 -14.63 C:28 16.39 -14.21 C:16 16.67 -9.60 O 17.90 -6.05 O 12.58 -16.28 O 12.99 -10.34 O 20.35 -13.15 C:42 19.14 -8.18 C:17 17.90 -8.88 C:67 14.49 -14.20 C:45 14.21 -12.45 C:34 17.90 -13.16 C:48 15.44 -10.31 O 13.12 -13.90 C:209 19.14 -6.76 C:171 12.17 -14.94 C:149 19.14 -11.03 C:65 14.21 -11.03 C:74 19.14 -12.45 C:54 17.90 -10.31 C:53 16.67 -12.45 C:39 15.44 -13.16 C:41 16.67 -11.03 24 1 -2 2 20 2 3 18 1 4 19 1 25 5 -2 26 6 -1 7 18 2 8 19 2 21 9 -2 22 10 -2 11 12 1 11 18 1 23 12 -1 13 17 1 25 13 -1 14 21 1 14 25 1 15 22 1 15 24 1 16 21 1 16 26 1 17 19 1 20 22 1 20 23 1 23 26 1 24 25 1 24 26 1', 'C20H32O5', 352.219, 'C', 'np99_45_6', 652, '', '', '1', 1, NULL, NULL),
(6627, '', '2a,7a,15,19-Tetrahydroxy-ent-labda-8(17),(13Z)-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C@H:7](O)[C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@:10]1([CH3:20])[CH2:1][C@H:2](O)[CH2:3][C@@:4]2([CH3:18])[CH2:19]O', '[H][C@@]12C[C@H](O)C(=C)[C@H](CCC(C)=CCO)[C@]1(C)C[C@H](O)C[C@@]2(C)CO', '[H][C@@:54]12[CH2:34][C@H:75](O)[C:151](=[CH2:105])[C@H:55]([CH2:23][CH2:31][C:140]([CH3:24])=[CH:126][CH2:59]O)[C@:41]1([CH3:17])[CH2:41][C@H:66](O)[CH2:45][C@@:41]2([CH3:28])[CH2:66]O', '25 26 H 14.37 -14.41 C:17 18.06 -11.32 C:16 15.60 -7.06 C:18 14.09 -15.22 C:20 14.37 -10.61 O 20.49 -7.05 O 10.83 -14.91 O 10.69 -11.35 O 18.05 -14.16 C:14 18.06 -7.06 C:15 19.28 -7.76 C:19 12.19 -15.21 C:12 16.84 -9.19 C:11 15.60 -9.89 C:3 11.91 -13.46 C:6 15.60 -14.17 C:1 13.14 -11.32 C:13 16.84 -7.77 C:8 16.84 -12.04 C:2 11.91 -12.04 C:7 16.84 -13.46 C:9 15.60 -11.32 C:5 14.37 -13.46 C:4 13.14 -14.17 C:10 14.37 -12.04 23 1 -2 2 19 2 3 18 1 24 4 -1 25 5 -2 6 11 1 7 12 1 20 8 -1 21 9 -1 10 11 1 10 18 2 24 12 -2 13 14 1 13 18 1 22 14 -1 15 20 1 15 24 1 16 21 1 16 23 1 17 20 1 17 25 1 19 21 1 19 22 1 22 25 1 23 24 1 23 25 1', '25 26 H 14.37 -14.41 C 18.06 -11.32 C 15.60 -7.06 C 14.09 -15.22 C 14.37 -10.61 O 20.49 -7.05 O 10.83 -14.91 O 10.69 -11.35 O 18.05 -14.16 C 18.06 -7.06 C 19.28 -7.76 C 12.19 -15.21 C 16.84 -9.19 C 15.60 -9.89 C 11.91 -13.46 C 15.60 -14.17 C 13.14 -11.32 C 16.84 -7.77 C 16.84 -12.04 C 11.91 -12.04 C 16.84 -13.46 C 15.60 -11.32 C 14.37 -13.46 C 13.14 -14.17 C 14.37 -12.04 23 1 -2 2 19 2 3 18 1 24 4 -1 25 5 -2 6 11 1 7 12 1 20 8 -1 21 9 -1 10 11 1 10 18 2 24 12 -2 13 14 1 13 18 1 22 14 -1 15 20 1 15 24 1 16 21 1 16 23 1 17 20 1 17 25 1 19 21 1 19 22 1 22 25 1 23 24 1 23 25 1', '25 26 H 14.37 -14.41 C:105 18.06 -11.32 C:24 15.60 -7.06 C:28 14.09 -15.22 C:17 14.37 -10.61 O 20.49 -7.05 O 10.83 -14.91 O 10.69 -11.35 O 18.05 -14.16 C:126 18.06 -7.06 C:59 19.28 -7.76 C:66 12.19 -15.21 C:31 16.84 -9.19 C:23 15.60 -9.89 C:45 11.91 -13.46 C:34 15.60 -14.17 C:41 13.14 -11.32 C:140 16.84 -7.77 C:151 16.84 -12.04 C:66 11.91 -12.04 C:75 16.84 -13.46 C:55 15.60 -11.32 C:54 14.37 -13.46 C:41 13.14 -14.17 C:41 14.37 -12.04 23 1 -2 2 19 2 3 18 1 24 4 -1 25 5 -2 6 11 1 7 12 1 20 8 -1 21 9 -1 10 11 1 10 18 2 24 12 -2 13 14 1 13 18 1 22 14 -1 15 20 1 15 24 1 16 21 1 16 23 1 17 20 1 17 25 1 19 21 1 19 22 1 22 25 1 23 24 1 23 25 1', 'C20H34O4', 338.22, 'M', 'np99_45_7', 652, '', '', '1', 1, NULL, NULL),
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(6642, 'Neoabietic acid methyl ester', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:9]12[CH2:11][CH2:12][C:13](=[C:15]([CH3:16])[CH3:17])[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([C:18](=O)O[CH3:18001])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CCC(=C(C)C)C=C1CC[C@@]3([H])[C@](C)(C(=O)OC)CCC[C@]23C', '[H][C@:51]12[CH2:22][CH2:26][C:128](=[C:123]([CH3:20])[CH3:20])[CH:122]=[C:138]1[CH2:36][CH2:25][C@@:49]3([H])[C@:48]([CH3:17])([C:179](=O)O[CH3:52])[CH2:37][CH2:18][CH2:38][C@:38]23[CH3:15]', '25 27 H 14.95 -11.24 H 13.71 -13.33 C:18001 15.71 -15.04 C:16 19.96 -8.78 C:17 18.71 -6.71 C:19 11.40 -14.11 C:20 13.71 -9.51 O 13.02 -15.54 C:14 17.46 -10.24 C:2 11.20 -10.97 C:12 16.20 -8.10 C:7 16.20 -12.40 C:11 14.95 -8.78 C:3 11.20 -12.40 C:6 14.95 -13.12 C:1 12.44 -10.24 O 14.81 -13.97 C:15 18.71 -8.10 C:18 13.44 -14.21 C:13 17.46 -8.78 C:8 16.20 -10.97 C:9 14.95 -10.24 C:5 13.71 -12.40 C:4 12.44 -13.12 C:10 13.71 -10.97 22 1 -2 23 2 -2 3 17 1 4 18 1 5 18 1 24 6 -1 25 7 -1 8 19 2 9 20 1 9 21 2 10 14 1 10 16 1 11 13 1 11 20 1 12 15 1 12 21 1 13 22 1 14 24 1 15 23 1 16 25 1 17 19 1 18 20 2 24 19 -2 21 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 14.95 -11.24 H 13.71 -13.33 C 15.71 -15.04 C 19.96 -8.78 C 18.71 -6.71 C 11.40 -14.11 C 13.71 -9.51 O 13.02 -15.54 C 17.46 -10.24 C 11.20 -10.97 C 16.20 -8.10 C 16.20 -12.40 C 14.95 -8.78 C 11.20 -12.40 C 14.95 -13.12 C 12.44 -10.24 O 14.81 -13.97 C 18.71 -8.10 C 13.44 -14.21 C 17.46 -8.78 C 16.20 -10.97 C 14.95 -10.24 C 13.71 -12.40 C 12.44 -13.12 C 13.71 -10.97 22 1 -2 23 2 -2 3 17 1 4 18 1 5 18 1 24 6 -1 25 7 -1 8 19 2 9 20 1 9 21 2 10 14 1 10 16 1 11 13 1 11 20 1 12 15 1 12 21 1 13 22 1 14 24 1 15 23 1 16 25 1 17 19 1 18 20 2 24 19 -2 21 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 14.95 -11.24 H 13.71 -13.33 C:52 15.71 -15.04 C:20 19.96 -8.78 C:20 18.71 -6.71 C:17 11.40 -14.11 C:15 13.71 -9.51 O 13.02 -15.54 C:122 17.46 -10.24 C:18 11.20 -10.97 C:26 16.20 -8.10 C:36 16.20 -12.40 C:22 14.95 -8.78 C:37 11.20 -12.40 C:25 14.95 -13.12 C:38 12.44 -10.24 O 14.81 -13.97 C:123 18.71 -8.10 C:179 13.44 -14.21 C:128 17.46 -8.78 C:138 16.20 -10.97 C:51 14.95 -10.24 C:49 13.71 -12.40 C:48 12.44 -13.12 C:38 13.71 -10.97 22 1 -2 23 2 -2 3 17 1 4 18 1 5 18 1 24 6 -1 25 7 -1 8 19 2 9 20 1 9 21 2 10 14 1 10 16 1 11 13 1 11 20 1 12 15 1 12 21 1 13 22 1 14 24 1 15 23 1 16 25 1 17 19 1 18 20 2 24 19 -2 21 22 1 22 25 1 23 24 1 23 25 1', 'C21H32O2', 316.239, 'C', 'np99_1504_12', 2273, '', '', '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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(6660, '', 'Labda-8,14-dien-13-ol ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH2:7][C:8]([CH3:17])=[C: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])[CH3:18]', '[H][C@]12CCC(C)=C(CCC(C)(O)C=C)[C@]1(C)CCC[C@]2(C)C', '[H][C@:52]12[CH2:22][CH2:34][C:126]([CH3:20])=[C:140]([CH2:19][CH2:43][C:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@:39]1([CH3:20])[CH2:37][CH2:19][CH2:42][C@:33]2([CH3:22])[CH3:33]', '22 23 H 14.96 -15.11 C:15 18.65 -6.34 C:17 18.65 -12.01 C:16 17.08 -7.10 C:19 12.78 -15.92 C:18 14.68 -15.93 C:20 14.96 -11.30 O 16.08 -8.82 C:14 18.65 -7.74 C:2 12.49 -12.74 C:7 17.43 -14.16 C:11 16.19 -10.58 C:3 12.49 -14.16 C:12 17.43 -9.88 C:1 13.73 -12.01 C:6 16.19 -14.87 C:8 17.43 -12.74 C:9 16.19 -12.01 C:13 17.43 -8.46 C:4 13.73 -14.87 C:5 14.96 -14.16 C:10 14.96 -12.74 21 1 -1 2 9 2 3 17 1 4 19 1 20 5 -2 20 6 -1 22 7 -2 8 19 1 9 19 1 10 13 1 10 15 1 11 16 1 11 17 1 12 14 1 12 18 1 13 20 1 14 19 1 15 22 1 16 21 1 17 18 2 18 22 1 20 21 1 21 22 1', '22 23 H 14.96 -15.11 C 18.65 -6.34 C 18.65 -12.01 C 17.08 -7.10 C 12.78 -15.92 C 14.68 -15.93 C 14.96 -11.30 O 16.08 -8.82 C 18.65 -7.74 C 12.49 -12.74 C 17.43 -14.16 C 16.19 -10.58 C 12.49 -14.16 C 17.43 -9.88 C 13.73 -12.01 C 16.19 -14.87 C 17.43 -12.74 C 16.19 -12.01 C 17.43 -8.46 C 13.73 -14.87 C 14.96 -14.16 C 14.96 -12.74 21 1 -1 2 9 2 3 17 1 4 19 1 20 5 -2 20 6 -1 22 7 -2 8 19 1 9 19 1 10 13 1 10 15 1 11 16 1 11 17 1 12 14 1 12 18 1 13 20 1 14 19 1 15 22 1 16 21 1 17 18 2 18 22 1 20 21 1 21 22 1', '22 23 H 14.96 -15.11 C:112 18.65 -6.34 C:20 18.65 -12.01 C:28 17.08 -7.10 C:22 12.78 -15.92 C:33 14.68 -15.93 C:20 14.96 -11.30 O 16.08 -8.82 C:145 18.65 -7.74 C:19 12.49 -12.74 C:34 17.43 -14.16 C:19 16.19 -10.58 C:42 12.49 -14.16 C:43 17.43 -9.88 C:37 13.73 -12.01 C:22 16.19 -14.87 C:126 17.43 -12.74 C:140 16.19 -12.01 C:74 17.43 -8.46 C:33 13.73 -14.87 C:52 14.96 -14.16 C:39 14.96 -12.74 21 1 -1 2 9 2 3 17 1 4 19 1 20 5 -2 20 6 -1 22 7 -2 8 19 1 9 19 1 10 13 1 10 15 1 11 16 1 11 17 1 12 14 1 12 18 1 13 20 1 14 19 1 15 22 1 16 21 1 17 18 2 18 22 1 20 21 1 21 22 1', 'C20H34O', 290.221, 'C', 'ph44_101_1', 2463, '', '', '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
(6661, '', 'Labda-7,14-dien-9,13-diol ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH:7]=[C:8]([CH3:17])[C@@:9](O)([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([CH3:18])[CH3:19]', '[H][C@]12CC=C(C)[C@@](O)(CCC(C)(O)C=C)[C@]1(C)CCC[C@@]2(C)C', '[H][C@:42]12[CH2:24][CH:127]=[C:135]([CH3:21])[C@@:91](O)([CH2:28][CH2:37][C:83]([CH3:29])(O)[CH:145]=[CH2:110])[C@:41]1([CH3:17])[CH2:33][CH2:19][CH2:42][C@@:33]2([CH3:33])[CH3:22]', '23 24 H 14.95 -15.10 C:15 18.63 -6.33 C:17 18.63 -12.00 C:16 17.07 -7.09 C:18 14.67 -15.92 C:19 12.77 -15.91 C:20 14.95 -11.29 O 16.07 -8.81 O 17.37 -11.30 C:14 18.63 -7.73 C:7 17.41 -14.15 C:2 12.48 -12.73 C:6 16.18 -14.86 C:3 12.48 -14.15 C:1 13.72 -12.00 C:12 17.41 -9.87 C:11 16.18 -10.57 C:8 17.41 -12.73 C:13 17.41 -8.45 C:4 13.72 -14.86 C:5 14.95 -14.15 C:10 14.95 -12.73 C:9 16.18 -12.00 21 1 -1 2 10 2 3 18 1 4 19 1 20 5 -1 20 6 -2 22 7 -2 8 19 1 23 9 -1 10 19 1 11 13 1 11 18 2 12 14 1 12 15 1 13 21 1 14 20 1 15 22 1 16 17 1 16 19 1 23 17 -2 18 23 1 20 21 1 21 22 1 22 23 1', '23 24 H 14.95 -15.10 C 18.63 -6.33 C 18.63 -12.00 C 17.07 -7.09 C 14.67 -15.92 C 12.77 -15.91 C 14.95 -11.29 O 16.07 -8.81 O 17.37 -11.30 C 18.63 -7.73 C 17.41 -14.15 C 12.48 -12.73 C 16.18 -14.86 C 12.48 -14.15 C 13.72 -12.00 C 17.41 -9.87 C 16.18 -10.57 C 17.41 -12.73 C 17.41 -8.45 C 13.72 -14.86 C 14.95 -14.15 C 14.95 -12.73 C 16.18 -12.00 21 1 -1 2 10 2 3 18 1 4 19 1 20 5 -1 20 6 -2 22 7 -2 8 19 1 23 9 -1 10 19 1 11 13 1 11 18 2 12 14 1 12 15 1 13 21 1 14 20 1 15 22 1 16 17 1 16 19 1 23 17 -2 18 23 1 20 21 1 21 22 1 22 23 1', '23 24 H 14.95 -15.10 C:110 18.63 -6.33 C:21 18.63 -12.00 C:29 17.07 -7.09 C:33 14.67 -15.92 C:22 12.77 -15.91 C:17 14.95 -11.29 O 16.07 -8.81 O 17.37 -11.30 C:145 18.63 -7.73 C:127 17.41 -14.15 C:19 12.48 -12.73 C:24 16.18 -14.86 C:42 12.48 -14.15 C:33 13.72 -12.00 C:37 17.41 -9.87 C:28 16.18 -10.57 C:135 17.41 -12.73 C:83 17.41 -8.45 C:33 13.72 -14.86 C:42 14.95 -14.15 C:41 14.95 -12.73 C:91 16.18 -12.00 21 1 -1 2 10 2 3 18 1 4 19 1 20 5 -1 20 6 -2 22 7 -2 8 19 1 23 9 -1 10 19 1 11 13 1 11 18 2 12 14 1 12 15 1 13 21 1 14 20 1 15 22 1 16 17 1 16 19 1 23 17 -2 18 23 1 20 21 1 21 22 1 22 23 1', 'C20H34O2', 306.221, 'C', 'ph44_101_2', 2463, '', '', '1', 1, NULL, NULL),
(6662, '', '13-Hydroxy-7-oxo-labda-8,14-diene ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][C:7](=O)[C:8]([CH3:17])=[C: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])[CH3:18]', '[H][C@]12CC(=O)C(C)=C(CCC(C)(O)C=C)[C@]1(C)CCC[C@]2(C)C', '[H][C@:50]12[CH2:35][C:200](=O)[C:130]([CH3:11])=[C:168]([CH2:24][CH2:41][C:73]([CH3:28])(O)[CH:144]=[CH2:113])[C@:41]1([CH3:18])[CH2:36][CH2:19][CH2:41][C@:33]2([CH3:21])[CH3:33]', '23 24 H 14.95 -15.10 C:15 18.63 -6.33 C:17 18.63 -12.00 C:19 12.77 -15.91 C:18 14.67 -15.92 C:16 17.07 -7.09 C:20 14.95 -11.29 O 18.63 -14.84 O 16.07 -8.81 C:14 18.63 -7.73 C:2 12.48 -12.73 C:11 16.18 -10.57 C:3 12.48 -14.15 C:1 13.72 -12.00 C:12 17.41 -9.87 C:6 16.18 -14.86 C:8 17.41 -12.73 C:7 17.41 -14.15 C:9 16.18 -12.00 C:4 13.72 -14.86 C:13 17.41 -8.45 C:5 14.95 -14.15 C:10 14.95 -12.73 22 1 -1 2 10 2 3 17 1 20 4 -2 20 5 -1 6 21 1 23 7 -2 8 18 2 9 21 1 10 21 1 11 13 1 11 14 1 12 15 1 12 19 1 13 20 1 14 23 1 15 21 1 16 18 1 16 22 1 17 18 1 17 19 2 19 23 1 20 22 1 22 23 1', '23 24 H 14.95 -15.10 C 18.63 -6.33 C 18.63 -12.00 C 12.77 -15.91 C 14.67 -15.92 C 17.07 -7.09 C 14.95 -11.29 O 18.63 -14.84 O 16.07 -8.81 C 18.63 -7.73 C 12.48 -12.73 C 16.18 -10.57 C 12.48 -14.15 C 13.72 -12.00 C 17.41 -9.87 C 16.18 -14.86 C 17.41 -12.73 C 17.41 -14.15 C 16.18 -12.00 C 13.72 -14.86 C 17.41 -8.45 C 14.95 -14.15 C 14.95 -12.73 22 1 -1 2 10 2 3 17 1 20 4 -2 20 5 -1 6 21 1 23 7 -2 8 18 2 9 21 1 10 21 1 11 13 1 11 14 1 12 15 1 12 19 1 13 20 1 14 23 1 15 21 1 16 18 1 16 22 1 17 18 1 17 19 2 19 23 1 20 22 1 22 23 1', '23 24 H 14.95 -15.10 C:113 18.63 -6.33 C:11 18.63 -12.00 C:21 12.77 -15.91 C:33 14.67 -15.92 C:28 17.07 -7.09 C:18 14.95 -11.29 O 18.63 -14.84 O 16.07 -8.81 C:144 18.63 -7.73 C:19 12.48 -12.73 C:24 16.18 -10.57 C:41 12.48 -14.15 C:36 13.72 -12.00 C:41 17.41 -9.87 C:35 16.18 -14.86 C:130 17.41 -12.73 C:200 17.41 -14.15 C:168 16.18 -12.00 C:33 13.72 -14.86 C:73 17.41 -8.45 C:50 14.95 -14.15 C:41 14.95 -12.73 22 1 -1 2 10 2 3 17 1 20 4 -2 20 5 -1 6 21 1 23 7 -2 8 18 2 9 21 1 10 21 1 11 13 1 11 14 1 12 15 1 12 19 1 13 20 1 14 23 1 15 21 1 16 18 1 16 22 1 17 18 1 17 19 2 19 23 1 20 22 1 22 23 1', 'C20H32O2', 304.221, 'C', 'ph44_101_3', 2463, '', '', '1', 1, NULL, NULL),
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(6673, 'Jatropha factor C3', '', 'Terpenoids', 'Diterpenoids', 'Ingenanes', '[H][C@@:8]25[CH:7]=[C:6]([CH2:20]O)[CH2:5][C@:4]1(O)[C:3](=O)[C:2]([CH3:19])=[CH:1][C@@:10]1([H])[C@@:9]2(O)[C@H:11]([CH3:18])[CH2:12][C@@:13]46O[C:101](=O)[CH2:102][CH:103]=[CH:104][CH:105]=[CH:106][CH:107]3[CH:108]([CH:109]=[CH2:110])[CH:115]([CH:116]=[CH:117][CH:118]=[CH:119][CH:120]=[CH:121][CH2:122][CH2:123][CH3:124])[CH:114]3[CH:113]=[CH:112][C:111](=O)O[CH2:16][C@:15]4([CH3:17])[C@@:14]56[H]', '[H][C@@]25C=C(CO)C[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]2(O)[C@H](C)C[C@@]46OC(=O)CC=CC=CC3C(C=C)C(C=CC=CC=CCCC)C3C=CC(=O)OC[C@]4(C)[C@@]56[H]', 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8.76 -11.92 C:12 11.05 -6.66 O 14.77 -10.29 O 13.33 -6.39 C:2 6.09 -9.32 C:111 16.18 -10.15 C:101 13.00 -5.02 C:6 10.20 -12.03 C:3 6.51 -10.70 C:11 9.77 -7.37 C:108 20.07 -7.73 C:115 20.38 -9.11 C:107 18.69 -8.04 C:114 19.00 -9.43 C:8 11.01 -9.54 C:10 8.43 -9.32 C:14 12.28 -8.84 C:15 13.56 -8.12 C:4 7.96 -10.70 C:9 9.77 -8.81 C:13 12.28 -7.40 49 1 -1 50 2 -2 51 3 -2 4 15 2 5 30 1 6 39 1 44 7 -2 52 8 -1 9 40 2 10 41 2 11 43 2 12 32 1 53 13 -1 54 14 -2 15 45 1 16 17 2 16 18 1 17 20 1 18 22 2 19 21 1 19 23 2 20 25 2 21 26 2 22 31 1 23 33 1 24 27 2 24 40 1 25 46 1 26 47 1 27 48 1 28 39 2 28 50 1 29 42 2 29 49 1 30 31 1 32 42 1 33 41 1 34 37 1 52 34 -2 35 42 1 35 53 1 36 44 1 36 55 1 37 40 1 38 41 1 55 38 -2 39 43 1 43 53 1 44 54 1 45 46 1 45 47 1 46 48 1 47 48 1 49 51 1 49 54 1 50 53 1 50 54 1 51 52 1 51 55 1 52 55 1', '55 60 H 11.00 -8.57 H 8.67 -8.38 H 12.97 -9.66 C 22.24 -6.59 C 26.42 -18.25 C 4.70 -8.87 C 8.56 -6.63 C 14.82 -7.43 O 16.73 -8.84 O 11.67 -4.60 O 5.68 -11.84 O 9.81 -14.50 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9.77 -8.81 C:64 12.28 -7.40 49 1 -1 50 2 -2 51 3 -2 4 15 2 5 30 1 6 39 1 44 7 -2 52 8 -1 9 40 2 10 41 2 11 43 2 12 32 1 53 13 -1 54 14 -2 15 45 1 16 17 2 16 18 1 17 20 1 18 22 2 19 21 1 19 23 2 20 25 2 21 26 2 22 31 1 23 33 1 24 27 2 24 40 1 25 46 1 26 47 1 27 48 1 28 39 2 28 50 1 29 42 2 29 49 1 30 31 1 32 42 1 33 41 1 34 37 1 52 34 -2 35 42 1 35 53 1 36 44 1 36 55 1 37 40 1 38 41 1 55 38 -2 39 43 1 43 53 1 44 54 1 45 46 1 45 47 1 46 48 1 47 48 1 49 51 1 49 54 1 50 53 1 50 54 1 51 52 1 51 55 1 52 55 1', 'C44H54O8', 710.49, 'C', 'np02_1434_6', 804, '', '', '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
(6674, 'Jatropha factor C6', '', 'Terpenoids', 'Diterpenoids', 'Ingenanes', '[H][C@@:8]25[CH:7]=[C:6]([CH2:20]O)[CH2:5][C@:4]1(O)[C:3](=O)[C:2]([CH3:19])=[CH:1][C@@:10]1([H])[C@@:9]2(O)[C@H:11]([CH3:18])[CH2:12][C@@:13]46O[C:101](=O)[CH2:102][CH:103]=[CH:104][CH:105]=[CH:106][CH:107]=[CH:108][CH:109]3[CH2:110][CH:115]([CH:116]=[CH:117][CH:118]=[CH:119][CH:120]=[CH:121][CH2:122][CH2:123][CH3:124])[CH:114]3[CH:113]=[CH:112][C:111](=O)O[CH2:16][C@:15]4([CH3:17])[C@@:14]56[H]', '[H][C@@]25C=C(CO)C[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]2(O)[C@H](C)C[C@@]46OC(=O)CC=CC=CC=CC3CC(C=CC=CC=CCCC)C3C=CC(=O)OC[C@]4(C)[C@@]56[H]', '[H][C@@:39]25[CH:129]=[C:141]([CH2:68]O)[CH2:39][C@:74]1(O)[C:209](=O)[C:133]([CH3:10])=[CH:161][C@@:56]1([H])[C@@:76]2(O)[C@H:37]([CH3:19])[CH2:32][C@@:65]46O[C:174](=O)[CH2:39][CH:122]=[CH:137][CH:132]=[CH:131][CH:132]=[CH:135][CH:36]3[CH2:32][CH:43]([CH:136]=[CH:132][CH:132]=[CH:132][CH:131]=[CH:135][CH2:35][CH2:23][CH3:14])[CH:46]3[CH:153]=[CH:120][C:166](=O)O[CH2:69][C@:27]4([CH3:11])[C@@:30]56[H]', '55 60 H 11.94 -8.15 H 9.63 -7.97 H 13.90 -9.26 C:124 25.43 -18.46 C:19 5.70 -8.44 C:18 9.51 -6.24 C:17 15.76 -7.03 O 16.97 -7.77 O 13.00 -3.96 O 6.66 -11.42 O 10.75 -14.04 O 8.40 -11.60 O 10.75 -9.83 C:119 22.98 -12.89 C:105 19.08 -4.55 C:118 21.75 -12.20 C:106 20.28 -3.89 C:120 22.98 -14.29 C:104 17.86 -3.87 C:117 21.75 -10.80 C:107 21.50 -4.58 C:121 24.21 -14.98 C:103 16.64 -4.57 C:112 18.17 -9.90 C:116 20.54 -10.11 C:108 21.50 -6.00 C:113 19.42 -9.24 C:1 8.19 -8.06 C:7 12.13 -10.60 C:123 25.43 -17.07 C:20 11.67 -12.94 C:122 24.21 -16.38 C:102 15.41 -3.88 C:16 15.74 -8.44 C:110 21.41 -7.62 C:5 9.71 -11.50 C:12 11.99 -6.27 O 15.73 -9.85 O 14.27 -5.99 C:2 7.05 -8.92 C:111 16.97 -9.17 C:101 14.27 -4.61 C:6 11.13 -11.60 C:3 7.47 -10.29 C:11 10.73 -6.98 C:115 20.53 -8.71 C:109 20.26 -6.71 C:114 19.42 -7.84 C:8 11.95 -9.13 C:10 9.37 -8.92 C:15 14.49 -7.71 C:14 13.22 -8.43 C:4 8.91 -10.29 C:9 10.73 -8.40 C:13 13.22 -7.01 49 1 -1 50 2 -2 52 3 -2 4 30 1 5 40 1 45 6 -2 51 7 -1 8 41 2 9 42 2 10 44 2 11 31 1 53 12 -1 54 13 -2 14 16 2 14 18 1 15 17 2 15 19 1 16 20 1 17 21 1 18 22 2 19 23 2 20 25 2 21 26 2 22 32 1 23 33 1 24 27 2 24 41 1 25 46 1 26 47 1 27 48 1 28 40 2 28 50 1 29 43 2 29 49 1 30 32 1 31 43 1 33 42 1 34 38 1 51 34 -2 35 46 1 35 47 1 36 43 1 36 53 1 37 45 1 37 55 1 38 41 1 39 42 1 55 39 -2 40 44 1 44 53 1 45 54 1 46 48 1 47 48 1 49 52 1 49 54 1 50 53 1 50 54 1 51 52 1 51 55 1 52 55 1', '55 60 H 11.94 -8.15 H 9.63 -7.97 H 13.90 -9.26 C 25.43 -18.46 C 5.70 -8.44 C 9.51 -6.24 C 15.76 -7.03 O 16.97 -7.77 O 13.00 -3.96 O 6.66 -11.42 O 10.75 -14.04 O 8.40 -11.60 O 10.75 -9.83 C 22.98 -12.89 C 19.08 -4.55 C 21.75 -12.20 C 20.28 -3.89 C 22.98 -14.29 C 17.86 -3.87 C 21.75 -10.80 C 21.50 -4.58 C 24.21 -14.98 C 16.64 -4.57 C 18.17 -9.90 C 20.54 -10.11 C 21.50 -6.00 C 19.42 -9.24 C 8.19 -8.06 C 12.13 -10.60 C 25.43 -17.07 C 11.67 -12.94 C 24.21 -16.38 C 15.41 -3.88 C 15.74 -8.44 C 21.41 -7.62 C 9.71 -11.50 C 11.99 -6.27 O 15.73 -9.85 O 14.27 -5.99 C 7.05 -8.92 C 16.97 -9.17 C 14.27 -4.61 C 11.13 -11.60 C 7.47 -10.29 C 10.73 -6.98 C 20.53 -8.71 C 20.26 -6.71 C 19.42 -7.84 C 11.95 -9.13 C 9.37 -8.92 C 14.49 -7.71 C 13.22 -8.43 C 8.91 -10.29 C 10.73 -8.40 C 13.22 -7.01 49 1 -1 50 2 -2 52 3 -2 4 30 1 5 40 1 45 6 -2 51 7 -1 8 41 2 9 42 2 10 44 2 11 31 1 53 12 -1 54 13 -2 14 16 2 14 18 1 15 17 2 15 19 1 16 20 1 17 21 1 18 22 2 19 23 2 20 25 2 21 26 2 22 32 1 23 33 1 24 27 2 24 41 1 25 46 1 26 47 1 27 48 1 28 40 2 28 50 1 29 43 2 29 49 1 30 32 1 31 43 1 33 42 1 34 38 1 51 34 -2 35 46 1 35 47 1 36 43 1 36 53 1 37 45 1 37 55 1 38 41 1 39 42 1 55 39 -2 40 44 1 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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
(6692, '5b-Hydroxyrichardianidin 1', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:2]15[CH2:3][C@@:4]([CH3:18])([C:19](=O)O1)[C@@:5]4(O)[C@@H:6](O[C:6001]([CH3:6002])=O)[C@@:11]2([H])[C:9](=[C:8]([CH3:17])[C:7](=O)O[C@@H:12]2[c:13]3[cH:14][cH:15]o[cH:16]3)[C@@:10]4([CH3:20])[CH2:1]5', '[H][C@@]15C[C@@](C)(C(=O)O1)[C@@]4(O)[C@@H](OC(C)=O)[C@@]2([H])C(=C(C)C(=O)O[C@@H]2c3ccoc3)[C@@]4(C)C5', '[H][C@@:75]15[CH2:42][C@@:47]([CH3:16])([C:179](=O)O1)[C@@:84]4(O)[C@@H:81](O[C:168]([CH3:25])=O)[C@@:49]2([H])[C:159](=[C:121]([CH3:13])[C:166](=O)O[C@@H:74]2[c:122]3[cH:109][cH:144]o[cH:142]3)[C@@:51]4([CH3:25])[CH2:40]5', '32 36 H 10.74 -9.31 H 16.74 -11.26 C:6002 14.97 -15.70 C:17 15.04 -6.84 C:18 12.69 -13.26 C:20 13.93 -8.35 O 13.58 -13.84 O 17.94 -6.55 O 14.89 -10.50 O 13.96 -12.63 C:15 20.36 -12.90 C:14 19.91 -11.53 C:16 18.01 -12.90 C:3 11.44 -11.22 C:1 12.69 -9.04 O 15.79 -13.04 O 18.19 -9.01 O 12.28 -10.59 O 19.20 -13.75 C:6001 14.97 -14.24 C:8 15.92 -7.99 C:7 17.37 -7.84 C:19 13.49 -10.59 C:9 15.33 -9.32 C:13 18.47 -11.53 C:12 17.62 -10.34 C:6 15.33 -11.67 C:2 11.44 -9.75 C:4 12.69 -11.95 C:10 13.93 -9.75 C:11 16.18 -10.48 C:5 13.93 -11.22 28 1 -2 31 2 -2 3 20 1 4 21 1 29 5 -2 30 6 -1 7 20 2 8 22 2 9 23 2 32 10 -1 11 12 2 11 19 1 12 25 1 13 19 1 13 25 2 14 28 1 14 29 1 15 28 1 15 30 1 16 20 1 27 16 -2 17 22 1 17 26 1 18 23 1 18 28 1 21 22 1 21 24 2 23 29 1 24 30 1 24 31 1 26 25 -2 26 31 1 27 31 1 27 32 1 29 32 1 30 32 1', '32 36 H 10.74 -9.31 H 16.74 -11.26 C 14.97 -15.70 C 15.04 -6.84 C 12.69 -13.26 C 13.93 -8.35 O 13.58 -13.84 O 17.94 -6.55 O 14.89 -10.50 O 13.96 -12.63 C 20.36 -12.90 C 19.91 -11.53 C 18.01 -12.90 C 11.44 -11.22 C 12.69 -9.04 O 15.79 -13.04 O 18.19 -9.01 O 12.28 -10.59 O 19.20 -13.75 C 14.97 -14.24 C 15.92 -7.99 C 17.37 -7.84 C 13.49 -10.59 C 15.33 -9.32 C 18.47 -11.53 C 17.62 -10.34 C 15.33 -11.67 C 11.44 -9.75 C 12.69 -11.95 C 13.93 -9.75 C 16.18 -10.48 C 13.93 -11.22 28 1 -2 31 2 -2 3 20 1 4 21 1 29 5 -2 30 6 -1 7 20 2 8 22 2 9 23 2 32 10 -1 11 12 2 11 19 1 12 25 1 13 19 1 13 25 2 14 28 1 14 29 1 15 28 1 15 30 1 16 20 1 27 16 -2 17 22 1 17 26 1 18 23 1 18 28 1 21 22 1 21 24 2 23 29 1 24 30 1 24 31 1 26 25 -2 26 31 1 27 31 1 27 32 1 29 32 1 30 32 1', '32 36 H 10.74 -9.31 H 16.74 -11.26 C:25 14.97 -15.70 C:13 15.04 -6.84 C:16 12.69 -13.26 C:25 13.93 -8.35 O 13.58 -13.84 O 17.94 -6.55 O 14.89 -10.50 O 13.96 -12.63 C:144 20.36 -12.90 C:109 19.91 -11.53 C:142 18.01 -12.90 C:42 11.44 -11.22 C:40 12.69 -9.04 O 15.79 -13.04 O 18.19 -9.01 O 12.28 -10.59 O 19.20 -13.75 C:168 14.97 -14.24 C:121 15.92 -7.99 C:166 17.37 -7.84 C:179 13.49 -10.59 C:159 15.33 -9.32 C:122 18.47 -11.53 C:74 17.62 -10.34 C:81 15.33 -11.67 C:75 11.44 -9.75 C:47 12.69 -11.95 C:51 13.93 -9.75 C:49 16.18 -10.48 C:84 13.93 -11.22 28 1 -2 31 2 -2 3 20 1 4 21 1 29 5 -2 30 6 -1 7 20 2 8 22 2 9 23 2 32 10 -1 11 12 2 11 19 1 12 25 1 13 19 1 13 25 2 14 28 1 14 29 1 15 28 1 15 30 1 16 20 1 27 16 -2 17 22 1 17 26 1 18 23 1 18 28 1 21 22 1 21 24 2 23 29 1 24 30 1 24 31 1 26 25 -2 26 31 1 27 31 1 27 32 1 29 32 1 30 32 1', 'C22H24O8', 416.246, 'C', 'np96_224_6', 1568, '', '', '1', 1, NULL, NULL),
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(6706, 'Euphoractine E', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:9]45[CH2:8][CH2:7][C@@:6]2([CH3:17])[C@H:5](O)[C:4]1=[C:15]([CH2:1][C@H:2]([CH3:16])[C@@H:3]1O)[C:14](=O)[C@@:13]2([CH3:20])[C@H:12](O[C:12001](=O)[CH:12002]=[CH:12003][c:12004]3[cH:12005][cH:12006][cH:12007][cH:12008][cH:12009]3)[C@@:11]4([H])[C@:10]5([CH3:19])[CH3:18]', '[H][C@]45CC[C@@]2(C)[C@H](O)C1=C(C[C@H](C)[C@@H]1O)C(=O)[C@@]2(C)[C@H](OC(=O)C=Cc3ccccc3)[C@@]4([H])[C@]5(C)C', '[H][C@:25]45[CH2:20][CH2:33][C@@:48]2([CH3:18])[C@H:65](O)[C:158]1=[C:138]([CH2:35][C@H:36]([CH3:16])[C@@H:78]1O)[C:199](=O)[C@@:61]2([CH3:12])[C@H:71](O[C:166](=O)[CH:119]=[CH:146][c:134]3[cH:129][cH:128][cH:131][cH:128][cH:129]3)[C@@:30]4([H])[C@:21]5([CH3:14])[CH3:28]', '36 40 H 19.92 -15.28 H 18.49 -12.59 C:16 9.90 -14.79 C:19 20.54 -12.47 C:18 21.23 -14.09 C:17 16.03 -16.94 C:20 16.03 -12.41 O 19.60 -11.79 O 14.79 -11.92 O 11.72 -17.31 O 14.79 -17.65 C:12002 18.36 -9.64 C:12003 19.61 -8.92 C:12007 19.61 -4.68 C:12006 20.83 -5.38 C:12008 18.40 -5.38 C:12005 20.83 -6.79 C:12009 18.40 -6.79 C:8 18.48 -16.04 C:7 17.13 -16.35 C:1 12.17 -13.62 O 17.13 -11.79 C:12001 18.36 -11.06 C:14 14.79 -13.35 C:15 13.52 -14.06 C:4 13.52 -15.50 C:12004 19.61 -7.49 C:2 11.34 -14.79 C:3 12.17 -15.93 C:5 14.79 -16.21 C:12 17.13 -13.21 C:10 19.87 -13.63 C:9 19.08 -14.79 C:6 16.03 -15.50 C:13 16.03 -14.06 C:11 18.48 -13.53 33 1 -2 36 2 -2 28 3 -1 32 4 -1 32 5 -2 34 6 -2 35 7 -2 8 23 2 9 24 2 29 10 -1 30 11 -2 12 13 2 12 23 1 13 27 1 14 15 2 14 16 1 15 17 1 16 18 2 17 27 2 18 27 1 19 20 1 19 33 1 20 34 1 21 25 1 21 28 1 22 23 1 31 22 -2 24 25 1 24 35 1 25 26 2 26 29 1 26 30 1 28 29 1 30 34 1 31 35 1 31 36 1 32 33 1 32 36 1 33 36 1 34 35 1', '36 40 H 19.92 -15.28 H 18.49 -12.59 C 9.90 -14.79 C 20.54 -12.47 C 21.23 -14.09 C 16.03 -16.94 C 16.03 -12.41 O 19.60 -11.79 O 14.79 -11.92 O 11.72 -17.31 O 14.79 -17.65 C 18.36 -9.64 C 19.61 -8.92 C 19.61 -4.68 C 20.83 -5.38 C 18.40 -5.38 C 20.83 -6.79 C 18.40 -6.79 C 18.48 -16.04 C 17.13 -16.35 C 12.17 -13.62 O 17.13 -11.79 C 18.36 -11.06 C 14.79 -13.35 C 13.52 -14.06 C 13.52 -15.50 C 19.61 -7.49 C 11.34 -14.79 C 12.17 -15.93 C 14.79 -16.21 C 17.13 -13.21 C 19.87 -13.63 C 19.08 -14.79 C 16.03 -15.50 C 16.03 -14.06 C 18.48 -13.53 33 1 -2 36 2 -2 28 3 -1 32 4 -1 32 5 -2 34 6 -2 35 7 -2 8 23 2 9 24 2 29 10 -1 30 11 -2 12 13 2 12 23 1 13 27 1 14 15 2 14 16 1 15 17 1 16 18 2 17 27 2 18 27 1 19 20 1 19 33 1 20 34 1 21 25 1 21 28 1 22 23 1 31 22 -2 24 25 1 24 35 1 25 26 2 26 29 1 26 30 1 28 29 1 30 34 1 31 35 1 31 36 1 32 33 1 32 36 1 33 36 1 34 35 1', '36 40 H 19.92 -15.28 H 18.49 -12.59 C:16 9.90 -14.79 C:14 20.54 -12.47 C:28 21.23 -14.09 C:18 16.03 -16.94 C:12 16.03 -12.41 O 19.60 -11.79 O 14.79 -11.92 O 11.72 -17.31 O 14.79 -17.65 C:119 18.36 -9.64 C:146 19.61 -8.92 C:131 19.61 -4.68 C:128 20.83 -5.38 C:128 18.40 -5.38 C:129 20.83 -6.79 C:129 18.40 -6.79 C:20 18.48 -16.04 C:33 17.13 -16.35 C:35 12.17 -13.62 O 17.13 -11.79 C:166 18.36 -11.06 C:199 14.79 -13.35 C:138 13.52 -14.06 C:158 13.52 -15.50 C:134 19.61 -7.49 C:36 11.34 -14.79 C:78 12.17 -15.93 C:65 14.79 -16.21 C:71 17.13 -13.21 C:21 19.87 -13.63 C:25 19.08 -14.79 C:48 16.03 -15.50 C:61 16.03 -14.06 C:30 18.48 -13.53 33 1 -2 36 2 -2 28 3 -1 32 4 -1 32 5 -2 34 6 -2 35 7 -2 8 23 2 9 24 2 29 10 -1 30 11 -2 12 13 2 12 23 1 13 27 1 14 15 2 14 16 1 15 17 1 16 18 2 17 27 2 18 27 1 19 20 1 19 33 1 20 34 1 21 25 1 21 28 1 22 23 1 31 22 -2 24 25 1 24 35 1 25 26 2 26 29 1 26 30 1 28 29 1 30 34 1 31 35 1 31 36 1 32 33 1 32 36 1 33 36 1 34 35 1', 'C29H36O5', 464.323, 'C', 'ph38_1445_5', 2044, '', '', '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
(6707, 'Cordylane A', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@@:8]24[CH2:7][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]1([H])[C@:10]([CH3:20])([CH2:1][CH2:2][CH2:3][C@:4]1([CH2:18]O)[CH2:19]O[C:19001]([CH3:19002])=O)[C@@:9]2([H])[CH2:11][c:12]3o[cH:16][cH:15][c:13]3[C@@H:14]4[CH3:17]', '[H][C@@]24C[C@@H](OC(C)=O)[C@]1([H])[C@](C)(CCC[C@]1(CO)COC(C)=O)[C@@]2([H])Cc3occc3[C@@H]4C', '[H][C@@:31]24[CH2:36][C@@H:70](O[C:170]([CH3:21])=O)[C@:50]1([H])[C@:38]([CH3:18])([CH2:41][CH2:18][CH2:31][C@:43]1([CH2:68]O)[CH2:65]O[C:170]([CH3:20])=O)[C@@:46]2([H])[CH2:22][c:150]3o[cH:141][cH:110][c:123]3[C@@H:31]4[CH3:18]', '33 36 H 18.46 -9.47 H 17.20 -10.77 H 15.94 -12.92 C:19002 10.20 -14.71 C:6002 18.42 -16.22 C:17 20.97 -10.51 C:20 15.94 -9.05 O 12.16 -16.14 O 19.63 -14.11 O 14.84 -15.15 C:16 20.15 -6.09 C:15 20.73 -7.37 C:2 13.39 -10.54 C:18 15.46 -13.90 C:1 14.67 -9.78 C:3 13.39 -11.99 C:19 13.82 -13.89 C:11 17.20 -8.32 C:7 18.46 -11.99 O 12.41 -13.73 O 17.20 -14.13 O 18.76 -6.24 C:19001 11.59 -14.86 C:6001 18.42 -14.82 C:12 18.46 -7.61 C:13 19.70 -8.32 C:14 19.70 -9.78 C:6 17.20 -12.73 C:8 18.46 -10.54 C:9 17.20 -9.78 C:10 15.94 -10.54 C:4 14.67 -12.73 C:5 15.94 -11.99 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -2 15 31 1 16 32 1 17 20 1 32 17 -1 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', '33 36 H 18.46 -9.47 H 17.20 -10.77 H 15.94 -12.92 C 10.20 -14.71 C 18.42 -16.22 C 20.97 -10.51 C 15.94 -9.05 O 12.16 -16.14 O 19.63 -14.11 O 14.84 -15.15 C 20.15 -6.09 C 20.73 -7.37 C 13.39 -10.54 C 15.46 -13.90 C 14.67 -9.78 C 13.39 -11.99 C 13.82 -13.89 C 17.20 -8.32 C 18.46 -11.99 O 12.41 -13.73 O 17.20 -14.13 O 18.76 -6.24 C 11.59 -14.86 C 18.42 -14.82 C 18.46 -7.61 C 19.70 -8.32 C 19.70 -9.78 C 17.20 -12.73 C 18.46 -10.54 C 17.20 -9.78 C 15.94 -10.54 C 14.67 -12.73 C 15.94 -11.99 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -2 15 31 1 16 32 1 17 20 1 32 17 -1 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', '33 36 H 18.46 -9.47 H 17.20 -10.77 H 15.94 -12.92 C:20 10.20 -14.71 C:21 18.42 -16.22 C:18 20.97 -10.51 C:18 15.94 -9.05 O 12.16 -16.14 O 19.63 -14.11 O 14.84 -15.15 C:141 20.15 -6.09 C:110 20.73 -7.37 C:18 13.39 -10.54 C:68 15.46 -13.90 C:41 14.67 -9.78 C:31 13.39 -11.99 C:65 13.82 -13.89 C:22 17.20 -8.32 C:36 18.46 -11.99 O 12.41 -13.73 O 17.20 -14.13 O 18.76 -6.24 C:170 11.59 -14.86 C:170 18.42 -14.82 C:150 18.46 -7.61 C:123 19.70 -8.32 C:31 19.70 -9.78 C:70 17.20 -12.73 C:31 18.46 -10.54 C:46 17.20 -9.78 C:38 15.94 -10.54 C:43 14.67 -12.73 C:50 15.94 -11.99 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -2 15 31 1 16 32 1 17 20 1 32 17 -1 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', 'C24H34O6', 418.277, 'B', 'np08_150_1', 910, '', '', '1', 1, NULL, NULL),
(6708, 'Cordylane B', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@@:8]24[CH2:7][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]1([H])[C@:10]([CH3:20])([CH2:1][CH2:2][CH2:3][C@@:4]1([CH2:19]O)[CH2:18]O[C:18001]([CH3:18002])=O)[C@@:9]2([H])[CH2:11][c:12]3o[cH:16][cH:15][c:13]3[C@@H:14]4[CH3:17]', '[H][C@@]24C[C@@H](OC(C)=O)[C@]1([H])[C@](C)(CCC[C@@]1(CO)COC(C)=O)[C@@]2([H])Cc3occc3[C@@H]4C', '[H][C@@:31]24[CH2:37][C@@H:72](O[C:171]([CH3:21])=O)[C@:54]1([H])[C@:38]([CH3:18])([CH2:41][CH2:18][CH2:30][C@@:44]1([CH2:61]O)[CH2:71]O[C:169]([CH3:21])=O)[C@@:46]2([H])[CH2:22][c:150]3o[cH:141][cH:110][c:123]3[C@@H:31]4[CH3:18]', '33 36 H 17.34 -8.80 H 16.08 -10.10 H 14.82 -12.25 C:18002 13.87 -16.90 C:6002 17.30 -15.55 C:17 19.85 -9.84 C:20 14.82 -8.38 O 15.89 -15.54 O 18.51 -13.44 O 11.29 -13.06 C:16 19.03 -5.42 C:15 19.61 -6.70 C:2 12.27 -9.87 C:19 12.70 -13.22 C:1 13.55 -9.11 C:3 12.27 -11.32 C:18 14.34 -13.23 C:11 16.08 -7.65 C:7 17.34 -11.32 O 13.72 -14.48 O 16.08 -13.46 O 17.64 -5.57 C:18001 14.49 -15.64 C:6001 17.30 -14.15 C:12 17.34 -6.94 C:13 18.58 -7.65 C:14 18.58 -9.11 C:6 16.08 -12.06 C:8 17.34 -9.87 C:9 16.08 -9.11 C:10 14.82 -9.87 C:4 13.55 -12.06 C:5 14.82 -11.32 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -1 15 31 1 16 32 1 17 20 1 32 17 -2 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', '33 36 H 17.34 -8.80 H 16.08 -10.10 H 14.82 -12.25 C 13.87 -16.90 C 17.30 -15.55 C 19.85 -9.84 C 14.82 -8.38 O 15.89 -15.54 O 18.51 -13.44 O 11.29 -13.06 C 19.03 -5.42 C 19.61 -6.70 C 12.27 -9.87 C 12.70 -13.22 C 13.55 -9.11 C 12.27 -11.32 C 14.34 -13.23 C 16.08 -7.65 C 17.34 -11.32 O 13.72 -14.48 O 16.08 -13.46 O 17.64 -5.57 C 14.49 -15.64 C 17.30 -14.15 C 17.34 -6.94 C 18.58 -7.65 C 18.58 -9.11 C 16.08 -12.06 C 17.34 -9.87 C 16.08 -9.11 C 14.82 -9.87 C 13.55 -12.06 C 14.82 -11.32 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -1 15 31 1 16 32 1 17 20 1 32 17 -2 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', '33 36 H 17.34 -8.80 H 16.08 -10.10 H 14.82 -12.25 C:21 13.87 -16.90 C:21 17.30 -15.55 C:18 19.85 -9.84 C:18 14.82 -8.38 O 15.89 -15.54 O 18.51 -13.44 O 11.29 -13.06 C:141 19.03 -5.42 C:110 19.61 -6.70 C:18 12.27 -9.87 C:61 12.70 -13.22 C:41 13.55 -9.11 C:30 12.27 -11.32 C:71 14.34 -13.23 C:22 16.08 -7.65 C:37 17.34 -11.32 O 13.72 -14.48 O 16.08 -13.46 O 17.64 -5.57 C:169 14.49 -15.64 C:171 17.30 -14.15 C:150 17.34 -6.94 C:123 18.58 -7.65 C:31 18.58 -9.11 C:72 16.08 -12.06 C:31 17.34 -9.87 C:46 16.08 -9.11 C:38 14.82 -9.87 C:44 13.55 -12.06 C:54 14.82 -11.32 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -1 15 31 1 16 32 1 17 20 1 32 17 -2 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', 'C24H34O6', 418.277, 'B', 'np08_150_2', 910, '', '', '1', 1, NULL, NULL),
(6709, 'Cordylane B', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@@:8]24[CH2:7][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]1([H])[C@:10]([CH3:20])([CH2:1][CH2:2][CH2:3][C@@:4]1([CH2:19]O)[CH2:18]O[C:18001]([CH3:18002])=O)[C@@:9]2([H])[CH2:11][c:12]3o[cH:16][cH:15][c:13]3[C@@H:14]4[CH3:17]', '[H][C@@]24C[C@@H](OC(C)=O)[C@]1([H])[C@](C)(CCC[C@@]1(CO)COC(C)=O)[C@@]2([H])Cc3occc3[C@@H]4C', '[H][C@@:32]24[CH2:37][C@@H:72](O[C:173]([CH3:22])=O)[C@:54]1([H])[C@:39]([CH3:19])([CH2:43][CH2:19][CH2:31][C@@:44]1([CH2:71]O)[CH2:61]O[C:172]([CH3:21])=O)[C@@:47]2([H])[CH2:23][c:150]3o[cH:142][cH:110][c:123]3[C@@H:32]4[CH3:18]', '33 36 H 17.34 -8.80 H 16.08 -10.10 H 14.82 -12.25 C:18002 13.87 -16.90 C:6002 17.30 -15.55 C:17 19.85 -9.84 C:20 14.82 -8.38 O 15.89 -15.54 O 18.51 -13.44 O 11.29 -13.06 C:16 19.03 -5.42 C:15 19.61 -6.70 C:2 12.27 -9.87 C:19 12.70 -13.22 C:1 13.55 -9.11 C:3 12.27 -11.32 C:18 14.34 -13.23 C:11 16.08 -7.65 C:7 17.34 -11.32 O 13.72 -14.48 O 16.08 -13.46 O 17.64 -5.57 C:18001 14.49 -15.64 C:6001 17.30 -14.15 C:12 17.34 -6.94 C:13 18.58 -7.65 C:14 18.58 -9.11 C:6 16.08 -12.06 C:8 17.34 -9.87 C:9 16.08 -9.11 C:10 14.82 -9.87 C:4 13.55 -12.06 C:5 14.82 -11.32 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -1 15 31 1 16 32 1 17 20 1 32 17 -2 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', '33 36 H 17.34 -8.80 H 16.08 -10.10 H 14.82 -12.25 C 13.87 -16.90 C 17.30 -15.55 C 19.85 -9.84 C 14.82 -8.38 O 15.89 -15.54 O 18.51 -13.44 O 11.29 -13.06 C 19.03 -5.42 C 19.61 -6.70 C 12.27 -9.87 C 12.70 -13.22 C 13.55 -9.11 C 12.27 -11.32 C 14.34 -13.23 C 16.08 -7.65 C 17.34 -11.32 O 13.72 -14.48 O 16.08 -13.46 O 17.64 -5.57 C 14.49 -15.64 C 17.30 -14.15 C 17.34 -6.94 C 18.58 -7.65 C 18.58 -9.11 C 16.08 -12.06 C 17.34 -9.87 C 16.08 -9.11 C 14.82 -9.87 C 13.55 -12.06 C 14.82 -11.32 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -1 15 31 1 16 32 1 17 20 1 32 17 -2 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', '33 36 H 17.34 -8.80 H 16.08 -10.10 H 14.82 -12.25 C:21 13.87 -16.90 C:22 17.30 -15.55 C:18 19.85 -9.84 C:19 14.82 -8.38 O 15.89 -15.54 O 18.51 -13.44 O 11.29 -13.06 C:142 19.03 -5.42 C:110 19.61 -6.70 C:19 12.27 -9.87 C:71 12.70 -13.22 C:43 13.55 -9.11 C:31 12.27 -11.32 C:61 14.34 -13.23 C:23 16.08 -7.65 C:37 17.34 -11.32 O 13.72 -14.48 O 16.08 -13.46 O 17.64 -5.57 C:172 14.49 -15.64 C:173 17.30 -14.15 C:150 17.34 -6.94 C:123 18.58 -7.65 C:32 18.58 -9.11 C:72 16.08 -12.06 C:32 17.34 -9.87 C:47 16.08 -9.11 C:39 14.82 -9.87 C:44 13.55 -12.06 C:54 14.82 -11.32 29 1 -1 30 2 -2 33 3 -2 4 23 1 5 24 1 27 6 -2 31 7 -1 8 23 2 9 24 2 10 14 1 11 12 2 11 22 1 12 26 1 13 15 1 13 16 1 32 14 -1 15 31 1 16 32 1 17 20 1 32 17 -2 18 25 1 18 30 1 19 28 1 19 29 1 20 23 1 21 24 1 28 21 -1 22 25 1 25 26 2 26 27 1 27 29 1 28 33 1 29 30 1 30 31 1 31 33 1 32 33 1', 'C24H34O6', 418.277, 'C', 'np08_150_2', 910, '', '', '1', 1, NULL, NULL),
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