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
(6726, '', '15-Oxolabda-8(17),11(Z),13(Z)-trien-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH:11]=[CH:12][C:13]([CH3:16])=[CH:14][CH:15]=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](C=CC(C)=CC=O)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:56]12[CH2:25][CH2:37][C:149](=[CH2:109])[C@H:61]([CH:138]=[CH:128][C:154]([CH3:22])=[CH:128][CH:190]=O)[C@@:40]1([CH3:14])[CH2:40][CH2:20][CH2:38][C@:44]2([CH3:29])[C:183](=O)O', '24 25 H 14.30 -13.80 C:17 17.77 -10.82 C:16 18.09 -10.21 C:18 14.01 -14.64 C:20 14.30 -9.90 O 20.47 -6.28 O 10.65 -14.32 O 12.48 -16.00 C:15 19.31 -7.03 C:14 19.31 -8.42 C:12 16.83 -8.44 C:11 15.56 -9.15 C:2 11.77 -11.37 C:7 16.83 -12.82 C:3 11.77 -12.82 C:1 13.04 -10.64 C:6 15.56 -13.55 C:13 18.09 -9.15 C:8 16.83 -11.37 C:19 12.04 -14.63 C:9 15.56 -10.64 C:5 14.30 -12.82 C:4 13.04 -13.55 C:10 14.30 -11.37 22 1 -2 2 19 2 3 18 1 23 4 -2 24 5 -1 6 9 2 7 20 2 8 20 1 9 10 1 10 18 2 11 12 2 11 18 1 21 12 -1 13 15 1 13 16 1 14 17 1 14 19 1 15 23 1 16 24 1 17 22 1 19 21 1 23 20 -1 21 24 1 22 23 1 22 24 1', '24 25 H 14.30 -13.80 C 17.77 -10.82 C 18.09 -10.21 C 14.01 -14.64 C 14.30 -9.90 O 20.47 -6.28 O 10.65 -14.32 O 12.48 -16.00 C 19.31 -7.03 C 19.31 -8.42 C 16.83 -8.44 C 15.56 -9.15 C 11.77 -11.37 C 16.83 -12.82 C 11.77 -12.82 C 13.04 -10.64 C 15.56 -13.55 C 18.09 -9.15 C 16.83 -11.37 C 12.04 -14.63 C 15.56 -10.64 C 14.30 -12.82 C 13.04 -13.55 C 14.30 -11.37 22 1 -2 2 19 2 3 18 1 23 4 -2 24 5 -1 6 9 2 7 20 2 8 20 1 9 10 1 10 18 2 11 12 2 11 18 1 21 12 -1 13 15 1 13 16 1 14 17 1 14 19 1 15 23 1 16 24 1 17 22 1 19 21 1 23 20 -1 21 24 1 22 23 1 22 24 1', '24 25 H 14.30 -13.80 C:109 17.77 -10.82 C:22 18.09 -10.21 C:29 14.01 -14.64 C:14 14.30 -9.90 O 20.47 -6.28 O 10.65 -14.32 O 12.48 -16.00 C:190 19.31 -7.03 C:128 19.31 -8.42 C:128 16.83 -8.44 C:138 15.56 -9.15 C:20 11.77 -11.37 C:37 16.83 -12.82 C:38 11.77 -12.82 C:40 13.04 -10.64 C:25 15.56 -13.55 C:154 18.09 -9.15 C:149 16.83 -11.37 C:183 12.04 -14.63 C:61 15.56 -10.64 C:56 14.30 -12.82 C:44 13.04 -13.55 C:40 14.30 -11.37 22 1 -2 2 19 2 3 18 1 23 4 -2 24 5 -1 6 9 2 7 20 2 8 20 1 9 10 1 10 18 2 11 12 2 11 18 1 21 12 -1 13 15 1 13 16 1 14 17 1 14 19 1 15 23 1 16 24 1 17 22 1 19 21 1 23 20 -1 21 24 1 22 23 1 22 24 1', 'C20H28O3', 316.22, 'C', 'np00_1381_2', 985, '', '', '1', 1, NULL, NULL),
(6727, '', '12-Oxo-11-nordrim-8-en-14-oic Acid', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C:5]12[CH2:6][CH2:7][C:8]([CH:12]=O)=[CH:9][C@@:10]1([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:13])[C:14](=O)O', '[H]C12CCC(C=O)=C[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C:52]12[CH2:20][CH2:24][C:138]([CH:195]=O)=[CH:161][C@@:37]1([CH3:19])[CH2:38][CH2:19][CH2:38][C@:44]2([CH3:28])[C:181](=O)O', '18 19 H 14.84 -12.08 C:15 14.84 -8.19 C:13 14.34 -12.94 O 19.77 -9.59 O 11.33 -12.54 O 13.19 -14.12 C:12 18.56 -8.90 C:9 16.09 -8.90 C:2 12.37 -9.64 C:7 17.32 -11.05 C:1 13.61 -8.90 C:3 12.37 -11.05 C:6 16.09 -11.76 C:14 12.71 -12.80 C:8 17.32 -9.64 C:10 14.84 -9.64 C:5 14.84 -11.05 C:4 13.61 -11.76 1 17 1 16 2 -1 18 3 -2 4 7 2 5 14 2 6 14 1 7 15 1 8 15 2 8 16 1 9 11 1 9 12 1 10 13 1 10 15 1 11 16 1 12 18 1 13 17 1 18 14 -1 16 17 1 17 18 1', '18 19 H 14.84 -12.08 C 14.84 -8.19 C 14.34 -12.94 O 19.77 -9.59 O 11.33 -12.54 O 13.19 -14.12 C 18.56 -8.90 C 16.09 -8.90 C 12.37 -9.64 C 17.32 -11.05 C 13.61 -8.90 C 12.37 -11.05 C 16.09 -11.76 C 12.71 -12.80 C 17.32 -9.64 C 14.84 -9.64 C 14.84 -11.05 C 13.61 -11.76 1 17 1 16 2 -1 18 3 -2 4 7 2 5 14 2 6 14 1 7 15 1 8 15 2 8 16 1 9 11 1 9 12 1 10 13 1 10 15 1 11 16 1 12 18 1 13 17 1 18 14 -1 16 17 1 17 18 1', '18 19 H 14.84 -12.08 C:19 14.84 -8.19 C:28 14.34 -12.94 O 19.77 -9.59 O 11.33 -12.54 O 13.19 -14.12 C:195 18.56 -8.90 C:161 16.09 -8.90 C:19 12.37 -9.64 C:24 17.32 -11.05 C:38 13.61 -8.90 C:38 12.37 -11.05 C:20 16.09 -11.76 C:181 12.71 -12.80 C:138 17.32 -9.64 C:37 14.84 -9.64 C:52 14.84 -11.05 C:44 13.61 -11.76 1 17 1 16 2 -1 18 3 -2 4 7 2 5 14 2 6 14 1 7 15 1 8 15 2 8 16 1 9 11 1 9 12 1 10 13 1 10 15 1 11 16 1 12 18 1 13 17 1 18 14 -1 16 17 1 17 18 1', 'C14H20O3', 236.156, 'C', 'np00_1381_3', 985, '', '', '1', 1, NULL, NULL),
(6728, 'Potamogetonol', '', '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([CH2:20]O)[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@]23CCC(=C)[C@@H](CCc1ccoc1)[C@]2(CO)CCC[C@@]3(C)COC(C)=O', '[H][C@:56]23[CH2:24][CH2:38][C:150](=[CH2:107])[C@@H:56]([CH2:25][CH2:24][c:125]1[cH:111][cH:43]o[cH:139]1)[C@:44]2([CH2:64]O)[CH2:34][CH2:19][CH2:36][C@@:37]3([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '27 29 H 16.68 -14.09 C:17 20.36 -11.00 C:19002 10.80 -15.30 C:18 16.40 -14.90 O 12.59 -16.95 O 15.47 -9.59 C:15 19.83 -5.29 C:14 20.28 -6.62 C:16 18.01 -6.62 C:2 14.20 -11.72 C:20 16.68 -10.29 C:7 19.14 -13.14 C:12 19.14 -8.87 C:11 17.91 -9.58 C:3 14.20 -13.14 C:1 15.45 -11.00 C:6 17.91 -13.86 C:19 14.48 -14.89 O 13.12 -14.58 O 18.44 -5.29 C:19001 12.17 -15.61 C:8 19.14 -11.72 C:13 19.14 -7.45 C:9 17.91 -11.00 C:5 16.68 -13.14 C:4 15.45 -13.86 C:10 16.68 -11.72 25 1 -1 2 22 2 3 21 1 26 4 -1 5 21 2 6 11 1 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 15 1 10 16 1 27 11 -2 12 17 1 12 22 1 13 14 1 13 23 1 24 14 -2 15 26 1 16 27 1 17 25 1 18 19 1 26 18 -2 19 21 1 22 24 1 24 27 1 25 26 1 25 27 1', '27 29 H 16.68 -14.09 C 20.36 -11.00 C 10.80 -15.30 C 16.40 -14.90 O 12.59 -16.95 O 15.47 -9.59 C 19.83 -5.29 C 20.28 -6.62 C 18.01 -6.62 C 14.20 -11.72 C 16.68 -10.29 C 19.14 -13.14 C 19.14 -8.87 C 17.91 -9.58 C 14.20 -13.14 C 15.45 -11.00 C 17.91 -13.86 C 14.48 -14.89 O 13.12 -14.58 O 18.44 -5.29 C 12.17 -15.61 C 19.14 -11.72 C 19.14 -7.45 C 17.91 -11.00 C 16.68 -13.14 C 15.45 -13.86 C 16.68 -11.72 25 1 -1 2 22 2 3 21 1 26 4 -1 5 21 2 6 11 1 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 15 1 10 16 1 27 11 -2 12 17 1 12 22 1 13 14 1 13 23 1 24 14 -2 15 26 1 16 27 1 17 25 1 18 19 1 26 18 -2 19 21 1 22 24 1 24 27 1 25 26 1 25 27 1', '27 29 H 16.68 -14.09 C:107 20.36 -11.00 C:21 10.80 -15.30 C:28 16.40 -14.90 O 12.59 -16.95 O 15.47 -9.59 C:43 19.83 -5.29 C:111 20.28 -6.62 C:139 18.01 -6.62 C:19 14.20 -11.72 C:64 16.68 -10.29 C:38 19.14 -13.14 C:24 19.14 -8.87 C:25 17.91 -9.58 C:36 14.20 -13.14 C:34 15.45 -11.00 C:24 17.91 -13.86 C:67 14.48 -14.89 O 13.12 -14.58 O 18.44 -5.29 C:171 12.17 -15.61 C:150 19.14 -11.72 C:125 19.14 -7.45 C:56 17.91 -11.00 C:56 16.68 -13.14 C:37 15.45 -13.86 C:44 16.68 -11.72 25 1 -1 2 22 2 3 21 1 26 4 -1 5 21 2 6 11 1 7 8 2 7 20 1 8 23 1 9 20 1 9 23 2 10 15 1 10 16 1 27 11 -2 12 17 1 12 22 1 13 14 1 13 23 1 24 14 -2 15 26 1 16 27 1 17 25 1 18 19 1 26 18 -2 19 21 1 22 24 1 24 27 1 25 26 1 25 27 1', 'C22H32O4', 360.241, 'C', 'np01_385_4', 1153, '', '', '1', 1, NULL, NULL),
(6729, 'Pacovatinins A', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][C@H:7](O)[C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]1[CH2:14][CH2:15]O[C:16]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23C[C@H](O)C(=C)[C@H](CC=C1CCOC1=O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:54]23[CH2:35][C@H:74](O)[C:152](=[CH2:105])[C@H:56]([CH2:26][CH:143]=[C:127]1[CH2:26][CH2:67]O[C:174]1=O)[C@@:40]2([CH3:15])[CH2:40][CH2:20][CH2:43][C@:34]3([CH3:34])[CH3:22]', '24 26 H 14.29 -15.02 C:17 17.96 -11.96 C:18 14.23 -16.03 C:19 12.14 -15.81 C:20 14.29 -11.23 O 19.22 -8.06 O 17.95 -14.77 C:12 16.75 -9.82 C:2 11.87 -12.67 C:15 16.06 -6.29 C:11 15.52 -10.53 C:14 15.62 -7.63 C:3 11.87 -14.08 C:1 13.08 -11.96 C:6 15.52 -14.80 O 17.43 -6.29 C:8 16.75 -12.67 C:16 17.89 -7.63 C:13 16.75 -8.42 C:7 16.75 -14.08 C:9 15.52 -11.96 C:4 13.08 -14.80 C:5 14.29 -14.08 C:10 14.29 -12.67 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 20 7 -1 8 11 1 8 19 2 9 13 1 9 14 1 10 12 1 10 16 1 21 11 -1 12 19 1 13 22 1 14 24 1 15 20 1 15 23 1 16 18 1 17 20 1 17 21 1 18 19 1 21 24 1 22 23 1 23 24 1', '24 26 H 14.29 -15.02 C 17.96 -11.96 C 14.23 -16.03 C 12.14 -15.81 C 14.29 -11.23 O 19.22 -8.06 O 17.95 -14.77 C 16.75 -9.82 C 11.87 -12.67 C 16.06 -6.29 C 15.52 -10.53 C 15.62 -7.63 C 11.87 -14.08 C 13.08 -11.96 C 15.52 -14.80 O 17.43 -6.29 C 16.75 -12.67 C 17.89 -7.63 C 16.75 -8.42 C 16.75 -14.08 C 15.52 -11.96 C 13.08 -14.80 C 14.29 -14.08 C 14.29 -12.67 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 20 7 -1 8 11 1 8 19 2 9 13 1 9 14 1 10 12 1 10 16 1 21 11 -1 12 19 1 13 22 1 14 24 1 15 20 1 15 23 1 16 18 1 17 20 1 17 21 1 18 19 1 21 24 1 22 23 1 23 24 1', '24 26 H 14.29 -15.02 C:105 17.96 -11.96 C:34 14.23 -16.03 C:22 12.14 -15.81 C:15 14.29 -11.23 O 19.22 -8.06 O 17.95 -14.77 C:143 16.75 -9.82 C:20 11.87 -12.67 C:67 16.06 -6.29 C:26 15.52 -10.53 C:26 15.62 -7.63 C:43 11.87 -14.08 C:40 13.08 -11.96 C:35 15.52 -14.80 O 17.43 -6.29 C:152 16.75 -12.67 C:174 17.89 -7.63 C:127 16.75 -8.42 C:74 16.75 -14.08 C:56 15.52 -11.96 C:34 13.08 -14.80 C:54 14.29 -14.08 C:40 14.29 -12.67 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 20 7 -1 8 11 1 8 19 2 9 13 1 9 14 1 10 12 1 10 16 1 21 11 -1 12 19 1 13 22 1 14 24 1 15 20 1 15 23 1 16 18 1 17 20 1 17 21 1 18 19 1 21 24 1 22 23 1 23 24 1', 'C20H30O3', 318.22, 'M', 'np01_1102_1', 2007, '', '', '1', 1, NULL, NULL),
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(6743, 'Haterumaimide L', '', 'Alkaloids', 'Diterpenoids', 'Labdanes', '[H][C@:13]3([C@@H:12](O)[CH2:11][C@H:9]1[C:8]([CH3:17])=[CH:7][C:6](=O)[C@@:5]2([H])[C@@:4]([CH3:18])([CH3:19])[C@@H:3](Cl)[CH2:2][CH2:1][C@:10]12[CH3:20])[CH2:14][C:15](=O)N[C:16]3=O', '[H][C@]3([C@@H](O)C[C@H]1C(C)=CC(=O)[C@@]2([H])[C@@](C)(C)[C@@H](Cl)CC[C@]12C)CC(=O)NC3=O', '[H][C@:48]3([C@@H:70](O)[CH2:32][C@H:53]1[C:159]([CH3:23])=[CH:129][C:198](=O)[C@@:64]2([H])[C@@:39]([CH3:29])([CH3:16])[C@@H:73](Cl)[CH2:29][CH2:39][C@:43]12[CH3:15])[CH2:30][C:177](=O)N[C:180]3=O', '28 30 H 16.98 -9.38 H 15.41 -15.57 C:17 19.15 -12.44 C:18 15.00 -16.49 C:19 13.30 -16.38 C:20 15.41 -11.73 O 19.43 -5.53 O 16.65 -16.73 O 15.41 -8.45 O 19.13 -11.01 Cl 11.70 -15.28 C:7 17.89 -14.60 C:2 12.92 -13.17 C:1 14.17 -12.44 C:14 19.07 -8.03 C:11 16.65 -11.01 N 17.18 -6.68 C:8 17.89 -13.17 C:15 18.61 -6.68 C:6 16.65 -15.33 C:16 16.75 -8.03 C:12 17.89 -10.30 C:3 12.92 -14.60 C:9 16.65 -12.44 C:4 14.17 -15.33 C:13 17.89 -8.86 C:5 15.41 -14.60 C:10 15.41 -13.17 26 1 -1 27 2 -2 3 18 1 25 4 -2 25 5 -1 28 6 -1 7 19 2 8 20 2 9 21 2 22 10 -1 23 11 -1 12 18 2 12 20 1 13 14 1 13 23 1 14 28 1 15 19 1 15 26 1 16 22 1 24 16 -1 17 19 1 17 21 1 18 24 1 20 27 1 21 26 1 22 26 1 23 25 1 24 28 1 25 27 1 27 28 1', '28 30 H 16.98 -9.38 H 15.41 -15.57 C 19.15 -12.44 C 15.00 -16.49 C 13.30 -16.38 C 15.41 -11.73 O 19.43 -5.53 O 16.65 -16.73 O 15.41 -8.45 O 19.13 -11.01 Cl 11.70 -15.28 C 17.89 -14.60 C 12.92 -13.17 C 14.17 -12.44 C 19.07 -8.03 C 16.65 -11.01 N 17.18 -6.68 C 17.89 -13.17 C 18.61 -6.68 C 16.65 -15.33 C 16.75 -8.03 C 17.89 -10.30 C 12.92 -14.60 C 16.65 -12.44 C 14.17 -15.33 C 17.89 -8.86 C 15.41 -14.60 C 15.41 -13.17 26 1 -1 27 2 -2 3 18 1 25 4 -2 25 5 -1 28 6 -1 7 19 2 8 20 2 9 21 2 22 10 -1 23 11 -1 12 18 2 12 20 1 13 14 1 13 23 1 14 28 1 15 19 1 15 26 1 16 22 1 24 16 -1 17 19 1 17 21 1 18 24 1 20 27 1 21 26 1 22 26 1 23 25 1 24 28 1 25 27 1 27 28 1', '28 30 H 16.98 -9.38 H 15.41 -15.57 C:23 19.15 -12.44 C:29 15.00 -16.49 C:16 13.30 -16.38 C:15 15.41 -11.73 O 19.43 -5.53 O 16.65 -16.73 O 15.41 -8.45 O 19.13 -11.01 Cl 11.70 -15.28 C:129 17.89 -14.60 C:29 12.92 -13.17 C:39 14.17 -12.44 C:30 19.07 -8.03 C:32 16.65 -11.01 N 17.18 -6.68 C:159 17.89 -13.17 C:177 18.61 -6.68 C:198 16.65 -15.33 C:180 16.75 -8.03 C:70 17.89 -10.30 C:73 12.92 -14.60 C:53 16.65 -12.44 C:39 14.17 -15.33 C:48 17.89 -8.86 C:64 15.41 -14.60 C:43 15.41 -13.17 26 1 -1 27 2 -2 3 18 1 25 4 -2 25 5 -1 28 6 -1 7 19 2 8 20 2 9 21 2 22 10 -1 23 11 -1 12 18 2 12 20 1 13 14 1 13 23 1 14 28 1 15 19 1 15 26 1 16 22 1 24 16 -1 17 19 1 17 21 1 18 24 1 20 27 1 21 26 1 22 26 1 23 25 1 24 28 1 25 27 1 27 28 1', 'C20H28ClNO4', 381.687, 'M', 'np04_1415_6', 660, '', '', '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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(6745, '3b-Hydroxylissoclimide', '', 'Alkaloids', 'Diterpenoids', 'Labdanes', '[H][C@:13]3([C@@H:12](O)[CH2:11][C@H:9]1[C:8](=[CH2:17])[C@@H:7](O)[CH2:6][C@@:5]2([H])[C@@:4]([CH3:18])([CH3:19])[C@@H:3](O)[C@H:2](Cl)[CH2:1][C@:10]12[CH3:20])[CH2:14][C:15](=O)N[C:16]3=O', '[H][C@]3([C@@H](O)C[C@H]1C(=C)[C@@H](O)C[C@@]2([H])[C@@](C)(C)[C@@H](O)[C@H](Cl)C[C@]12C)CC(=O)NC3=O', '[H][C@:47]3([C@@H:68](O)[CH2:30][C@H:51]1[C:150](=[CH2:105])[C@@H:73](O)[CH2:33][C@@:53]2([H])[C@@:41]([CH3:29])([CH3:16])[C@@H:83](O)[C@H:63](Cl)[CH2:48][C@:41]12[CH3:15])[CH2:30][C:179](=O)N[C:181]3=O', '29 31 H 16.98 -9.49 H 15.41 -15.68 C:17 19.15 -12.55 C:18 15.00 -16.60 C:19 13.30 -16.49 C:20 15.41 -11.84 O 19.43 -5.64 O 15.41 -8.56 O 19.11 -15.40 O 19.13 -11.12 O 11.70 -15.39 Cl 11.70 -12.59 C:14 19.07 -8.14 C:11 16.65 -11.12 C:6 16.65 -15.44 C:1 14.17 -12.55 N 17.18 -6.79 C:15 18.61 -6.79 C:8 17.89 -13.28 C:16 16.75 -8.14 C:7 17.89 -14.71 C:12 17.89 -10.41 C:2 12.92 -13.28 C:3 12.92 -14.71 C:9 16.65 -12.55 C:4 14.17 -15.44 C:13 17.89 -8.97 C:5 15.41 -14.71 C:10 15.41 -13.28 27 1 -1 28 2 -2 3 19 2 26 4 -2 26 5 -1 29 6 -1 7 18 2 8 20 2 21 9 -1 22 10 -1 24 11 -1 23 12 -2 13 18 1 13 27 1 14 22 1 25 14 -1 15 21 1 15 28 1 16 23 1 16 29 1 17 18 1 17 20 1 19 21 1 19 25 1 20 27 1 22 27 1 23 24 1 24 26 1 25 29 1 26 28 1 28 29 1', '29 31 H 16.98 -9.49 H 15.41 -15.68 C 19.15 -12.55 C 15.00 -16.60 C 13.30 -16.49 C 15.41 -11.84 O 19.43 -5.64 O 15.41 -8.56 O 19.11 -15.40 O 19.13 -11.12 O 11.70 -15.39 Cl 11.70 -12.59 C 19.07 -8.14 C 16.65 -11.12 C 16.65 -15.44 C 14.17 -12.55 N 17.18 -6.79 C 18.61 -6.79 C 17.89 -13.28 C 16.75 -8.14 C 17.89 -14.71 C 17.89 -10.41 C 12.92 -13.28 C 12.92 -14.71 C 16.65 -12.55 C 14.17 -15.44 C 17.89 -8.97 C 15.41 -14.71 C 15.41 -13.28 27 1 -1 28 2 -2 3 19 2 26 4 -2 26 5 -1 29 6 -1 7 18 2 8 20 2 21 9 -1 22 10 -1 24 11 -1 23 12 -2 13 18 1 13 27 1 14 22 1 25 14 -1 15 21 1 15 28 1 16 23 1 16 29 1 17 18 1 17 20 1 19 21 1 19 25 1 20 27 1 22 27 1 23 24 1 24 26 1 25 29 1 26 28 1 28 29 1', '29 31 H 16.98 -9.49 H 15.41 -15.68 C:105 19.15 -12.55 C:29 15.00 -16.60 C:16 13.30 -16.49 C:15 15.41 -11.84 O 19.43 -5.64 O 15.41 -8.56 O 19.11 -15.40 O 19.13 -11.12 O 11.70 -15.39 Cl 11.70 -12.59 C:30 19.07 -8.14 C:30 16.65 -11.12 C:33 16.65 -15.44 C:48 14.17 -12.55 N 17.18 -6.79 C:179 18.61 -6.79 C:150 17.89 -13.28 C:181 16.75 -8.14 C:73 17.89 -14.71 C:68 17.89 -10.41 C:63 12.92 -13.28 C:83 12.92 -14.71 C:51 16.65 -12.55 C:41 14.17 -15.44 C:47 17.89 -8.97 C:53 15.41 -14.71 C:41 15.41 -13.28 27 1 -1 28 2 -2 3 19 2 26 4 -2 26 5 -1 29 6 -1 7 18 2 8 20 2 21 9 -1 22 10 -1 24 11 -1 23 12 -2 13 18 1 13 27 1 14 22 1 25 14 -1 15 21 1 15 28 1 16 23 1 16 29 1 17 18 1 17 20 1 19 21 1 19 25 1 20 27 1 22 27 1 23 24 1 24 26 1 25 29 1 26 28 1 28 29 1', 'C20H30ClNO5', 399.686, 'M', 'np04_1415_8', 660, '', '', '1', 1, NULL, NULL),
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(6759, '', '14,15-Dinorlabd8(17)-en-13-on-19-oic acid', '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)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:56]12[CH2:26][CH2:39][C:148](=[CH2:107])[C@H:56]([CH2:18][CH2:43][C:210]([CH3:30])=O)[C@@:41]1([CH3:13])[CH2:39][CH2:20][CH2:38][C@:44]2([CH3:29])[C:184](=O)O', '22 23 H 15.50 -13.76 C:17 19.19 -10.67 C:16 16.75 -6.41 C:18 15.22 -14.57 C:20 15.50 -9.96 O 19.19 -6.40 O 13.73 -15.90 O 11.94 -14.26 C:2 13.03 -11.39 C:12 17.97 -8.53 C:7 17.97 -12.81 C:11 16.73 -9.24 C:6 16.73 -13.52 C:3 13.03 -12.81 C:1 14.26 -10.67 C:13 17.97 -7.11 C:8 17.97 -11.39 C:19 13.31 -14.56 C:9 16.73 -10.67 C:5 15.50 -12.81 C:4 14.26 -13.52 C:10 15.50 -11.39 20 1 -2 2 17 2 3 16 1 21 4 -2 22 5 -1 6 16 2 7 18 2 8 18 1 9 14 1 9 15 1 10 12 1 10 16 1 11 13 1 11 17 1 19 12 -1 13 20 1 14 21 1 15 22 1 17 19 1 21 18 -1 19 22 1 20 21 1 20 22 1', '22 23 H 15.50 -13.76 C 19.19 -10.67 C 16.75 -6.41 C 15.22 -14.57 C 15.50 -9.96 O 19.19 -6.40 O 13.73 -15.90 O 11.94 -14.26 C 13.03 -11.39 C 17.97 -8.53 C 17.97 -12.81 C 16.73 -9.24 C 16.73 -13.52 C 13.03 -12.81 C 14.26 -10.67 C 17.97 -7.11 C 17.97 -11.39 C 13.31 -14.56 C 16.73 -10.67 C 15.50 -12.81 C 14.26 -13.52 C 15.50 -11.39 20 1 -2 2 17 2 3 16 1 21 4 -2 22 5 -1 6 16 2 7 18 2 8 18 1 9 14 1 9 15 1 10 12 1 10 16 1 11 13 1 11 17 1 19 12 -1 13 20 1 14 21 1 15 22 1 17 19 1 21 18 -1 19 22 1 20 21 1 20 22 1', '22 23 H 15.50 -13.76 C:107 19.19 -10.67 C:30 16.75 -6.41 C:29 15.22 -14.57 C:13 15.50 -9.96 O 19.19 -6.40 O 13.73 -15.90 O 11.94 -14.26 C:20 13.03 -11.39 C:43 17.97 -8.53 C:39 17.97 -12.81 C:18 16.73 -9.24 C:26 16.73 -13.52 C:38 13.03 -12.81 C:39 14.26 -10.67 C:210 17.97 -7.11 C:148 17.97 -11.39 C:184 13.31 -14.56 C:56 16.73 -10.67 C:56 15.50 -12.81 C:44 14.26 -13.52 C:41 15.50 -11.39 20 1 -2 2 17 2 3 16 1 21 4 -2 22 5 -1 6 16 2 7 18 2 8 18 1 9 14 1 9 15 1 10 12 1 10 16 1 11 13 1 11 17 1 19 12 -1 13 20 1 14 21 1 15 22 1 17 19 1 21 18 -1 19 22 1 20 21 1 20 22 1', 'C18H28O3', 292.199, 'C', 'np98_922_2', 1319, '', '', '1', 1, NULL, NULL),
(6760, '7b-Hydroxyisocupressic acid', '', '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][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12C[C@H](O)C(=C)[C@H](CCC(C)=CCO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:55]12[CH2:37][C@H:75](O)[C:152](=[CH2:104])[C@H:55]([CH2:23][CH2:39][C:140]([CH3:16])=[CH:125][CH2:59]O)[C@@:41]1([CH3:13])[CH2:40][CH2:21][CH2:39][C@:45]2([CH3:30])[C:181](=O)O', '25 26 H 14.89 -14.77 C:17 18.58 -11.68 C:16 16.14 -7.42 C:18 14.61 -15.58 C:20 14.89 -10.97 O 13.12 -16.91 O 19.79 -5.32 O 11.33 -15.27 O 18.57 -14.52 C:14 18.58 -7.41 C:15 18.58 -6.02 C:2 12.42 -12.40 C:12 17.36 -9.54 C:11 16.12 -10.25 C:3 12.42 -13.82 C:1 13.65 -11.68 C:6 16.12 -14.53 C:13 17.36 -8.12 C:8 17.36 -12.40 C:19 12.70 -15.57 C:7 17.36 -13.82 C:9 16.12 -11.68 C:5 14.89 -13.82 C:4 13.65 -14.53 C:10 14.89 -12.40 23 1 -2 2 19 2 3 18 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -1 10 11 1 10 18 2 12 15 1 12 16 1 13 14 1 13 18 1 22 14 -1 15 24 1 16 25 1 17 21 1 17 23 1 19 21 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.89 -14.77 C 18.58 -11.68 C 16.14 -7.42 C 14.61 -15.58 C 14.89 -10.97 O 13.12 -16.91 O 19.79 -5.32 O 11.33 -15.27 O 18.57 -14.52 C 18.58 -7.41 C 18.58 -6.02 C 12.42 -12.40 C 17.36 -9.54 C 16.12 -10.25 C 12.42 -13.82 C 13.65 -11.68 C 16.12 -14.53 C 17.36 -8.12 C 17.36 -12.40 C 12.70 -15.57 C 17.36 -13.82 C 16.12 -11.68 C 14.89 -13.82 C 13.65 -14.53 C 14.89 -12.40 23 1 -2 2 19 2 3 18 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -1 10 11 1 10 18 2 12 15 1 12 16 1 13 14 1 13 18 1 22 14 -1 15 24 1 16 25 1 17 21 1 17 23 1 19 21 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.89 -14.77 C:104 18.58 -11.68 C:16 16.14 -7.42 C:30 14.61 -15.58 C:13 14.89 -10.97 O 13.12 -16.91 O 19.79 -5.32 O 11.33 -15.27 O 18.57 -14.52 C:125 18.58 -7.41 C:59 18.58 -6.02 C:21 12.42 -12.40 C:39 17.36 -9.54 C:23 16.12 -10.25 C:39 12.42 -13.82 C:40 13.65 -11.68 C:37 16.12 -14.53 C:140 17.36 -8.12 C:152 17.36 -12.40 C:181 12.70 -15.57 C:75 17.36 -13.82 C:55 16.12 -11.68 C:55 14.89 -13.82 C:45 13.65 -14.53 C:41 14.89 -12.40 23 1 -2 2 19 2 3 18 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -1 10 11 1 10 18 2 12 15 1 12 16 1 13 14 1 13 18 1 22 14 -1 15 24 1 16 25 1 17 21 1 17 23 1 19 21 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'M', 'np98_922_3', 1319, '', '', '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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(6762, '2a-Hydroxyisocupressic acid', '', '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])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](CCC(C)=CCO)[C@@]1(C)C[C@@H](O)C[C@]2(C)C(=O)O', '[H][C@@:57]12[CH2:27][CH2:40][C:149](=[CH2:108])[C@H:57]([CH2:23][CH2:40][C:140]([CH3:16])=[CH:125][CH2:59]O)[C@@:42]1([CH3:14])[CH2:49][C@@H:66](O)[CH2:48][C@:46]2([CH3:30])[C:181](=O)O', '25 26 H 14.95 -14.77 C:17 18.64 -11.68 C:16 16.20 -7.42 C:18 14.67 -15.58 C:20 14.95 -10.97 O 13.18 -16.92 O 19.85 -5.32 O 11.39 -15.27 O 11.27 -11.71 C:14 18.64 -7.41 C:15 18.64 -6.02 C:12 17.42 -9.54 C:7 17.42 -13.82 C:11 16.18 -10.25 C:6 16.18 -14.53 C:3 12.48 -13.82 C:1 13.71 -11.68 C:13 17.42 -8.12 C:8 17.42 -12.40 C:19 12.76 -15.57 C:2 12.48 -12.40 C:9 16.18 -11.68 C:5 14.95 -13.82 C:4 13.71 -14.53 C:10 14.95 -12.40 23 1 -2 2 19 2 3 18 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 18 2 12 14 1 12 18 1 13 15 1 13 19 1 22 14 -1 15 23 1 16 21 1 16 24 1 17 21 1 17 25 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.95 -14.77 C 18.64 -11.68 C 16.20 -7.42 C 14.67 -15.58 C 14.95 -10.97 O 13.18 -16.92 O 19.85 -5.32 O 11.39 -15.27 O 11.27 -11.71 C 18.64 -7.41 C 18.64 -6.02 C 17.42 -9.54 C 17.42 -13.82 C 16.18 -10.25 C 16.18 -14.53 C 12.48 -13.82 C 13.71 -11.68 C 17.42 -8.12 C 17.42 -12.40 C 12.76 -15.57 C 12.48 -12.40 C 16.18 -11.68 C 14.95 -13.82 C 13.71 -14.53 C 14.95 -12.40 23 1 -2 2 19 2 3 18 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 18 2 12 14 1 12 18 1 13 15 1 13 19 1 22 14 -1 15 23 1 16 21 1 16 24 1 17 21 1 17 25 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.95 -14.77 C:108 18.64 -11.68 C:16 16.20 -7.42 C:30 14.67 -15.58 C:14 14.95 -10.97 O 13.18 -16.92 O 19.85 -5.32 O 11.39 -15.27 O 11.27 -11.71 C:125 18.64 -7.41 C:59 18.64 -6.02 C:40 17.42 -9.54 C:40 17.42 -13.82 C:23 16.18 -10.25 C:27 16.18 -14.53 C:48 12.48 -13.82 C:49 13.71 -11.68 C:140 17.42 -8.12 C:149 17.42 -12.40 C:181 12.76 -15.57 C:66 12.48 -12.40 C:57 16.18 -11.68 C:57 14.95 -13.82 C:46 13.71 -14.53 C:42 14.95 -12.40 23 1 -2 2 19 2 3 18 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 18 2 12 14 1 12 18 1 13 15 1 13 19 1 22 14 -1 15 23 1 16 21 1 16 24 1 17 21 1 17 25 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'M', 'np98_922_5', 1319, '', '', '1', 1, NULL, NULL),
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(6778, 'Gelomulide N', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]45[CH2:11][C@@:9]2([H])[C@:10]1([CH3:20])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]([CH3:19])([CH3:18])[C@@:5]1([H])[CH2:6][CH2:7][C@:8]23O[C@@H:14]3[C:13]4=[C:15]([CH3:17])[C:16](=O)O5', '[H][C@@]45C[C@@]2([H])[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)(C)[C@@]1([H])CC[C@]23O[C@@H]3C4=C(C)C(=O)O5', '[H][C@@:75]45[CH2:27][C@@:49]2([H])[C@:43]1([CH3:14])[C@@H:76](O[C:170]([CH3:21])=O)[CH2:29][C@H:78](O[C:170]([CH3:21])=O)[C@:37]([CH3:22])([CH3:28])[C@@:49]1([H])[CH2:21][CH2:34][C@:61]23O[C@@H:56]3[C:157]4=[C:129]([CH3:9])[C:174](=O)O5', '34 38 H 18.08 -10.54 H 15.55 -14.74 H 16.82 -12.61 C:3002 9.38 -14.44 C:1002 13.10 -8.11 C:17 21.72 -9.43 C:19 13.25 -15.53 C:18 15.29 -15.63 C:20 15.55 -10.86 O 10.60 -12.36 O 11.88 -10.20 O 20.43 -6.67 C:6 16.82 -14.55 C:7 18.08 -13.80 C:2 13.04 -12.34 C:11 16.82 -10.13 O 11.80 -14.48 O 14.29 -10.20 O 18.36 -8.06 O 19.31 -13.01 C:3001 10.60 -13.76 C:1001 13.10 -9.50 C:15 20.35 -9.17 C:16 19.75 -7.89 C:13 19.32 -10.13 C:3 13.04 -13.80 C:1 14.29 -11.59 C:14 19.32 -11.59 C:12 18.08 -9.43 C:4 14.29 -14.55 C:5 15.55 -13.80 C:9 16.82 -11.59 C:10 15.55 -12.34 C:8 18.08 -12.34 29 1 -2 31 2 -1 32 3 -1 4 21 1 5 22 1 6 23 1 30 7 -2 30 8 -1 33 9 -2 10 21 2 11 22 2 12 24 2 13 14 1 13 31 1 14 34 1 15 26 1 15 27 1 16 29 1 16 32 1 17 21 1 26 17 -1 18 22 1 27 18 -2 19 24 1 19 29 1 28 20 -1 34 20 -1 23 24 1 23 25 2 25 28 1 25 29 1 26 30 1 27 33 1 28 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 18.08 -10.54 H 15.55 -14.74 H 16.82 -12.61 C 9.38 -14.44 C 13.10 -8.11 C 21.72 -9.43 C 13.25 -15.53 C 15.29 -15.63 C 15.55 -10.86 O 10.60 -12.36 O 11.88 -10.20 O 20.43 -6.67 C 16.82 -14.55 C 18.08 -13.80 C 13.04 -12.34 C 16.82 -10.13 O 11.80 -14.48 O 14.29 -10.20 O 18.36 -8.06 O 19.31 -13.01 C 10.60 -13.76 C 13.10 -9.50 C 20.35 -9.17 C 19.75 -7.89 C 19.32 -10.13 C 13.04 -13.80 C 14.29 -11.59 C 19.32 -11.59 C 18.08 -9.43 C 14.29 -14.55 C 15.55 -13.80 C 16.82 -11.59 C 15.55 -12.34 C 18.08 -12.34 29 1 -2 31 2 -1 32 3 -1 4 21 1 5 22 1 6 23 1 30 7 -2 30 8 -1 33 9 -2 10 21 2 11 22 2 12 24 2 13 14 1 13 31 1 14 34 1 15 26 1 15 27 1 16 29 1 16 32 1 17 21 1 26 17 -1 18 22 1 27 18 -2 19 24 1 19 29 1 28 20 -1 34 20 -1 23 24 1 23 25 2 25 28 1 25 29 1 26 30 1 27 33 1 28 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 18.08 -10.54 H 15.55 -14.74 H 16.82 -12.61 C:21 9.38 -14.44 C:21 13.10 -8.11 C:9 21.72 -9.43 C:22 13.25 -15.53 C:28 15.29 -15.63 C:14 15.55 -10.86 O 10.60 -12.36 O 11.88 -10.20 O 20.43 -6.67 C:21 16.82 -14.55 C:34 18.08 -13.80 C:29 13.04 -12.34 C:27 16.82 -10.13 O 11.80 -14.48 O 14.29 -10.20 O 18.36 -8.06 O 19.31 -13.01 C:170 10.60 -13.76 C:170 13.10 -9.50 C:129 20.35 -9.17 C:174 19.75 -7.89 C:157 19.32 -10.13 C:78 13.04 -13.80 C:76 14.29 -11.59 C:56 19.32 -11.59 C:75 18.08 -9.43 C:37 14.29 -14.55 C:49 15.55 -13.80 C:49 16.82 -11.59 C:43 15.55 -12.34 C:61 18.08 -12.34 29 1 -2 31 2 -1 32 3 -1 4 21 1 5 22 1 6 23 1 30 7 -2 30 8 -1 33 9 -2 10 21 2 11 22 2 12 24 2 13 14 1 13 31 1 14 34 1 15 26 1 15 27 1 16 29 1 16 32 1 17 21 1 26 17 -1 18 22 1 27 18 -2 19 24 1 19 29 1 28 20 -1 34 20 -1 23 24 1 23 25 2 25 28 1 25 29 1 26 30 1 27 33 1 28 34 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C24H32O7', 432.276, 'P', 'ph69_276_4', 1267, '', '', '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
(6779, 'Gelomulide O', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]45[CH2:11][C@@:9]2([H])[C@:10]1([CH3:20])[C@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]([CH3:18])([CH3:19])[C@@:5]1([H])[CH2:6][CH2:7][C@:8]23O[C@@H:14]3[C:13]4=[C:15]([CH3:17])[C:16](=O)O5', '[H][C@@]45C[C@@]2([H])[C@]1(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@](C)(C)[C@@]1([H])CC[C@]23O[C@@H]3C4=C(C)C(=O)O5', '[H][C@@:76]45[CH2:24][C@@:42]2([H])[C@:42]1([CH3:18])[C@H:74](O[C:170]([CH3:21])=O)[CH2:26][C@H:76](O[C:170]([CH3:21])=O)[C@@:37]([CH3:28])([CH3:23])[C@@:44]1([H])[CH2:21][CH2:34][C@:61]23O[C@@H:56]3[C:156]4=[C:128]([CH3:9])[C:174](=O)O5', '34 38 H 18.08 -10.54 H 15.55 -14.74 H 16.82 -12.61 C:3002 9.38 -14.44 C:1002 13.10 -8.11 C:17 21.72 -9.43 C:18 15.29 -15.63 C:19 13.25 -15.53 C:20 15.55 -10.86 O 10.60 -12.36 O 11.88 -10.20 O 20.43 -6.67 C:6 16.82 -14.55 C:7 18.08 -13.80 C:2 13.04 -12.34 C:11 16.82 -10.13 O 11.80 -14.48 O 14.29 -10.20 O 18.36 -8.06 O 19.31 -13.01 C:3001 10.60 -13.76 C:1001 13.10 -9.50 C:15 20.35 -9.17 C:16 19.75 -7.89 C:13 19.32 -10.13 C:3 13.04 -13.80 C:1 14.29 -11.59 C:14 19.32 -11.59 C:12 18.08 -9.43 C:4 14.29 -14.55 C:5 15.55 -13.80 C:9 16.82 -11.59 C:10 15.55 -12.34 C:8 18.08 -12.34 29 1 -2 31 2 -1 32 3 -1 4 21 1 5 22 1 6 23 1 30 7 -1 30 8 -2 33 9 -2 10 21 2 11 22 2 12 24 2 13 14 1 13 31 1 14 34 1 15 26 1 15 27 1 16 29 1 16 32 1 17 21 1 26 17 -1 18 22 1 27 18 -1 19 24 1 19 29 1 28 20 -1 34 20 -1 23 24 1 23 25 2 25 28 1 25 29 1 26 30 1 27 33 1 28 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 18.08 -10.54 H 15.55 -14.74 H 16.82 -12.61 C 9.38 -14.44 C 13.10 -8.11 C 21.72 -9.43 C 15.29 -15.63 C 13.25 -15.53 C 15.55 -10.86 O 10.60 -12.36 O 11.88 -10.20 O 20.43 -6.67 C 16.82 -14.55 C 18.08 -13.80 C 13.04 -12.34 C 16.82 -10.13 O 11.80 -14.48 O 14.29 -10.20 O 18.36 -8.06 O 19.31 -13.01 C 10.60 -13.76 C 13.10 -9.50 C 20.35 -9.17 C 19.75 -7.89 C 19.32 -10.13 C 13.04 -13.80 C 14.29 -11.59 C 19.32 -11.59 C 18.08 -9.43 C 14.29 -14.55 C 15.55 -13.80 C 16.82 -11.59 C 15.55 -12.34 C 18.08 -12.34 29 1 -2 31 2 -1 32 3 -1 4 21 1 5 22 1 6 23 1 30 7 -1 30 8 -2 33 9 -2 10 21 2 11 22 2 12 24 2 13 14 1 13 31 1 14 34 1 15 26 1 15 27 1 16 29 1 16 32 1 17 21 1 26 17 -1 18 22 1 27 18 -1 19 24 1 19 29 1 28 20 -1 34 20 -1 23 24 1 23 25 2 25 28 1 25 29 1 26 30 1 27 33 1 28 34 1 30 31 1 31 33 1 32 33 1 32 34 1', '34 38 H 18.08 -10.54 H 15.55 -14.74 H 16.82 -12.61 C:21 9.38 -14.44 C:21 13.10 -8.11 C:9 21.72 -9.43 C:28 15.29 -15.63 C:23 13.25 -15.53 C:18 15.55 -10.86 O 10.60 -12.36 O 11.88 -10.20 O 20.43 -6.67 C:21 16.82 -14.55 C:34 18.08 -13.80 C:26 13.04 -12.34 C:24 16.82 -10.13 O 11.80 -14.48 O 14.29 -10.20 O 18.36 -8.06 O 19.31 -13.01 C:170 10.60 -13.76 C:170 13.10 -9.50 C:128 20.35 -9.17 C:174 19.75 -7.89 C:156 19.32 -10.13 C:76 13.04 -13.80 C:74 14.29 -11.59 C:56 19.32 -11.59 C:76 18.08 -9.43 C:37 14.29 -14.55 C:44 15.55 -13.80 C:42 16.82 -11.59 C:42 15.55 -12.34 C:61 18.08 -12.34 29 1 -2 31 2 -1 32 3 -1 4 21 1 5 22 1 6 23 1 30 7 -1 30 8 -2 33 9 -2 10 21 2 11 22 2 12 24 2 13 14 1 13 31 1 14 34 1 15 26 1 15 27 1 16 29 1 16 32 1 17 21 1 26 17 -1 18 22 1 27 18 -1 19 24 1 19 29 1 28 20 -1 34 20 -1 23 24 1 23 25 2 25 28 1 25 29 1 26 30 1 27 33 1 28 34 1 30 31 1 31 33 1 32 33 1 32 34 1', 'C24H32O7', 432.276, 'P', 'ph69_276_5', 1267, '', '', '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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(6795, '16-Oxolyclanitin-29-yl E-40-hydroxyl-30-methoxycinnamate', '', 'Terpenoids', 'Triterpenoids', 'Serratanes', '[H][C@:13]35[CH2:12][CH2:11][C@@:9]1([H])[C@@:8]([CH3:26])([CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:23])([CH2:24]O)[C@H:3](O)[CH2:2][CH2:1][C@:10]12[CH3:25])[CH2:27][C:14]3=[CH:15][C:16](=O)[C@@:17]6([H])[C@@:22]([CH3:30])([CH2:29]O[C:29001](=O)[CH:29002]=[CH:29003][c:29004]4[cH:29009][cH:29008][c:29007](O)[c:29006](O[CH3:29601])[cH:29005]4)[C@H:21](O)[C@H:20](O)[CH2:19][C@:18]56[CH3:28]', '[H][C@]35CC[C@@]1([H])[C@@](C)(CC[C@@]2([H])[C@@](C)(CO)[C@H](O)CC[C@]12C)CC3=CC(=O)[C@@]6([H])[C@@](C)(COC(=O)C=Cc4ccc(O)c(OC)c4)[C@H](O)[C@H](O)C[C@]56C', 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(6807, '', '15-Hydroxy-12-oxolabda-8(17),13E-dien-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][C:12](=O)[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])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](CC(=O)C(C)=CCO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:58]12[CH2:28][CH2:40][C:151](=[CH2:107])[C@H:53]([CH2:35][C:204](=O)[C:138]([CH3:12])=[CH:143][CH2:61]O)[C@@:41]1([CH3:14])[CH2:41][CH2:22][CH2:40][C@:46]2([CH3:30])[C:182](=O)O', '25 26 H 14.37 -15.48 C:17 18.06 -12.39 C:16 15.60 -8.13 C:18 14.09 -16.29 C:20 14.37 -11.68 O 10.82 -15.98 O 18.05 -10.96 O 19.28 -6.03 O 12.61 -17.61 C:14 18.06 -8.13 C:15 18.06 -6.73 C:2 11.91 -13.11 C:7 16.84 -14.53 C:11 15.60 -10.96 C:3 11.91 -14.53 C:6 15.60 -15.24 C:1 13.14 -12.39 C:8 16.84 -13.11 C:13 16.84 -8.84 C:19 12.19 -16.28 C:12 16.84 -10.26 C:9 15.60 -12.39 C:5 14.37 -14.53 C:4 13.14 -15.24 C:10 14.37 -13.11 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 21 2 8 11 1 9 20 1 10 11 1 10 19 2 12 15 1 12 17 1 13 16 1 13 18 1 14 21 1 22 14 -1 15 24 1 16 23 1 17 25 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.37 -15.48 C 18.06 -12.39 C 15.60 -8.13 C 14.09 -16.29 C 14.37 -11.68 O 10.82 -15.98 O 18.05 -10.96 O 19.28 -6.03 O 12.61 -17.61 C 18.06 -8.13 C 18.06 -6.73 C 11.91 -13.11 C 16.84 -14.53 C 15.60 -10.96 C 11.91 -14.53 C 15.60 -15.24 C 13.14 -12.39 C 16.84 -13.11 C 16.84 -8.84 C 12.19 -16.28 C 16.84 -10.26 C 15.60 -12.39 C 14.37 -14.53 C 13.14 -15.24 C 14.37 -13.11 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 21 2 8 11 1 9 20 1 10 11 1 10 19 2 12 15 1 12 17 1 13 16 1 13 18 1 14 21 1 22 14 -1 15 24 1 16 23 1 17 25 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 14.37 -15.48 C:107 18.06 -12.39 C:12 15.60 -8.13 C:30 14.09 -16.29 C:14 14.37 -11.68 O 10.82 -15.98 O 18.05 -10.96 O 19.28 -6.03 O 12.61 -17.61 C:143 18.06 -8.13 C:61 18.06 -6.73 C:22 11.91 -13.11 C:40 16.84 -14.53 C:35 15.60 -10.96 C:40 11.91 -14.53 C:28 15.60 -15.24 C:41 13.14 -12.39 C:151 16.84 -13.11 C:138 16.84 -8.84 C:182 12.19 -16.28 C:204 16.84 -10.26 C:53 15.60 -12.39 C:58 14.37 -14.53 C:46 13.14 -15.24 C:41 14.37 -13.11 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 21 2 8 11 1 9 20 1 10 11 1 10 19 2 12 15 1 12 17 1 13 16 1 13 18 1 14 21 1 22 14 -1 15 24 1 16 23 1 17 25 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H30O4', 334.22, 'C', 'ph69_518_5', 2420, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(6822, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:15][C:16](=O)[C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@@]14CC(=O)[C@@](C)(CC[C@@]1([H])[C@]2(C)[C@@H](O)CC[C@@]3(C)C(=O)O)C4', '[H][C@:56]23[CH2:22][CH2:42][C@@:40]14[CH2:49][C:221](=O)[C@@:49]([CH3:20])([CH2:38][CH2:24][C@@:56]1([H])[C@:45]2([CH3:10])[C@@H:81](O)[CH2:31][CH2:37][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:54]4', '26 29 H 14.28 -13.10 H 15.50 -10.98 C:17 17.95 -7.17 C:18 14.00 -13.86 C:20 14.26 -9.29 O 12.36 -15.13 O 20.46 -9.27 O 10.69 -13.36 O 13.03 -8.59 C:2 11.83 -10.70 C:3 11.83 -12.09 C:12 16.73 -7.86 C:11 15.50 -8.57 C:6 15.50 -12.82 C:7 16.73 -12.09 C:15 18.30 -11.00 C:14 17.95 -9.99 C:19 12.02 -13.77 C:16 19.10 -9.57 C:1 13.03 -9.99 C:13 17.95 -8.57 C:5 14.26 -12.09 C:9 15.50 -9.99 C:4 13.03 -12.82 C:10 14.26 -10.70 C:8 16.73 -10.70 22 1 -1 23 2 -1 21 3 -1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 10 11 1 10 20 1 11 24 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 26 1 16 19 1 26 16 -2 17 21 1 17 26 1 24 18 -2 21 19 -2 20 25 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.28 -13.10 H 15.50 -10.98 C 17.95 -7.17 C 14.00 -13.86 C 14.26 -9.29 O 12.36 -15.13 O 20.46 -9.27 O 10.69 -13.36 O 13.03 -8.59 C 11.83 -10.70 C 11.83 -12.09 C 16.73 -7.86 C 15.50 -8.57 C 15.50 -12.82 C 16.73 -12.09 C 18.30 -11.00 C 17.95 -9.99 C 12.02 -13.77 C 19.10 -9.57 C 13.03 -9.99 C 17.95 -8.57 C 14.26 -12.09 C 15.50 -9.99 C 13.03 -12.82 C 14.26 -10.70 C 16.73 -10.70 22 1 -1 23 2 -1 21 3 -1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 10 11 1 10 20 1 11 24 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 26 1 16 19 1 26 16 -2 17 21 1 17 26 1 24 18 -2 21 19 -2 20 25 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.28 -13.10 H 15.50 -10.98 C:20 17.95 -7.17 C:29 14.00 -13.86 C:10 14.26 -9.29 O 12.36 -15.13 O 20.46 -9.27 O 10.69 -13.36 O 13.03 -8.59 C:31 11.83 -10.70 C:37 11.83 -12.09 C:38 16.73 -7.86 C:24 15.50 -8.57 C:22 15.50 -12.82 C:42 16.73 -12.09 C:49 18.30 -11.00 C:54 17.95 -9.99 C:180 12.02 -13.77 C:221 19.10 -9.57 C:81 13.03 -9.99 C:49 17.95 -8.57 C:56 14.26 -12.09 C:56 15.50 -9.99 C:44 13.03 -12.82 C:45 14.26 -10.70 C:40 16.73 -10.70 22 1 -1 23 2 -1 21 3 -1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 18 1 20 9 -2 10 11 1 10 20 1 11 24 1 12 13 1 12 21 1 13 23 1 14 15 1 14 22 1 15 26 1 16 19 1 26 16 -2 17 21 1 17 26 1 24 18 -2 21 19 -2 20 25 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C20H30O4', 334.227, 'P', 'np08_87_13', 337, '', '', '1', 1, NULL, NULL),
(6823, '', '', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][C:7](=O)[C@@:8]14[CH2:15][C:16](=O)[C@@:13]([CH3:17])([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC(=O)[C@@]14CC(=O)[C@@](C)(C[C@H](O)[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:55]23[CH2:40][C:212](=O)[C@@:53]14[CH2:46][C:216](=O)[C@@:49]([CH3:20])([CH2:49][C@H:67](O)[C@@:61]1([H])[C@:40]2([CH3:14])[CH2:42][CH2:20][CH2:38][C@@:44]3([CH3:29])[C:180](=O)O)[CH2:46]4', '27 30 H 14.41 -13.73 H 15.63 -11.60 C:17 18.07 -7.78 C:18 14.13 -14.49 C:20 14.39 -9.91 O 12.48 -15.76 O 20.59 -9.89 O 18.09 -13.36 O 10.80 -13.99 O 14.42 -8.49 C:2 11.95 -11.32 C:3 11.95 -12.71 C:1 13.16 -10.61 C:6 15.63 -13.45 C:15 18.42 -11.62 C:12 16.85 -8.48 C:14 18.07 -10.61 C:19 12.14 -14.40 C:16 19.22 -10.19 C:7 16.85 -12.71 C:11 15.63 -9.19 C:13 18.07 -9.19 C:5 14.39 -12.71 C:4 13.16 -13.45 C:10 14.39 -11.32 C:9 15.63 -10.61 C:8 16.85 -11.32 23 1 -1 26 2 -1 22 3 -1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 20 2 9 18 1 21 10 -1 11 12 1 11 13 1 12 24 1 13 25 1 14 20 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 22 1 17 22 1 17 27 1 24 18 -2 22 19 -2 20 27 1 21 26 1 23 24 1 23 25 1 25 26 1 26 27 1', '27 30 H 14.41 -13.73 H 15.63 -11.60 C 18.07 -7.78 C 14.13 -14.49 C 14.39 -9.91 O 12.48 -15.76 O 20.59 -9.89 O 18.09 -13.36 O 10.80 -13.99 O 14.42 -8.49 C 11.95 -11.32 C 11.95 -12.71 C 13.16 -10.61 C 15.63 -13.45 C 18.42 -11.62 C 16.85 -8.48 C 18.07 -10.61 C 12.14 -14.40 C 19.22 -10.19 C 16.85 -12.71 C 15.63 -9.19 C 18.07 -9.19 C 14.39 -12.71 C 13.16 -13.45 C 14.39 -11.32 C 15.63 -10.61 C 16.85 -11.32 23 1 -1 26 2 -1 22 3 -1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 20 2 9 18 1 21 10 -1 11 12 1 11 13 1 12 24 1 13 25 1 14 20 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 22 1 17 22 1 17 27 1 24 18 -2 22 19 -2 20 27 1 21 26 1 23 24 1 23 25 1 25 26 1 26 27 1', '27 30 H 14.41 -13.73 H 15.63 -11.60 C:20 18.07 -7.78 C:29 14.13 -14.49 C:14 14.39 -9.91 O 12.48 -15.76 O 20.59 -9.89 O 18.09 -13.36 O 10.80 -13.99 O 14.42 -8.49 C:20 11.95 -11.32 C:38 11.95 -12.71 C:42 13.16 -10.61 C:40 15.63 -13.45 C:46 18.42 -11.62 C:49 16.85 -8.48 C:46 18.07 -10.61 C:180 12.14 -14.40 C:216 19.22 -10.19 C:212 16.85 -12.71 C:67 15.63 -9.19 C:49 18.07 -9.19 C:55 14.39 -12.71 C:44 13.16 -13.45 C:40 14.39 -11.32 C:61 15.63 -10.61 C:53 16.85 -11.32 23 1 -1 26 2 -1 22 3 -1 24 4 -1 25 5 -2 6 18 2 7 19 2 8 20 2 9 18 1 21 10 -1 11 12 1 11 13 1 12 24 1 13 25 1 14 20 1 14 23 1 15 19 1 27 15 -2 16 21 1 16 22 1 17 22 1 17 27 1 24 18 -2 22 19 -2 20 27 1 21 26 1 23 24 1 23 25 1 25 26 1 26 27 1', 'C20H28O5', 348.227, 'P', 'np08_87_15', 337, '', '', '1', 1, NULL, NULL),
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(6839, 'Ganoderiol A triacetate', '3?,24,26-triacetoxy-5?-lanosta-7,9(11)-dien-25-ol', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]3([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24](O[C:24001]([CH3:24002])=O)[C:25]([CH3:27])(O)[CH2:26]O[C:26001]([CH3:26002])=O)[CH2:16][CH2:15][C@@:14]4([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH3:28])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)CC[C@@H](OC(C)=O)C(C)(O)COC(C)=O)CC[C@@]4(C)C2=CC[C@@]1([H])[C@](C)(C)[C@@H](OC(C)=O)CC[C@]1(C)C2=CC[C@]34C', '[H][C@:51]3([C@H:36]([CH3:19])[CH2:33][CH2:28][C@@H:77](O[C:171]([CH3:21])=O)[C:73]([CH3:20])(O)[CH2:68]O[C:171]([CH3:21])=O)[CH2:31][CH2:26][C@@:50]4([CH3:26])[C:143]2=[CH:120][CH2:24][C@@:49]1([H])[C@:38]([CH3:16])([CH3:28])[C@@H:81](O[C:171]([CH3:21])=O)[CH2:23][CH2:35][C@:38]1([CH3:23])[C:147]2=[CH:117][CH2:37][C@:44]34[CH3:17]', '45 48 H 16.05 -11.44 H 11.19 -15.55 C:26002 26.01 -12.09 C:3002 5.16 -15.26 C:24002 20.38 -5.87 C:21 15.76 -8.05 C:29 9.17 -16.38 C:28 10.69 -16.43 C:27 20.91 -11.95 C:19 11.19 -11.59 C:30 14.95 -13.76 C:18 14.94 -9.48 O 25.48 -9.72 O 6.34 -13.14 O 18.57 -7.46 O 22.28 -11.69 C:7 13.69 -14.48 C:11 12.47 -10.88 C:22 18.09 -8.82 C:23 19.02 -9.86 C:2 8.74 -13.03 C:6 12.47 -15.17 C:12 13.69 -10.17 C:1 9.97 -12.29 C:16 17.08 -11.59 C:15 16.25 -12.71 C:26 22.75 -10.33 O 23.70 -11.36 O 7.55 -15.20 O 20.86 -8.24 C:26001 25.06 -11.06 C:3001 6.34 -14.54 C:24001 19.94 -7.19 C:9 12.47 -12.29 C:8 13.69 -13.03 C:20 16.69 -9.11 C:3 8.74 -14.48 C:24 20.41 -9.57 C:4 9.97 -15.17 C:25 21.35 -10.64 C:17 16.25 -10.46 C:10 11.19 -13.03 C:14 14.93 -12.29 C:5 11.19 -14.48 C:13 14.93 -10.88 41 1 -2 44 2 -2 3 31 1 4 32 1 5 33 1 36 6 -2 39 7 -1 39 8 -2 9 40 1 42 10 -1 43 11 -2 45 12 -1 13 31 2 14 32 2 15 33 2 16 40 1 17 22 1 17 35 2 18 23 1 18 34 2 19 20 1 19 36 1 20 38 1 21 24 1 21 37 1 22 44 1 23 45 1 24 42 1 25 26 1 25 41 1 26 43 1 27 28 1 27 40 1 28 31 1 29 32 1 37 29 -1 30 33 1 38 30 -1 34 35 1 34 42 1 35 43 1 36 41 1 37 39 1 38 40 1 39 44 1 41 45 1 42 44 1 43 45 1', '45 48 H 16.05 -11.44 H 11.19 -15.55 C 26.01 -12.09 C 5.16 -15.26 C 20.38 -5.87 C 15.76 -8.05 C 9.17 -16.38 C 10.69 -16.43 C 20.91 -11.95 C 11.19 -11.59 C 14.95 -13.76 C 14.94 -9.48 O 25.48 -9.72 O 6.34 -13.14 O 18.57 -7.46 O 22.28 -11.69 C 13.69 -14.48 C 12.47 -10.88 C 18.09 -8.82 C 19.02 -9.86 C 8.74 -13.03 C 12.47 -15.17 C 13.69 -10.17 C 9.97 -12.29 C 17.08 -11.59 C 16.25 -12.71 C 22.75 -10.33 O 23.70 -11.36 O 7.55 -15.20 O 20.86 -8.24 C 25.06 -11.06 C 6.34 -14.54 C 19.94 -7.19 C 12.47 -12.29 C 13.69 -13.03 C 16.69 -9.11 C 8.74 -14.48 C 20.41 -9.57 C 9.97 -15.17 C 21.35 -10.64 C 16.25 -10.46 C 11.19 -13.03 C 14.93 -12.29 C 11.19 -14.48 C 14.93 -10.88 41 1 -2 44 2 -2 3 31 1 4 32 1 5 33 1 36 6 -2 39 7 -1 39 8 -2 9 40 1 42 10 -1 43 11 -2 45 12 -1 13 31 2 14 32 2 15 33 2 16 40 1 17 22 1 17 35 2 18 23 1 18 34 2 19 20 1 19 36 1 20 38 1 21 24 1 21 37 1 22 44 1 23 45 1 24 42 1 25 26 1 25 41 1 26 43 1 27 28 1 27 40 1 28 31 1 29 32 1 37 29 -1 30 33 1 38 30 -1 34 35 1 34 42 1 35 43 1 36 41 1 37 39 1 38 40 1 39 44 1 41 45 1 42 44 1 43 45 1', '45 48 H 16.05 -11.44 H 11.19 -15.55 C:21 26.01 -12.09 C:21 5.16 -15.26 C:21 20.38 -5.87 C:19 15.76 -8.05 C:16 9.17 -16.38 C:28 10.69 -16.43 C:20 20.91 -11.95 C:23 11.19 -11.59 C:26 14.95 -13.76 C:17 14.94 -9.48 O 25.48 -9.72 O 6.34 -13.14 O 18.57 -7.46 O 22.28 -11.69 C:120 13.69 -14.48 C:117 12.47 -10.88 C:33 18.09 -8.82 C:28 19.02 -9.86 C:23 8.74 -13.03 C:24 12.47 -15.17 C:37 13.69 -10.17 C:35 9.97 -12.29 C:31 17.08 -11.59 C:26 16.25 -12.71 C:68 22.75 -10.33 O 23.70 -11.36 O 7.55 -15.20 O 20.86 -8.24 C:171 25.06 -11.06 C:171 6.34 -14.54 C:171 19.94 -7.19 C:147 12.47 -12.29 C:143 13.69 -13.03 C:36 16.69 -9.11 C:81 8.74 -14.48 C:77 20.41 -9.57 C:38 9.97 -15.17 C:73 21.35 -10.64 C:51 16.25 -10.46 C:38 11.19 -13.03 C:50 14.93 -12.29 C:49 11.19 -14.48 C:44 14.93 -10.88 41 1 -2 44 2 -2 3 31 1 4 32 1 5 33 1 36 6 -2 39 7 -1 39 8 -2 9 40 1 42 10 -1 43 11 -2 45 12 -1 13 31 2 14 32 2 15 33 2 16 40 1 17 22 1 17 35 2 18 23 1 18 34 2 19 20 1 19 36 1 20 38 1 21 24 1 21 37 1 22 44 1 23 45 1 24 42 1 25 26 1 25 41 1 26 43 1 27 28 1 27 40 1 28 31 1 29 32 1 37 29 -1 30 33 1 38 30 -1 34 35 1 34 42 1 35 43 1 36 41 1 37 39 1 38 40 1 39 44 1 41 45 1 42 44 1 43 45 1', 'C36H56O7', 600.397, 'C', 'mo07_2038_2', 1830, '', '', '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
(6840, 'Ganoderiol A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]3([C@H:20]([CH3:21])[CH2:22][CH2:23][C@@H:24](O)[C:25]([CH3:27])(O)[CH2:26]O)[CH2:16][CH2:15][C@@:14]4([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)CC[C@@H](O)C(C)(O)CO)CC[C@@]4(C)C2=CC[C@@]1([H])[C@@](C)(C)[C@@H](O)CC[C@]1(C)C2=CC[C@]34C', '[H][C@:52]3([C@H:37]([CH3:19])[CH2:34][CH2:29][C@@H:77](O)[C:75]([CH3:20])(O)[CH2:69]O)[CH2:32][CH2:28][C@@:51]4([CH3:26])[C:143]2=[CH:121][CH2:24][C@@:50]1([H])[C@@:39]([CH3:29])([CH3:16])[C@@H:78](O)[CH2:29][CH2:36][C@:38]1([CH3:23])[C:147]2=[CH:117][CH2:38][C@:44]34[CH3:17]', '36 39 H 16.05 -11.44 H 11.19 -15.55 C:21 15.76 -8.05 C:27 20.91 -11.95 C:28 10.69 -16.43 C:29 9.17 -16.38 C:19 11.19 -11.59 C:30 14.95 -13.76 C:18 14.94 -9.48 O 23.70 -11.36 O 20.86 -8.24 O 7.55 -15.20 O 22.28 -11.69 C:7 13.69 -14.48 C:11 12.47 -10.88 C:26 22.75 -10.33 C:6 12.47 -15.17 C:12 13.69 -10.17 C:22 18.09 -8.82 C:23 19.02 -9.86 C:2 8.74 -13.03 C:16 17.08 -11.59 C:1 9.97 -12.29 C:15 16.25 -12.71 C:9 12.47 -12.29 C:8 13.69 -13.03 C:20 16.69 -9.11 C:24 20.41 -9.57 C:3 8.74 -14.48 C:25 21.35 -10.64 C:4 9.97 -15.17 C:17 16.25 -10.46 C:5 11.19 -14.48 C:10 11.19 -13.03 C:14 14.93 -12.29 C:13 14.93 -10.88 32 1 -2 33 2 -2 27 3 -2 4 30 1 31 5 -2 31 6 -1 34 7 -1 35 8 -2 36 9 -1 10 16 1 28 11 -1 29 12 -1 13 30 1 14 17 1 14 26 2 15 18 1 15 25 2 16 30 1 17 33 1 18 36 1 19 20 1 19 27 1 20 28 1 21 23 1 21 29 1 22 24 1 22 32 1 23 34 1 24 35 1 25 26 1 25 34 1 26 35 1 27 32 1 28 30 1 29 31 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 16.05 -11.44 H 11.19 -15.55 C 15.76 -8.05 C 20.91 -11.95 C 10.69 -16.43 C 9.17 -16.38 C 11.19 -11.59 C 14.95 -13.76 C 14.94 -9.48 O 23.70 -11.36 O 20.86 -8.24 O 7.55 -15.20 O 22.28 -11.69 C 13.69 -14.48 C 12.47 -10.88 C 22.75 -10.33 C 12.47 -15.17 C 13.69 -10.17 C 18.09 -8.82 C 19.02 -9.86 C 8.74 -13.03 C 17.08 -11.59 C 9.97 -12.29 C 16.25 -12.71 C 12.47 -12.29 C 13.69 -13.03 C 16.69 -9.11 C 20.41 -9.57 C 8.74 -14.48 C 21.35 -10.64 C 9.97 -15.17 C 16.25 -10.46 C 11.19 -14.48 C 11.19 -13.03 C 14.93 -12.29 C 14.93 -10.88 32 1 -2 33 2 -2 27 3 -2 4 30 1 31 5 -2 31 6 -1 34 7 -1 35 8 -2 36 9 -1 10 16 1 28 11 -1 29 12 -1 13 30 1 14 17 1 14 26 2 15 18 1 15 25 2 16 30 1 17 33 1 18 36 1 19 20 1 19 27 1 20 28 1 21 23 1 21 29 1 22 24 1 22 32 1 23 34 1 24 35 1 25 26 1 25 34 1 26 35 1 27 32 1 28 30 1 29 31 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 16.05 -11.44 H 11.19 -15.55 C:19 15.76 -8.05 C:20 20.91 -11.95 C:29 10.69 -16.43 C:16 9.17 -16.38 C:23 11.19 -11.59 C:26 14.95 -13.76 C:17 14.94 -9.48 O 23.70 -11.36 O 20.86 -8.24 O 7.55 -15.20 O 22.28 -11.69 C:121 13.69 -14.48 C:117 12.47 -10.88 C:69 22.75 -10.33 C:24 12.47 -15.17 C:38 13.69 -10.17 C:34 18.09 -8.82 C:29 19.02 -9.86 C:29 8.74 -13.03 C:32 17.08 -11.59 C:36 9.97 -12.29 C:28 16.25 -12.71 C:147 12.47 -12.29 C:143 13.69 -13.03 C:37 16.69 -9.11 C:77 20.41 -9.57 C:78 8.74 -14.48 C:75 21.35 -10.64 C:39 9.97 -15.17 C:52 16.25 -10.46 C:50 11.19 -14.48 C:38 11.19 -13.03 C:51 14.93 -12.29 C:44 14.93 -10.88 32 1 -2 33 2 -2 27 3 -2 4 30 1 31 5 -2 31 6 -1 34 7 -1 35 8 -2 36 9 -1 10 16 1 28 11 -1 29 12 -1 13 30 1 14 17 1 14 26 2 15 18 1 15 25 2 16 30 1 17 33 1 18 36 1 19 20 1 19 27 1 20 28 1 21 23 1 21 29 1 22 24 1 22 32 1 23 34 1 24 35 1 25 26 1 25 34 1 26 35 1 27 32 1 28 30 1 29 31 1 31 33 1 32 36 1 33 34 1 35 36 1', 'C30H50O4', 474.334, 'P', 'mo07_2038_3', 1830, '', '', '1', 1, NULL, NULL),
(6841, 'Ganodermatriol', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]3([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH2:26]O)[CH2:27]O)[CH2:16][CH2:15][C@@:14]4([CH3:30])[C:8]2=[CH:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:28])([CH3:29])[C@@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=[CH:11][CH2:12][C@:13]34[CH3:18]', '[H][C@]3([C@H](C)CCC=C(CO)CO)CC[C@@]4(C)C2=CC[C@@]1([H])[C@@](C)(C)[C@@H](O)CC[C@]1(C)C2=CC[C@]34C', '[H][C@:51]3([C@H:36]([CH3:19])[CH2:37][CH2:25][CH:128]=[C:141]([CH2:66]O)[CH2:59]O)[CH2:32][CH2:28][C@@:51]4([CH3:26])[C:143]2=[CH:121][CH2:24][C@@:50]1([H])[C@@:39]([CH3:29])([CH3:16])[C@@H:78](O)[CH2:29][CH2:36][C@:38]1([CH3:23])[C:147]2=[CH:117][CH2:38][C@:44]34[CH3:17]', '35 38 H 15.99 -10.37 H 11.12 -14.48 C:21 15.70 -6.98 C:28 10.62 -15.36 C:29 9.11 -15.31 C:19 11.12 -10.51 C:30 14.89 -12.69 C:18 14.88 -8.41 O 23.63 -10.29 O 21.78 -11.92 O 7.49 -14.13 C:24 20.34 -8.50 C:7 13.63 -13.41 C:11 12.41 -9.81 C:26 22.68 -9.26 C:27 20.84 -10.87 C:23 18.96 -8.79 C:6 12.41 -14.10 C:12 13.63 -9.10 C:22 18.03 -7.75 C:2 8.68 -11.96 C:16 17.02 -10.51 C:1 9.90 -11.21 C:15 16.19 -11.63 C:25 21.28 -9.57 C:9 12.41 -11.21 C:8 13.63 -11.96 C:20 16.63 -8.04 C:3 8.68 -13.41 C:4 9.90 -14.10 C:17 16.19 -9.39 C:5 11.12 -13.41 C:10 11.12 -11.96 C:14 14.87 -11.21 C:13 14.87 -9.81 31 1 -2 32 2 -2 28 3 -2 30 4 -2 30 5 -1 33 6 -1 34 7 -2 35 8 -1 9 15 1 10 16 1 29 11 -1 12 17 1 12 25 2 13 18 1 13 27 2 14 19 1 14 26 2 15 25 1 16 25 1 17 20 1 18 32 1 19 35 1 20 28 1 21 23 1 21 29 1 22 24 1 22 31 1 23 33 1 24 34 1 26 27 1 26 33 1 27 34 1 28 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 15.99 -10.37 H 11.12 -14.48 C 15.70 -6.98 C 10.62 -15.36 C 9.11 -15.31 C 11.12 -10.51 C 14.89 -12.69 C 14.88 -8.41 O 23.63 -10.29 O 21.78 -11.92 O 7.49 -14.13 C 20.34 -8.50 C 13.63 -13.41 C 12.41 -9.81 C 22.68 -9.26 C 20.84 -10.87 C 18.96 -8.79 C 12.41 -14.10 C 13.63 -9.10 C 18.03 -7.75 C 8.68 -11.96 C 17.02 -10.51 C 9.90 -11.21 C 16.19 -11.63 C 21.28 -9.57 C 12.41 -11.21 C 13.63 -11.96 C 16.63 -8.04 C 8.68 -13.41 C 9.90 -14.10 C 16.19 -9.39 C 11.12 -13.41 C 11.12 -11.96 C 14.87 -11.21 C 14.87 -9.81 31 1 -2 32 2 -2 28 3 -2 30 4 -2 30 5 -1 33 6 -1 34 7 -2 35 8 -1 9 15 1 10 16 1 29 11 -1 12 17 1 12 25 2 13 18 1 13 27 2 14 19 1 14 26 2 15 25 1 16 25 1 17 20 1 18 32 1 19 35 1 20 28 1 21 23 1 21 29 1 22 24 1 22 31 1 23 33 1 24 34 1 26 27 1 26 33 1 27 34 1 28 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 15.99 -10.37 H 11.12 -14.48 C:19 15.70 -6.98 C:29 10.62 -15.36 C:16 9.11 -15.31 C:23 11.12 -10.51 C:26 14.89 -12.69 C:17 14.88 -8.41 O 23.63 -10.29 O 21.78 -11.92 O 7.49 -14.13 C:128 20.34 -8.50 C:121 13.63 -13.41 C:117 12.41 -9.81 C:66 22.68 -9.26 C:59 20.84 -10.87 C:25 18.96 -8.79 C:24 12.41 -14.10 C:38 13.63 -9.10 C:37 18.03 -7.75 C:29 8.68 -11.96 C:32 17.02 -10.51 C:36 9.90 -11.21 C:28 16.19 -11.63 C:141 21.28 -9.57 C:147 12.41 -11.21 C:143 13.63 -11.96 C:36 16.63 -8.04 C:78 8.68 -13.41 C:39 9.90 -14.10 C:51 16.19 -9.39 C:50 11.12 -13.41 C:38 11.12 -11.96 C:51 14.87 -11.21 C:44 14.87 -9.81 31 1 -2 32 2 -2 28 3 -2 30 4 -2 30 5 -1 33 6 -1 34 7 -2 35 8 -1 9 15 1 10 16 1 29 11 -1 12 17 1 12 25 2 13 18 1 13 27 2 14 19 1 14 26 2 15 25 1 16 25 1 17 20 1 18 32 1 19 35 1 20 28 1 21 23 1 21 29 1 22 24 1 22 31 1 23 33 1 24 34 1 26 27 1 26 33 1 27 34 1 28 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', 'C30H48O3', 456.335, 'P', 'mo07_2038_4', 1830, 'Mal en la publi', '', '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
(6852, 'Amotsangins G', '', 'Terpenoids', 'Triterpenoids', 'Limonoids', '[H][C@@:5]56[CH2:6][C:7](=O)[C@:8]3([CH3:30])[C@:9]([H])([C@H:11](O[C:11001]([CH3:11002])=O)[C@H:12](O[C:12001](=O)[CH:12002]([CH3:12201])[CH2:12003][CH3:12004])[C@@:13]4([CH3:18])[C@H:17]([c:20]1[cH:22][cH:23]o[cH:21]1)[CH2:16][C@H:15]2O[C@@:14]234)[C@@:10]5([CH3:19])[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][C:3](=O)O[C@:4]6([CH3:28])[CH3:29]', '[H][C@@]56CC(=O)[C@]3(C)[C@]([H])([C@H](OC(C)=O)[C@H](OC(=O)C(C)CC)[C@@]4(C)[C@H](c1ccoc1)C[C@H]2O[C@@]234)[C@@]5(C)[C@@H](OC(C)=O)CC(=O)O[C@]6(C)C', '[H][C@@:51]56[CH2:39][C:207](=O)[C@:45]3([CH3:21])[C@:44]([H])([C@H:76](O[C:169]([CH3:21])=O)[C@H:81](O[C:175](=O)[CH:41]([CH3:16])[CH2:26][CH3:11])[C@@:45]4([CH3:15])[C@H:42]([c:122]1[cH:112][cH:142]o[cH:141]1)[CH2:34][C@H:56]2O[C@@:68]234)[C@@:44]5([CH3:17])[C@@H:71](O[C:169]([CH3:21])=O)[CH2:35][C:169](=O)O[C@:84]6([CH3:23])[CH3:34]', '48 53 H 13.65 -16.15 H 14.88 -14.01 C:12004 18.40 -5.15 C:1002 11.23 -9.34 C:11002 12.42 -8.77 C:12201 15.99 -6.60 C:28 13.41 -17.07 C:29 11.68 -17.19 C:30 16.10 -12.32 C:18 17.39 -10.16 C:19 13.54 -12.25 O 10.00 -11.38 O 14.83 -8.75 O 9.06 -14.45 O 17.36 -15.88 O 18.47 -9.35 C:23 21.37 -8.66 C:22 19.90 -9.00 C:21 21.21 -10.92 C:12003 18.40 -6.55 C:2 11.06 -13.20 C:6 14.85 -15.90 C:16 19.53 -12.24 O 12.42 -11.48 O 13.63 -10.86 O 16.05 -9.41 O 11.06 -15.69 O 17.70 -14.32 O 22.10 -9.86 C:1001 11.23 -10.73 C:11001 13.63 -9.47 C:3 10.44 -14.45 C:7 16.09 -15.27 C:12001 17.25 -8.67 C:20 19.90 -10.39 C:12002 17.25 -7.27 C:1 12.43 -12.89 C:15 18.71 -13.39 C:17 18.71 -11.12 C:11 14.85 -11.53 C:12 16.09 -10.80 C:4 12.43 -16.03 C:5 13.54 -15.17 C:8 16.09 -13.72 C:9 14.85 -12.97 C:13 17.39 -11.53 C:10 13.54 -13.72 C:14 17.39 -12.97 43 1 -2 45 2 -2 3 20 1 4 30 1 5 31 1 6 36 1 42 7 -2 42 8 -1 44 9 -1 46 10 -2 47 11 -1 12 30 2 13 31 2 14 32 2 15 33 2 16 34 2 17 18 2 17 29 1 18 35 1 19 29 1 19 35 2 20 36 1 21 32 1 21 37 1 22 33 1 22 43 1 23 38 1 23 39 1 24 30 1 37 24 -2 25 31 1 40 25 -2 26 34 1 41 26 -2 27 32 1 27 42 1 38 28 -1 48 28 -1 33 44 1 34 36 1 39 35 -2 37 47 1 38 48 1 39 46 1 40 41 1 40 45 1 41 46 1 42 43 1 43 47 1 44 45 1 44 48 1 45 47 1 46 48 1', '48 53 H 13.65 -16.15 H 14.88 -14.01 C 18.40 -5.15 C 11.23 -9.34 C 12.42 -8.77 C 15.99 -6.60 C 13.41 -17.07 C 11.68 -17.19 C 16.10 -12.32 C 17.39 -10.16 C 13.54 -12.25 O 10.00 -11.38 O 14.83 -8.75 O 9.06 -14.45 O 17.36 -15.88 O 18.47 -9.35 C 21.37 -8.66 C 19.90 -9.00 C 21.21 -10.92 C 18.40 -6.55 C 11.06 -13.20 C 14.85 -15.90 C 19.53 -12.24 O 12.42 -11.48 O 13.63 -10.86 O 16.05 -9.41 O 11.06 -15.69 O 17.70 -14.32 O 22.10 -9.86 C 11.23 -10.73 C 13.63 -9.47 C 10.44 -14.45 C 16.09 -15.27 C 17.25 -8.67 C 19.90 -10.39 C 17.25 -7.27 C 12.43 -12.89 C 18.71 -13.39 C 18.71 -11.12 C 14.85 -11.53 C 16.09 -10.80 C 12.43 -16.03 C 13.54 -15.17 C 16.09 -13.72 C 14.85 -12.97 C 17.39 -11.53 C 13.54 -13.72 C 17.39 -12.97 43 1 -2 45 2 -2 3 20 1 4 30 1 5 31 1 6 36 1 42 7 -2 42 8 -1 44 9 -1 46 10 -2 47 11 -1 12 30 2 13 31 2 14 32 2 15 33 2 16 34 2 17 18 2 17 29 1 18 35 1 19 29 1 19 35 2 20 36 1 21 32 1 21 37 1 22 33 1 22 43 1 23 38 1 23 39 1 24 30 1 37 24 -2 25 31 1 40 25 -2 26 34 1 41 26 -2 27 32 1 27 42 1 38 28 -1 48 28 -1 33 44 1 34 36 1 39 35 -2 37 47 1 38 48 1 39 46 1 40 41 1 40 45 1 41 46 1 42 43 1 43 47 1 44 45 1 44 48 1 45 47 1 46 48 1', '48 53 H 13.65 -16.15 H 14.88 -14.01 C:11 18.40 -5.15 C:21 11.23 -9.34 C:21 12.42 -8.77 C:16 15.99 -6.60 C:23 13.41 -17.07 C:34 11.68 -17.19 C:21 16.10 -12.32 C:15 17.39 -10.16 C:17 13.54 -12.25 O 10.00 -11.38 O 14.83 -8.75 O 9.06 -14.45 O 17.36 -15.88 O 18.47 -9.35 C:142 21.37 -8.66 C:112 19.90 -9.00 C:141 21.21 -10.92 C:26 18.40 -6.55 C:35 11.06 -13.20 C:39 14.85 -15.90 C:34 19.53 -12.24 O 12.42 -11.48 O 13.63 -10.86 O 16.05 -9.41 O 11.06 -15.69 O 17.70 -14.32 O 22.10 -9.86 C:169 11.23 -10.73 C:169 13.63 -9.47 C:169 10.44 -14.45 C:207 16.09 -15.27 C:175 17.25 -8.67 C:122 19.90 -10.39 C:41 17.25 -7.27 C:71 12.43 -12.89 C:56 18.71 -13.39 C:42 18.71 -11.12 C:76 14.85 -11.53 C:81 16.09 -10.80 C:84 12.43 -16.03 C:51 13.54 -15.17 C:45 16.09 -13.72 C:44 14.85 -12.97 C:45 17.39 -11.53 C:44 13.54 -13.72 C:68 17.39 -12.97 43 1 -2 45 2 -2 3 20 1 4 30 1 5 31 1 6 36 1 42 7 -2 42 8 -1 44 9 -1 46 10 -2 47 11 -1 12 30 2 13 31 2 14 32 2 15 33 2 16 34 2 17 18 2 17 29 1 18 35 1 19 29 1 19 35 2 20 36 1 21 32 1 21 37 1 22 33 1 22 43 1 23 38 1 23 39 1 24 30 1 37 24 -2 25 31 1 40 25 -2 26 34 1 41 26 -2 27 32 1 27 42 1 38 28 -1 48 28 -1 33 44 1 34 36 1 39 35 -2 37 47 1 38 48 1 39 46 1 40 41 1 40 45 1 41 46 1 42 43 1 43 47 1 44 45 1 44 48 1 45 47 1 46 48 1', 'C35H46O11', 642.384, 'C', 'np08_93_7', 371, '', '', '1', 1, NULL, NULL),
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