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
(7442, '', '8,3í-Dihydroxy-5,7,4í-trimethoxy-4-phenylcoumarin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:104001]O[c:104]3[cH:105][cH:106][c:101]([c:4]1[cH:3][c:2](=O)o[c:9]2[c:8](O)[c:7](O[CH3:7001])[cH:6][c:5](O[CH3:5001])[c:10]12)[cH:102][c:103]3O', 'COc3ccc(c1cc(=O)oc2c(O)c(OC)cc(OC)c12)cc3O', '[CH3:9999]O[c:149]3[cH:113][cH:120][c:134]([c:158]1[cH:113][c:163](=O)o[c:145]2[c:130](O)[c:152](O[CH3:9999])[cH:95][c:153](O[CH3:9999])[c:104]12)[cH:116][c:147]3O', '25 27 C:104001 16.22 -16.38 C:7001 11.31 -7.93 C:5001 13.70 -12.19 O 19.82 -7.28 O 19.81 -14.23 O 14.97 -5.88 C:106 16.17 -12.17 C:105 16.17 -13.54 C:102 18.59 -12.17 C:6 13.73 -9.38 C:3 18.59 -9.38 O 17.42 -15.65 O 12.53 -7.25 O 14.93 -11.50 O 17.39 -7.28 C:103 18.59 -13.54 C:101 17.39 -11.47 C:104 17.39 -14.25 C:7 13.73 -7.97 C:5 14.93 -10.08 C:8 14.93 -7.28 C:4 17.39 -10.08 C:2 18.59 -7.97 C:9 16.17 -7.97 C:10 16.17 -9.38 1 12 1 2 13 1 3 14 1 4 23 2 5 16 1 6 21 1 7 8 1 7 17 2 8 18 2 9 16 2 9 17 1 10 19 2 10 20 1 11 22 2 11 23 1 12 18 1 13 19 1 14 20 1 15 23 1 15 24 1 16 18 1 17 22 1 19 21 1 20 25 2 21 24 2 22 25 1 24 25 1', '25 27 C 16.22 -16.38 C 11.31 -7.93 C 13.70 -12.19 O 19.82 -7.28 O 19.81 -14.23 O 14.97 -5.88 C 16.17 -12.17 C 16.17 -13.54 C 18.59 -12.17 C 13.73 -9.38 C 18.59 -9.38 O 17.42 -15.65 O 12.53 -7.25 O 14.93 -11.50 O 17.39 -7.28 C 18.59 -13.54 C 17.39 -11.47 C 17.39 -14.25 C 13.73 -7.97 C 14.93 -10.08 C 14.93 -7.28 C 17.39 -10.08 C 18.59 -7.97 C 16.17 -7.97 C 16.17 -9.38 1 12 1 2 13 1 3 14 1 4 23 2 5 16 1 6 21 1 7 8 1 7 17 2 8 18 2 9 16 2 9 17 1 10 19 2 10 20 1 11 22 2 11 23 1 12 18 1 13 19 1 14 20 1 15 23 1 15 24 1 16 18 1 17 22 1 19 21 1 20 25 2 21 24 2 22 25 1 24 25 1', '25 27 C 16.22 -16.38 C 11.31 -7.93 C 13.70 -12.19 O 19.82 -7.28 O 19.81 -14.23 O 14.97 -5.88 C:120 16.17 -12.17 C:113 16.17 -13.54 C:116 18.59 -12.17 C:95 13.73 -9.38 C:113 18.59 -9.38 O 17.42 -15.65 O 12.53 -7.25 O 14.93 -11.50 O 17.39 -7.28 C:147 18.59 -13.54 C:134 17.39 -11.47 C:149 17.39 -14.25 C:152 13.73 -7.97 C:153 14.93 -10.08 C:130 14.93 -7.28 C:158 17.39 -10.08 C:163 18.59 -7.97 C:145 16.17 -7.97 C:104 16.17 -9.38 1 12 1 2 13 1 3 14 1 4 23 2 5 16 1 6 21 1 7 8 1 7 17 2 8 18 2 9 16 2 9 17 1 10 19 2 10 20 1 11 22 2 11 23 1 12 18 1 13 19 1 14 20 1 15 23 1 15 24 1 16 18 1 17 22 1 19 21 1 20 25 2 21 24 2 22 25 1 24 25 1', 'C18H16O7', 344.188, 'M', 'np90_161_1', 515, '', '', '2', 1, NULL, NULL),
(7443, '', '3í,4í-Methylenedioxy-5,7,8-trimethoxy-4-phenylcoumarin ', 'Flavonoids', 'Neoflavonoids', '', '[CH3:7001]O[c:7]4[cH:6][c:5](O[CH3:5001])[c:10]3[c:4]([c:101]2[cH:106][cH:105][c:104]1O[CH2:103001]O[c:103]1[cH:102]2)[cH:3][c:2](=O)o[c:9]3[c:8]4O[CH3:8001]', 'COc4cc(OC)c3c(c2ccc1OCOc1c2)cc(=O)oc3c4OC', '[CH3:56]O[c:154]4[cH:93][c:155](O[CH3:56])[c:102]3[c:156]([c:134]2[cH:121][cH:108][c:147]1O[CH2:101]O[c:147]1[cH:108]2)[cH:9999][c:160](=O)o[c:146]3[c:130]4O[CH3:62]', '26 29 C:7001 11.30 -8.59 C:5001 13.69 -12.85 C:8001 16.15 -5.87 O 19.80 -7.94 C:106 16.15 -12.83 C:105 16.15 -14.20 C:102 18.57 -12.83 C:6 13.69 -10.04 C:3 18.57 -10.04 C:103001 19.07 -16.40 O 12.52 -7.91 O 14.92 -12.16 O 14.92 -6.54 O 17.67 -16.27 O 19.62 -15.12 O 17.37 -7.94 C:101 17.37 -12.13 C:104 17.37 -14.91 C:103 18.57 -14.20 C:7 13.69 -8.63 C:5 14.92 -10.74 C:4 17.37 -10.74 C:8 14.92 -7.94 C:2 18.57 -8.63 C:9 16.15 -8.63 C:10 16.15 -10.04 1 11 1 2 12 1 3 13 1 4 24 2 5 6 1 5 17 2 6 18 2 7 17 1 7 19 2 8 20 2 8 21 1 9 22 2 9 24 1 10 14 1 10 15 1 11 20 1 12 21 1 13 23 1 14 18 1 15 19 1 16 24 1 16 25 1 17 22 1 18 19 1 20 23 1 21 26 2 22 26 1 23 25 2 25 26 1', '26 29 C 11.30 -8.59 C 13.69 -12.85 C 16.15 -5.87 O 19.80 -7.94 C 16.15 -12.83 C 16.15 -14.20 C 18.57 -12.83 C 13.69 -10.04 C 18.57 -10.04 C 19.07 -16.40 O 12.52 -7.91 O 14.92 -12.16 O 14.92 -6.54 O 17.67 -16.27 O 19.62 -15.12 O 17.37 -7.94 C 17.37 -12.13 C 17.37 -14.91 C 18.57 -14.20 C 13.69 -8.63 C 14.92 -10.74 C 17.37 -10.74 C 14.92 -7.94 C 18.57 -8.63 C 16.15 -8.63 C 16.15 -10.04 1 11 1 2 12 1 3 13 1 4 24 2 5 6 1 5 17 2 6 18 2 7 17 1 7 19 2 8 20 2 8 21 1 9 22 2 9 24 1 10 14 1 10 15 1 11 20 1 12 21 1 13 23 1 14 18 1 15 19 1 16 24 1 16 25 1 17 22 1 18 19 1 20 23 1 21 26 2 22 26 1 23 25 2 25 26 1', '26 29 C:56 11.30 -8.59 C:56 13.69 -12.85 C:62 16.15 -5.87 O 19.80 -7.94 C:121 16.15 -12.83 C:108 16.15 -14.20 C:108 18.57 -12.83 C:93 13.69 -10.04 C 18.57 -10.04 C:101 19.07 -16.40 O 12.52 -7.91 O 14.92 -12.16 O 14.92 -6.54 O 17.67 -16.27 O 19.62 -15.12 O 17.37 -7.94 C:134 17.37 -12.13 C:147 17.37 -14.91 C:147 18.57 -14.20 C:154 13.69 -8.63 C:155 14.92 -10.74 C:156 17.37 -10.74 C:130 14.92 -7.94 C:160 18.57 -8.63 C:146 16.15 -8.63 C:102 16.15 -10.04 1 11 1 2 12 1 3 13 1 4 24 2 5 6 1 5 17 2 6 18 2 7 17 1 7 19 2 8 20 2 8 21 1 9 22 2 9 24 1 10 14 1 10 15 1 11 20 1 12 21 1 13 23 1 14 18 1 15 19 1 16 24 1 16 25 1 17 22 1 18 19 1 20 23 1 21 26 2 22 26 1 23 25 2 25 26 1', 'C19H16O7', 356.199, 'C', 'ph29_3984_5a', 499, '', '', '2', 1, NULL, NULL),
(7444, 'Isomammeisin (mammea A/BA)', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6005][C:6003]([CH3:6004])=[CH:6002][CH2:6001][c:6]3[c:7](O)[c:8]([C:8001](=O)[CH2:8002][CH:8003]([CH3:8005])[CH3:8004])[c:9]2o[c:2](=O)[cH:3][c:4]([c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[c:10]2[c:5]3O', 'CC(C)=CCc3c(O)c(C(=O)CC(C)C)c2oc(=O)cc(c1ccccc1)c2c3O', '[CH3:26][C:137]([CH3:18])=[CH:121][CH2:22][c:104]3[c:167](O)[c:112]([C:206](=O)[CH2:54][CH:26]([CH3:23])[CH3:23])[c:156]2o[c:157](=O)[cH:113][c:154]([c:134]1[cH:128][cH:130][cH:130][cH:130][cH:128]1)[c:101]2[c:159]3O', '30 32 C:6005 10.11 -11.86 C:6004 11.32 -13.94 C:8005 16.17 -5.54 C:8004 18.62 -5.63 O 14.97 -7.65 O 21.05 -9.75 O 13.77 -9.76 O 16.17 -13.94 C:6002 12.53 -11.86 C:104 18.62 -16.76 C:103 19.83 -16.06 C:105 17.41 -16.06 C:102 19.83 -14.64 C:106 17.41 -14.64 C:3 19.83 -11.86 C:6001 13.77 -12.54 C:8002 17.41 -7.66 O 18.62 -9.75 C:6003 11.32 -12.54 C:8001 16.17 -8.35 C:7 14.97 -10.45 C:101 18.62 -13.94 C:5 16.17 -12.54 C:6 14.97 -11.86 C:4 18.62 -12.54 C:8 16.17 -9.75 C:2 19.83 -10.45 C:9 17.41 -10.45 C:10 17.41 -11.86 C:8003 17.41 -6.29 1 19 1 2 19 1 3 30 1 4 30 1 5 20 2 6 27 2 7 21 1 8 23 1 9 16 1 9 19 2 10 11 1 10 12 2 11 13 2 12 14 1 13 22 1 14 22 2 15 25 2 15 27 1 16 24 1 17 20 1 17 30 1 18 27 1 18 28 1 20 26 1 21 24 1 21 26 2 22 25 1 23 24 2 23 29 1 25 29 1 26 28 1 28 29 2', '30 32 C 10.11 -11.86 C 11.32 -13.94 C 16.17 -5.54 C 18.62 -5.63 O 14.97 -7.65 O 21.05 -9.75 O 13.77 -9.76 O 16.17 -13.94 C 12.53 -11.86 C 18.62 -16.76 C 19.83 -16.06 C 17.41 -16.06 C 19.83 -14.64 C 17.41 -14.64 C 19.83 -11.86 C 13.77 -12.54 C 17.41 -7.66 O 18.62 -9.75 C 11.32 -12.54 C 16.17 -8.35 C 14.97 -10.45 C 18.62 -13.94 C 16.17 -12.54 C 14.97 -11.86 C 18.62 -12.54 C 16.17 -9.75 C 19.83 -10.45 C 17.41 -10.45 C 17.41 -11.86 C 17.41 -6.29 1 19 1 2 19 1 3 30 1 4 30 1 5 20 2 6 27 2 7 21 1 8 23 1 9 16 1 9 19 2 10 11 1 10 12 2 11 13 2 12 14 1 13 22 1 14 22 2 15 25 2 15 27 1 16 24 1 17 20 1 17 30 1 18 27 1 18 28 1 20 26 1 21 24 1 21 26 2 22 25 1 23 24 2 23 29 1 25 29 1 26 28 1 28 29 2', '30 32 C:26 10.11 -11.86 C:18 11.32 -13.94 C:23 16.17 -5.54 C:23 18.62 -5.63 O 14.97 -7.65 O 21.05 -9.75 O 13.77 -9.76 O 16.17 -13.94 C:121 12.53 -11.86 C:130 18.62 -16.76 C:130 19.83 -16.06 C:130 17.41 -16.06 C:128 19.83 -14.64 C:128 17.41 -14.64 C:113 19.83 -11.86 C:22 13.77 -12.54 C:54 17.41 -7.66 O 18.62 -9.75 C:137 11.32 -12.54 C:206 16.17 -8.35 C:167 14.97 -10.45 C:134 18.62 -13.94 C:159 16.17 -12.54 C:104 14.97 -11.86 C:154 18.62 -12.54 C:112 16.17 -9.75 C:157 19.83 -10.45 C:156 17.41 -10.45 C:101 17.41 -11.86 C:26 17.41 -6.29 1 19 1 2 19 1 3 30 1 4 30 1 5 20 2 6 27 2 7 21 1 8 23 1 9 16 1 9 19 2 10 11 1 10 12 2 11 13 2 12 14 1 13 22 1 14 22 2 15 25 2 15 27 1 16 24 1 17 20 1 17 30 1 18 27 1 18 28 1 20 26 1 21 24 1 21 26 2 22 25 1 23 24 2 23 29 1 25 29 1 26 28 1 28 29 2', 'C25H26O5', 406.264, 'C', 'np05_369_5', 1353, '', 'C', '1', 1, NULL, NULL),
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(7461, '', '1,7-Dimethoxy-2,3-methylenedioxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]4[cH:6][cH:5][c:10001]3o[c:4001]2[cH:4][c:3]1O[CH2:2001]O[c:2]1[c:1](O[CH3:1001])[c:9001]2[c:9](=O)[c:8001]3[cH:8]4', 'COc4ccc3oc2cc1OCOc1c(OC)c2c(=O)c3c4', '[CH3:61]O[c:156]4[cH:124][cH:119][c:150]3o[c:155]2[cH:93][c:154]1O[CH2:102]O[c:134]1[c:142](O[CH3:56])[c:110]2[c:176](=O)[c:123]3[cH:106]4', '22 25 C:7001 10.24 -9.41 C:1001 18.70 -8.72 O 15.05 -9.42 C:6 11.44 -12.94 C:5 12.62 -13.63 C:4 17.48 -13.63 C:8 12.62 -10.83 C:2001 20.85 -12.24 O 10.24 -10.81 O 17.48 -9.43 O 20.03 -13.37 O 20.03 -11.10 O 15.05 -13.63 C:7 11.44 -11.53 C:3 18.70 -12.94 C:2 18.70 -11.53 C:1 17.48 -10.83 C:9 15.05 -10.83 C:10001 13.83 -12.94 C:4001 16.28 -12.94 C:8001 13.83 -11.53 C:9001 16.28 -11.53 1 9 1 2 10 1 3 18 2 4 5 1 4 14 2 5 19 2 6 15 2 6 20 1 7 14 1 7 21 2 8 11 1 8 12 1 9 14 1 10 17 1 11 15 1 12 16 1 13 19 1 13 20 1 15 16 1 16 17 2 17 22 1 18 21 1 18 22 1 19 21 1 20 22 2', '22 25 C 10.24 -9.41 C 18.70 -8.72 O 15.05 -9.42 C 11.44 -12.94 C 12.62 -13.63 C 17.48 -13.63 C 12.62 -10.83 C 20.85 -12.24 O 10.24 -10.81 O 17.48 -9.43 O 20.03 -13.37 O 20.03 -11.10 O 15.05 -13.63 C 11.44 -11.53 C 18.70 -12.94 C 18.70 -11.53 C 17.48 -10.83 C 15.05 -10.83 C 13.83 -12.94 C 16.28 -12.94 C 13.83 -11.53 C 16.28 -11.53 1 9 1 2 10 1 3 18 2 4 5 1 4 14 2 5 19 2 6 15 2 6 20 1 7 14 1 7 21 2 8 11 1 8 12 1 9 14 1 10 17 1 11 15 1 12 16 1 13 19 1 13 20 1 15 16 1 16 17 2 17 22 1 18 21 1 18 22 1 19 21 1 20 22 2', '22 25 C:61 10.24 -9.41 C:56 18.70 -8.72 O 15.05 -9.42 C:124 11.44 -12.94 C:119 12.62 -13.63 C:93 17.48 -13.63 C:106 12.62 -10.83 C:102 20.85 -12.24 O 10.24 -10.81 O 17.48 -9.43 O 20.03 -13.37 O 20.03 -11.10 O 15.05 -13.63 C:156 11.44 -11.53 C:154 18.70 -12.94 C:134 18.70 -11.53 C:142 17.48 -10.83 C:176 15.05 -10.83 C:150 13.83 -12.94 C:155 16.28 -12.94 C:123 13.83 -11.53 C:110 16.28 -11.53 1 9 1 2 10 1 3 18 2 4 5 1 4 14 2 5 19 2 6 15 2 6 20 1 7 14 1 7 21 2 8 11 1 8 12 1 9 14 1 10 17 1 11 15 1 12 16 1 13 19 1 13 20 1 15 16 1 16 17 2 17 22 1 18 21 1 18 22 1 19 21 1 20 22 2', 'C16H12O6', 300.168, 'C', 'ph55_847_8', 475, 'In paper error compound 7', 'Igual a ph31_3997', '1', 35, NULL, NULL),
(7462, '1,7,8-Trimethoxy-2,3-methylenedioxyxanthone', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]4[cH:6][cH:5][c:10001]3o[c:4001]2[cH:4][c:3]1O[CH2:2001]O[c:2]1[c:1](O[CH3:1001])[c:9001]2[c:9](=O)[c:8001]3[c:8]4O[CH3:101]', 'COc4ccc3oc2cc1OCOc1c(OC)c2c(=O)c3c4OC', '[CH3:61]O[c:149]4[cH:119][cH:112][c:150]3o[c:154]2[cH:92][c:153]1O[CH2:102]O[c:134]1[c:142](O[CH3:57])[c:111]2[c:175](=O)[c:118]3[c:149]4O[CH3:62]', '24 27 C:7001 9.63 -11.46 C:101 11.91 -8.77 C:1001 19.32 -8.71 O 15.65 -9.41 C:6 12.03 -12.92 C:5 13.21 -13.61 C:4 18.09 -13.61 C:2001 21.46 -12.22 O 10.85 -10.79 O 13.21 -9.42 O 18.09 -9.42 O 20.64 -13.35 O 20.64 -11.09 O 15.65 -13.61 C:7 12.03 -11.52 C:3 19.32 -12.92 C:2 19.32 -11.52 C:8 13.21 -10.82 C:1 18.09 -10.82 C:9 15.65 -10.82 C:10001 14.44 -12.92 C:4001 16.88 -12.92 C:8001 14.44 -11.52 C:9001 16.88 -11.52 1 9 1 2 10 1 3 11 1 4 20 2 5 6 1 5 15 2 6 21 2 7 16 2 7 22 1 8 12 1 8 13 1 9 15 1 10 18 1 11 19 1 12 16 1 13 17 1 14 21 1 14 22 1 15 18 1 16 17 1 17 19 2 18 23 2 19 24 1 20 23 1 20 24 1 21 23 1 22 24 2', '24 27 C 9.63 -11.46 C 11.91 -8.77 C 19.32 -8.71 O 15.65 -9.41 C 12.03 -12.92 C 13.21 -13.61 C 18.09 -13.61 C 21.46 -12.22 O 10.85 -10.79 O 13.21 -9.42 O 18.09 -9.42 O 20.64 -13.35 O 20.64 -11.09 O 15.65 -13.61 C 12.03 -11.52 C 19.32 -12.92 C 19.32 -11.52 C 13.21 -10.82 C 18.09 -10.82 C 15.65 -10.82 C 14.44 -12.92 C 16.88 -12.92 C 14.44 -11.52 C 16.88 -11.52 1 9 1 2 10 1 3 11 1 4 20 2 5 6 1 5 15 2 6 21 2 7 16 2 7 22 1 8 12 1 8 13 1 9 15 1 10 18 1 11 19 1 12 16 1 13 17 1 14 21 1 14 22 1 15 18 1 16 17 1 17 19 2 18 23 2 19 24 1 20 23 1 20 24 1 21 23 1 22 24 2', '24 27 C:61 9.63 -11.46 C:62 11.91 -8.77 C:57 19.32 -8.71 O 15.65 -9.41 C:119 12.03 -12.92 C:112 13.21 -13.61 C:92 18.09 -13.61 C:102 21.46 -12.22 O 10.85 -10.79 O 13.21 -9.42 O 18.09 -9.42 O 20.64 -13.35 O 20.64 -11.09 O 15.65 -13.61 C:149 12.03 -11.52 C:153 19.32 -12.92 C:134 19.32 -11.52 C:149 13.21 -10.82 C:142 18.09 -10.82 C:175 15.65 -10.82 C:150 14.44 -12.92 C:154 16.88 -12.92 C:118 14.44 -11.52 C:111 16.88 -11.52 1 9 1 2 10 1 3 11 1 4 20 2 5 6 1 5 15 2 6 21 2 7 16 2 7 22 1 8 12 1 8 13 1 9 15 1 10 18 1 11 19 1 12 16 1 13 17 1 14 21 1 14 22 1 15 18 1 16 17 1 17 19 2 18 23 2 19 24 1 20 23 1 20 24 1 21 23 1 22 24 2', 'C17H14O7', 330.178, 'C', 'ph55_847_3', 475, '', '', '1', 35, NULL, NULL),
(7463, '', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[cH:6][cH:5][c:10001]2o[c:4001]1[c:4](O[CH3:101])[c:3](O[CH3:3001])[cH:2][c:1](O[CH3:1001])[c:9001]1[c:9](=O)[c:8001]2[c:8]3O[CH3:201]', 'COc3ccc2oc1c(OC)c(OC)cc(OC)c1c(=O)c2c3OC', '[CH3:62]O[c:150]3[cH:119][cH:112][c:149]2o[c:151]1[c:130](O[CH3:57])[c:157](O[CH3:56])[cH:91][c:157](O[CH3:62])[c:108]1[c:176](=O)[c:118]2[c:149]3O[CH3:56]', '25 27 C:7001 10.12 -10.48 C:3001 21.01 -13.97 C:1001 19.81 -7.67 C:101 17.38 -14.66 C:201 12.47 -7.70 O 16.17 -8.36 C:6 12.54 -11.87 C:5 13.73 -12.56 C:2 19.81 -10.47 O 11.33 -9.77 O 21.01 -12.57 O 18.60 -8.37 O 18.60 -13.96 O 13.73 -8.37 O 16.17 -12.56 C:7 12.54 -10.47 C:3 19.81 -11.87 C:1 18.60 -9.77 C:4 18.60 -12.56 C:8 13.73 -9.77 C:9 16.17 -9.77 C:10001 14.95 -11.87 C:4001 17.38 -11.87 C:9001 17.38 -10.47 C:8001 14.95 -10.47 1 10 1 2 11 1 3 12 1 4 13 1 5 14 1 6 21 2 7 8 1 7 16 2 8 22 2 9 17 1 9 18 2 10 16 1 11 17 1 12 18 1 13 19 1 14 20 1 15 22 1 15 23 1 16 20 1 17 19 2 18 24 1 19 23 1 20 25 2 21 24 1 21 25 1 22 25 1 23 24 2', '25 27 C 10.12 -10.48 C 21.01 -13.97 C 19.81 -7.67 C 17.38 -14.66 C 12.47 -7.70 O 16.17 -8.36 C 12.54 -11.87 C 13.73 -12.56 C 19.81 -10.47 O 11.33 -9.77 O 21.01 -12.57 O 18.60 -8.37 O 18.60 -13.96 O 13.73 -8.37 O 16.17 -12.56 C 12.54 -10.47 C 19.81 -11.87 C 18.60 -9.77 C 18.60 -12.56 C 13.73 -9.77 C 16.17 -9.77 C 14.95 -11.87 C 17.38 -11.87 C 17.38 -10.47 C 14.95 -10.47 1 10 1 2 11 1 3 12 1 4 13 1 5 14 1 6 21 2 7 8 1 7 16 2 8 22 2 9 17 1 9 18 2 10 16 1 11 17 1 12 18 1 13 19 1 14 20 1 15 22 1 15 23 1 16 20 1 17 19 2 18 24 1 19 23 1 20 25 2 21 24 1 21 25 1 22 25 1 23 24 2', '25 27 C:62 10.12 -10.48 C:56 21.01 -13.97 C:62 19.81 -7.67 C:57 17.38 -14.66 C:56 12.47 -7.70 O 16.17 -8.36 C:119 12.54 -11.87 C:112 13.73 -12.56 C:91 19.81 -10.47 O 11.33 -9.77 O 21.01 -12.57 O 18.60 -8.37 O 18.60 -13.96 O 13.73 -8.37 O 16.17 -12.56 C:150 12.54 -10.47 C:157 19.81 -11.87 C:157 18.60 -9.77 C:130 18.60 -12.56 C:149 13.73 -9.77 C:176 16.17 -9.77 C:149 14.95 -11.87 C:151 17.38 -11.87 C:108 17.38 -10.47 C:118 14.95 -10.47 1 10 1 2 11 1 3 12 1 4 13 1 5 14 1 6 21 2 7 8 1 7 16 2 8 22 2 9 17 1 9 18 2 10 16 1 11 17 1 12 18 1 13 19 1 14 20 1 15 22 1 15 23 1 16 20 1 17 19 2 18 24 1 19 23 1 20 25 2 21 24 1 21 25 1 22 25 1 23 24 2', 'C18H18O7', 346.188, 'C', 'ph55_847_9', 475, 'In paper an OMe at 156.8', '', '1', 35, 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
(7464, 'Hypericophenonoside', '', 'Aromatics', 'Benzophenones', '', 'O=[C:107]([c:101]1[cH:106][c:105](O)[cH:104][cH:103][c:102]1O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[c:1]3[c:2](O)[cH:3][c:4](O)[cH:5][c:6]3O', 'O=C(c1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(O)cc(O)cc3O', 'O=[C:199]([c:137]1[cH:115][c:154](O)[cH:118][cH:120][c:149]1O[C@@H:105]2O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:76]2O)[c:107]3[c:166](O)[cH:96][c:167](O)[cH:96][c:166]3O', '30 32 O 13.15 -11.83 O 16.82 -4.16 O 19.24 -12.51 O 14.43 -18.11 O 11.94 -13.94 O 16.80 -13.92 O 11.96 -5.56 O 14.39 -4.16 O 11.94 -8.37 C:104 18.01 -10.45 C:103 16.81 -9.73 C:3 13.15 -16.03 C:5 15.59 -16.03 C:106 16.81 -12.54 C:206 16.82 -5.56 O 14.43 -9.77 O 15.59 -7.66 C:107 14.43 -12.54 C:105 18.01 -11.83 C:4 14.43 -16.71 C:2 13.15 -14.63 C:6 15.59 -14.63 C:102 15.59 -10.45 C:101 15.59 -11.83 C:1 14.43 -13.94 C:203 13.15 -6.26 C:204 14.43 -5.56 C:202 13.15 -7.66 C:205 15.59 -6.26 C:201 14.43 -8.37 1 18 2 2 15 1 3 19 1 4 20 1 5 21 1 6 22 1 26 7 -1 27 8 -2 28 9 -2 10 11 1 10 19 2 11 23 2 12 20 1 12 21 2 13 20 2 13 22 1 14 19 1 14 24 2 29 15 -1 16 23 1 30 16 -1 17 29 1 17 30 1 18 24 1 18 25 1 21 25 1 22 25 2 23 24 1 26 27 1 26 28 1 27 29 1 28 30 1', '30 32 O 13.15 -11.83 O 16.82 -4.16 O 19.24 -12.51 O 14.43 -18.11 O 11.94 -13.94 O 16.80 -13.92 O 11.96 -5.56 O 14.39 -4.16 O 11.94 -8.37 C 18.01 -10.45 C 16.81 -9.73 C 13.15 -16.03 C 15.59 -16.03 C 16.81 -12.54 C 16.82 -5.56 O 14.43 -9.77 O 15.59 -7.66 C 14.43 -12.54 C 18.01 -11.83 C 14.43 -16.71 C 13.15 -14.63 C 15.59 -14.63 C 15.59 -10.45 C 15.59 -11.83 C 14.43 -13.94 C 13.15 -6.26 C 14.43 -5.56 C 13.15 -7.66 C 15.59 -6.26 C 14.43 -8.37 1 18 2 2 15 1 3 19 1 4 20 1 5 21 1 6 22 1 26 7 -1 27 8 -2 28 9 -2 10 11 1 10 19 2 11 23 2 12 20 1 12 21 2 13 20 2 13 22 1 14 19 1 14 24 2 29 15 -1 16 23 1 30 16 -1 17 29 1 17 30 1 18 24 1 18 25 1 21 25 1 22 25 2 23 24 1 26 27 1 26 28 1 27 29 1 28 30 1', '30 32 O 13.15 -11.83 O 16.82 -4.16 O 19.24 -12.51 O 14.43 -18.11 O 11.94 -13.94 O 16.80 -13.92 O 11.96 -5.56 O 14.39 -4.16 O 11.94 -8.37 C:118 18.01 -10.45 C:120 16.81 -9.73 C:96 13.15 -16.03 C:96 15.59 -16.03 C:115 16.81 -12.54 C:63 16.82 -5.56 O 14.43 -9.77 O 15.59 -7.66 C:199 14.43 -12.54 C:154 18.01 -11.83 C:167 14.43 -16.71 C:166 13.15 -14.63 C:166 15.59 -14.63 C:149 15.59 -10.45 C:137 15.59 -11.83 C:107 14.43 -13.94 C:78 13.15 -6.26 C:72 14.43 -5.56 C:76 13.15 -7.66 C:78 15.59 -6.26 C:105 14.43 -8.37 1 18 2 2 15 1 3 19 1 4 20 1 5 21 1 6 22 1 26 7 -1 27 8 -2 28 9 -2 10 11 1 10 19 2 11 23 2 12 20 1 12 21 2 13 20 2 13 22 1 14 19 1 14 24 2 29 15 -1 16 23 1 30 16 -1 17 29 1 17 30 1 18 24 1 18 25 1 21 25 1 22 25 2 23 24 1 26 27 1 26 28 1 27 29 1 28 30 1', 'C19H20O11', 424.197, 'A', 'ph57_1237_1', 1152, '', '', '1', 35, NULL, NULL),
(7465, 'Hypericophenonoside', '', 'Aromatics', 'Benzophenones', '', 'O=[C:107]([c:101]1[cH:106][c:105](O)[cH:104][cH:103][c:102]1O[C@@H:201]2O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[c:1]3[c:2](O)[cH:3][c:4](O)[cH:5][c:6]3O', 'O=C(c1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(O)cc(O)cc3O', 'O=[C:197]([c:135]1[cH:113][c:152](O)[cH:116][cH:118][c:146]1O[C@@H:103]2O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:73]2O)[c:105]3[c:164](O)[cH:94][c:165](O)[cH:94][c:164]3O', '30 32 O 13.15 -11.83 O 16.83 -4.16 O 19.25 -12.51 O 14.43 -18.12 O 11.94 -13.94 O 16.81 -13.92 O 11.96 -5.56 O 14.39 -4.16 O 11.94 -8.37 C:104 18.02 -10.45 C:103 16.82 -9.73 C:3 13.15 -16.03 C:5 15.59 -16.03 C:106 16.82 -12.54 C:206 16.83 -5.56 O 14.43 -9.77 O 15.59 -7.66 C:107 14.43 -12.54 C:105 18.02 -11.83 C:4 14.43 -16.72 C:2 13.15 -14.63 C:6 15.59 -14.63 C:102 15.59 -10.45 C:101 15.59 -11.83 C:1 14.43 -13.94 C:203 13.15 -6.26 C:204 14.43 -5.56 C:202 13.15 -7.66 C:205 15.59 -6.26 C:201 14.43 -8.37 1 18 2 2 15 1 3 19 1 4 20 1 5 21 1 6 22 1 26 7 -1 27 8 -2 28 9 -2 10 11 1 10 19 2 11 23 2 12 20 1 12 21 2 13 20 2 13 22 1 14 19 1 14 24 2 29 15 -1 16 23 1 30 16 -1 17 29 1 17 30 1 18 24 1 18 25 1 21 25 1 22 25 2 23 24 1 26 27 1 26 28 1 27 29 1 28 30 1', '30 32 O 13.15 -11.83 O 16.83 -4.16 O 19.25 -12.51 O 14.43 -18.12 O 11.94 -13.94 O 16.81 -13.92 O 11.96 -5.56 O 14.39 -4.16 O 11.94 -8.37 C 18.02 -10.45 C 16.82 -9.73 C 13.15 -16.03 C 15.59 -16.03 C 16.82 -12.54 C 16.83 -5.56 O 14.43 -9.77 O 15.59 -7.66 C 14.43 -12.54 C 18.02 -11.83 C 14.43 -16.72 C 13.15 -14.63 C 15.59 -14.63 C 15.59 -10.45 C 15.59 -11.83 C 14.43 -13.94 C 13.15 -6.26 C 14.43 -5.56 C 13.15 -7.66 C 15.59 -6.26 C 14.43 -8.37 1 18 2 2 15 1 3 19 1 4 20 1 5 21 1 6 22 1 26 7 -1 27 8 -2 28 9 -2 10 11 1 10 19 2 11 23 2 12 20 1 12 21 2 13 20 2 13 22 1 14 19 1 14 24 2 29 15 -1 16 23 1 30 16 -1 17 29 1 17 30 1 18 24 1 18 25 1 21 25 1 22 25 2 23 24 1 26 27 1 26 28 1 27 29 1 28 30 1', '30 32 O 13.15 -11.83 O 16.83 -4.16 O 19.25 -12.51 O 14.43 -18.12 O 11.94 -13.94 O 16.81 -13.92 O 11.96 -5.56 O 14.39 -4.16 O 11.94 -8.37 C:116 18.02 -10.45 C:118 16.82 -9.73 C:94 13.15 -16.03 C:94 15.59 -16.03 C:113 16.82 -12.54 C:61 16.83 -5.56 O 14.43 -9.77 O 15.59 -7.66 C:197 14.43 -12.54 C:152 18.02 -11.83 C:165 14.43 -16.72 C:164 13.15 -14.63 C:164 15.59 -14.63 C:146 15.59 -10.45 C:135 15.59 -11.83 C:105 14.43 -13.94 C:77 13.15 -6.26 C:70 14.43 -5.56 C:73 13.15 -7.66 C:77 15.59 -6.26 C:103 14.43 -8.37 1 18 2 2 15 1 3 19 1 4 20 1 5 21 1 6 22 1 26 7 -1 27 8 -2 28 9 -2 10 11 1 10 19 2 11 23 2 12 20 1 12 21 2 13 20 2 13 22 1 14 19 1 14 24 2 29 15 -1 16 23 1 30 16 -1 17 29 1 17 30 1 18 24 1 18 25 1 21 25 1 22 25 2 23 24 1 26 27 1 26 28 1 27 29 1 28 30 1', 'C19H20O11', 424.197, 'D', 'ph57_1237_1', 1152, '', '', '1', 35, NULL, NULL),
(7466, 'Annulatophenone', '', 'Aromatics', 'Benzophenones', '', '[CH3:4001]O[c:4]2[cH:3][c:2](O)[c:1]([C:107](=O)[c:101]1[cH:106][c:105](O)[cH:104][c:103](O)[cH:102]1)[c:6](O)[cH:5]2', 'COc2cc(O)c(C(=O)c1cc(O)cc(O)c1)c(O)c2', '[CH3:56]O[c:167]2[cH:95][c:164](O)[c:107]([C:200](=O)[c:145]1[cH:108][c:160](O)[cH:107][c:160](O)[cH:108]1)[c:164](O)[cH:95]2', '20 21 C:4001 13.24 -16.40 O 13.15 -9.40 O 19.24 -10.09 O 16.81 -5.90 O 11.95 -11.50 O 16.81 -11.48 C:104 18.02 -8.02 C:3 13.15 -13.58 C:5 15.60 -13.58 C:106 16.81 -10.11 C:102 15.60 -8.02 O 14.44 -15.67 C:107 14.44 -10.11 C:105 18.02 -9.40 C:103 16.81 -7.30 C:4 14.44 -14.27 C:2 13.15 -12.19 C:6 15.60 -12.19 C:101 15.60 -9.40 C:1 14.44 -11.50 1 12 1 2 13 2 3 14 1 4 15 1 5 17 1 6 18 1 7 14 2 7 15 1 8 16 1 8 17 2 9 16 2 9 18 1 10 14 1 10 19 2 11 15 2 11 19 1 12 16 1 13 19 1 13 20 1 17 20 1 18 20 2', '20 21 C 13.24 -16.40 O 13.15 -9.40 O 19.24 -10.09 O 16.81 -5.90 O 11.95 -11.50 O 16.81 -11.48 C 18.02 -8.02 C 13.15 -13.58 C 15.60 -13.58 C 16.81 -10.11 C 15.60 -8.02 O 14.44 -15.67 C 14.44 -10.11 C 18.02 -9.40 C 16.81 -7.30 C 14.44 -14.27 C 13.15 -12.19 C 15.60 -12.19 C 15.60 -9.40 C 14.44 -11.50 1 12 1 2 13 2 3 14 1 4 15 1 5 17 1 6 18 1 7 14 2 7 15 1 8 16 1 8 17 2 9 16 2 9 18 1 10 14 1 10 19 2 11 15 2 11 19 1 12 16 1 13 19 1 13 20 1 17 20 1 18 20 2', '20 21 C:56 13.24 -16.40 O 13.15 -9.40 O 19.24 -10.09 O 16.81 -5.90 O 11.95 -11.50 O 16.81 -11.48 C:107 18.02 -8.02 C:95 13.15 -13.58 C:95 15.60 -13.58 C:108 16.81 -10.11 C:108 15.60 -8.02 O 14.44 -15.67 C:200 14.44 -10.11 C:160 18.02 -9.40 C:160 16.81 -7.30 C:167 14.44 -14.27 C:164 13.15 -12.19 C:164 15.60 -12.19 C:145 15.60 -9.40 C:107 14.44 -11.50 1 12 1 2 13 2 3 14 1 4 15 1 5 17 1 6 18 1 7 14 2 7 15 1 8 16 1 8 17 2 9 16 2 9 18 1 10 14 1 10 19 2 11 15 2 11 19 1 12 16 1 13 19 1 13 20 1 17 20 1 18 20 2', 'C14H12O6', 276.146, 'A', 'ph57_1237_2', 1152, '', '', '1', 35, NULL, NULL),
(7467, 'Annulatophenone', '', 'Aromatics', 'Benzophenones', '', '[CH3:4001]O[c:4]2[cH:3][c:2](O)[c:1]([C:107](=O)[c:101]1[cH:106][c:105](O)[cH:104][c:103](O)[cH:102]1)[c:6](O)[cH:5]2', 'COc2cc(O)c(C(=O)c1cc(O)cc(O)c1)c(O)c2', '[CH3:55]O[c:162]2[cH:93][c:158](O)[c:107]([C:196](=O)[c:141]1[cH:109][c:158](O)[cH:107][c:158](O)[cH:109]1)[c:158](O)[cH:93]2', '20 21 C:4001 13.24 -16.40 O 13.15 -9.40 O 19.24 -10.09 O 16.81 -5.90 O 11.95 -11.50 O 16.81 -11.48 C:104 18.02 -8.02 C:3 13.15 -13.58 C:5 15.60 -13.58 C:106 16.81 -10.11 C:102 15.60 -8.02 O 14.44 -15.67 C:107 14.44 -10.11 C:105 18.02 -9.40 C:103 16.81 -7.30 C:4 14.44 -14.27 C:2 13.15 -12.19 C:6 15.60 -12.19 C:101 15.60 -9.40 C:1 14.44 -11.50 1 12 1 2 13 2 3 14 1 4 15 1 5 17 1 6 18 1 7 14 2 7 15 1 8 16 1 8 17 2 9 16 2 9 18 1 10 14 1 10 19 2 11 15 2 11 19 1 12 16 1 13 19 1 13 20 1 17 20 1 18 20 2', '20 21 C 13.24 -16.40 O 13.15 -9.40 O 19.24 -10.09 O 16.81 -5.90 O 11.95 -11.50 O 16.81 -11.48 C 18.02 -8.02 C 13.15 -13.58 C 15.60 -13.58 C 16.81 -10.11 C 15.60 -8.02 O 14.44 -15.67 C 14.44 -10.11 C 18.02 -9.40 C 16.81 -7.30 C 14.44 -14.27 C 13.15 -12.19 C 15.60 -12.19 C 15.60 -9.40 C 14.44 -11.50 1 12 1 2 13 2 3 14 1 4 15 1 5 17 1 6 18 1 7 14 2 7 15 1 8 16 1 8 17 2 9 16 2 9 18 1 10 14 1 10 19 2 11 15 2 11 19 1 12 16 1 13 19 1 13 20 1 17 20 1 18 20 2', '20 21 C:55 13.24 -16.40 O 13.15 -9.40 O 19.24 -10.09 O 16.81 -5.90 O 11.95 -11.50 O 16.81 -11.48 C:107 18.02 -8.02 C:93 13.15 -13.58 C:93 15.60 -13.58 C:109 16.81 -10.11 C:109 15.60 -8.02 O 14.44 -15.67 C:196 14.44 -10.11 C:158 18.02 -9.40 C:158 16.81 -7.30 C:162 14.44 -14.27 C:158 13.15 -12.19 C:158 15.60 -12.19 C:141 15.60 -9.40 C:107 14.44 -11.50 1 12 1 2 13 2 3 14 1 4 15 1 5 17 1 6 18 1 7 14 2 7 15 1 8 16 1 8 17 2 9 16 2 9 18 1 10 14 1 10 19 2 11 15 2 11 19 1 12 16 1 13 19 1 13 20 1 17 20 1 18 20 2', 'C14H12O6', 276.146, 'D', 'ph57_1237_2', 1152, '', '', '1', 35, NULL, NULL),
(7468, 'Allanxanthone A', '', 'Aromatics', 'Xanthones', '', '[CH2:101]=[CH:102][C:103]([CH3:104])([CH3:105])[c:4]2[c:3](O)[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2004])[CH3:2005])[c:1](O)[c:9001]3[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]23', 'C=CC(C)(C)c2c(O)c(CC=C(C)C)c(O)c3c(=O)c1cccc(O)c1oc23', '[CH2:112]=[CH:151][C:42]([CH3:29])([CH3:29])[c:112]2[c:159](O)[c:112]([CH2:22][CH:123]=[C:134]([CH3:26])[CH3:18])[c:161](O)[c:108]3[c:182](=O)[c:122]1[cH:116][cH:125][cH:121][c:152](O)[c:147]1o[c:144]23', '28 30 C:101 18.01 -13.62 C:2004 21.66 -10.09 C:2005 20.44 -8.00 C:104 14.36 -12.92 C:105 14.36 -14.32 O 13.14 -8.02 O 10.66 -13.62 O 18.01 -12.24 O 15.58 -8.03 C:102 16.80 -14.32 C:2002 19.23 -10.11 C:7 9.52 -10.13 C:6 9.52 -11.53 C:8 10.70 -9.43 C:2001 18.01 -9.42 O 13.14 -12.22 C:2003 20.44 -9.40 C:5 10.66 -12.22 C:3 16.80 -11.53 C:1 15.58 -9.43 C:2 16.80 -10.13 C:4 15.58 -12.22 C:9 13.14 -9.43 C:8001 11.92 -10.13 C:10001 11.92 -11.53 C:4001 14.36 -11.53 C:9001 14.36 -10.13 C:103 15.58 -13.62 1 10 2 2 17 1 3 17 1 4 28 1 5 28 1 6 23 2 7 18 1 8 19 1 9 20 1 10 28 1 11 15 1 11 17 2 12 13 2 12 14 1 13 18 1 14 24 2 15 21 1 16 25 1 16 26 1 18 25 2 19 21 1 19 22 2 20 21 2 20 27 1 22 26 1 22 28 1 23 24 1 23 27 1 24 25 1 26 27 2', '28 30 C 18.01 -13.62 C 21.66 -10.09 C 20.44 -8.00 C 14.36 -12.92 C 14.36 -14.32 O 13.14 -8.02 O 10.66 -13.62 O 18.01 -12.24 O 15.58 -8.03 C 16.80 -14.32 C 19.23 -10.11 C 9.52 -10.13 C 9.52 -11.53 C 10.70 -9.43 C 18.01 -9.42 O 13.14 -12.22 C 20.44 -9.40 C 10.66 -12.22 C 16.80 -11.53 C 15.58 -9.43 C 16.80 -10.13 C 15.58 -12.22 C 13.14 -9.43 C 11.92 -10.13 C 11.92 -11.53 C 14.36 -11.53 C 14.36 -10.13 C 15.58 -13.62 1 10 2 2 17 1 3 17 1 4 28 1 5 28 1 6 23 2 7 18 1 8 19 1 9 20 1 10 28 1 11 15 1 11 17 2 12 13 2 12 14 1 13 18 1 14 24 2 15 21 1 16 25 1 16 26 1 18 25 2 19 21 1 19 22 2 20 21 2 20 27 1 22 26 1 22 28 1 23 24 1 23 27 1 24 25 1 26 27 2', '28 30 C:112 18.01 -13.62 C:26 21.66 -10.09 C:18 20.44 -8.00 C:29 14.36 -12.92 C:29 14.36 -14.32 O 13.14 -8.02 O 10.66 -13.62 O 18.01 -12.24 O 15.58 -8.03 C:151 16.80 -14.32 C:123 19.23 -10.11 C:125 9.52 -10.13 C:121 9.52 -11.53 C:116 10.70 -9.43 C:22 18.01 -9.42 O 13.14 -12.22 C:134 20.44 -9.40 C:152 10.66 -12.22 C:159 16.80 -11.53 C:161 15.58 -9.43 C:112 16.80 -10.13 C:112 15.58 -12.22 C:182 13.14 -9.43 C:122 11.92 -10.13 C:147 11.92 -11.53 C:144 14.36 -11.53 C:108 14.36 -10.13 C:42 15.58 -13.62 1 10 2 2 17 1 3 17 1 4 28 1 5 28 1 6 23 2 7 18 1 8 19 1 9 20 1 10 28 1 11 15 1 11 17 2 12 13 2 12 14 1 13 18 1 14 24 2 15 21 1 16 25 1 16 26 1 18 25 2 19 21 1 19 22 2 20 21 2 20 27 1 22 26 1 22 28 1 23 24 1 23 27 1 24 25 1 26 27 2', 'C23H24O5', 380.243, 'A', 'ph60_381_1', 1662, '', '', '1', 35, NULL, NULL),
(7469, '', '1,6-Dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone ', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]4[cH:5][c:10001]3o[c:4001]2[cH:4][c:3]1o[cH:2002][cH:2001][c:2]1[c:1](O)[c:9001]2[c:9](=O)[c:8001]3[c:8]([CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105])[c:7]4O[CH3:7001]', 'COc4cc3oc2cc1occc1c(O)c2c(=O)c3c(CC=C(C)C)c4OC', '[CH3:56]O[c:159]4[cH:98][c:153]3o[c:156]2[cH:90][c:159]1o[cH:144][cH:105][c:112]1[c:157](O)[c:105]2[c:184](=O)[c:111]3[c:138]([CH2:26][CH:123]=[C:132]([CH3:26])[CH3:18])[c:144]4O[CH3:61]', '28 31 C:6001 10.94 -15.35 C:7001 9.66 -11.78 C:104 10.73 -7.01 C:105 13.14 -6.93 O 15.69 -9.73 O 18.16 -9.73 C:102 11.99 -9.06 C:2002 21.49 -12.52 C:2001 20.67 -11.39 C:5 13.26 -13.96 C:4 18.16 -13.96 C:101 13.26 -9.73 O 10.94 -13.96 O 10.89 -11.11 O 20.67 -13.66 O 15.69 -13.96 C:103 11.99 -7.67 C:6 12.08 -13.23 C:1 18.16 -11.13 C:8 13.26 -11.11 C:7 12.08 -11.78 C:9 15.69 -11.11 C:10001 14.47 -13.23 C:3 19.35 -13.23 C:4001 16.92 -13.23 C:2 19.35 -11.82 C:9001 16.92 -11.78 C:8001 14.47 -11.78 1 13 1 2 14 1 3 17 1 4 17 1 5 22 2 6 19 1 7 12 1 7 17 2 8 9 2 8 15 1 9 26 1 10 18 1 10 23 2 11 24 2 11 25 1 12 20 1 13 18 1 14 21 1 15 24 1 16 23 1 16 25 1 18 21 2 19 26 2 19 27 1 20 21 1 20 28 2 22 27 1 22 28 1 23 28 1 24 26 1 25 27 2', '28 31 C 10.94 -15.35 C 9.66 -11.78 C 10.73 -7.01 C 13.14 -6.93 O 15.69 -9.73 O 18.16 -9.73 C 11.99 -9.06 C 21.49 -12.52 C 20.67 -11.39 C 13.26 -13.96 C 18.16 -13.96 C 13.26 -9.73 O 10.94 -13.96 O 10.89 -11.11 O 20.67 -13.66 O 15.69 -13.96 C 11.99 -7.67 C 12.08 -13.23 C 18.16 -11.13 C 13.26 -11.11 C 12.08 -11.78 C 15.69 -11.11 C 14.47 -13.23 C 19.35 -13.23 C 16.92 -13.23 C 19.35 -11.82 C 16.92 -11.78 C 14.47 -11.78 1 13 1 2 14 1 3 17 1 4 17 1 5 22 2 6 19 1 7 12 1 7 17 2 8 9 2 8 15 1 9 26 1 10 18 1 10 23 2 11 24 2 11 25 1 12 20 1 13 18 1 14 21 1 15 24 1 16 23 1 16 25 1 18 21 2 19 26 2 19 27 1 20 21 1 20 28 2 22 27 1 22 28 1 23 28 1 24 26 1 25 27 2', '28 31 C:56 10.94 -15.35 C:61 9.66 -11.78 C:26 10.73 -7.01 C:18 13.14 -6.93 O 15.69 -9.73 O 18.16 -9.73 C:123 11.99 -9.06 C:144 21.49 -12.52 C:105 20.67 -11.39 C:98 13.26 -13.96 C:90 18.16 -13.96 C:26 13.26 -9.73 O 10.94 -13.96 O 10.89 -11.11 O 20.67 -13.66 O 15.69 -13.96 C:132 11.99 -7.67 C:159 12.08 -13.23 C:157 18.16 -11.13 C:138 13.26 -11.11 C:144 12.08 -11.78 C:184 15.69 -11.11 C:153 14.47 -13.23 C:159 19.35 -13.23 C:156 16.92 -13.23 C:112 19.35 -11.82 C:105 16.92 -11.78 C:111 14.47 -11.78 1 13 1 2 14 1 3 17 1 4 17 1 5 22 2 6 19 1 7 12 1 7 17 2 8 9 2 8 15 1 9 26 1 10 18 1 10 23 2 11 24 2 11 25 1 12 20 1 13 18 1 14 21 1 15 24 1 16 23 1 16 25 1 18 21 2 19 26 2 19 27 1 20 21 1 20 28 2 22 27 1 22 28 1 23 28 1 24 26 1 25 27 2', 'C22H20O6', 380.232, 'C', 'ph60_541_7', 1953, 'The structure is not correct in the paper', '', '1', 35, NULL, NULL),
(7470, '', '1,6-Dihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)-xanthone', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[CH:102](O)[CH2:101][c:8]2[c:7](O[CH3:7001])[c:6](O[CH3:6001])[cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O[CH3:3001])[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2004])[CH3:2005])[c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'C=C(C)C(O)Cc2c(OC)c(OC)cc3oc1cc(OC)c(CC=C(C)C)c(O)c1c(=O)c23', '[CH2:110]=[C:149]([CH3:18])[CH:77](O)[CH2:33][c:134]2[c:145](O[CH3:61])[c:158](O[CH3:56])[cH:99][c:155]3o[c:155]1[cH:89][c:164](O[CH3:56])[c:112]([CH2:21][CH:122]=[C:132]([CH3:26])[CH3:18])[c:160](O)[c:104]1[c:183](=O)[c:113]23', '33 35 C:104 9.39 -6.98 C:3001 19.20 -15.33 C:6001 8.33 -13.26 C:7001 8.33 -11.78 C:2004 22.84 -11.77 C:2005 21.64 -9.68 C:105 11.88 -6.95 O 14.38 -9.70 O 16.81 -9.71 O 9.46 -9.75 C:2002 20.44 -11.79 C:4 16.81 -13.90 C:5 11.94 -13.90 C:2001 19.20 -11.10 C:101 11.94 -9.71 O 19.20 -13.93 O 9.56 -13.94 O 9.56 -11.09 O 14.38 -13.90 C:2003 21.64 -11.08 C:103 10.67 -7.65 C:3 18.02 -13.22 C:6 10.76 -13.22 C:1 16.81 -11.11 C:2 18.02 -11.81 C:7 10.76 -11.81 C:8 11.94 -11.11 C:9 14.38 -11.11 C:4001 15.60 -13.22 C:10001 13.16 -13.22 C:9001 15.60 -11.81 C:8001 13.16 -11.81 C:102 10.67 -9.05 1 21 2 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 21 1 8 28 2 9 24 1 10 33 1 11 14 1 11 20 2 12 22 2 12 29 1 13 23 1 13 30 2 14 25 1 15 27 1 15 33 1 16 22 1 17 23 1 18 26 1 19 29 1 19 30 1 21 33 1 22 25 1 23 26 2 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 31 2 30 32 1', '33 35 C 9.39 -6.98 C 19.20 -15.33 C 8.33 -13.26 C 8.33 -11.78 C 22.84 -11.77 C 21.64 -9.68 C 11.88 -6.95 O 14.38 -9.70 O 16.81 -9.71 O 9.46 -9.75 C 20.44 -11.79 C 16.81 -13.90 C 11.94 -13.90 C 19.20 -11.10 C 11.94 -9.71 O 19.20 -13.93 O 9.56 -13.94 O 9.56 -11.09 O 14.38 -13.90 C 21.64 -11.08 C 10.67 -7.65 C 18.02 -13.22 C 10.76 -13.22 C 16.81 -11.11 C 18.02 -11.81 C 10.76 -11.81 C 11.94 -11.11 C 14.38 -11.11 C 15.60 -13.22 C 13.16 -13.22 C 15.60 -11.81 C 13.16 -11.81 C 10.67 -9.05 1 21 2 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 21 1 8 28 2 9 24 1 10 33 1 11 14 1 11 20 2 12 22 2 12 29 1 13 23 1 13 30 2 14 25 1 15 27 1 15 33 1 16 22 1 17 23 1 18 26 1 19 29 1 19 30 1 21 33 1 22 25 1 23 26 2 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 31 2 30 32 1', '33 35 C:110 9.39 -6.98 C:56 19.20 -15.33 C:56 8.33 -13.26 C:61 8.33 -11.78 C:26 22.84 -11.77 C:18 21.64 -9.68 C:18 11.88 -6.95 O 14.38 -9.70 O 16.81 -9.71 O 9.46 -9.75 C:122 20.44 -11.79 C:89 16.81 -13.90 C:99 11.94 -13.90 C:21 19.20 -11.10 C:33 11.94 -9.71 O 19.20 -13.93 O 9.56 -13.94 O 9.56 -11.09 O 14.38 -13.90 C:132 21.64 -11.08 C:149 10.67 -7.65 C:164 18.02 -13.22 C:158 10.76 -13.22 C:160 16.81 -11.11 C:112 18.02 -11.81 C:145 10.76 -11.81 C:134 11.94 -11.11 C:183 14.38 -11.11 C:155 15.60 -13.22 C:155 13.16 -13.22 C:104 15.60 -11.81 C:113 13.16 -11.81 C:77 10.67 -9.05 1 21 2 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 21 1 8 28 2 9 24 1 10 33 1 11 14 1 11 20 2 12 22 2 12 29 1 13 23 1 13 30 2 14 25 1 15 27 1 15 33 1 16 22 1 17 23 1 18 26 1 19 29 1 19 30 1 21 33 1 22 25 1 23 26 2 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 31 2 30 32 1', 'C26H30O7', 454.274, 'C', 'ph60_541_8', 1953, 'The structure is not correct in the paper', '', '1', 35, NULL, NULL),
(7471, '', '1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methylbut-3-enyl)-8-(3-methylbut-2-enyl)-xanthone ', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[CH:102](O)[CH2:101][c:8]2[c:7](O[CH3:7001])[c:6](O)[cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O[CH3:3001])[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2004])[CH3:2005])[c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'C=C(C)C(O)Cc2c(OC)c(O)cc3oc1cc(OC)c(CC=C(C)C)c(O)c1c(=O)c23', '[CH2:113]=[C:147]([CH3:18])[CH:89](O)[CH2:30][c:135]2[c:146](O[CH3:61])[c:157](O)[cH:103][c:156]3o[c:156]1[cH:90][c:165](O[CH3:57])[c:112]([CH2:22][CH:123]=[C:132]([CH3:26])[CH3:18])[c:161](O)[c:104]1[c:183](=O)[c:112]23', '32 34 C:104 9.34 -6.99 C:3001 19.16 -15.33 C:7001 8.29 -11.80 C:2004 22.80 -11.80 C:2005 21.60 -9.73 C:105 11.84 -6.99 O 14.34 -9.72 O 9.51 -13.95 O 16.77 -9.77 O 9.42 -9.77 C:2002 20.40 -11.80 C:5 11.90 -13.95 C:4 16.77 -13.95 C:2001 19.16 -11.12 C:101 11.90 -9.73 O 19.16 -13.95 O 9.51 -11.12 O 14.34 -13.95 C:2003 21.60 -11.12 C:103 10.64 -7.66 C:6 10.73 -13.23 C:3 17.98 -13.23 C:1 16.77 -11.14 C:2 17.98 -11.80 C:7 10.73 -11.80 C:8 11.90 -11.12 C:9 14.34 -11.12 C:10001 13.11 -13.23 C:4001 15.55 -13.23 C:9001 15.55 -11.80 C:8001 13.11 -11.80 C:102 10.64 -9.06 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 27 2 8 21 1 9 23 1 10 32 1 11 14 1 11 19 2 12 21 1 12 28 2 13 22 2 13 29 1 14 24 1 15 26 1 15 32 1 16 22 1 17 25 1 18 28 1 18 29 1 20 32 1 21 25 2 22 24 1 23 24 2 23 30 1 25 26 1 26 31 2 27 30 1 27 31 1 28 31 1 29 30 2', '32 34 C 9.34 -6.99 C 19.16 -15.33 C 8.29 -11.80 C 22.80 -11.80 C 21.60 -9.73 C 11.84 -6.99 O 14.34 -9.72 O 9.51 -13.95 O 16.77 -9.77 O 9.42 -9.77 C 20.40 -11.80 C 11.90 -13.95 C 16.77 -13.95 C 19.16 -11.12 C 11.90 -9.73 O 19.16 -13.95 O 9.51 -11.12 O 14.34 -13.95 C 21.60 -11.12 C 10.64 -7.66 C 10.73 -13.23 C 17.98 -13.23 C 16.77 -11.14 C 17.98 -11.80 C 10.73 -11.80 C 11.90 -11.12 C 14.34 -11.12 C 13.11 -13.23 C 15.55 -13.23 C 15.55 -11.80 C 13.11 -11.80 C 10.64 -9.06 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 27 2 8 21 1 9 23 1 10 32 1 11 14 1 11 19 2 12 21 1 12 28 2 13 22 2 13 29 1 14 24 1 15 26 1 15 32 1 16 22 1 17 25 1 18 28 1 18 29 1 20 32 1 21 25 2 22 24 1 23 24 2 23 30 1 25 26 1 26 31 2 27 30 1 27 31 1 28 31 1 29 30 2', '32 34 C:113 9.34 -6.99 C:57 19.16 -15.33 C:61 8.29 -11.80 C:26 22.80 -11.80 C:18 21.60 -9.73 C:18 11.84 -6.99 O 14.34 -9.72 O 9.51 -13.95 O 16.77 -9.77 O 9.42 -9.77 C:123 20.40 -11.80 C:103 11.90 -13.95 C:90 16.77 -13.95 C:22 19.16 -11.12 C:30 11.90 -9.73 O 19.16 -13.95 O 9.51 -11.12 O 14.34 -13.95 C:132 21.60 -11.12 C:147 10.64 -7.66 C:157 10.73 -13.23 C:165 17.98 -13.23 C:161 16.77 -11.14 C:112 17.98 -11.80 C:146 10.73 -11.80 C:135 11.90 -11.12 C:183 14.34 -11.12 C:156 13.11 -13.23 C:156 15.55 -13.23 C:104 15.55 -11.80 C:112 13.11 -11.80 C:89 10.64 -9.06 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 27 2 8 21 1 9 23 1 10 32 1 11 14 1 11 19 2 12 21 1 12 28 2 13 22 2 13 29 1 14 24 1 15 26 1 15 32 1 16 22 1 17 25 1 18 28 1 18 29 1 20 32 1 21 25 2 22 24 1 23 24 2 23 30 1 25 26 1 26 31 2 27 30 1 27 31 1 28 31 1 29 30 2', 'C25H28O7', 440.263, 'A', 'ph60_541_9', 1953, 'The structure is not correct in the paper', '', '1', 35, NULL, NULL),
(7472, '', '1,3-Dihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-6,7-dimethoxy-8-(3-methylbut-2-enyl)-xanthone ', 'Aromatics', 'Xanthones', '', '[CH2:2005]=[C:2003]([CH3:2004])[CH:2002](O)[CH2:2001][c:2]3[c:3](O[CH3:3001])[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O)[c:7](O[CH3:7001])[c:8]([CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105])[c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'C=C(C)C(O)Cc3c(OC)cc2oc1cc(O)c(OC)c(CC=C(C)C)c1c(=O)c2c3O', '[CH2:113]=[C:146]([CH3:18])[CH:88](O)[CH2:25][c:109]3[c:165](O[CH3:57])[cH:90][c:157]2o[c:156]1[cH:103][c:158](O)[c:145](O[CH3:61])[c:138]([CH2:27][CH:125]=[C:132]([CH3:26])[CH3:17])[c:112]1[c:183](=O)[c:104]2[c:161]3O', '32 34 C:2005 21.61 -9.73 C:3001 19.17 -15.33 C:7001 8.30 -11.80 C:104 9.34 -7.00 C:105 11.85 -7.00 C:2004 22.81 -11.81 O 14.34 -9.72 O 9.51 -13.95 O 16.77 -9.77 O 20.45 -13.19 C:102 10.64 -9.07 C:5 11.91 -13.95 C:4 16.77 -13.95 C:101 11.91 -9.73 C:2001 19.17 -11.14 O 19.17 -13.91 O 9.51 -11.12 O 14.34 -13.95 C:103 10.64 -7.67 C:2003 21.61 -11.14 C:6 10.73 -13.23 C:3 17.99 -13.23 C:1 16.77 -11.14 C:2 17.99 -11.80 C:7 10.73 -11.80 C:8 11.91 -11.12 C:9 14.34 -11.12 C:10001 13.12 -13.23 C:4001 15.55 -13.23 C:9001 15.55 -11.80 C:8001 13.12 -11.80 C:2002 20.45 -11.80 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 27 2 8 21 1 9 23 1 10 32 1 11 14 1 11 19 2 12 21 1 12 28 2 13 22 2 13 29 1 14 26 1 15 24 1 15 32 1 16 22 1 17 25 1 18 28 1 18 29 1 20 32 1 21 25 2 22 24 1 23 24 2 23 30 1 25 26 1 26 31 2 27 30 1 27 31 1 28 31 1 29 30 2', '32 34 C 21.61 -9.73 C 19.17 -15.33 C 8.30 -11.80 C 9.34 -7.00 C 11.85 -7.00 C 22.81 -11.81 O 14.34 -9.72 O 9.51 -13.95 O 16.77 -9.77 O 20.45 -13.19 C 10.64 -9.07 C 11.91 -13.95 C 16.77 -13.95 C 11.91 -9.73 C 19.17 -11.14 O 19.17 -13.91 O 9.51 -11.12 O 14.34 -13.95 C 10.64 -7.67 C 21.61 -11.14 C 10.73 -13.23 C 17.99 -13.23 C 16.77 -11.14 C 17.99 -11.80 C 10.73 -11.80 C 11.91 -11.12 C 14.34 -11.12 C 13.12 -13.23 C 15.55 -13.23 C 15.55 -11.80 C 13.12 -11.80 C 20.45 -11.80 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 27 2 8 21 1 9 23 1 10 32 1 11 14 1 11 19 2 12 21 1 12 28 2 13 22 2 13 29 1 14 26 1 15 24 1 15 32 1 16 22 1 17 25 1 18 28 1 18 29 1 20 32 1 21 25 2 22 24 1 23 24 2 23 30 1 25 26 1 26 31 2 27 30 1 27 31 1 28 31 1 29 30 2', '32 34 C:113 21.61 -9.73 C:57 19.17 -15.33 C:61 8.30 -11.80 C:26 9.34 -7.00 C:17 11.85 -7.00 C:18 22.81 -11.81 O 14.34 -9.72 O 9.51 -13.95 O 16.77 -9.77 O 20.45 -13.19 C:125 10.64 -9.07 C:103 11.91 -13.95 C:90 16.77 -13.95 C:27 11.91 -9.73 C:25 19.17 -11.14 O 19.17 -13.91 O 9.51 -11.12 O 14.34 -13.95 C:132 10.64 -7.67 C:146 21.61 -11.14 C:158 10.73 -13.23 C:165 17.99 -13.23 C:161 16.77 -11.14 C:109 17.99 -11.80 C:145 10.73 -11.80 C:138 11.91 -11.12 C:183 14.34 -11.12 C:156 13.12 -13.23 C:157 15.55 -13.23 C:104 15.55 -11.80 C:112 13.12 -11.80 C:88 20.45 -11.80 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 27 2 8 21 1 9 23 1 10 32 1 11 14 1 11 19 2 12 21 1 12 28 2 13 22 2 13 29 1 14 26 1 15 24 1 15 32 1 16 22 1 17 25 1 18 28 1 18 29 1 20 32 1 21 25 2 22 24 1 23 24 2 23 30 1 25 26 1 26 31 2 27 30 1 27 31 1 28 31 1 29 30 2', 'C25H28O7', 440.263, 'A', 'ph60_541_10', 1953, '', '', '1', 35, NULL, NULL),
(7473, '', '(16E)-1,6-Dihydroxy-8-(3-hydroxy-3-methylbut-1-enyl)-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone-11', 'Aromatics', 'Xanthones', '', '[CH2:2005]=[C:2003]([CH3:2004])[CH:2002](O)[CH2:2001][c:2]3[c:3](O[CH3:3001])[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O[CH3:6001])[c:7](O[CH3:7001])[c:8]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'C=C(C)C(O)Cc3c(OC)cc2oc1cc(OC)c(OC)c(CC=C(C)C)c1c(=O)c2c3O', '[CH2:110]=[C:148]([CH3:18])[CH:76](O)[CH2:26][c:109]3[c:164](O[CH3:56])[cH:89][c:156]2o[c:156]1[cH:98][c:158](O[CH3:56])[c:144](O[CH3:61])[c:138]([CH2:29][CH:123]=[C:132]([CH3:18])[CH3:26])[c:112]1[c:182](=O)[c:104]2[c:161]3O', '33 35 C:2005 21.63 -9.72 C:3001 19.17 -15.38 C:6001 9.56 -15.38 C:7001 8.30 -11.83 C:105 11.92 -6.95 C:104 9.56 -6.95 C:2004 22.84 -11.85 O 14.34 -9.72 O 16.78 -9.72 O 20.41 -13.25 C:102 10.72 -9.04 C:4 16.78 -13.94 C:5 11.92 -13.99 C:101 11.92 -9.72 C:2001 19.17 -11.14 O 19.17 -13.99 O 9.56 -13.99 O 9.56 -11.14 O 14.34 -13.94 C:103 10.72 -7.63 C:2003 21.63 -11.14 C:3 17.99 -13.25 C:6 10.72 -13.25 C:1 16.78 -11.14 C:2 17.99 -11.83 C:7 10.72 -11.83 C:8 11.92 -11.14 C:9 14.34 -11.14 C:4001 15.57 -13.25 C:10001 13.13 -13.25 C:9001 15.57 -11.83 C:8001 13.13 -11.83 C:2002 20.41 -11.83 1 21 2 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 21 1 8 28 2 9 24 1 10 33 1 11 14 1 11 20 2 12 22 2 12 29 1 13 23 1 13 30 2 14 27 1 15 25 1 15 33 1 16 22 1 17 23 1 18 26 1 19 29 1 19 30 1 21 33 1 22 25 1 23 26 2 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 31 2 30 32 1', '33 35 C 21.63 -9.72 C 19.17 -15.38 C 9.56 -15.38 C 8.30 -11.83 C 11.92 -6.95 C 9.56 -6.95 C 22.84 -11.85 O 14.34 -9.72 O 16.78 -9.72 O 20.41 -13.25 C 10.72 -9.04 C 16.78 -13.94 C 11.92 -13.99 C 11.92 -9.72 C 19.17 -11.14 O 19.17 -13.99 O 9.56 -13.99 O 9.56 -11.14 O 14.34 -13.94 C 10.72 -7.63 C 21.63 -11.14 C 17.99 -13.25 C 10.72 -13.25 C 16.78 -11.14 C 17.99 -11.83 C 10.72 -11.83 C 11.92 -11.14 C 14.34 -11.14 C 15.57 -13.25 C 13.13 -13.25 C 15.57 -11.83 C 13.13 -11.83 C 20.41 -11.83 1 21 2 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 21 1 8 28 2 9 24 1 10 33 1 11 14 1 11 20 2 12 22 2 12 29 1 13 23 1 13 30 2 14 27 1 15 25 1 15 33 1 16 22 1 17 23 1 18 26 1 19 29 1 19 30 1 21 33 1 22 25 1 23 26 2 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 31 2 30 32 1', '33 35 C:110 21.63 -9.72 C:56 19.17 -15.38 C:56 9.56 -15.38 C:61 8.30 -11.83 C:18 11.92 -6.95 C:26 9.56 -6.95 C:18 22.84 -11.85 O 14.34 -9.72 O 16.78 -9.72 O 20.41 -13.25 C:123 10.72 -9.04 C:89 16.78 -13.94 C:98 11.92 -13.99 C:29 11.92 -9.72 C:26 19.17 -11.14 O 19.17 -13.99 O 9.56 -13.99 O 9.56 -11.14 O 14.34 -13.94 C:132 10.72 -7.63 C:148 21.63 -11.14 C:164 17.99 -13.25 C:158 10.72 -13.25 C:161 16.78 -11.14 C:109 17.99 -11.83 C:144 10.72 -11.83 C:138 11.92 -11.14 C:182 14.34 -11.14 C:156 15.57 -13.25 C:156 13.13 -13.25 C:104 15.57 -11.83 C:112 13.13 -11.83 C:76 20.41 -11.83 1 21 2 2 16 1 3 17 1 4 18 1 5 20 1 6 20 1 7 21 1 8 28 2 9 24 1 10 33 1 11 14 1 11 20 2 12 22 2 12 29 1 13 23 1 13 30 2 14 27 1 15 25 1 15 33 1 16 22 1 17 23 1 18 26 1 19 29 1 19 30 1 21 33 1 22 25 1 23 26 2 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 31 2 30 32 1', 'C26H30O7', 454.274, 'C', 'ph60_541_11', 1953, 'The structure is not correct in the paper', '', '1', 35, NULL, NULL),
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(7479, 'Lupinisoflavone B', '', 'Aromatics', 'Xanthones', '', '[CH2:2004]=[C:2003]([CH3:2005])[CH:2002]4[CH2:2001][c:2]3[c:3]([cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O[CH3:6001])[c:7](O[CH3:7001])[c:8]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:8001]1[c:9](=O)[c:9001]2[c:1]3O)O4', 'C=C(C)C4Cc3c(cc2oc1cc(OC)c(OC)c(CC=C(C)C)c1c(=O)c2c3O)O4', '[CH2:113]=[C:143]([CH3:17])[CH:88]4[CH2:31][c:107]3[c:164]([cH:88][c:157]2o[c:156]1[cH:98][c:158](O[CH3:56])[c:144](O[CH3:61])[c:137]([CH2:24][CH:123]=[C:132]([CH3:18])[CH3:26])[c:112]1[c:182](=O)[c:104]2[c:158]3O)O4', '31 34 C:2004 22.54 -11.28 C:6001 9.87 -15.35 C:7001 8.60 -11.75 C:105 12.06 -6.92 C:104 9.65 -6.98 C:2005 22.54 -13.71 O 14.61 -9.70 O 17.09 -9.70 C:102 10.91 -9.05 C:5 12.18 -13.88 C:4 17.09 -13.88 C:101 12.18 -9.70 C:2001 19.63 -11.36 O 9.87 -13.94 O 9.87 -11.07 O 19.63 -13.63 O 14.61 -13.88 C:103 10.91 -7.65 C:2003 21.85 -12.49 C:6 11.00 -13.20 C:3 18.29 -13.20 C:1 17.09 -11.09 C:2 18.29 -11.79 C:7 11.00 -11.75 C:8 12.18 -11.07 C:9 14.61 -11.07 C:4001 15.85 -13.20 C:10001 13.39 -13.20 C:9001 15.85 -11.75 C:8001 13.39 -11.75 C:2002 20.45 -12.49 1 19 2 2 14 1 3 15 1 4 18 1 5 18 1 6 19 1 7 26 2 8 22 1 9 12 1 9 18 2 10 20 1 10 28 2 11 21 2 11 27 1 12 25 1 13 23 1 13 31 1 14 20 1 15 24 1 16 21 1 16 31 1 17 27 1 17 28 1 19 31 1 20 24 2 21 23 1 22 23 2 22 29 1 24 25 1 25 30 2 26 29 1 26 30 1 27 29 2 28 30 1', '31 34 C 22.54 -11.28 C 9.87 -15.35 C 8.60 -11.75 C 12.06 -6.92 C 9.65 -6.98 C 22.54 -13.71 O 14.61 -9.70 O 17.09 -9.70 C 10.91 -9.05 C 12.18 -13.88 C 17.09 -13.88 C 12.18 -9.70 C 19.63 -11.36 O 9.87 -13.94 O 9.87 -11.07 O 19.63 -13.63 O 14.61 -13.88 C 10.91 -7.65 C 21.85 -12.49 C 11.00 -13.20 C 18.29 -13.20 C 17.09 -11.09 C 18.29 -11.79 C 11.00 -11.75 C 12.18 -11.07 C 14.61 -11.07 C 15.85 -13.20 C 13.39 -13.20 C 15.85 -11.75 C 13.39 -11.75 C 20.45 -12.49 1 19 2 2 14 1 3 15 1 4 18 1 5 18 1 6 19 1 7 26 2 8 22 1 9 12 1 9 18 2 10 20 1 10 28 2 11 21 2 11 27 1 12 25 1 13 23 1 13 31 1 14 20 1 15 24 1 16 21 1 16 31 1 17 27 1 17 28 1 19 31 1 20 24 2 21 23 1 22 23 2 22 29 1 24 25 1 25 30 2 26 29 1 26 30 1 27 29 2 28 30 1', '31 34 C:113 22.54 -11.28 C:56 9.87 -15.35 C:61 8.60 -11.75 C:18 12.06 -6.92 C:26 9.65 -6.98 C:17 22.54 -13.71 O 14.61 -9.70 O 17.09 -9.70 C:123 10.91 -9.05 C:98 12.18 -13.88 C:88 17.09 -13.88 C:24 12.18 -9.70 C:31 19.63 -11.36 O 9.87 -13.94 O 9.87 -11.07 O 19.63 -13.63 O 14.61 -13.88 C:132 10.91 -7.65 C:143 21.85 -12.49 C:158 11.00 -13.20 C:164 18.29 -13.20 C:158 17.09 -11.09 C:107 18.29 -11.79 C:144 11.00 -11.75 C:137 12.18 -11.07 C:182 14.61 -11.07 C:157 15.85 -13.20 C:156 13.39 -13.20 C:104 15.85 -11.75 C:112 13.39 -11.75 C:88 20.45 -12.49 1 19 2 2 14 1 3 15 1 4 18 1 5 18 1 6 19 1 7 26 2 8 22 1 9 12 1 9 18 2 10 20 1 10 28 2 11 21 2 11 27 1 12 25 1 13 23 1 13 31 1 14 20 1 15 24 1 16 21 1 16 31 1 17 27 1 17 28 1 19 31 1 20 24 2 21 23 1 22 23 2 22 29 1 24 25 1 25 30 2 26 29 1 26 30 1 27 29 2 28 30 1', 'C25H26O6', 422.264, 'C', 'ph60_541_17', 1953, 'The structure is not correct in the paper', '', '1', 35, NULL, NULL),
(7480, '', '1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-8-(2-oxo-3-methylbut-3-enyl)-xanthone ', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2005])[CH3:2004])[c:3](O[CH3:3001])[cH:4][c:4001]1o[c:10001]2[cH:5][c:6]3O', 'COc3cc2c(=O)c1c(O)c(CC=C(C)C)c(OC)cc1oc2cc3O', '[CH3:57]O[c:144]3[cH:105][c:114]2[c:180](=O)[c:103]1[c:159](O)[c:112]([CH2:21][CH:122]=[C:132]([CH3:18])[CH3:26])[c:164](O[CH3:56])[cH:90][c:153]1o[c:152]2[cH:103][c:156]3O', '26 28 C:7001 8.29 -10.41 C:3001 19.14 -13.96 C:2005 21.63 -8.33 C:2004 22.84 -10.43 O 14.33 -8.31 O 9.52 -12.57 O 16.76 -8.32 C:2002 20.41 -10.43 C:5 11.90 -12.52 C:4 16.76 -12.52 C:8 11.90 -9.72 C:2001 19.19 -9.73 O 9.52 -9.72 O 19.14 -12.56 O 14.33 -12.52 C:2003 21.63 -9.73 C:6 10.71 -11.84 C:1 16.76 -9.72 C:7 10.71 -10.43 C:3 17.97 -11.84 C:2 17.97 -10.43 C:9 14.33 -9.72 C:10001 13.12 -11.84 C:4001 15.56 -11.84 C:8001 13.12 -10.43 C:9001 15.56 -10.43 1 13 1 2 14 1 3 16 1 4 16 1 5 22 2 6 17 1 7 18 1 8 12 1 8 16 2 9 17 1 9 23 2 10 20 2 10 24 1 11 19 1 11 25 2 12 21 1 13 19 1 14 20 1 15 23 1 15 24 1 17 19 2 18 21 2 18 26 1 20 21 1 22 25 1 22 26 1 23 25 1 24 26 2', '26 28 C 8.29 -10.41 C 19.14 -13.96 C 21.63 -8.33 C 22.84 -10.43 O 14.33 -8.31 O 9.52 -12.57 O 16.76 -8.32 C 20.41 -10.43 C 11.90 -12.52 C 16.76 -12.52 C 11.90 -9.72 C 19.19 -9.73 O 9.52 -9.72 O 19.14 -12.56 O 14.33 -12.52 C 21.63 -9.73 C 10.71 -11.84 C 16.76 -9.72 C 10.71 -10.43 C 17.97 -11.84 C 17.97 -10.43 C 14.33 -9.72 C 13.12 -11.84 C 15.56 -11.84 C 13.12 -10.43 C 15.56 -10.43 1 13 1 2 14 1 3 16 1 4 16 1 5 22 2 6 17 1 7 18 1 8 12 1 8 16 2 9 17 1 9 23 2 10 20 2 10 24 1 11 19 1 11 25 2 12 21 1 13 19 1 14 20 1 15 23 1 15 24 1 17 19 2 18 21 2 18 26 1 20 21 1 22 25 1 22 26 1 23 25 1 24 26 2', '26 28 C:57 8.29 -10.41 C:56 19.14 -13.96 C:18 21.63 -8.33 C:26 22.84 -10.43 O 14.33 -8.31 O 9.52 -12.57 O 16.76 -8.32 C:122 20.41 -10.43 C:103 11.90 -12.52 C:90 16.76 -12.52 C:105 11.90 -9.72 C:21 19.19 -9.73 O 9.52 -9.72 O 19.14 -12.56 O 14.33 -12.52 C:132 21.63 -9.73 C:156 10.71 -11.84 C:159 16.76 -9.72 C:144 10.71 -10.43 C:164 17.97 -11.84 C:112 17.97 -10.43 C:180 14.33 -9.72 C:152 13.12 -11.84 C:153 15.56 -11.84 C:114 13.12 -10.43 C:103 15.56 -10.43 1 13 1 2 14 1 3 16 1 4 16 1 5 22 2 6 17 1 7 18 1 8 12 1 8 16 2 9 17 1 9 23 2 10 20 2 10 24 1 11 19 1 11 25 2 12 21 1 13 19 1 14 20 1 15 23 1 15 24 1 17 19 2 18 21 2 18 26 1 20 21 1 22 25 1 22 26 1 23 25 1 24 26 2', 'C20H20O6', 356.21, 'C', 'ph60_541_21', 1953, 'The structure is not correct in the paper', '', '1', 35, 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
(7481, '', '1-Hydroxy-3,6,7-trimethoxy-2-(3-methylbut-2-enyl)-8-(2-oxo-3-methylbut-3-enyl)-xanthone', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]3[cH:5][c:10001]2o[c:4001]1[cH:4][c:3](O[CH3:3001])[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2005])[CH3:2004])[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[cH:8][c:7]3O[CH3:7001]', 'COc3cc2oc1cc(OC)c(CC=C(C)C)c(O)c1c(=O)c2cc3OC', '[CH3:57]O[c:156]3[cH:99][c:152]2o[c:155]1[cH:90][c:164](O[CH3:56])[c:112]([CH2:21][CH:122]=[C:132]([CH3:18])[CH3:26])[c:159](O)[c:104]1[c:180](=O)[c:114]2[cH:105][c:147]3O[CH3:56]', '27 29 C:6001 9.59 -13.99 C:7001 8.30 -10.44 C:3001 19.17 -13.98 C:2005 21.67 -8.34 C:2004 22.88 -10.46 O 14.36 -8.32 O 16.79 -8.33 C:2002 20.45 -10.46 C:5 11.92 -12.54 C:4 16.79 -12.54 C:8 11.92 -9.75 C:2001 19.22 -9.76 O 9.59 -12.59 O 9.59 -9.75 O 19.17 -12.58 O 14.36 -12.54 C:2003 21.67 -9.76 C:1 16.79 -9.75 C:6 10.74 -11.86 C:7 10.74 -10.46 C:3 18.00 -11.86 C:2 18.00 -10.46 C:9 14.36 -9.75 C:10001 13.14 -11.86 C:4001 15.59 -11.86 C:8001 13.14 -10.46 C:9001 15.59 -10.46 1 13 1 2 14 1 3 15 1 4 17 1 5 17 1 6 23 2 7 18 1 8 12 1 8 17 2 9 19 1 9 24 2 10 21 2 10 25 1 11 20 1 11 26 2 12 22 1 13 19 1 14 20 1 15 21 1 16 24 1 16 25 1 18 22 2 18 27 1 19 20 2 21 22 1 23 26 1 23 27 1 24 26 1 25 27 2', '27 29 C 9.59 -13.99 C 8.30 -10.44 C 19.17 -13.98 C 21.67 -8.34 C 22.88 -10.46 O 14.36 -8.32 O 16.79 -8.33 C 20.45 -10.46 C 11.92 -12.54 C 16.79 -12.54 C 11.92 -9.75 C 19.22 -9.76 O 9.59 -12.59 O 9.59 -9.75 O 19.17 -12.58 O 14.36 -12.54 C 21.67 -9.76 C 16.79 -9.75 C 10.74 -11.86 C 10.74 -10.46 C 18.00 -11.86 C 18.00 -10.46 C 14.36 -9.75 C 13.14 -11.86 C 15.59 -11.86 C 13.14 -10.46 C 15.59 -10.46 1 13 1 2 14 1 3 15 1 4 17 1 5 17 1 6 23 2 7 18 1 8 12 1 8 17 2 9 19 1 9 24 2 10 21 2 10 25 1 11 20 1 11 26 2 12 22 1 13 19 1 14 20 1 15 21 1 16 24 1 16 25 1 18 22 2 18 27 1 19 20 2 21 22 1 23 26 1 23 27 1 24 26 1 25 27 2', '27 29 C:57 9.59 -13.99 C:56 8.30 -10.44 C:56 19.17 -13.98 C:18 21.67 -8.34 C:26 22.88 -10.46 O 14.36 -8.32 O 16.79 -8.33 C:122 20.45 -10.46 C:99 11.92 -12.54 C:90 16.79 -12.54 C:105 11.92 -9.75 C:21 19.22 -9.76 O 9.59 -12.59 O 9.59 -9.75 O 19.17 -12.58 O 14.36 -12.54 C:132 21.67 -9.76 C:159 16.79 -9.75 C:156 10.74 -11.86 C:147 10.74 -10.46 C:164 18.00 -11.86 C:112 18.00 -10.46 C:180 14.36 -9.75 C:152 13.14 -11.86 C:155 15.59 -11.86 C:114 13.14 -10.46 C:104 15.59 -10.46 1 13 1 2 14 1 3 15 1 4 17 1 5 17 1 6 23 2 7 18 1 8 12 1 8 17 2 9 19 1 9 24 2 10 21 2 10 25 1 11 20 1 11 26 2 12 22 1 13 19 1 14 20 1 15 21 1 16 24 1 16 25 1 18 22 2 18 27 1 19 20 2 21 22 1 23 26 1 23 27 1 24 26 1 25 27 2', 'C21H22O6', 370.221, 'C', 'ph60_541_22', 1953, 'The structure is not correct in the paper', '', '1', 35, NULL, NULL),
(7482, '', '(R)-(+)-6-(2''-hidroxy-3''-methyl-3''-butenyl)-7-methoxycoumarin', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[C:102](=O)[CH2:101][c:8]2[c:7](O[CH3:7001])[c:6](O)[cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O[CH3:3001])[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2005])[CH3:2004])[c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'C=C(C)C(=O)Cc2c(OC)c(O)cc3oc1cc(OC)c(CC=C(C)C)c(O)c1c(=O)c23', '[CH2:124]=[C:145]([CH3:18])[C:200](=O)[CH2:37][c:130]2[c:144](O[CH3:62])[c:155](O)[cH:103][c:155]3o[c:155]1[cH:89][c:164](O[CH3:56])[c:112]([CH2:21][CH:122]=[C:132]([CH3:18])[CH3:26])[c:160](O)[c:104]1[c:181](=O)[c:112]23', '32 34 C:104 9.34 -6.97 C:3001 19.12 -15.34 C:7001 8.25 -11.80 C:2005 21.63 -9.70 C:2004 22.84 -11.82 C:105 11.77 -6.91 O 9.42 -9.78 O 14.32 -9.67 O 9.55 -13.95 O 16.74 -9.70 C:2002 20.40 -11.80 C:5 11.89 -13.90 C:4 16.74 -13.90 C:2001 19.17 -11.11 C:101 11.89 -9.70 O 19.12 -13.95 O 9.55 -11.11 O 14.32 -13.90 C:2003 21.63 -11.11 C:103 10.61 -7.64 C:102 10.61 -9.04 C:6 10.70 -13.22 C:3 17.95 -13.22 C:1 16.74 -11.11 C:2 17.95 -11.80 C:7 10.70 -11.80 C:8 11.89 -11.11 C:9 14.32 -11.11 C:10001 13.10 -13.22 C:4001 15.55 -13.22 C:9001 15.55 -11.80 C:8001 13.10 -11.80 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 21 2 8 28 2 9 22 1 10 24 1 11 14 1 11 19 2 12 22 1 12 29 2 13 23 2 13 30 1 14 25 1 15 21 1 15 27 1 16 23 1 17 26 1 18 29 1 18 30 1 20 21 1 22 26 2 23 25 1 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 32 1 30 31 2', '32 34 C 9.34 -6.97 C 19.12 -15.34 C 8.25 -11.80 C 21.63 -9.70 C 22.84 -11.82 C 11.77 -6.91 O 9.42 -9.78 O 14.32 -9.67 O 9.55 -13.95 O 16.74 -9.70 C 20.40 -11.80 C 11.89 -13.90 C 16.74 -13.90 C 19.17 -11.11 C 11.89 -9.70 O 19.12 -13.95 O 9.55 -11.11 O 14.32 -13.90 C 21.63 -11.11 C 10.61 -7.64 C 10.61 -9.04 C 10.70 -13.22 C 17.95 -13.22 C 16.74 -11.11 C 17.95 -11.80 C 10.70 -11.80 C 11.89 -11.11 C 14.32 -11.11 C 13.10 -13.22 C 15.55 -13.22 C 15.55 -11.80 C 13.10 -11.80 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 21 2 8 28 2 9 22 1 10 24 1 11 14 1 11 19 2 12 22 1 12 29 2 13 23 2 13 30 1 14 25 1 15 21 1 15 27 1 16 23 1 17 26 1 18 29 1 18 30 1 20 21 1 22 26 2 23 25 1 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 32 1 30 31 2', '32 34 C:124 9.34 -6.97 C:56 19.12 -15.34 C:62 8.25 -11.80 C:18 21.63 -9.70 C:26 22.84 -11.82 C:18 11.77 -6.91 O 9.42 -9.78 O 14.32 -9.67 O 9.55 -13.95 O 16.74 -9.70 C:122 20.40 -11.80 C:103 11.89 -13.90 C:89 16.74 -13.90 C:21 19.17 -11.11 C:37 11.89 -9.70 O 19.12 -13.95 O 9.55 -11.11 O 14.32 -13.90 C:132 21.63 -11.11 C:145 10.61 -7.64 C:200 10.61 -9.04 C:155 10.70 -13.22 C:164 17.95 -13.22 C:160 16.74 -11.11 C:112 17.95 -11.80 C:144 10.70 -11.80 C:130 11.89 -11.11 C:181 14.32 -11.11 C:155 13.10 -13.22 C:155 15.55 -13.22 C:104 15.55 -11.80 C:112 13.10 -11.80 1 20 2 2 16 1 3 17 1 4 19 1 5 19 1 6 20 1 7 21 2 8 28 2 9 22 1 10 24 1 11 14 1 11 19 2 12 22 1 12 29 2 13 23 2 13 30 1 14 25 1 15 21 1 15 27 1 16 23 1 17 26 1 18 29 1 18 30 1 20 21 1 22 26 2 23 25 1 24 25 2 24 31 1 26 27 1 27 32 2 28 31 1 28 32 1 29 32 1 30 31 2', 'C25H26O7', 438.263, 'C', 'ph60_541_23', 1953, 'The structure is not correct in the paper', '', '1', 35, 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
(7497, 'Cochinchinone D', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[C:7]35[CH:8]=[C:8001]2[C:9](=O)[c:9001]1[c:1](O)[cH:2][c:3](O)[cH:4][c:4001]1O[C:10001]24[CH:102]([CH2:101]3)[C:103]([CH3:105])([CH3:104])O[C:5]4([CH2:5001][CH:5002]=[C:5003]([CH3:5005])[CH3:5004])[C:6]5=O', 'COC35C=C2C(=O)c1c(O)cc(O)cc1OC24C(C3)C(C)(C)OC4(CC=C(C)C)C5=O', '[CH3:54]O[C:85]35[CH:133]=[C:132]2[C:178](=O)[c:101]1[c:161](O)[cH:95][c:168](O)[cH:97][c:165]1O[C:89]24[CH:49]([CH2:30]3)[C:84]([CH3:29])([CH3:30])O[C:84]4([CH2:29][CH:118]=[C:136]([CH3:17])[CH3:25])[C:201]5=O', '31 35 C:7001 11.21 -6.69 C:5005 15.62 -14.48 C:5004 13.50 -15.69 C:105 10.93 -13.16 C:104 10.40 -11.40 O 15.95 -6.67 O 11.41 -10.68 O 20.78 -10.89 O 18.38 -6.65 C:5002 13.50 -13.26 C:8 13.55 -8.05 C:2 19.58 -8.75 C:4 18.38 -10.84 C:5001 14.21 -12.05 C:101 13.65 -9.12 O 11.21 -8.07 O 15.95 -10.84 O 12.97 -12.11 C:5003 14.21 -14.48 C:9 15.95 -8.05 C:6 12.39 -10.16 C:8001 14.76 -8.75 C:3 19.58 -10.16 C:1 18.38 -8.05 C:4001 17.19 -10.16 C:9001 17.19 -8.75 C:102 13.41 -10.07 C:103 11.64 -11.96 C:7 12.39 -8.75 C:5 13.55 -10.84 C:10001 14.76 -10.16 1 16 1 2 19 1 3 19 1 4 28 1 5 28 1 6 20 2 7 21 2 8 23 1 9 24 1 10 14 1 10 19 2 11 22 2 11 29 1 12 23 1 12 24 2 13 23 2 13 25 1 14 30 1 15 27 1 15 29 1 16 29 1 17 25 1 17 31 1 18 28 1 18 30 1 20 22 1 20 26 1 21 29 1 21 30 1 22 31 1 24 26 1 25 26 2 27 28 1 27 31 1 30 31 1', '31 35 C 11.21 -6.69 C 15.62 -14.48 C 13.50 -15.69 C 10.93 -13.16 C 10.40 -11.40 O 15.95 -6.67 O 11.41 -10.68 O 20.78 -10.89 O 18.38 -6.65 C 13.50 -13.26 C 13.55 -8.05 C 19.58 -8.75 C 18.38 -10.84 C 14.21 -12.05 C 13.65 -9.12 O 11.21 -8.07 O 15.95 -10.84 O 12.97 -12.11 C 14.21 -14.48 C 15.95 -8.05 C 12.39 -10.16 C 14.76 -8.75 C 19.58 -10.16 C 18.38 -8.05 C 17.19 -10.16 C 17.19 -8.75 C 13.41 -10.07 C 11.64 -11.96 C 12.39 -8.75 C 13.55 -10.84 C 14.76 -10.16 1 16 1 2 19 1 3 19 1 4 28 1 5 28 1 6 20 2 7 21 2 8 23 1 9 24 1 10 14 1 10 19 2 11 22 2 11 29 1 12 23 1 12 24 2 13 23 2 13 25 1 14 30 1 15 27 1 15 29 1 16 29 1 17 25 1 17 31 1 18 28 1 18 30 1 20 22 1 20 26 1 21 29 1 21 30 1 22 31 1 24 26 1 25 26 2 27 28 1 27 31 1 30 31 1', '31 35 C:54 11.21 -6.69 C:17 15.62 -14.48 C:25 13.50 -15.69 C:29 10.93 -13.16 C:30 10.40 -11.40 O 15.95 -6.67 O 11.41 -10.68 O 20.78 -10.89 O 18.38 -6.65 C:118 13.50 -13.26 C:133 13.55 -8.05 C:95 19.58 -8.75 C:97 18.38 -10.84 C:29 14.21 -12.05 C:30 13.65 -9.12 O 11.21 -8.07 O 15.95 -10.84 O 12.97 -12.11 C:136 14.21 -14.48 C:178 15.95 -8.05 C:201 12.39 -10.16 C:132 14.76 -8.75 C:168 19.58 -10.16 C:161 18.38 -8.05 C:165 17.19 -10.16 C:101 17.19 -8.75 C:49 13.41 -10.07 C:84 11.64 -11.96 C:85 12.39 -8.75 C:84 13.55 -10.84 C:89 14.76 -10.16 1 16 1 2 19 1 3 19 1 4 28 1 5 28 1 6 20 2 7 21 2 8 23 1 9 24 1 10 14 1 10 19 2 11 22 2 11 29 1 12 23 1 12 24 2 13 23 2 13 25 1 14 30 1 15 27 1 15 29 1 16 29 1 17 25 1 17 31 1 18 28 1 18 30 1 20 22 1 20 26 1 21 29 1 21 30 1 22 31 1 24 26 1 25 26 2 27 28 1 27 31 1 30 31 1', 'C24H26O7', 426.253, '', 'ph67_470_4', 1410, '', '', '1', 35, NULL, NULL),
(7498, 'Formoxanthone A', '', 'Aromatics', 'Xanthones', '', '[CH3:110][C:107]([CH3:108])=[CH:106][CH2:105][CH2:104][C:103]([CH3:109])=[CH:102][CH2:101][c:2]3[c:3](O)[c:4]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:4001]2o[c:10001]1[c:5](O)[cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'CC(C)=CCCC(C)=CCc3c(O)c(CC=C(C)C)c2oc1c(O)cccc1c(=O)c2c3O', '[CH3:18][C:132]([CH3:26])=[CH:124][CH2:26][CH2:40][C:140]([CH3:16])=[CH:121][CH2:22][c:109]3[c:161](O)[c:106]([CH2:22][CH:122]=[C:133]([CH3:18])[CH3:26])[c:153]2o[c:144]1[c:145](O)[cH:120][cH:124][cH:117][c:121]1[c:181](=O)[c:103]2[c:159]3O', '33 35 C:110 22.86 -6.94 C:108 24.07 -9.03 C:205 13.23 -15.39 C:204 15.67 -15.36 C:109 18.00 -6.97 O 10.74 -6.99 O 8.27 -12.60 O 15.58 -11.21 O 13.23 -7.00 C:106 21.65 -9.05 C:202 14.44 -13.28 C:102 16.79 -9.08 C:7 7.11 -9.10 C:6 7.11 -10.52 C:8 8.27 -8.40 C:105 20.43 -8.35 C:101 15.58 -8.39 C:201 13.23 -12.60 C:104 19.21 -9.06 O 10.74 -11.20 C:107 22.86 -8.34 C:203 14.44 -14.68 C:103 18.00 -8.37 C:5 8.27 -11.20 C:3 14.37 -10.52 C:1 13.23 -8.40 C:2 14.37 -9.10 C:4 13.23 -11.20 C:9 10.74 -8.40 C:8001 9.52 -9.10 C:10001 9.52 -10.52 C:4001 11.97 -10.52 C:9001 11.97 -9.10 1 21 1 2 21 1 3 22 1 4 22 1 5 23 1 6 29 2 7 24 1 8 25 1 9 26 1 10 16 1 10 21 2 11 18 1 11 22 2 12 17 1 12 23 2 13 14 2 13 15 1 14 24 1 15 30 2 16 19 1 17 27 1 18 28 1 19 23 1 20 31 1 20 32 1 24 31 2 25 27 1 25 28 2 26 27 2 26 33 1 28 32 1 29 30 1 29 33 1 30 31 1 32 33 2', '33 35 C 22.86 -6.94 C 24.07 -9.03 C 13.23 -15.39 C 15.67 -15.36 C 18.00 -6.97 O 10.74 -6.99 O 8.27 -12.60 O 15.58 -11.21 O 13.23 -7.00 C 21.65 -9.05 C 14.44 -13.28 C 16.79 -9.08 C 7.11 -9.10 C 7.11 -10.52 C 8.27 -8.40 C 20.43 -8.35 C 15.58 -8.39 C 13.23 -12.60 C 19.21 -9.06 O 10.74 -11.20 C 22.86 -8.34 C 14.44 -14.68 C 18.00 -8.37 C 8.27 -11.20 C 14.37 -10.52 C 13.23 -8.40 C 14.37 -9.10 C 13.23 -11.20 C 10.74 -8.40 C 9.52 -9.10 C 9.52 -10.52 C 11.97 -10.52 C 11.97 -9.10 1 21 1 2 21 1 3 22 1 4 22 1 5 23 1 6 29 2 7 24 1 8 25 1 9 26 1 10 16 1 10 21 2 11 18 1 11 22 2 12 17 1 12 23 2 13 14 2 13 15 1 14 24 1 15 30 2 16 19 1 17 27 1 18 28 1 19 23 1 20 31 1 20 32 1 24 31 2 25 27 1 25 28 2 26 27 2 26 33 1 28 32 1 29 30 1 29 33 1 30 31 1 32 33 2', '33 35 C:18 22.86 -6.94 C:26 24.07 -9.03 C:18 13.23 -15.39 C:26 15.67 -15.36 C:16 18.00 -6.97 O 10.74 -6.99 O 8.27 -12.60 O 15.58 -11.21 O 13.23 -7.00 C:124 21.65 -9.05 C:122 14.44 -13.28 C:121 16.79 -9.08 C:124 7.11 -9.10 C:120 7.11 -10.52 C:117 8.27 -8.40 C:26 20.43 -8.35 C:22 15.58 -8.39 C:22 13.23 -12.60 C:40 19.21 -9.06 O 10.74 -11.20 C:132 22.86 -8.34 C:133 14.44 -14.68 C:140 18.00 -8.37 C:145 8.27 -11.20 C:161 14.37 -10.52 C:159 13.23 -8.40 C:109 14.37 -9.10 C:106 13.23 -11.20 C:181 10.74 -8.40 C:121 9.52 -9.10 C:144 9.52 -10.52 C:153 11.97 -10.52 C:103 11.97 -9.10 1 21 1 2 21 1 3 22 1 4 22 1 5 23 1 6 29 2 7 24 1 8 25 1 9 26 1 10 16 1 10 21 2 11 18 1 11 22 2 12 17 1 12 23 2 13 14 2 13 15 1 14 24 1 15 30 2 16 19 1 17 27 1 18 28 1 19 23 1 20 31 1 20 32 1 24 31 2 25 27 1 25 28 2 26 27 2 26 33 1 28 32 1 29 30 1 29 33 1 30 31 1 32 33 2', 'C28H32O5', 448.297, 'C', 'ph67_723_1', 238, '', '', '1', 35, NULL, NULL),
(7499, 'Formoxanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:110][C:107]([CH3:108])=[CH:106][CH2:105][CH2:104][C:103]([CH3:109])=[CH:102][CH2:101][c:2]4[c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]2[c:4]3[CH:204]=[CH:205][C:206]([CH3:207])([CH3:208])O[c:3]34', 'CC(C)=CCCC(C)=CCc4c(O)c2c(=O)c1cccc(O)c1oc2c3C=CC(C)(C)Oc34', '[CH3:18][C:131]([CH3:26])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:122][CH2:21][c:112]4[c:159](O)[c:103]2[c:181](=O)[c:121]1[cH:117][cH:124][cH:120][c:144](O)[c:144]1o[c:149]2[c:101]3[CH:115]=[CH:127][C:78]([CH3:28])([CH3:28])O[c:161]34', '33 36 C:110 22.83 -7.76 C:108 24.04 -9.86 C:109 17.98 -7.75 C:207 16.26 -14.58 C:208 16.95 -13.35 O 10.70 -7.75 O 8.22 -13.35 O 13.14 -7.76 C:204 13.14 -13.35 C:205 14.34 -14.06 C:106 21.61 -9.86 C:102 16.76 -9.86 C:7 7.07 -9.86 C:6 7.07 -11.26 C:8 8.22 -9.16 C:105 20.40 -9.16 C:101 15.56 -9.16 C:104 19.19 -9.86 O 15.56 -11.95 O 10.70 -11.95 C:107 22.83 -9.16 C:103 17.98 -9.16 C:5 8.22 -11.95 C:1 13.14 -9.16 C:4 13.14 -11.95 C:2 14.34 -9.86 C:3 14.34 -11.26 C:9 10.70 -9.16 C:8001 9.47 -9.86 C:10001 9.47 -11.26 C:4001 11.93 -11.26 C:9001 11.93 -9.86 C:206 15.56 -13.35 1 21 1 2 21 1 3 22 1 4 33 1 5 33 1 6 28 2 7 23 1 8 24 1 9 10 2 9 25 1 10 33 1 11 16 1 11 21 2 12 17 1 12 22 2 13 14 2 13 15 1 14 23 1 15 29 2 16 18 1 17 26 1 18 22 1 19 27 1 19 33 1 20 30 1 20 31 1 23 30 2 24 26 2 24 32 1 25 27 2 25 31 1 26 27 1 28 29 1 28 32 1 29 30 1 31 32 2', '33 36 C 22.83 -7.76 C 24.04 -9.86 C 17.98 -7.75 C 16.26 -14.58 C 16.95 -13.35 O 10.70 -7.75 O 8.22 -13.35 O 13.14 -7.76 C 13.14 -13.35 C 14.34 -14.06 C 21.61 -9.86 C 16.76 -9.86 C 7.07 -9.86 C 7.07 -11.26 C 8.22 -9.16 C 20.40 -9.16 C 15.56 -9.16 C 19.19 -9.86 O 15.56 -11.95 O 10.70 -11.95 C 22.83 -9.16 C 17.98 -9.16 C 8.22 -11.95 C 13.14 -9.16 C 13.14 -11.95 C 14.34 -9.86 C 14.34 -11.26 C 10.70 -9.16 C 9.47 -9.86 C 9.47 -11.26 C 11.93 -11.26 C 11.93 -9.86 C 15.56 -13.35 1 21 1 2 21 1 3 22 1 4 33 1 5 33 1 6 28 2 7 23 1 8 24 1 9 10 2 9 25 1 10 33 1 11 16 1 11 21 2 12 17 1 12 22 2 13 14 2 13 15 1 14 23 1 15 29 2 16 18 1 17 26 1 18 22 1 19 27 1 19 33 1 20 30 1 20 31 1 23 30 2 24 26 2 24 32 1 25 27 2 25 31 1 26 27 1 28 29 1 28 32 1 29 30 1 31 32 2', '33 36 C:18 22.83 -7.76 C:26 24.04 -9.86 C:16 17.98 -7.75 C:28 16.26 -14.58 C:28 16.95 -13.35 O 10.70 -7.75 O 8.22 -13.35 O 13.14 -7.76 C:115 13.14 -13.35 C:127 14.34 -14.06 C:124 21.61 -9.86 C:122 16.76 -9.86 C:124 7.07 -9.86 C:120 7.07 -11.26 C:117 8.22 -9.16 C:27 20.40 -9.16 C:21 15.56 -9.16 C:40 19.19 -9.86 O 15.56 -11.95 O 10.70 -11.95 C:131 22.83 -9.16 C:135 17.98 -9.16 C:144 8.22 -11.95 C:159 13.14 -9.16 C:101 13.14 -11.95 C:112 14.34 -9.86 C:161 14.34 -11.26 C:181 10.70 -9.16 C:121 9.47 -9.86 C:144 9.47 -11.26 C:149 11.93 -11.26 C:103 11.93 -9.86 C:78 15.56 -13.35 1 21 1 2 21 1 3 22 1 4 33 1 5 33 1 6 28 2 7 23 1 8 24 1 9 10 2 9 25 1 10 33 1 11 16 1 11 21 2 12 17 1 12 22 2 13 14 2 13 15 1 14 23 1 15 29 2 16 18 1 17 26 1 18 22 1 19 27 1 19 33 1 20 30 1 20 31 1 23 30 2 24 26 2 24 32 1 25 27 2 25 31 1 26 27 1 28 29 1 28 32 1 29 30 1 31 32 2', 'C28H30O5', 446.297, 'C', 'ph67_723_2', 238, '', '', '1', 35, NULL, NULL),
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(7506, 'Laurentixanthone A', '', 'Aromatics', 'Xanthones', '', '[CH3:5005][C:5003]([CH3:5004])=[CH:5002][CH2:5001][c:5]3[cH:6][cH:7][cH:8][c:8001]4[c:9](=O)[c:9001]2[c:1](O)[cH:2][c:3]1O[C:103]([CH3:105])([CH3:104])[CH:102]=[CH:101][c:4]1[c:4001]2o[c:10001]34', 'CC(C)=CCc3cccc4c(=O)c2c(O)cc1OC(C)(C)C=Cc1c2oc34', '[CH3:19][C:134]([CH3:26])=[CH:125][CH2:23][c:108]3[cH:122][cH:125][cH:117][c:122]4[c:182](=O)[c:104]2[c:164](O)[cH:100][c:162]1O[C:79]([CH3:28])([CH3:28])[CH:128]=[CH:116][c:102]1[c:152]2o[c:147]34', '27 30 C:5005 12.44 -15.30 C:5004 10.02 -15.30 C:105 20.13 -13.94 C:104 21.15 -12.24 O 14.93 -6.96 O 17.38 -6.96 C:101 17.38 -12.54 C:102 18.57 -13.22 C:5002 11.24 -13.22 C:7 11.24 -9.06 C:6 11.24 -10.47 C:8 12.44 -8.35 C:2 18.57 -9.06 C:5001 12.44 -12.54 O 19.79 -11.14 O 14.93 -11.14 C:5003 11.24 -14.62 C:1 17.38 -8.35 C:5 12.44 -11.14 C:3 18.57 -10.47 C:4 17.38 -11.14 C:9 14.93 -8.35 C:8001 13.72 -9.06 C:10001 13.72 -10.47 C:4001 16.17 -10.47 C:9001 16.17 -9.06 C:103 19.79 -12.54 1 17 1 2 17 1 3 27 1 4 27 1 5 22 2 6 18 1 7 8 2 7 21 1 8 27 1 9 14 1 9 17 2 10 11 2 10 12 1 11 19 1 12 23 2 13 18 2 13 20 1 14 19 1 15 20 1 15 27 1 16 24 1 16 25 1 18 26 1 19 24 2 20 21 2 21 25 1 22 23 1 22 26 1 23 24 1 25 26 2', '27 30 C 12.44 -15.30 C 10.02 -15.30 C 20.13 -13.94 C 21.15 -12.24 O 14.93 -6.96 O 17.38 -6.96 C 17.38 -12.54 C 18.57 -13.22 C 11.24 -13.22 C 11.24 -9.06 C 11.24 -10.47 C 12.44 -8.35 C 18.57 -9.06 C 12.44 -12.54 O 19.79 -11.14 O 14.93 -11.14 C 11.24 -14.62 C 17.38 -8.35 C 12.44 -11.14 C 18.57 -10.47 C 17.38 -11.14 C 14.93 -8.35 C 13.72 -9.06 C 13.72 -10.47 C 16.17 -10.47 C 16.17 -9.06 C 19.79 -12.54 1 17 1 2 17 1 3 27 1 4 27 1 5 22 2 6 18 1 7 8 2 7 21 1 8 27 1 9 14 1 9 17 2 10 11 2 10 12 1 11 19 1 12 23 2 13 18 2 13 20 1 14 19 1 15 20 1 15 27 1 16 24 1 16 25 1 18 26 1 19 24 2 20 21 2 21 25 1 22 23 1 22 26 1 23 24 1 25 26 2', '27 30 C:19 12.44 -15.30 C:26 10.02 -15.30 C:28 20.13 -13.94 C:28 21.15 -12.24 O 14.93 -6.96 O 17.38 -6.96 C:116 17.38 -12.54 C:128 18.57 -13.22 C:125 11.24 -13.22 C:125 11.24 -9.06 C:122 11.24 -10.47 C:117 12.44 -8.35 C:100 18.57 -9.06 C:23 12.44 -12.54 O 19.79 -11.14 O 14.93 -11.14 C:134 11.24 -14.62 C:164 17.38 -8.35 C:108 12.44 -11.14 C:162 18.57 -10.47 C:102 17.38 -11.14 C:182 14.93 -8.35 C:122 13.72 -9.06 C:147 13.72 -10.47 C:152 16.17 -10.47 C:104 16.17 -9.06 C:79 19.79 -12.54 1 17 1 2 17 1 3 27 1 4 27 1 5 22 2 6 18 1 7 8 2 7 21 1 8 27 1 9 14 1 9 17 2 10 11 2 10 12 1 11 19 1 12 23 2 13 18 2 13 20 1 14 19 1 15 20 1 15 27 1 16 24 1 16 25 1 18 26 1 19 24 2 20 21 2 21 25 1 22 23 1 22 26 1 23 24 1 25 26 2', 'C23H22O4', 362.244, 'A', 'ph67_1341_1', 1641, '', '', '1', 35, NULL, NULL),
(7507, 'Laurentixanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]3[c:7](O[CH3:7001])[c:8](O[CH3:101])[c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][cH:3][cH:4][c:4001]1o[c:10001]2[c:5]3O[CH3:5001]', 'COc3c(OC)c(OC)c2c(=O)c1c(O)cccc1oc2c3OC', '[CH3:62]O[c:148]3[c:143](O[CH3:62])[c:149](O[CH3:63])[c:117]2[c:182](=O)[c:109]1[c:162](O)[cH:111][cH:136][cH:106][c:155]1o[c:153]2[c:137]3O[CH3:62]', '24 26 C:6001 11.95 -13.96 C:7001 10.70 -10.43 C:5001 15.49 -14.66 C:101 13.06 -7.66 O 16.76 -8.34 O 19.20 -8.35 C:3 20.41 -11.85 C:2 20.41 -10.45 C:4 19.20 -12.54 O 11.95 -12.56 O 11.95 -9.74 O 14.29 -13.94 O 14.29 -8.35 O 16.76 -12.54 C:1 19.20 -9.75 C:6 13.13 -11.85 C:7 13.13 -10.45 C:5 14.29 -12.54 C:8 14.29 -9.75 C:9 16.76 -9.75 C:4001 17.99 -11.85 C:10001 15.49 -11.85 C:9001 17.99 -10.45 C:8001 15.49 -10.45 1 10 1 2 11 1 3 12 1 4 13 1 5 20 2 6 15 1 7 8 1 7 9 2 8 15 2 9 21 1 10 16 1 11 17 1 12 18 1 13 19 1 14 21 1 14 22 1 15 23 1 16 17 2 16 18 1 17 19 1 18 22 2 19 24 2 20 23 1 20 24 1 21 23 2 22 24 1', '24 26 C 11.95 -13.96 C 10.70 -10.43 C 15.49 -14.66 C 13.06 -7.66 O 16.76 -8.34 O 19.20 -8.35 C 20.41 -11.85 C 20.41 -10.45 C 19.20 -12.54 O 11.95 -12.56 O 11.95 -9.74 O 14.29 -13.94 O 14.29 -8.35 O 16.76 -12.54 C 19.20 -9.75 C 13.13 -11.85 C 13.13 -10.45 C 14.29 -12.54 C 14.29 -9.75 C 16.76 -9.75 C 17.99 -11.85 C 15.49 -11.85 C 17.99 -10.45 C 15.49 -10.45 1 10 1 2 11 1 3 12 1 4 13 1 5 20 2 6 15 1 7 8 1 7 9 2 8 15 2 9 21 1 10 16 1 11 17 1 12 18 1 13 19 1 14 21 1 14 22 1 15 23 1 16 17 2 16 18 1 17 19 1 18 22 2 19 24 2 20 23 1 20 24 1 21 23 2 22 24 1', '24 26 C:62 11.95 -13.96 C:62 10.70 -10.43 C:62 15.49 -14.66 C:63 13.06 -7.66 O 16.76 -8.34 O 19.20 -8.35 C:136 20.41 -11.85 C:111 20.41 -10.45 C:106 19.20 -12.54 O 11.95 -12.56 O 11.95 -9.74 O 14.29 -13.94 O 14.29 -8.35 O 16.76 -12.54 C:162 19.20 -9.75 C:148 13.13 -11.85 C:143 13.13 -10.45 C:137 14.29 -12.54 C:149 14.29 -9.75 C:182 16.76 -9.75 C:155 17.99 -11.85 C:153 15.49 -11.85 C:109 17.99 -10.45 C:117 15.49 -10.45 1 10 1 2 11 1 3 12 1 4 13 1 5 20 2 6 15 1 7 8 1 7 9 2 8 15 2 9 21 1 10 16 1 11 17 1 12 18 1 13 19 1 14 21 1 14 22 1 15 23 1 16 17 2 16 18 1 17 19 1 18 22 2 19 24 2 20 23 1 20 24 1 21 23 2 22 24 1', 'C17H16O7', 332.178, 'C', 'ph67_1341_2', 1641, '', '', '1', 35, NULL, NULL),
(7508, '', '1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-xanthone', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[CH:102](O)[CH2:101][c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[cH:5][cH:6][c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'C=C(C)C(O)Cc3c(O)cc2oc1ccc(O)cc1c(=O)c2c3O', '[CH2:110]=[C:148]([CH3:18])[CH:77](O)[CH2:30][c:109]3[c:166](O)[cH:95][c:157]2o[c:151]1[cH:120][cH:125][c:155](O)[cH:109][c:122]1[c:181](=O)[c:103]2[c:162]3O', '24 26 C:104 20.42 -7.95 C:105 21.64 -10.05 O 14.36 -10.07 O 9.52 -11.48 O 19.22 -14.29 O 16.79 -10.08 O 18.00 -9.38 C:6 10.73 -13.59 C:5 11.92 -14.28 C:8 11.92 -11.48 C:4 16.79 -14.28 C:101 19.22 -11.47 O 14.36 -14.28 C:103 20.42 -9.36 C:7 10.73 -12.17 C:3 18.00 -13.59 C:1 16.79 -11.48 C:2 18.00 -12.17 C:9 14.36 -11.48 C:10001 13.14 -13.59 C:4001 15.58 -13.59 C:8001 13.14 -12.17 C:9001 15.58 -12.17 C:102 19.22 -10.07 1 14 2 2 14 1 3 19 2 4 15 1 5 16 1 6 17 1 7 24 1 8 9 1 8 15 2 9 20 2 10 15 1 10 22 2 11 16 2 11 21 1 12 18 1 12 24 1 13 20 1 13 21 1 14 24 1 16 18 1 17 18 2 17 23 1 19 22 1 19 23 1 20 22 1 21 23 2', '24 26 C 20.42 -7.95 C 21.64 -10.05 O 14.36 -10.07 O 9.52 -11.48 O 19.22 -14.29 O 16.79 -10.08 O 18.00 -9.38 C 10.73 -13.59 C 11.92 -14.28 C 11.92 -11.48 C 16.79 -14.28 C 19.22 -11.47 O 14.36 -14.28 C 20.42 -9.36 C 10.73 -12.17 C 18.00 -13.59 C 16.79 -11.48 C 18.00 -12.17 C 14.36 -11.48 C 13.14 -13.59 C 15.58 -13.59 C 13.14 -12.17 C 15.58 -12.17 C 19.22 -10.07 1 14 2 2 14 1 3 19 2 4 15 1 5 16 1 6 17 1 7 24 1 8 9 1 8 15 2 9 20 2 10 15 1 10 22 2 11 16 2 11 21 1 12 18 1 12 24 1 13 20 1 13 21 1 14 24 1 16 18 1 17 18 2 17 23 1 19 22 1 19 23 1 20 22 1 21 23 2', '24 26 C:110 20.42 -7.95 C:18 21.64 -10.05 O 14.36 -10.07 O 9.52 -11.48 O 19.22 -14.29 O 16.79 -10.08 O 18.00 -9.38 C:125 10.73 -13.59 C:120 11.92 -14.28 C:109 11.92 -11.48 C:95 16.79 -14.28 C:30 19.22 -11.47 O 14.36 -14.28 C:148 20.42 -9.36 C:155 10.73 -12.17 C:166 18.00 -13.59 C:162 16.79 -11.48 C:109 18.00 -12.17 C:181 14.36 -11.48 C:151 13.14 -13.59 C:157 15.58 -13.59 C:122 13.14 -12.17 C:103 15.58 -12.17 C:77 19.22 -10.07 1 14 2 2 14 1 3 19 2 4 15 1 5 16 1 6 17 1 7 24 1 8 9 1 8 15 2 9 20 2 10 15 1 10 22 2 11 16 2 11 21 1 12 18 1 12 24 1 13 20 1 13 21 1 14 24 1 16 18 1 17 18 2 17 23 1 19 22 1 19 23 1 20 22 1 21 23 2', 'C18H16O6', 328.189, 'A', 'ph67_2146_1', 2225, '', '', '1', 35, NULL, NULL),
(7509, '', '1,7-Dihydroxy-2,3-[2''''-(1-hydroxy-1-methylethyl)-dihydrofurano]-xanthone', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]([CH3:104])(O)[CH:102]4[CH2:101][c:2]3[c:3]([cH:4][c:4001]2o[c:10001]1[cH:5][cH:6][c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O)O4', 'CC(C)(O)C4Cc3c(cc2oc1ccc(O)cc1c(=O)c2c3O)O4', '[CH3:26][C:71]([CH3:25])(O)[CH:93]4[CH2:26][c:109]3[c:168]([cH:89][c:159]2o[c:150]1[cH:119][cH:125][c:154](O)[cH:109][c:121]1[c:181](=O)[c:104]2[c:158]3O)O4', '24 27 C:105 21.60 -13.05 C:104 21.60 -10.63 O 13.70 -9.04 O 8.87 -10.44 O 16.14 -9.04 O 22.30 -11.84 C:6 10.08 -12.55 C:5 11.26 -13.24 C:8 11.26 -10.44 C:4 16.14 -13.24 C:101 18.68 -10.71 O 18.68 -12.98 O 13.70 -13.24 C:7 10.08 -11.14 C:3 17.35 -12.55 C:1 16.14 -10.44 C:2 17.35 -11.14 C:9 13.70 -10.44 C:10001 12.48 -12.55 C:4001 14.93 -12.55 C:8001 12.48 -11.14 C:9001 14.93 -11.14 C:102 19.50 -11.84 C:103 20.90 -11.84 1 24 1 2 24 1 3 18 2 4 14 1 5 16 1 6 24 1 7 8 1 7 14 2 8 19 2 9 14 1 9 21 2 10 15 2 10 20 1 11 17 1 11 23 1 12 15 1 12 23 1 13 19 1 13 20 1 15 17 1 16 17 2 16 22 1 18 21 1 18 22 1 19 21 1 20 22 2 23 24 1', '24 27 C 21.60 -13.05 C 21.60 -10.63 O 13.70 -9.04 O 8.87 -10.44 O 16.14 -9.04 O 22.30 -11.84 C 10.08 -12.55 C 11.26 -13.24 C 11.26 -10.44 C 16.14 -13.24 C 18.68 -10.71 O 18.68 -12.98 O 13.70 -13.24 C 10.08 -11.14 C 17.35 -12.55 C 16.14 -10.44 C 17.35 -11.14 C 13.70 -10.44 C 12.48 -12.55 C 14.93 -12.55 C 12.48 -11.14 C 14.93 -11.14 C 19.50 -11.84 C 20.90 -11.84 1 24 1 2 24 1 3 18 2 4 14 1 5 16 1 6 24 1 7 8 1 7 14 2 8 19 2 9 14 1 9 21 2 10 15 2 10 20 1 11 17 1 11 23 1 12 15 1 12 23 1 13 19 1 13 20 1 15 17 1 16 17 2 16 22 1 18 21 1 18 22 1 19 21 1 20 22 2 23 24 1', '24 27 C:26 21.60 -13.05 C:25 21.60 -10.63 O 13.70 -9.04 O 8.87 -10.44 O 16.14 -9.04 O 22.30 -11.84 C:125 10.08 -12.55 C:119 11.26 -13.24 C:109 11.26 -10.44 C:89 16.14 -13.24 C:26 18.68 -10.71 O 18.68 -12.98 O 13.70 -13.24 C:154 10.08 -11.14 C:168 17.35 -12.55 C:158 16.14 -10.44 C:109 17.35 -11.14 C:181 13.70 -10.44 C:150 12.48 -12.55 C:159 14.93 -12.55 C:121 12.48 -11.14 C:104 14.93 -11.14 C:93 19.50 -11.84 C:71 20.90 -11.84 1 24 1 2 24 1 3 18 2 4 14 1 5 16 1 6 24 1 7 8 1 7 14 2 8 19 2 9 14 1 9 21 2 10 15 2 10 20 1 11 17 1 11 23 1 12 15 1 12 23 1 13 19 1 13 20 1 15 17 1 16 17 2 16 22 1 18 21 1 18 22 1 19 21 1 20 22 2 23 24 1', 'C18H16O6', 328.189, 'A', 'ph67_2146_2', 2225, '', '', '1', 35, NULL, NULL),
(7510, '', '1,3,7-trihydroxy-5-methoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:5001]O[c:5]2[cH:6][c:7](O)[cH:8][c:8001]3[c:9](=O)[c:9001]1[c:1](O)[cH:2][c:3](O)[cH:4][c:4001]1o[c:10001]23', 'COc2cc(O)cc3c(=O)c1c(O)cc(O)cc1oc23', '[CH3:56]O[c:150]2[cH:107][c:156](O)[cH:100][c:122]3[c:181](=O)[c:103]1[c:164](O)[cH:99][c:167](O)[cH:95][c:159]1o[c:141]23', '20 22 C:5001 11.86 -14.30 O 15.56 -8.02 O 20.40 -12.24 O 10.72 -9.43 O 17.97 -8.03 C:2 19.19 -10.13 C:6 11.93 -11.54 C:4 17.97 -12.23 C:8 13.09 -9.43 O 13.09 -13.63 O 15.56 -12.23 C:3 19.19 -11.54 C:7 11.93 -10.13 C:1 17.97 -9.43 C:5 13.09 -12.23 C:9 15.56 -9.43 C:4001 16.77 -11.54 C:8001 14.34 -10.13 C:10001 14.34 -11.54 C:9001 16.77 -10.13 1 10 1 2 16 2 3 12 1 4 13 1 5 14 1 6 12 1 6 14 2 7 13 2 7 15 1 8 12 2 8 17 1 9 13 1 9 18 2 10 15 1 11 17 1 11 19 1 14 20 1 15 19 2 16 18 1 16 20 1 17 20 2 18 19 1', '20 22 C 11.86 -14.30 O 15.56 -8.02 O 20.40 -12.24 O 10.72 -9.43 O 17.97 -8.03 C 19.19 -10.13 C 11.93 -11.54 C 17.97 -12.23 C 13.09 -9.43 O 13.09 -13.63 O 15.56 -12.23 C 19.19 -11.54 C 11.93 -10.13 C 17.97 -9.43 C 13.09 -12.23 C 15.56 -9.43 C 16.77 -11.54 C 14.34 -10.13 C 14.34 -11.54 C 16.77 -10.13 1 10 1 2 16 2 3 12 1 4 13 1 5 14 1 6 12 1 6 14 2 7 13 2 7 15 1 8 12 2 8 17 1 9 13 1 9 18 2 10 15 1 11 17 1 11 19 1 14 20 1 15 19 2 16 18 1 16 20 1 17 20 2 18 19 1', '20 22 C:56 11.86 -14.30 O 15.56 -8.02 O 20.40 -12.24 O 10.72 -9.43 O 17.97 -8.03 C:99 19.19 -10.13 C:107 11.93 -11.54 C:95 17.97 -12.23 C:100 13.09 -9.43 O 13.09 -13.63 O 15.56 -12.23 C:167 19.19 -11.54 C:156 11.93 -10.13 C:164 17.97 -9.43 C:150 13.09 -12.23 C:181 15.56 -9.43 C:159 16.77 -11.54 C:122 14.34 -10.13 C:141 14.34 -11.54 C:103 16.77 -10.13 1 10 1 2 16 2 3 12 1 4 13 1 5 14 1 6 12 1 6 14 2 7 13 2 7 15 1 8 12 2 8 17 1 9 13 1 9 18 2 10 15 1 11 17 1 11 19 1 14 20 1 15 19 2 16 18 1 16 20 1 17 20 2 18 19 1', 'C14H10O6', 274.146, 'P', 'ph67_2146_3', 2225, '', '', '1', 35, NULL, NULL),
(7511, '', '1,7-Dihydroxy-5,6-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]3[c:7](O)[cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][cH:3][cH:4][c:4001]1o[c:10001]2[c:5]3O[CH3:5001]', 'COc3c(O)cc2c(=O)c1c(O)cccc1oc2c3OC', '[CH3:62]O[c:138]3[c:156](O)[cH:99][c:109]2[c:181](=O)[c:109]1[c:162](O)[cH:111][cH:136][cH:106][c:156]1o[c:155]2[c:152]3O[CH3:62]', '21 23 C:6001 10.69 -11.54 C:5001 13.05 -14.26 O 16.76 -7.98 O 11.92 -9.39 O 19.19 -7.99 C:3 20.40 -11.49 C:2 20.40 -10.09 C:4 19.19 -12.18 C:8 14.28 -9.39 O 11.92 -12.21 O 14.28 -13.59 O 16.76 -12.18 C:7 13.12 -10.09 C:1 19.19 -9.39 C:6 13.12 -11.49 C:5 14.28 -12.18 C:9 16.76 -9.39 C:4001 17.99 -11.49 C:8001 15.53 -10.09 C:10001 15.53 -11.49 C:9001 17.99 -10.09 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 1 6 8 2 7 14 2 8 18 1 9 13 1 9 19 2 10 15 1 11 16 1 12 18 1 12 20 1 13 15 2 14 21 1 15 16 1 16 20 2 17 19 1 17 21 1 18 21 2 19 20 1', '21 23 C 10.69 -11.54 C 13.05 -14.26 O 16.76 -7.98 O 11.92 -9.39 O 19.19 -7.99 C 20.40 -11.49 C 20.40 -10.09 C 19.19 -12.18 C 14.28 -9.39 O 11.92 -12.21 O 14.28 -13.59 O 16.76 -12.18 C 13.12 -10.09 C 19.19 -9.39 C 13.12 -11.49 C 14.28 -12.18 C 16.76 -9.39 C 17.99 -11.49 C 15.53 -10.09 C 15.53 -11.49 C 17.99 -10.09 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 1 6 8 2 7 14 2 8 18 1 9 13 1 9 19 2 10 15 1 11 16 1 12 18 1 12 20 1 13 15 2 14 21 1 15 16 1 16 20 2 17 19 1 17 21 1 18 21 2 19 20 1', '21 23 C:62 10.69 -11.54 C:62 13.05 -14.26 O 16.76 -7.98 O 11.92 -9.39 O 19.19 -7.99 C:136 20.40 -11.49 C:111 20.40 -10.09 C:106 19.19 -12.18 C:99 14.28 -9.39 O 11.92 -12.21 O 14.28 -13.59 O 16.76 -12.18 C:156 13.12 -10.09 C:162 19.19 -9.39 C:138 13.12 -11.49 C:152 14.28 -12.18 C:181 16.76 -9.39 C:156 17.99 -11.49 C:109 15.53 -10.09 C:155 15.53 -11.49 C:109 17.99 -10.09 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 1 6 8 2 7 14 2 8 18 1 9 13 1 9 19 2 10 15 1 11 16 1 12 18 1 12 20 1 13 15 2 14 21 1 15 16 1 16 20 2 17 19 1 17 21 1 18 21 2 19 20 1', 'C15H12O6', 288.157, 'C', 'ph67_2146_4', 2225, '', '', '1', 35, NULL, NULL),
(7512, '', '4,5-Dihydroxy-2,3-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[cH:1][c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]2[c:4](O)[c:3]3O[CH3:3001]', 'COc3cc2c(=O)c1cccc(O)c1oc2c(O)c3OC', '[CH3:56]O[c:151]3[cH:97][c:118]2[c:177](=O)[c:124]1[cH:116][cH:124][cH:121][c:148](O)[c:147]1o[c:143]2[c:142](O)[c:143]3O[CH3:61]', '21 23 C:2001 20.40 -10.39 C:3001 19.16 -13.94 O 14.32 -8.30 O 11.86 -13.91 O 16.77 -13.91 C:7 10.70 -10.41 C:6 10.70 -11.82 C:8 11.89 -9.71 C:1 16.77 -9.71 O 19.18 -9.70 O 19.16 -12.54 O 14.32 -12.51 C:5 11.86 -12.51 C:2 17.98 -10.41 C:4 16.77 -12.51 C:3 17.98 -11.82 C:9 14.32 -9.71 C:8001 13.10 -10.41 C:9001 15.55 -10.41 C:10001 13.10 -11.82 C:4001 15.55 -11.82 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 2 6 8 1 7 13 1 8 18 2 9 14 2 9 19 1 10 14 1 11 16 1 12 20 1 12 21 1 13 20 2 14 16 1 15 16 2 15 21 1 17 18 1 17 19 1 18 20 1 19 21 2', '21 23 C 20.40 -10.39 C 19.16 -13.94 O 14.32 -8.30 O 11.86 -13.91 O 16.77 -13.91 C 10.70 -10.41 C 10.70 -11.82 C 11.89 -9.71 C 16.77 -9.71 O 19.18 -9.70 O 19.16 -12.54 O 14.32 -12.51 C 11.86 -12.51 C 17.98 -10.41 C 16.77 -12.51 C 17.98 -11.82 C 14.32 -9.71 C 13.10 -10.41 C 15.55 -10.41 C 13.10 -11.82 C 15.55 -11.82 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 2 6 8 1 7 13 1 8 18 2 9 14 2 9 19 1 10 14 1 11 16 1 12 20 1 12 21 1 13 20 2 14 16 1 15 16 2 15 21 1 17 18 1 17 19 1 18 20 1 19 21 2', '21 23 C:56 20.40 -10.39 C:61 19.16 -13.94 O 14.32 -8.30 O 11.86 -13.91 O 16.77 -13.91 C:124 10.70 -10.41 C:121 10.70 -11.82 C:116 11.89 -9.71 C:97 16.77 -9.71 O 19.18 -9.70 O 19.16 -12.54 O 14.32 -12.51 C:148 11.86 -12.51 C:151 17.98 -10.41 C:142 16.77 -12.51 C:143 17.98 -11.82 C:177 14.32 -9.71 C:124 13.10 -10.41 C:118 15.55 -10.41 C:147 13.10 -11.82 C:143 15.55 -11.82 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 2 6 8 1 7 13 1 8 18 2 9 14 2 9 19 1 10 14 1 11 16 1 12 20 1 12 21 1 13 20 2 14 16 1 15 16 2 15 21 1 17 18 1 17 19 1 18 20 1 19 21 2', 'C15H12O6', 288.157, 'P', 'ph67_2146_5', 2225, '', '', '1', 35, NULL, NULL),
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(7515, '', '1,3-Dihydroxy-2-methoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[cH:5][cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'COc3c(O)cc2oc1ccccc1c(=O)c2c3O', '[CH3:61]O[c:130]3[c:156](O)[cH:93][c:153]2o[c:156]1[cH:118][cH:135][cH:124][cH:126][c:120]1[c:181](=O)[c:104]2[c:153]3O', '19 21 C:2001 20.44 -11.14 O 14.38 -9.03 O 19.23 -13.24 O 16.81 -9.03 C:6 10.75 -12.55 C:7 10.75 -11.14 C:5 11.94 -13.24 C:8 11.94 -10.44 C:4 16.81 -13.24 O 19.23 -10.44 O 14.38 -13.24 C:3 18.02 -12.55 C:1 16.81 -10.44 C:2 18.02 -11.14 C:9 14.38 -10.44 C:10001 13.16 -12.55 C:4001 15.60 -12.55 C:8001 13.16 -11.14 C:9001 15.60 -11.14 1 10 1 2 15 2 3 12 1 4 13 1 5 6 2 5 7 1 6 8 1 7 16 2 8 18 2 9 12 2 9 17 1 10 14 1 11 16 1 11 17 1 12 14 1 13 14 2 13 19 1 15 18 1 15 19 1 16 18 1 17 19 2', '19 21 C 20.44 -11.14 O 14.38 -9.03 O 19.23 -13.24 O 16.81 -9.03 C 10.75 -12.55 C 10.75 -11.14 C 11.94 -13.24 C 11.94 -10.44 C 16.81 -13.24 O 19.23 -10.44 O 14.38 -13.24 C 18.02 -12.55 C 16.81 -10.44 C 18.02 -11.14 C 14.38 -10.44 C 13.16 -12.55 C 15.60 -12.55 C 13.16 -11.14 C 15.60 -11.14 1 10 1 2 15 2 3 12 1 4 13 1 5 6 2 5 7 1 6 8 1 7 16 2 8 18 2 9 12 2 9 17 1 10 14 1 11 16 1 11 17 1 12 14 1 13 14 2 13 19 1 15 18 1 15 19 1 16 18 1 17 19 2', '19 21 C:61 20.44 -11.14 O 14.38 -9.03 O 19.23 -13.24 O 16.81 -9.03 C:135 10.75 -12.55 C:124 10.75 -11.14 C:118 11.94 -13.24 C:126 11.94 -10.44 C:93 16.81 -13.24 O 19.23 -10.44 O 14.38 -13.24 C:156 18.02 -12.55 C:153 16.81 -10.44 C:130 18.02 -11.14 C:181 14.38 -10.44 C:156 13.16 -12.55 C:153 15.60 -12.55 C:120 13.16 -11.14 C:104 15.60 -11.14 1 10 1 2 15 2 3 12 1 4 13 1 5 6 2 5 7 1 6 8 1 7 16 2 8 18 2 9 12 2 9 17 1 10 14 1 11 16 1 11 17 1 12 14 1 13 14 2 13 19 1 15 18 1 15 19 1 16 18 1 17 19 2', 'C14H10O5', 258.147, 'C', 'ph67_2146_13', 2225, '', '', '1', 35, 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
(7516, '', '3-Hydroxy-2,4-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[cH:1][c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][cH:5][c:10001]1o[c:4001]2[c:4](O[CH3:101])[c:3]3O', 'COc3cc2c(=O)c1ccccc1oc2c(OC)c3O', '[CH3:56]O[c:147]3[cH:101][c:114]2[c:176](=O)[c:122]1[cH:127][cH:124][cH:134][cH:118][c:156]1o[c:147]2[c:136](O[CH3:61])[c:149]3O', '20 22 C:2001 20.43 -10.12 C:101 15.58 -14.32 O 14.37 -8.01 O 19.22 -12.23 C:6 10.75 -11.53 C:7 10.75 -10.12 C:5 11.94 -12.22 C:8 11.94 -9.42 C:1 16.80 -9.42 O 19.22 -9.42 O 16.80 -13.62 O 14.37 -12.22 C:2 18.01 -10.12 C:3 18.01 -11.53 C:4 16.80 -12.22 C:9 14.37 -9.42 C:10001 13.15 -11.53 C:8001 13.15 -10.12 C:9001 15.59 -10.12 C:4001 15.58 -11.53 1 10 1 2 11 1 3 16 2 4 14 1 5 6 2 5 7 1 6 8 1 7 17 2 8 18 2 9 13 2 9 19 1 10 13 1 11 15 1 12 17 1 12 20 1 13 14 1 14 15 2 15 20 1 16 18 1 16 19 1 17 18 1 19 20 2', '20 22 C 20.43 -10.12 C 15.58 -14.32 O 14.37 -8.01 O 19.22 -12.23 C 10.75 -11.53 C 10.75 -10.12 C 11.94 -12.22 C 11.94 -9.42 C 16.80 -9.42 O 19.22 -9.42 O 16.80 -13.62 O 14.37 -12.22 C 18.01 -10.12 C 18.01 -11.53 C 16.80 -12.22 C 14.37 -9.42 C 13.15 -11.53 C 13.15 -10.12 C 15.59 -10.12 C 15.58 -11.53 1 10 1 2 11 1 3 16 2 4 14 1 5 6 2 5 7 1 6 8 1 7 17 2 8 18 2 9 13 2 9 19 1 10 13 1 11 15 1 12 17 1 12 20 1 13 14 1 14 15 2 15 20 1 16 18 1 16 19 1 17 18 1 19 20 2', '20 22 C:56 20.43 -10.12 C:61 15.58 -14.32 O 14.37 -8.01 O 19.22 -12.23 C:134 10.75 -11.53 C:124 10.75 -10.12 C:118 11.94 -12.22 C:127 11.94 -9.42 C:101 16.80 -9.42 O 19.22 -9.42 O 16.80 -13.62 O 14.37 -12.22 C:147 18.01 -10.12 C:149 18.01 -11.53 C:136 16.80 -12.22 C:176 14.37 -9.42 C:156 13.15 -11.53 C:122 13.15 -10.12 C:114 15.59 -10.12 C:147 15.58 -11.53 1 10 1 2 11 1 3 16 2 4 14 1 5 6 2 5 7 1 6 8 1 7 17 2 8 18 2 9 13 2 9 19 1 10 13 1 11 15 1 12 17 1 12 20 1 13 14 1 14 15 2 15 20 1 16 18 1 16 19 1 17 18 1 19 20 2', 'C15H12O5', 272.158, 'A', 'ph67_2146_15', 2225, '', '', '1', 35, NULL, NULL),
(7517, '', '1,3,5-Trihydroxy-6-methoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:6001]O[c:6]3[cH:7][cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][c:3](O)[cH:4][c:4001]1o[c:10001]2[c:5]3O', 'COc3ccc2c(=O)c1c(O)cc(O)cc1oc2c3O', '[CH3:56]O[c:153]3[cH:109][cH:115][c:116]2[c:181](=O)[c:102]1[c:165](O)[cH:100][c:169](O)[cH:96][c:159]1o[c:147]2[c:137]3O', '20 22 C:6001 10.12 -11.91 O 16.17 -8.36 O 21.03 -12.58 O 18.61 -8.37 O 13.70 -13.96 C:7 12.55 -10.47 C:8 13.73 -9.77 C:2 19.82 -10.47 C:4 18.61 -12.57 O 11.34 -12.59 O 16.17 -12.57 C:3 19.82 -11.88 C:1 18.61 -9.77 C:6 12.55 -11.88 C:5 13.70 -12.57 C:9 16.17 -9.77 C:4001 17.40 -11.88 C:8001 14.95 -10.47 C:10001 14.95 -11.88 C:9001 17.40 -10.47 1 10 1 2 16 2 3 12 1 4 13 1 5 15 1 6 7 1 6 14 2 7 18 2 8 12 1 8 13 2 9 12 2 9 17 1 10 14 1 11 17 1 11 19 1 13 20 1 14 15 1 15 19 2 16 18 1 16 20 1 17 20 2 18 19 1', '20 22 C 10.12 -11.91 O 16.17 -8.36 O 21.03 -12.58 O 18.61 -8.37 O 13.70 -13.96 C 12.55 -10.47 C 13.73 -9.77 C 19.82 -10.47 C 18.61 -12.57 O 11.34 -12.59 O 16.17 -12.57 C 19.82 -11.88 C 18.61 -9.77 C 12.55 -11.88 C 13.70 -12.57 C 16.17 -9.77 C 17.40 -11.88 C 14.95 -10.47 C 14.95 -11.88 C 17.40 -10.47 1 10 1 2 16 2 3 12 1 4 13 1 5 15 1 6 7 1 6 14 2 7 18 2 8 12 1 8 13 2 9 12 2 9 17 1 10 14 1 11 17 1 11 19 1 13 20 1 14 15 1 15 19 2 16 18 1 16 20 1 17 20 2 18 19 1', '20 22 C:56 10.12 -11.91 O 16.17 -8.36 O 21.03 -12.58 O 18.61 -8.37 O 13.70 -13.96 C:109 12.55 -10.47 C:115 13.73 -9.77 C:100 19.82 -10.47 C:96 18.61 -12.57 O 11.34 -12.59 O 16.17 -12.57 C:169 19.82 -11.88 C:165 18.61 -9.77 C:153 12.55 -11.88 C:137 13.70 -12.57 C:181 16.17 -9.77 C:159 17.40 -11.88 C:116 14.95 -10.47 C:147 14.95 -11.88 C:102 17.40 -10.47 1 10 1 2 16 2 3 12 1 4 13 1 5 15 1 6 7 1 6 14 2 7 18 2 8 12 1 8 13 2 9 12 2 9 17 1 10 14 1 11 17 1 11 19 1 13 20 1 14 15 1 15 19 2 16 18 1 16 20 1 17 20 2 18 19 1', 'C14H10O6', 274.146, 'P', 'ph67_2146_17', 2225, '', '', '1', 35, NULL, NULL),
(7518, '', '1,5-dihydroxy-6,7-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][cH:3][cH:4][c:4001]1o[c:10001]2[c:5](O)[c:6]3O[CH3:6001]', 'COc3cc2c(=O)c1c(O)cccc1oc2c(O)c3OC', '[CH3:56]O[c:149]3[cH:97][c:117]2[c:181](=O)[c:109]1[c:162](O)[cH:110][cH:136][cH:107][c:156]1o[c:141]2[c:138](O)[c:142]3O[CH3:61]', '21 23 C:7001 11.97 -8.35 C:6001 10.73 -11.92 O 16.79 -8.36 O 19.24 -8.37 O 14.32 -13.96 C:3 20.45 -11.87 C:2 20.45 -10.47 C:4 19.24 -12.56 C:8 14.35 -9.77 O 11.97 -9.75 O 11.97 -12.60 O 16.79 -12.56 C:1 19.24 -9.77 C:7 13.17 -10.47 C:5 14.32 -12.56 C:6 13.17 -11.87 C:9 16.79 -9.77 C:4001 18.03 -11.87 C:8001 15.57 -10.47 C:10001 15.57 -11.87 C:9001 18.03 -10.47 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 1 6 8 2 7 13 2 8 18 1 9 14 1 9 19 2 10 14 1 11 16 1 12 18 1 12 20 1 13 21 1 14 16 2 15 16 1 15 20 2 17 19 1 17 21 1 18 21 2 19 20 1', '21 23 C 11.97 -8.35 C 10.73 -11.92 O 16.79 -8.36 O 19.24 -8.37 O 14.32 -13.96 C 20.45 -11.87 C 20.45 -10.47 C 19.24 -12.56 C 14.35 -9.77 O 11.97 -9.75 O 11.97 -12.60 O 16.79 -12.56 C 19.24 -9.77 C 13.17 -10.47 C 14.32 -12.56 C 13.17 -11.87 C 16.79 -9.77 C 18.03 -11.87 C 15.57 -10.47 C 15.57 -11.87 C 18.03 -10.47 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 1 6 8 2 7 13 2 8 18 1 9 14 1 9 19 2 10 14 1 11 16 1 12 18 1 12 20 1 13 21 1 14 16 2 15 16 1 15 20 2 17 19 1 17 21 1 18 21 2 19 20 1', '21 23 C:56 11.97 -8.35 C:61 10.73 -11.92 O 16.79 -8.36 O 19.24 -8.37 O 14.32 -13.96 C:136 20.45 -11.87 C:110 20.45 -10.47 C:107 19.24 -12.56 C:97 14.35 -9.77 O 11.97 -9.75 O 11.97 -12.60 O 16.79 -12.56 C:162 19.24 -9.77 C:149 13.17 -10.47 C:138 14.32 -12.56 C:142 13.17 -11.87 C:181 16.79 -9.77 C:156 18.03 -11.87 C:117 15.57 -10.47 C:141 15.57 -11.87 C:109 18.03 -10.47 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 1 6 8 2 7 13 2 8 18 1 9 14 1 9 19 2 10 14 1 11 16 1 12 18 1 12 20 1 13 21 1 14 16 2 15 16 1 15 20 2 17 19 1 17 21 1 18 21 2 19 20 1', 'C15H12O6', 288.157, 'C', 'ph67_2146_20', 2225, '', '', '1', 35, NULL, NULL),
(7519, '', '1,3,5-Trihydroxy-6,7-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][c:3](O)[cH:4][c:4001]1o[c:10001]2[c:5](O)[c:6]3O[CH3:6001]', 'COc3cc2c(=O)c1c(O)cc(O)cc1oc2c(O)c3OC', '[CH3:56]O[c:151]3[cH:96][c:117]2[c:181](=O)[c:103]1[c:164](O)[cH:99][c:167](O)[cH:95][c:159]1o[c:143]2[c:141](O)[c:143]3O[CH3:61]', '22 24 C:7001 11.36 -8.35 C:6001 10.12 -11.92 O 16.18 -8.36 O 21.04 -12.58 O 18.62 -8.37 O 13.71 -13.96 C:2 19.83 -10.47 C:4 18.62 -12.56 C:8 13.71 -9.77 O 11.36 -9.75 O 11.36 -12.60 O 16.18 -12.56 C:3 19.83 -11.87 C:1 18.62 -9.77 C:7 12.56 -10.47 C:5 13.71 -12.56 C:6 12.56 -11.87 C:9 16.18 -9.77 C:4001 17.42 -11.87 C:8001 14.96 -10.47 C:10001 14.96 -11.87 C:9001 17.42 -10.47 1 10 1 2 11 1 3 18 2 4 13 1 5 14 1 6 16 1 7 13 1 7 14 2 8 13 2 8 19 1 9 15 1 9 20 2 10 15 1 11 17 1 12 19 1 12 21 1 14 22 1 15 17 2 16 17 1 16 21 2 18 20 1 18 22 1 19 22 2 20 21 1', '22 24 C 11.36 -8.35 C 10.12 -11.92 O 16.18 -8.36 O 21.04 -12.58 O 18.62 -8.37 O 13.71 -13.96 C 19.83 -10.47 C 18.62 -12.56 C 13.71 -9.77 O 11.36 -9.75 O 11.36 -12.60 O 16.18 -12.56 C 19.83 -11.87 C 18.62 -9.77 C 12.56 -10.47 C 13.71 -12.56 C 12.56 -11.87 C 16.18 -9.77 C 17.42 -11.87 C 14.96 -10.47 C 14.96 -11.87 C 17.42 -10.47 1 10 1 2 11 1 3 18 2 4 13 1 5 14 1 6 16 1 7 13 1 7 14 2 8 13 2 8 19 1 9 15 1 9 20 2 10 15 1 11 17 1 12 19 1 12 21 1 14 22 1 15 17 2 16 17 1 16 21 2 18 20 1 18 22 1 19 22 2 20 21 1', '22 24 C:56 11.36 -8.35 C:61 10.12 -11.92 O 16.18 -8.36 O 21.04 -12.58 O 18.62 -8.37 O 13.71 -13.96 C:99 19.83 -10.47 C:95 18.62 -12.56 C:96 13.71 -9.77 O 11.36 -9.75 O 11.36 -12.60 O 16.18 -12.56 C:167 19.83 -11.87 C:164 18.62 -9.77 C:151 12.56 -10.47 C:141 13.71 -12.56 C:143 12.56 -11.87 C:181 16.18 -9.77 C:159 17.42 -11.87 C:117 14.96 -10.47 C:143 14.96 -11.87 C:103 17.42 -10.47 1 10 1 2 11 1 3 18 2 4 13 1 5 14 1 6 16 1 7 13 1 7 14 2 8 13 2 8 19 1 9 15 1 9 20 2 10 15 1 11 17 1 12 19 1 12 21 1 14 22 1 15 17 2 16 17 1 16 21 2 18 20 1 18 22 1 19 22 2 20 21 1', 'C15H12O7', 304.156, 'P', 'ph67_2146_23', 2225, '', '', '1', 35, NULL, NULL),
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(7530, 'Polyanxanthone A', '', 'Aromatics', 'Xanthones', '', '[CH3:3004][C:3003]([CH3:3005])=[CH:3002][CH2:3001]O[c:3]3[cH:2][c:1](O[CH2:1001][CH:1002]=[C:1003]([CH3:1005])[CH3:1004])[c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][c:5](O[CH2:5001][CH:5002]=[C:5003]([CH3:5005])[CH3:5004])[c:10001]1o[c:4001]2[cH:4]3', 'CC(C)=CCOc3cc(OCC=C(C)C)c2c(=O)c1cccc(OCC=C(C)C)c1oc2c3', '[CH3:26][C:139]([CH3:18])=[CH:118][CH2:66]O[c:164]3[cH:94][c:161](O[CH2:66][CH:119]=[C:138]([CH3:26])[CH3:18])[c:107]2[c:175](=O)[c:124]1[cH:118][cH:123][cH:116][c:147](O[CH2:66][CH:119]=[C:138]([CH3:18])[CH3:26])[c:146]1o[c:160]2[cH:97]3', '33 35 C:3004 23.48 -12.71 C:3005 22.27 -10.59 C:5005 7.64 -16.03 C:5004 8.84 -18.14 C:1005 18.63 -4.17 C:1004 19.85 -6.28 O 13.77 -8.38 C:3002 21.05 -12.66 C:5002 10.09 -16.05 C:1002 17.42 -6.28 C:7 10.16 -10.48 C:6 10.16 -11.89 C:8 11.32 -9.79 C:2 17.42 -10.48 C:4 16.21 -12.57 C:3001 19.85 -11.94 C:5001 10.09 -14.65 C:1001 17.42 -7.69 O 18.62 -12.62 O 11.32 -13.97 O 16.21 -8.39 O 13.77 -12.57 C:3003 22.27 -11.99 C:5003 8.84 -16.74 C:1003 18.63 -5.58 C:3 17.42 -11.89 C:5 11.32 -12.57 C:1 16.21 -9.79 C:9 13.77 -9.79 C:4001 15.00 -11.89 C:8001 12.55 -10.48 C:10001 12.55 -11.89 C:9001 15.00 -10.48 1 23 1 2 23 1 3 24 1 4 24 1 5 25 1 6 25 1 7 29 2 8 16 1 8 23 2 9 17 1 9 24 2 10 18 1 10 25 2 11 12 2 11 13 1 12 27 1 13 31 2 14 26 1 14 28 2 15 26 2 15 30 1 16 19 1 17 20 1 18 21 1 19 26 1 20 27 1 21 28 1 22 30 1 22 32 1 27 32 2 28 33 1 29 31 1 29 33 1 30 33 2 31 32 1', '33 35 C 23.48 -12.71 C 22.27 -10.59 C 7.64 -16.03 C 8.84 -18.14 C 18.63 -4.17 C 19.85 -6.28 O 13.77 -8.38 C 21.05 -12.66 C 10.09 -16.05 C 17.42 -6.28 C 10.16 -10.48 C 10.16 -11.89 C 11.32 -9.79 C 17.42 -10.48 C 16.21 -12.57 C 19.85 -11.94 C 10.09 -14.65 C 17.42 -7.69 O 18.62 -12.62 O 11.32 -13.97 O 16.21 -8.39 O 13.77 -12.57 C 22.27 -11.99 C 8.84 -16.74 C 18.63 -5.58 C 17.42 -11.89 C 11.32 -12.57 C 16.21 -9.79 C 13.77 -9.79 C 15.00 -11.89 C 12.55 -10.48 C 12.55 -11.89 C 15.00 -10.48 1 23 1 2 23 1 3 24 1 4 24 1 5 25 1 6 25 1 7 29 2 8 16 1 8 23 2 9 17 1 9 24 2 10 18 1 10 25 2 11 12 2 11 13 1 12 27 1 13 31 2 14 26 1 14 28 2 15 26 2 15 30 1 16 19 1 17 20 1 18 21 1 19 26 1 20 27 1 21 28 1 22 30 1 22 32 1 27 32 2 28 33 1 29 31 1 29 33 1 30 33 2 31 32 1', '33 35 C:26 23.48 -12.71 C:18 22.27 -10.59 C:18 7.64 -16.03 C:26 8.84 -18.14 C:26 18.63 -4.17 C:18 19.85 -6.28 O 13.77 -8.38 C:118 21.05 -12.66 C:119 10.09 -16.05 C:119 17.42 -6.28 C:123 10.16 -10.48 C:116 10.16 -11.89 C:118 11.32 -9.79 C:94 17.42 -10.48 C:97 16.21 -12.57 C:66 19.85 -11.94 C:66 10.09 -14.65 C:66 17.42 -7.69 O 18.62 -12.62 O 11.32 -13.97 O 16.21 -8.39 O 13.77 -12.57 C:139 22.27 -11.99 C:138 8.84 -16.74 C:138 18.63 -5.58 C:164 17.42 -11.89 C:147 11.32 -12.57 C:161 16.21 -9.79 C:175 13.77 -9.79 C:160 15.00 -11.89 C:124 12.55 -10.48 C:146 12.55 -11.89 C:107 15.00 -10.48 1 23 1 2 23 1 3 24 1 4 24 1 5 25 1 6 25 1 7 29 2 8 16 1 8 23 2 9 17 1 9 24 2 10 18 1 10 25 2 11 12 2 11 13 1 12 27 1 13 31 2 14 26 1 14 28 2 15 26 2 15 30 1 16 19 1 17 20 1 18 21 1 19 26 1 20 27 1 21 28 1 22 30 1 22 32 1 27 32 2 28 33 1 29 31 1 29 33 1 30 33 2 31 32 1', 'C28H32O5', 448.297, 'C', 'ph69_1013_1', 1355, '', '', '1', 35, NULL, NULL),
(7531, 'Polyanxanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:5005][C:5003]([CH3:5004])=[CH:5002][CH2:5001]O[c:5]2[cH:6][cH:7][cH:8][c:8001]3[c:9](=O)[c:9001]1[c:1](O[CH2:1001][CH:1002]=[C:1003]([CH3:1005])[CH3:1004])[cH:2][cH:3][cH:4][c:4001]1o[c:10001]23', 'CC(C)=CCOc2cccc3c(=O)c1c(OCC=C(C)C)cccc1oc23', '[CH3:18][C:139]([CH3:26])=[CH:119][CH2:66]O[c:147]2[cH:117][cH:123][cH:118][c:124]3[c:176](=O)[c:113]1[c:160](O[CH2:66][CH:119]=[C:138]([CH3:26])[CH3:18])[cH:107][cH:135][cH:110][c:158]1o[c:146]23', '27 29 C:5005 9.49 -16.04 C:5004 10.69 -18.15 C:1005 20.47 -4.16 C:1004 21.68 -6.27 O 15.61 -8.38 C:5002 11.94 -16.04 C:1002 19.26 -6.27 C:3 19.26 -11.91 C:7 12.01 -10.50 C:6 12.01 -11.91 C:2 19.26 -10.50 C:4 18.05 -12.59 C:8 13.16 -9.79 C:5001 11.94 -14.66 C:1001 19.26 -7.68 O 13.16 -13.98 O 18.05 -8.38 O 15.61 -12.59 C:5003 10.69 -16.75 C:1003 20.47 -5.57 C:5 13.16 -12.59 C:1 18.05 -9.79 C:9 15.61 -9.79 C:4001 16.84 -11.91 C:8001 14.39 -10.50 C:10001 14.39 -11.91 C:9001 16.84 -10.50 1 19 1 2 19 1 3 20 1 4 20 1 5 23 2 6 14 1 6 19 2 7 15 1 7 20 2 8 11 1 8 12 2 9 10 2 9 13 1 10 21 1 11 22 2 12 24 1 13 25 2 14 16 1 15 17 1 16 21 1 17 22 1 18 24 1 18 26 1 21 26 2 22 27 1 23 25 1 23 27 1 24 27 2 25 26 1', '27 29 C 9.49 -16.04 C 10.69 -18.15 C 20.47 -4.16 C 21.68 -6.27 O 15.61 -8.38 C 11.94 -16.04 C 19.26 -6.27 C 19.26 -11.91 C 12.01 -10.50 C 12.01 -11.91 C 19.26 -10.50 C 18.05 -12.59 C 13.16 -9.79 C 11.94 -14.66 C 19.26 -7.68 O 13.16 -13.98 O 18.05 -8.38 O 15.61 -12.59 C 10.69 -16.75 C 20.47 -5.57 C 13.16 -12.59 C 18.05 -9.79 C 15.61 -9.79 C 16.84 -11.91 C 14.39 -10.50 C 14.39 -11.91 C 16.84 -10.50 1 19 1 2 19 1 3 20 1 4 20 1 5 23 2 6 14 1 6 19 2 7 15 1 7 20 2 8 11 1 8 12 2 9 10 2 9 13 1 10 21 1 11 22 2 12 24 1 13 25 2 14 16 1 15 17 1 16 21 1 17 22 1 18 24 1 18 26 1 21 26 2 22 27 1 23 25 1 23 27 1 24 27 2 25 26 1', '27 29 C:18 9.49 -16.04 C:26 10.69 -18.15 C:26 20.47 -4.16 C:18 21.68 -6.27 O 15.61 -8.38 C:119 11.94 -16.04 C:119 19.26 -6.27 C:135 19.26 -11.91 C:123 12.01 -10.50 C:117 12.01 -11.91 C:107 19.26 -10.50 C:110 18.05 -12.59 C:118 13.16 -9.79 C:66 11.94 -14.66 C:66 19.26 -7.68 O 13.16 -13.98 O 18.05 -8.38 O 15.61 -12.59 C:139 10.69 -16.75 C:138 20.47 -5.57 C:147 13.16 -12.59 C:160 18.05 -9.79 C:176 15.61 -9.79 C:158 16.84 -11.91 C:124 14.39 -10.50 C:146 14.39 -11.91 C:113 16.84 -10.50 1 19 1 2 19 1 3 20 1 4 20 1 5 23 2 6 14 1 6 19 2 7 15 1 7 20 2 8 11 1 8 12 2 9 10 2 9 13 1 10 21 1 11 22 2 12 24 1 13 25 2 14 16 1 15 17 1 16 21 1 17 22 1 18 24 1 18 26 1 21 26 2 22 27 1 23 25 1 23 27 1 24 27 2 25 26 1', 'C23H24O4', 364.244, 'C', 'ph69_1013_2', 1355, '', '', '1', 35, NULL, NULL),
(7532, 'Polyanxanthone C', '', 'Aromatics', 'Xanthones', '', '[CH3:5005][C:5003]([CH3:5004])=[CH:5002][CH2:5001]O[c:5]2[cH:6][cH:7][cH:8][c:8001]3[c:9](=O)[c:9001]1[c:1](O[CH2:1001][CH:1002]=[C:1003]([CH3:1005])[CH3:1004])[c:2]([CH2:2001][CH:2002]=[C:2003]([CH3:2004])[CH3:2005])[cH:3][cH:4][c:4001]1o[c:10001]23', 'CC(C)=CCOc2cccc3c(=O)c1c(OCC=C(C)C)c(CC=C(C)C)ccc1oc23', '[CH3:18][C:139]([CH3:26])=[CH:119][CH2:66]O[c:147]2[cH:117][cH:123][cH:118][c:124]3[c:176](=O)[c:116]1[c:156](O[CH2:72][CH:121]=[C:138]([CH3:26])[CH3:18])[c:131]([CH2:28][CH:123]=[C:133]([CH3:26])[CH3:18])[cH:135][cH:114][c:156]1o[c:146]23', '32 34 C:5005 8.26 -16.03 C:5004 9.45 -18.14 C:1005 19.24 -4.17 C:1004 20.46 -6.29 C:2004 22.89 -10.41 C:2005 21.67 -8.33 O 14.40 -8.38 C:5002 10.70 -16.05 C:1002 18.04 -6.29 C:2002 20.46 -10.45 C:7 10.77 -10.48 C:6 10.77 -11.89 C:3 18.04 -11.89 C:8 11.94 -9.79 C:4 16.83 -12.57 C:5001 10.70 -14.66 C:1001 18.04 -7.69 C:2001 19.24 -9.76 O 11.94 -13.98 O 16.83 -8.39 O 14.40 -12.57 C:5003 9.45 -16.74 C:1003 19.24 -5.59 C:2003 21.67 -9.73 C:2 18.04 -10.48 C:5 11.94 -12.57 C:1 16.83 -9.79 C:9 14.40 -9.79 C:4001 15.63 -11.89 C:8001 13.18 -10.48 C:10001 13.18 -11.89 C:9001 15.63 -10.48 1 22 1 2 22 1 3 23 1 4 23 1 5 24 1 6 24 1 7 28 2 8 16 1 8 22 2 9 17 1 9 23 2 10 18 1 10 24 2 11 12 2 11 14 1 12 26 1 13 15 2 13 25 1 14 30 2 15 29 1 16 19 1 17 20 1 18 25 1 19 26 1 20 27 1 21 29 1 21 31 1 25 27 2 26 31 2 27 32 1 28 30 1 28 32 1 29 32 2 30 31 1', '32 34 C 8.26 -16.03 C 9.45 -18.14 C 19.24 -4.17 C 20.46 -6.29 C 22.89 -10.41 C 21.67 -8.33 O 14.40 -8.38 C 10.70 -16.05 C 18.04 -6.29 C 20.46 -10.45 C 10.77 -10.48 C 10.77 -11.89 C 18.04 -11.89 C 11.94 -9.79 C 16.83 -12.57 C 10.70 -14.66 C 18.04 -7.69 C 19.24 -9.76 O 11.94 -13.98 O 16.83 -8.39 O 14.40 -12.57 C 9.45 -16.74 C 19.24 -5.59 C 21.67 -9.73 C 18.04 -10.48 C 11.94 -12.57 C 16.83 -9.79 C 14.40 -9.79 C 15.63 -11.89 C 13.18 -10.48 C 13.18 -11.89 C 15.63 -10.48 1 22 1 2 22 1 3 23 1 4 23 1 5 24 1 6 24 1 7 28 2 8 16 1 8 22 2 9 17 1 9 23 2 10 18 1 10 24 2 11 12 2 11 14 1 12 26 1 13 15 2 13 25 1 14 30 2 15 29 1 16 19 1 17 20 1 18 25 1 19 26 1 20 27 1 21 29 1 21 31 1 25 27 2 26 31 2 27 32 1 28 30 1 28 32 1 29 32 2 30 31 1', '32 34 C:18 8.26 -16.03 C:26 9.45 -18.14 C:26 19.24 -4.17 C:18 20.46 -6.29 C:26 22.89 -10.41 C:18 21.67 -8.33 O 14.40 -8.38 C:119 10.70 -16.05 C:121 18.04 -6.29 C:123 20.46 -10.45 C:123 10.77 -10.48 C:117 10.77 -11.89 C:135 18.04 -11.89 C:118 11.94 -9.79 C:114 16.83 -12.57 C:66 10.70 -14.66 C:72 18.04 -7.69 C:28 19.24 -9.76 O 11.94 -13.98 O 16.83 -8.39 O 14.40 -12.57 C:139 9.45 -16.74 C:138 19.24 -5.59 C:133 21.67 -9.73 C:131 18.04 -10.48 C:147 11.94 -12.57 C:156 16.83 -9.79 C:176 14.40 -9.79 C:156 15.63 -11.89 C:124 13.18 -10.48 C:146 13.18 -11.89 C:116 15.63 -10.48 1 22 1 2 22 1 3 23 1 4 23 1 5 24 1 6 24 1 7 28 2 8 16 1 8 22 2 9 17 1 9 23 2 10 18 1 10 24 2 11 12 2 11 14 1 12 26 1 13 15 2 13 25 1 14 30 2 15 29 1 16 19 1 17 20 1 18 25 1 19 26 1 20 27 1 21 29 1 21 31 1 25 27 2 26 31 2 27 32 1 28 30 1 28 32 1 29 32 2 30 31 1', 'C28H32O4', 432.297, 'C', 'ph69_1013_3', 1355, '', '', '1', 35, NULL, NULL),
(7533, '', '1,3,6-Trihydroxy-2,5,7-trimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[c:2](O[CH3:2001])[c:3](O)[cH:4][c:4001]1o[c:10001]2[c:5](O[CH3:5001])[c:6]3O', 'COc3cc2c(=O)c1c(O)c(OC)c(O)cc1oc2c(OC)c3O', '[CH3:56]O[c:146]3[cH:99][c:111]2[c:179](=O)[c:102]1[c:154](O)[c:131](O[CH3:60])[c:158](O)[cH:94][c:152]1o[c:146]2[c:135](O[CH3:61])[c:147]3O', '24 26 C:7001 10.12 -8.02 C:2001 21.03 -10.12 C:5001 11.25 -14.32 O 14.95 -8.03 O 19.81 -12.26 O 10.12 -12.27 O 17.40 -8.04 C:4 17.40 -12.23 C:8 12.47 -9.44 O 10.12 -9.42 O 19.81 -9.43 O 12.47 -13.64 O 14.95 -12.23 C:3 18.61 -11.54 C:7 11.32 -10.14 C:6 11.32 -11.54 C:1 17.40 -9.44 C:2 18.61 -10.14 C:5 12.47 -12.23 C:9 14.95 -9.44 C:4001 16.18 -11.54 C:8001 13.73 -10.14 C:10001 13.73 -11.54 C:9001 16.18 -10.14 1 10 1 2 11 1 3 12 1 4 20 2 5 14 1 6 16 1 7 17 1 8 14 2 8 21 1 9 15 1 9 22 2 10 15 1 11 18 1 12 19 1 13 21 1 13 23 1 14 18 1 15 16 2 16 19 1 17 18 2 17 24 1 19 23 2 20 22 1 20 24 1 21 24 2 22 23 1', '24 26 C 10.12 -8.02 C 21.03 -10.12 C 11.25 -14.32 O 14.95 -8.03 O 19.81 -12.26 O 10.12 -12.27 O 17.40 -8.04 C 17.40 -12.23 C 12.47 -9.44 O 10.12 -9.42 O 19.81 -9.43 O 12.47 -13.64 O 14.95 -12.23 C 18.61 -11.54 C 11.32 -10.14 C 11.32 -11.54 C 17.40 -9.44 C 18.61 -10.14 C 12.47 -12.23 C 14.95 -9.44 C 16.18 -11.54 C 13.73 -10.14 C 13.73 -11.54 C 16.18 -10.14 1 10 1 2 11 1 3 12 1 4 20 2 5 14 1 6 16 1 7 17 1 8 14 2 8 21 1 9 15 1 9 22 2 10 15 1 11 18 1 12 19 1 13 21 1 13 23 1 14 18 1 15 16 2 16 19 1 17 18 2 17 24 1 19 23 2 20 22 1 20 24 1 21 24 2 22 23 1', '24 26 C:56 10.12 -8.02 C:60 21.03 -10.12 C:61 11.25 -14.32 O 14.95 -8.03 O 19.81 -12.26 O 10.12 -12.27 O 17.40 -8.04 C:94 17.40 -12.23 C:99 12.47 -9.44 O 10.12 -9.42 O 19.81 -9.43 O 12.47 -13.64 O 14.95 -12.23 C:158 18.61 -11.54 C:146 11.32 -10.14 C:147 11.32 -11.54 C:154 17.40 -9.44 C:131 18.61 -10.14 C:135 12.47 -12.23 C:179 14.95 -9.44 C:152 16.18 -11.54 C:111 13.73 -10.14 C:146 13.73 -11.54 C:102 16.18 -10.14 1 10 1 2 11 1 3 12 1 4 20 2 5 14 1 6 16 1 7 17 1 8 14 2 8 21 1 9 15 1 9 22 2 10 15 1 11 18 1 12 19 1 13 21 1 13 23 1 14 18 1 15 16 2 16 19 1 17 18 2 17 24 1 19 23 2 20 22 1 20 24 1 21 24 2 22 23 1', 'C16H14O8', 334.166, 'D', 'ph69_1279_1', 611, '', '', '1', 35, 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
(7534, '', '7,3''-Dihydroxy-5,4'',5''-trimethoxyisoflavone', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:105001]O[c:105]3[cH:106][c:101]([c:3]2[cH:2]o[c:9]1[cH:8][c:7](O)[cH:6][c:5](O[CH3:5001])[c:10]1[c:4]2=O)[cH:102][c:103](O)[c:104]3O[CH3:104001]', 'COc3cc(c2coc1cc(O)cc(OC)c1c2=O)cc(O)c3OC', '[CH3:56]O[c:153]3[cH:105][c:128]([c:125]2[cH:151]o[c:159]1[cH:95][c:162](O)[cH:97][c:161](O[CH3:56])[c:108]1[c:174]2=O)[cH:110][c:150](O)[c:136]3O[CH3:60]', '25 27 C:105001 17.34 -14.65 C:5001 11.29 -12.55 C:104001 21.00 -13.96 O 14.94 -11.86 O 10.11 -7.66 O 21.00 -9.76 C:2 16.15 -8.36 C:102 18.56 -9.76 C:6 11.29 -9.76 C:106 17.34 -11.86 C:8 12.51 -7.66 O 18.56 -13.96 O 12.51 -11.86 O 21.00 -12.56 O 14.94 -7.66 C:7 11.29 -8.36 C:103 19.78 -10.46 C:101 17.34 -10.46 C:105 18.56 -12.56 C:5 12.51 -10.46 C:3 16.15 -9.76 C:104 19.78 -11.86 C:4 14.94 -10.46 C:9 13.74 -8.36 C:10 13.74 -9.76 1 12 1 2 13 1 3 14 1 4 23 2 5 16 1 6 17 1 7 15 1 7 21 2 8 17 2 8 18 1 9 16 2 9 20 1 10 18 2 10 19 1 11 16 1 11 24 2 12 19 1 13 20 1 14 22 1 15 24 1 17 22 1 18 21 1 19 22 2 20 25 2 21 23 1 23 25 1 24 25 1', '25 27 C 17.34 -14.65 C 11.29 -12.55 C 21.00 -13.96 O 14.94 -11.86 O 10.11 -7.66 O 21.00 -9.76 C 16.15 -8.36 C 18.56 -9.76 C 11.29 -9.76 C 17.34 -11.86 C 12.51 -7.66 O 18.56 -13.96 O 12.51 -11.86 O 21.00 -12.56 O 14.94 -7.66 C 11.29 -8.36 C 19.78 -10.46 C 17.34 -10.46 C 18.56 -12.56 C 12.51 -10.46 C 16.15 -9.76 C 19.78 -11.86 C 14.94 -10.46 C 13.74 -8.36 C 13.74 -9.76 1 12 1 2 13 1 3 14 1 4 23 2 5 16 1 6 17 1 7 15 1 7 21 2 8 17 2 8 18 1 9 16 2 9 20 1 10 18 2 10 19 1 11 16 1 11 24 2 12 19 1 13 20 1 14 22 1 15 24 1 17 22 1 18 21 1 19 22 2 20 25 2 21 23 1 23 25 1 24 25 1', '25 27 C:56 17.34 -14.65 C:56 11.29 -12.55 C:60 21.00 -13.96 O 14.94 -11.86 O 10.11 -7.66 O 21.00 -9.76 C:151 16.15 -8.36 C:110 18.56 -9.76 C:97 11.29 -9.76 C:105 17.34 -11.86 C:95 12.51 -7.66 O 18.56 -13.96 O 12.51 -11.86 O 21.00 -12.56 O 14.94 -7.66 C:162 11.29 -8.36 C:150 19.78 -10.46 C:128 17.34 -10.46 C:153 18.56 -12.56 C:161 12.51 -10.46 C:125 16.15 -9.76 C:136 19.78 -11.86 C:174 14.94 -10.46 C:159 13.74 -8.36 C:108 13.74 -9.76 1 12 1 2 13 1 3 14 1 4 23 2 5 16 1 6 17 1 7 15 1 7 21 2 8 17 2 8 18 1 9 16 2 9 20 1 10 18 2 10 19 1 11 16 1 11 24 2 12 19 1 13 20 1 14 22 1 15 24 1 17 22 1 18 21 1 19 22 2 20 25 2 21 23 1 23 25 1 24 25 1', 'C18H16O7', 344.188, 'D', 'ph69_1279_2', 611, '', '', '1', 35, NULL, NULL),
(7535, 'Toralactone-9-O-b-D-glucopyranoside', '', 'Isochromans', 'Isocoumarins', 'Benzoisocoumarins', '[CH3:7001]O[c:7]4[cH:8][c:9](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[c:9001]3[c:10](O)[c:10001]2[c:1](=O)o[c:3]([CH3:11])[cH:4][c:4001]2[cH:5][c:5001]3[cH:6]4', 'COc4cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c3c(O)c2c(=O)oc(C)cc2cc3c4', '[CH3:56]O[c:161]4[cH:102][c:158](O[C@@H:101]1O[C@H:76]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:73]1O)[c:109]3[c:163](O)[c:99]2[c:167](=O)o[c:153]([CH3:19])[cH:104][c:133]2[cH:112][c:142]3[cH:101]4', '31 34 C:7001 10.76 -15.05 C:11 21.66 -15.70 O 19.25 -11.49 O 13.01 -6.59 O 16.82 -11.49 O 9.44 -8.78 O 9.50 -11.60 O 11.94 -12.95 C:8 13.19 -13.60 C:4 19.25 -15.68 C:6 14.38 -15.68 C:5 16.82 -15.68 C:106 11.86 -7.33 O 11.99 -15.72 O 14.38 -11.49 O 13.12 -9.40 O 20.45 -13.60 C:3 20.45 -15.00 C:7 13.19 -15.00 C:9 14.38 -12.90 C:10 16.82 -12.90 C:1 19.25 -12.90 C:5001 15.60 -15.00 C:4001 18.05 -15.00 C:9001 15.60 -13.60 C:10001 18.05 -13.60 C:105 11.86 -8.73 C:104 10.70 -9.46 C:103 10.70 -10.87 C:102 11.94 -11.54 C:101 13.12 -10.81 1 14 1 2 18 1 3 22 2 4 13 1 5 21 1 28 6 -2 29 7 -1 30 8 -2 9 19 2 9 20 1 10 18 2 10 24 1 11 19 1 11 23 2 12 23 1 12 24 2 27 13 -1 14 19 1 15 20 1 31 15 -1 16 27 1 16 31 1 17 18 1 17 22 1 20 25 2 21 25 1 21 26 2 22 26 1 23 25 1 24 26 1 27 28 1 28 29 1 29 30 1 30 31 1', '31 34 C 10.76 -15.05 C 21.66 -15.70 O 19.25 -11.49 O 13.01 -6.59 O 16.82 -11.49 O 9.44 -8.78 O 9.50 -11.60 O 11.94 -12.95 C 13.19 -13.60 C 19.25 -15.68 C 14.38 -15.68 C 16.82 -15.68 C 11.86 -7.33 O 11.99 -15.72 O 14.38 -11.49 O 13.12 -9.40 O 20.45 -13.60 C 20.45 -15.00 C 13.19 -15.00 C 14.38 -12.90 C 16.82 -12.90 C 19.25 -12.90 C 15.60 -15.00 C 18.05 -15.00 C 15.60 -13.60 C 18.05 -13.60 C 11.86 -8.73 C 10.70 -9.46 C 10.70 -10.87 C 11.94 -11.54 C 13.12 -10.81 1 14 1 2 18 1 3 22 2 4 13 1 5 21 1 28 6 -2 29 7 -1 30 8 -2 9 19 2 9 20 1 10 18 2 10 24 1 11 19 1 11 23 2 12 23 1 12 24 2 27 13 -1 14 19 1 15 20 1 31 15 -1 16 27 1 16 31 1 17 18 1 17 22 1 20 25 2 21 25 1 21 26 2 22 26 1 23 25 1 24 26 1 27 28 1 28 29 1 29 30 1 30 31 1', '31 34 C:56 10.76 -15.05 C:19 21.66 -15.70 O 19.25 -11.49 O 13.01 -6.59 O 16.82 -11.49 O 9.44 -8.78 O 9.50 -11.60 O 11.94 -12.95 C:102 13.19 -13.60 C:104 19.25 -15.68 C:101 14.38 -15.68 C:112 16.82 -15.68 C:61 11.86 -7.33 O 11.99 -15.72 O 14.38 -11.49 O 13.12 -9.40 O 20.45 -13.60 C:153 20.45 -15.00 C:161 13.19 -15.00 C:158 14.38 -12.90 C:163 16.82 -12.90 C:167 19.25 -12.90 C:142 15.60 -15.00 C:133 18.05 -15.00 C:109 15.60 -13.60 C:99 18.05 -13.60 C:76 11.86 -8.73 C:70 10.70 -9.46 C:77 10.70 -10.87 C:73 11.94 -11.54 C:101 13.12 -10.81 1 14 1 2 18 1 3 22 2 4 13 1 5 21 1 28 6 -2 29 7 -1 30 8 -2 9 19 2 9 20 1 10 18 2 10 24 1 11 19 1 11 23 2 12 23 1 12 24 2 27 13 -1 14 19 1 15 20 1 31 15 -1 16 27 1 16 31 1 17 18 1 17 22 1 20 25 2 21 25 1 21 26 2 22 26 1 23 25 1 24 26 1 27 28 1 28 29 1 29 30 1 30 31 1', 'C21H22O10', 434.219, 'D', 'ph69_1279_3', 611, '', '', '1', 35, NULL, NULL),
(7536, 'Patuletin-3-O-[2-O-E-feruloyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyranoside]', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:403001]O[c:403]6[cH:402][c:401]([CH:407]=[CH:408][C:409](=O)O[C@@H:302]1[C@@H:303](O)[C@H:304](O)[C@@H:305]([CH2:306]O)O[C@H:301]1O[CH2:206][C@H:205]5O[C@@H:201](O[c:3]4[c:2]([c:101]2[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]2)o[c:9]3[cH:8][c:7](O)[c:6](O[CH3:6001])[c:5](O)[c:10]3[c:4]4=O)[C@H:202](O)[C@@H:203](O)[C@@H:204]5O)[cH:406][cH:405][c:404]6O', 'COc6cc(C=CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]5O[C@@H](Oc4c(c2ccc(O)c(O)c2)oc3cc(O)c(OC)c(O)c3c4=O)[C@H](O)[C@@H](O)[C@@H]5O)ccc6O', 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(7537, 'Patuletin-3-O-[b-D-glucopyranosyl-(1--> 3)-2-O-Ecaffeoyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyrano', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:6001]O[c:6]7[c:7](O)[cH:8][c:9]6o[c:2]([c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)[c:3](O[C@@H:201]5O[C@H:205]([CH2:206]O[C@@H:301]3O[C@H:305]([CH2:306]O)[C@@H:304](O)[C@H:303](O[C@@H:401]2O[C@H:405]([CH2:406]O)[C@@H:404](O)[C@H:403](O)[C@H:402]2O)[C@H:302]3O[C:509](=O)[CH:508]=[CH:507][c:501]4[cH:506][cH:505][c:504](O)[c:503](O)[cH:502]4)[C@@H:204](O)[C@H:203](O)[C@H:202]5O)[c:4](=O)[c:10]6[c:5]7O', 'COc7c(O)cc6oc(c1ccc(O)c(O)c1)c(O[C@@H]5O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3OC(=O)C=Cc4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]5O)c(=O)c6c7O', 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(7548, 'Desacetylmatricarin', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:5]12[C:4]([CH3:15])=[CH:3][C:2](=O)[C:1]1=[C:10]([CH3:14])[CH2:9][C@H:8](O)[C@@:7]3([H])[C@H:11]([CH3:13])[C:12](=O)O[C@:6]23[H]', '[H][C@]12C(C)=CC(=O)C1=C(C)C[C@H](O)[C@@]3([H])[C@H](C)C(=O)O[C@]23[H]', '[H][C@:52]12[C:170]([CH3:20])=[CH:136][C:195](=O)[C:133]1=[C:145]([CH3:22])[CH2:49][C@H:70](O)[C@@:62]3([H])[C@H:41]([CH3:16])[C:177](=O)O[C@:81]23[H]', '22 24 H 14.20 -11.59 H 15.68 -10.86 H 16.53 -10.83 C:14 16.11 -7.02 C:15 11.99 -11.76 C:13 18.60 -13.56 O 13.55 -6.91 O 16.11 -15.38 O 19.16 -10.84 C:3 12.40 -9.21 C:9 17.46 -9.14 O 14.94 -13.10 C:10 16.11 -8.49 C:4 12.88 -10.56 C:2 13.55 -8.31 C:12 16.11 -13.92 C:1 14.78 -9.14 C:11 17.28 -13.10 C:8 17.78 -10.56 C:5 14.46 -10.56 C:6 15.39 -11.73 C:7 16.86 -11.73 20 1 -2 21 2 -1 22 3 -2 4 13 1 5 14 1 18 6 -2 7 15 2 8 16 2 19 9 -2 10 14 2 10 15 1 11 13 1 11 19 1 12 16 1 12 21 1 13 17 2 14 20 1 15 17 1 16 18 1 17 20 1 18 22 1 19 22 1 20 21 1 21 22 1', '22 24 H 14.20 -11.59 H 15.68 -10.86 H 16.53 -10.83 C 16.11 -7.02 C 11.99 -11.76 C 18.60 -13.56 O 13.55 -6.91 O 16.11 -15.38 O 19.16 -10.84 C 12.40 -9.21 C 17.46 -9.14 O 14.94 -13.10 C 16.11 -8.49 C 12.88 -10.56 C 13.55 -8.31 C 16.11 -13.92 C 14.78 -9.14 C 17.28 -13.10 C 17.78 -10.56 C 14.46 -10.56 C 15.39 -11.73 C 16.86 -11.73 20 1 -2 21 2 -1 22 3 -2 4 13 1 5 14 1 18 6 -2 7 15 2 8 16 2 19 9 -2 10 14 2 10 15 1 11 13 1 11 19 1 12 16 1 12 21 1 13 17 2 14 20 1 15 17 1 16 18 1 17 20 1 18 22 1 19 22 1 20 21 1 21 22 1', '22 24 H 14.20 -11.59 H 15.68 -10.86 H 16.53 -10.83 C:22 16.11 -7.02 C:20 11.99 -11.76 C:16 18.60 -13.56 O 13.55 -6.91 O 16.11 -15.38 O 19.16 -10.84 C:136 12.40 -9.21 C:49 17.46 -9.14 O 14.94 -13.10 C:145 16.11 -8.49 C:170 12.88 -10.56 C:195 13.55 -8.31 C:177 16.11 -13.92 C:133 14.78 -9.14 C:41 17.28 -13.10 C:70 17.78 -10.56 C:52 14.46 -10.56 C:81 15.39 -11.73 C:62 16.86 -11.73 20 1 -2 21 2 -1 22 3 -2 4 13 1 5 14 1 18 6 -2 7 15 2 8 16 2 19 9 -2 10 14 2 10 15 1 11 13 1 11 19 1 12 16 1 12 21 1 13 17 2 14 20 1 15 17 1 16 18 1 17 20 1 18 22 1 19 22 1 20 21 1 21 22 1', 'C15H18O4', 262.182, 'C', 'np02_481_6', 2457, '', '', '1', 35, NULL, NULL),
(7549, 'Tanparthin-alpha-peroxide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]34[CH2:8][CH2:9][C@@:10]([CH3:14])(O)[C@@:1]12[CH:2]=[CH:3][C@@:4]([CH3:15])(OO1)[C@:5]2([H])[C@@:6]3([H])O[C:12](=O)[C:11]4=[CH2:13]', '[H][C@@]34CC[C@@](C)(O)[C@@]12C=C[C@@](C)(OO1)[C@]2([H])[C@@]3([H])OC(=O)C4=C', '[H][C@@:43]34[CH2:23][CH2:33][C@@:71]([CH3:28])(O)[C@@:100]12[CH:134]=[CH:137][C@@:94]([CH3:14])(OO1)[C@:70]2([H])[C@@:80]3([H])O[C:170](=O)[C:140]4=[CH2:119]', '23 26 H 17.02 -10.69 H 16.23 -10.72 H 14.86 -11.39 C:13 18.99 -13.21 C:14 17.25 -7.39 C:15 12.80 -11.55 O 16.62 -14.92 O 15.96 -7.41 C:3 13.16 -9.19 C:2 14.25 -8.35 C:8 18.18 -10.44 C:9 17.87 -9.12 O 12.17 -9.00 O 14.18 -7.53 O 15.55 -12.80 C:11 17.71 -12.80 C:12 16.62 -13.57 C:7 17.31 -11.51 C:10 16.62 -8.52 C:6 15.95 -11.51 C:4 13.62 -10.46 C:5 15.09 -10.44 C:1 15.39 -9.12 18 1 -2 20 2 -1 22 3 -2 4 16 2 19 5 -1 21 6 -1 7 17 2 19 8 -2 9 10 2 9 21 1 10 23 1 11 12 1 11 18 1 12 19 1 13 14 1 13 21 1 23 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 23 1 20 22 1 21 22 1 22 23 1', '23 26 H 17.02 -10.69 H 16.23 -10.72 H 14.86 -11.39 C 18.99 -13.21 C 17.25 -7.39 C 12.80 -11.55 O 16.62 -14.92 O 15.96 -7.41 C 13.16 -9.19 C 14.25 -8.35 C 18.18 -10.44 C 17.87 -9.12 O 12.17 -9.00 O 14.18 -7.53 O 15.55 -12.80 C 17.71 -12.80 C 16.62 -13.57 C 17.31 -11.51 C 16.62 -8.52 C 15.95 -11.51 C 13.62 -10.46 C 15.09 -10.44 C 15.39 -9.12 18 1 -2 20 2 -1 22 3 -2 4 16 2 19 5 -1 21 6 -1 7 17 2 19 8 -2 9 10 2 9 21 1 10 23 1 11 12 1 11 18 1 12 19 1 13 14 1 13 21 1 23 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 23 1 20 22 1 21 22 1 22 23 1', '23 26 H 17.02 -10.69 H 16.23 -10.72 H 14.86 -11.39 C:119 18.99 -13.21 C:28 17.25 -7.39 C:14 12.80 -11.55 O 16.62 -14.92 O 15.96 -7.41 C:137 13.16 -9.19 C:134 14.25 -8.35 C:23 18.18 -10.44 C:33 17.87 -9.12 O 12.17 -9.00 O 14.18 -7.53 O 15.55 -12.80 C:140 17.71 -12.80 C:170 16.62 -13.57 C:43 17.31 -11.51 C:71 16.62 -8.52 C:80 15.95 -11.51 C:94 13.62 -10.46 C:70 15.09 -10.44 C:100 15.39 -9.12 18 1 -2 20 2 -1 22 3 -2 4 16 2 19 5 -1 21 6 -1 7 17 2 19 8 -2 9 10 2 9 21 1 10 23 1 11 12 1 11 18 1 12 19 1 13 14 1 13 21 1 23 14 -2 15 17 1 15 20 1 16 17 1 16 18 1 18 20 1 19 23 1 20 22 1 21 22 1 22 23 1', 'C15H18O5', 278.181, 'C', 'np02_481_7', 2457, '', '', '1', 35, 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
(7568, 'Ferupennin C', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:7]23[CH2:8][CH2:9][C:10]([CH3:14])=[C:1]1[C:2](=O)[CH:3]=[C:4]([CH3:15])[C@@:5]1([H])[C@:6]2([H])O[C:12](=O)[C@@:11]3([CH3:13])O[C:11001]([CH3:11002])=O', '[H][C@@]23CCC(C)=C1C(=O)C=C(C)[C@@]1([H])[C@]2([H])OC(=O)[C@@]3(C)OC(C)=O', '[H][C@@:50]23[CH2:65][CH2:49][C:146]([CH3:21])=[C:129]1[C:196](=O)[CH:136]=[C:170]([CH3:21])[C@@:48]1([H])[C@:79]2([H])O[C:174](=O)[C@@:78]3([CH3:20])O[C:170]([CH3:22])=O', '25 27 H 15.88 -10.82 H 15.04 -10.85 H 13.56 -11.59 C:11002 19.82 -14.99 C:15 11.34 -11.77 C:14 15.46 -7.02 C:13 17.99 -12.83 O 19.37 -12.60 O 12.89 -6.93 O 15.46 -15.40 C:3 11.74 -9.21 C:9 16.81 -9.14 C:8 17.14 -10.55 O 17.54 -14.17 O 14.30 -13.10 C:11001 18.91 -13.92 C:4 12.22 -10.55 C:10 15.46 -8.49 C:2 12.89 -8.31 C:12 15.46 -13.93 C:1 14.14 -9.14 C:7 16.20 -11.73 C:6 14.74 -11.73 C:5 13.81 -10.55 C:11 16.63 -13.10 22 1 -2 23 2 -2 24 3 -1 4 16 1 5 17 1 6 18 1 25 7 -1 8 16 2 9 19 2 10 20 2 11 17 2 11 19 1 12 13 1 12 18 1 13 22 1 14 16 1 25 14 -2 15 20 1 15 23 1 17 24 1 18 21 2 19 21 1 20 25 1 21 24 1 22 23 1 22 25 1 23 24 1', '25 27 H 15.88 -10.82 H 15.04 -10.85 H 13.56 -11.59 C 19.82 -14.99 C 11.34 -11.77 C 15.46 -7.02 C 17.99 -12.83 O 19.37 -12.60 O 12.89 -6.93 O 15.46 -15.40 C 11.74 -9.21 C 16.81 -9.14 C 17.14 -10.55 O 17.54 -14.17 O 14.30 -13.10 C 18.91 -13.92 C 12.22 -10.55 C 15.46 -8.49 C 12.89 -8.31 C 15.46 -13.93 C 14.14 -9.14 C 16.20 -11.73 C 14.74 -11.73 C 13.81 -10.55 C 16.63 -13.10 22 1 -2 23 2 -2 24 3 -1 4 16 1 5 17 1 6 18 1 25 7 -1 8 16 2 9 19 2 10 20 2 11 17 2 11 19 1 12 13 1 12 18 1 13 22 1 14 16 1 25 14 -2 15 20 1 15 23 1 17 24 1 18 21 2 19 21 1 20 25 1 21 24 1 22 23 1 22 25 1 23 24 1', '25 27 H 15.88 -10.82 H 15.04 -10.85 H 13.56 -11.59 C:22 19.82 -14.99 C:21 11.34 -11.77 C:21 15.46 -7.02 C:20 17.99 -12.83 O 19.37 -12.60 O 12.89 -6.93 O 15.46 -15.40 C:136 11.74 -9.21 C:49 16.81 -9.14 C:65 17.14 -10.55 O 17.54 -14.17 O 14.30 -13.10 C:170 18.91 -13.92 C:170 12.22 -10.55 C:146 15.46 -8.49 C:196 12.89 -8.31 C:174 15.46 -13.93 C:129 14.14 -9.14 C:50 16.20 -11.73 C:79 14.74 -11.73 C:48 13.81 -10.55 C:78 16.63 -13.10 22 1 -2 23 2 -2 24 3 -1 4 16 1 5 17 1 6 18 1 25 7 -1 8 16 2 9 19 2 10 20 2 11 17 2 11 19 1 12 13 1 12 18 1 13 22 1 14 16 1 25 14 -2 15 20 1 15 23 1 17 24 1 18 21 2 19 21 1 20 25 1 21 24 1 22 23 1 22 25 1 23 24 1', 'C17H20O5', 304.203, 'C', 'np02_1897_3', 2050, '', '', '1', 35, NULL, NULL),
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(7584, '', '((4S*,5S*)-dihydro-5-[(1R*,2S*)-2-hydroxy-2-methyl-5-oxo-3-cyclopenten-1-yl]-3-methylene-4-(3-oxobutyl)-2(3H)-furanone)', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:6]2([C@@:5]1([H])[C:1](=O)[CH:2]=[CH:3][C@:4]1([CH3:15])O)O[C:11](=O)[C:12](=[CH2:13])[C@@H:7]2[CH2:8][CH2:9][C:10]([CH3:14])=O', '[H][C@]2([C@@]1([H])C(=O)C=C[C@]1(C)O)OC(=O)C(=C)[C@@H]2CCC(C)=O', '[H][C@:79]2([C@@:60]1([H])[C:203](=O)[CH:133]=[CH:166][C@:79]1([CH3:25])O)O[C:170](=O)[C:138](=[CH2:122])[C@@H:42]2[CH2:26][CH2:40][C:208]([CH3:30])=O', '22 23 H 14.60 -10.02 H 13.19 -10.86 C:13 17.60 -12.84 C:14 20.34 -9.00 C:15 11.92 -11.29 O 18.34 -7.57 O 15.32 -8.05 O 15.07 -14.67 O 10.76 -10.44 C:2 12.79 -7.65 C:3 11.62 -8.49 C:9 18.06 -10.01 C:8 16.63 -9.86 O 13.91 -12.39 C:10 18.91 -8.85 C:12 16.23 -12.39 C:1 13.95 -8.49 C:11 15.07 -13.24 C:7 15.79 -11.02 C:4 12.07 -9.86 C:6 14.35 -11.02 C:5 13.51 -9.86 21 1 -1 22 2 -1 3 16 2 4 15 1 20 5 -2 6 15 2 7 17 2 8 18 2 20 9 -1 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', '22 23 H 14.60 -10.02 H 13.19 -10.86 C 17.60 -12.84 C 20.34 -9.00 C 11.92 -11.29 O 18.34 -7.57 O 15.32 -8.05 O 15.07 -14.67 O 10.76 -10.44 C 12.79 -7.65 C 11.62 -8.49 C 18.06 -10.01 C 16.63 -9.86 O 13.91 -12.39 C 18.91 -8.85 C 16.23 -12.39 C 13.95 -8.49 C 15.07 -13.24 C 15.79 -11.02 C 12.07 -9.86 C 14.35 -11.02 C 13.51 -9.86 21 1 -1 22 2 -1 3 16 2 4 15 1 20 5 -2 6 15 2 7 17 2 8 18 2 20 9 -1 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', '22 23 H 14.60 -10.02 H 13.19 -10.86 C:122 17.60 -12.84 C:30 20.34 -9.00 C:25 11.92 -11.29 O 18.34 -7.57 O 15.32 -8.05 O 15.07 -14.67 O 10.76 -10.44 C:133 12.79 -7.65 C:166 11.62 -8.49 C:40 18.06 -10.01 C:26 16.63 -9.86 O 13.91 -12.39 C:208 18.91 -8.85 C:138 16.23 -12.39 C:203 13.95 -8.49 C:170 15.07 -13.24 C:42 15.79 -11.02 C:79 12.07 -9.86 C:79 14.35 -11.02 C:60 13.51 -9.86 21 1 -1 22 2 -1 3 16 2 4 15 1 20 5 -2 6 15 2 7 17 2 8 18 2 20 9 -1 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', 'C15H18O5', 278.173, 'C', 'np03_538_1', 1106, '', '', '1', 35, NULL, NULL),
(7585, 'Secotanapartholide A', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:6]2([C@:5]1([H])[C:1](=O)[CH:2]=[CH:3][C@@:4]1([CH3:15])O)O[C:11](=O)[C:12](=[CH2:13])[C@@H:7]2[CH2:8][CH2:9][C:10]([CH3:14])=O', '[H][C@]2([C@]1([H])C(=O)C=C[C@@]1(C)O)OC(=O)C(=C)[C@@H]2CCC(C)=O', '[H][C@:80]2([C@:63]1([H])[C:202](=O)[CH:131]=[CH:167][C@@:79]1([CH3:25])O)O[C:170](=O)[C:138](=[CH2:125])[C@@H:52]2[CH2:29][CH2:40][C:208]([CH3:30])=O', '22 23 H 14.69 -10.08 H 13.13 -10.79 C:13 17.64 -12.83 C:14 20.38 -8.99 C:15 11.96 -11.28 O 18.39 -7.56 O 15.36 -8.03 O 15.12 -14.67 O 10.79 -10.44 C:2 12.82 -7.64 C:3 11.66 -8.49 C:9 18.10 -10.00 C:8 16.68 -9.85 O 13.94 -12.39 C:10 18.95 -8.84 C:12 16.28 -12.39 C:1 13.99 -8.49 C:11 15.12 -13.23 C:7 15.84 -11.02 C:4 12.10 -9.85 C:6 14.39 -11.02 C:5 13.54 -9.85 21 1 -1 22 2 -2 3 16 2 4 15 1 20 5 -1 6 15 2 7 17 2 8 18 2 20 9 -2 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', '22 23 H 14.69 -10.08 H 13.13 -10.79 C 17.64 -12.83 C 20.38 -8.99 C 11.96 -11.28 O 18.39 -7.56 O 15.36 -8.03 O 15.12 -14.67 O 10.79 -10.44 C 12.82 -7.64 C 11.66 -8.49 C 18.10 -10.00 C 16.68 -9.85 O 13.94 -12.39 C 18.95 -8.84 C 16.28 -12.39 C 13.99 -8.49 C 15.12 -13.23 C 15.84 -11.02 C 12.10 -9.85 C 14.39 -11.02 C 13.54 -9.85 21 1 -1 22 2 -2 3 16 2 4 15 1 20 5 -1 6 15 2 7 17 2 8 18 2 20 9 -2 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', '22 23 H 14.69 -10.08 H 13.13 -10.79 C:125 17.64 -12.83 C:30 20.38 -8.99 C:25 11.96 -11.28 O 18.39 -7.56 O 15.36 -8.03 O 15.12 -14.67 O 10.79 -10.44 C:131 12.82 -7.64 C:167 11.66 -8.49 C:40 18.10 -10.00 C:29 16.68 -9.85 O 13.94 -12.39 C:208 18.95 -8.84 C:138 16.28 -12.39 C:202 13.99 -8.49 C:170 15.12 -13.23 C:52 15.84 -11.02 C:79 12.10 -9.85 C:80 14.39 -11.02 C:63 13.54 -9.85 21 1 -1 22 2 -2 3 16 2 4 15 1 20 5 -1 6 15 2 7 17 2 8 18 2 20 9 -2 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', 'C15H18O5', 278.173, 'C', 'np03_538_2', 1106, '', '', '1', 35, 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
(7586, 'secotanapartholide B', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:6]2([C@:5]1([H])[C:1](=O)[CH:2]=[CH:3][C@:4]1([CH3:15])O)O[C:11](=O)[C:12](=[CH2:13])[C@@H:7]2[CH2:8][CH2:9][C:10]([CH3:14])=O', '[H][C@]2([C@]1([H])C(=O)C=C[C@]1(C)O)OC(=O)C(=C)[C@@H]2CCC(C)=O', '[H][C@:81]2([C@:58]1([H])[C:205](=O)[CH:133]=[CH:166][C@:78]1([CH3:29])O)O[C:170](=O)[C:138](=[CH2:125])[C@@H:41]2[CH2:29][CH2:40][C:208]([CH3:30])=O', '22 23 H 14.59 -10.07 H 13.18 -10.91 C:13 17.59 -12.88 C:14 20.33 -9.05 C:15 11.92 -11.34 O 18.33 -7.62 O 15.31 -8.10 O 15.06 -14.71 O 10.76 -10.49 C:2 12.78 -7.70 C:3 11.62 -8.54 C:9 18.05 -10.06 C:8 16.62 -9.91 O 13.90 -12.43 C:10 18.90 -8.90 C:12 16.22 -12.43 C:1 13.94 -8.54 C:11 15.06 -13.28 C:7 15.78 -11.07 C:4 12.07 -9.91 C:6 14.34 -11.07 C:5 13.50 -9.91 21 1 -1 22 2 -2 3 16 2 4 15 1 20 5 -2 6 15 2 7 17 2 8 18 2 20 9 -1 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', '22 23 H 14.59 -10.07 H 13.18 -10.91 C 17.59 -12.88 C 20.33 -9.05 C 11.92 -11.34 O 18.33 -7.62 O 15.31 -8.10 O 15.06 -14.71 O 10.76 -10.49 C 12.78 -7.70 C 11.62 -8.54 C 18.05 -10.06 C 16.62 -9.91 O 13.90 -12.43 C 18.90 -8.90 C 16.22 -12.43 C 13.94 -8.54 C 15.06 -13.28 C 15.78 -11.07 C 12.07 -9.91 C 14.34 -11.07 C 13.50 -9.91 21 1 -1 22 2 -2 3 16 2 4 15 1 20 5 -2 6 15 2 7 17 2 8 18 2 20 9 -1 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', '22 23 H 14.59 -10.07 H 13.18 -10.91 C:125 17.59 -12.88 C:30 20.33 -9.05 C:29 11.92 -11.34 O 18.33 -7.62 O 15.31 -8.10 O 15.06 -14.71 O 10.76 -10.49 C:133 12.78 -7.70 C:166 11.62 -8.54 C:40 18.05 -10.06 C:29 16.62 -9.91 O 13.90 -12.43 C:208 18.90 -8.90 C:138 16.22 -12.43 C:205 13.94 -8.54 C:170 15.06 -13.28 C:41 15.78 -11.07 C:78 12.07 -9.91 C:81 14.34 -11.07 C:58 13.50 -9.91 21 1 -1 22 2 -2 3 16 2 4 15 1 20 5 -2 6 15 2 7 17 2 8 18 2 20 9 -1 10 11 2 10 17 1 11 20 1 12 13 1 12 15 1 19 13 -1 14 18 1 14 21 1 16 18 1 16 19 1 17 22 1 19 21 1 20 22 1 21 22 1', 'C15H18O5', 278.173, 'C', 'np03_538_3', 1106, '', '', '1', 35, NULL, NULL),
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