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
(13749, 'Cowagarcinone A', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[c:5]([CH2:201][CH:202]=[C:203]([CH3:204])[CH3:205])[c:10001]2o[c:4001]1[cH:4][c:3](O)[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:301][CH:302]=[C:303]([CH3:303001])[CH2:304][CH2:305][CH:306]=[C:307]([CH3:308])[CH3:309]', 'COc3c(O)c(CC=C(C)C)c2oc1cc(O)c(CC=C(C)C)c(O)c1c(=O)c2c3CC=C(C)CCC=C(C)C', '[CH3:62]O[c:142]3[c:152](O)[c:114]([CH2:23][CH:121]=[C:133]([CH3:18])[CH3:26])[c:154]2o[c:155]1[cH:93][c:162](O)[c:108]([CH2:22][CH:122]=[C:136]([CH3:26])[CH3:18])[c:161](O)[c:104]1[c:182](=O)[c:112]2[c:134]3[CH2:27][CH:124]=[C:135]([CH3:18])[CH2:40][CH2:26][CH:124]=[C:131]([CH3:26])[CH3:16]', '40 42 C:7001 9.98 -12.81 C:308 18.48 -3.71 C:309 16.04 -3.71 C:105 24.54 -12.81 C:104 23.32 -10.71 C:204 13.62 -19.11 C:205 11.20 -19.11 C:303001 13.62 -7.91 O 16.04 -10.71 O 20.90 -14.90 O 11.20 -14.90 O 18.48 -10.71 C:306 17.27 -5.81 C:102 22.11 -12.81 C:202 12.41 -17.00 C:302 14.83 -10.01 C:4 18.48 -14.90 C:305 16.04 -6.51 C:101 20.90 -12.11 C:201 13.62 -16.30 C:301 13.62 -10.71 C:304 16.04 -7.91 O 11.20 -12.11 O 16.04 -14.90 C:307 17.27 -4.41 C:103 23.32 -12.11 C:203 12.41 -18.41 C:303 14.83 -8.61 C:3 19.69 -14.20 C:6 12.41 -14.20 C:1 18.48 -12.11 C:2 19.69 -12.81 C:5 13.62 -14.90 C:8 13.62 -12.11 C:7 12.41 -12.81 C:9 16.04 -12.11 C:4001 17.27 -14.20 C:10001 14.83 -14.20 C:9001 17.27 -12.81 C:8001 14.83 -12.81 1 23 1 2 25 1 3 25 1 4 26 1 5 26 1 6 27 1 7 27 1 8 28 1 9 36 2 10 29 1 11 30 1 12 31 1 13 18 1 13 25 2 14 19 1 14 26 2 15 20 1 15 27 2 16 21 1 16 28 2 17 29 1 17 37 2 18 22 1 19 32 1 20 33 1 21 34 1 22 28 1 23 35 1 24 37 1 24 38 1 29 32 2 30 33 1 30 35 2 31 32 1 31 39 2 33 38 2 34 35 1 34 40 2 36 39 1 36 40 1 37 39 1 38 40 1', '40 42 C 9.98 -12.81 C 18.48 -3.71 C 16.04 -3.71 C 24.54 -12.81 C 23.32 -10.71 C 13.62 -19.11 C 11.20 -19.11 C 13.62 -7.91 O 16.04 -10.71 O 20.90 -14.90 O 11.20 -14.90 O 18.48 -10.71 C 17.27 -5.81 C 22.11 -12.81 C 12.41 -17.00 C 14.83 -10.01 C 18.48 -14.90 C 16.04 -6.51 C 20.90 -12.11 C 13.62 -16.30 C 13.62 -10.71 C 16.04 -7.91 O 11.20 -12.11 O 16.04 -14.90 C 17.27 -4.41 C 23.32 -12.11 C 12.41 -18.41 C 14.83 -8.61 C 19.69 -14.20 C 12.41 -14.20 C 18.48 -12.11 C 19.69 -12.81 C 13.62 -14.90 C 13.62 -12.11 C 12.41 -12.81 C 16.04 -12.11 C 17.27 -14.20 C 14.83 -14.20 C 17.27 -12.81 C 14.83 -12.81 1 23 1 2 25 1 3 25 1 4 26 1 5 26 1 6 27 1 7 27 1 8 28 1 9 36 2 10 29 1 11 30 1 12 31 1 13 18 1 13 25 2 14 19 1 14 26 2 15 20 1 15 27 2 16 21 1 16 28 2 17 29 1 17 37 2 18 22 1 19 32 1 20 33 1 21 34 1 22 28 1 23 35 1 24 37 1 24 38 1 29 32 2 30 33 1 30 35 2 31 32 1 31 39 2 33 38 2 34 35 1 34 40 2 36 39 1 36 40 1 37 39 1 38 40 1', '40 42 C:62 9.98 -12.81 C:26 18.48 -3.71 C:16 16.04 -3.71 C:26 24.54 -12.81 C:18 23.32 -10.71 C:18 13.62 -19.11 C:26 11.20 -19.11 C:18 13.62 -7.91 O 16.04 -10.71 O 20.90 -14.90 O 11.20 -14.90 O 18.48 -10.71 C:124 17.27 -5.81 C:122 22.11 -12.81 C:121 12.41 -17.00 C:124 14.83 -10.01 C:93 18.48 -14.90 C:26 16.04 -6.51 C:22 20.90 -12.11 C:23 13.62 -16.30 C:27 13.62 -10.71 C:40 16.04 -7.91 O 11.20 -12.11 O 16.04 -14.90 C:131 17.27 -4.41 C:136 23.32 -12.11 C:133 12.41 -18.41 C:135 14.83 -8.61 C:162 19.69 -14.20 C:152 12.41 -14.20 C:161 18.48 -12.11 C:108 19.69 -12.81 C:114 13.62 -14.90 C:134 13.62 -12.11 C:142 12.41 -12.81 C:182 16.04 -12.11 C:155 17.27 -14.20 C:154 14.83 -14.20 C:104 17.27 -12.81 C:112 14.83 -12.81 1 23 1 2 25 1 3 25 1 4 26 1 5 26 1 6 27 1 7 27 1 8 28 1 9 36 2 10 29 1 11 30 1 12 31 1 13 18 1 13 25 2 14 19 1 14 26 2 15 20 1 15 27 2 16 21 1 16 28 2 17 29 1 17 37 2 18 22 1 19 32 1 20 33 1 21 34 1 22 28 1 23 35 1 24 37 1 24 38 1 29 32 2 30 33 1 30 35 2 31 32 1 31 39 2 33 38 2 34 35 1 34 40 2 36 39 1 36 40 1 37 39 1 38 40 1', 'C34H42O6', 546.36, 'C', 'ph66_1148_7', 3531, '', '', '1', 47, NULL, NULL),
(13750, 'Cowagarcinone D', '', 'Aromatics', 'Xanthones', '', '[CH3:209][C:208]([CH3:210])=[CH:207][CH2:206][CH2:205][C:203]1([CH3:204])[CH:202]=[CH:201][c:8]3[c:7](O1)[c:6](O)[cH:5][c:10001]4o[c:4001]2[cH:4][c:3](O)[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:1](O)[c:9001]2[c:9](=O)[c:8001]34', 'CC(C)=CCCC1(C)C=Cc3c(O1)c(O)cc4oc2cc(O)c(CC=C(C)C)c(O)c2c(=O)c34', '[CH3:26][C:132]([CH3:18])=[CH:124][CH2:23][CH2:40][C:79]1([CH3:26])[CH:131]=[CH:121][c:120]3[c:137](O1)[c:151](O)[cH:102][c:153]4o[c:155]2[cH:93][c:162](O)[c:108]([CH2:21][CH:121]=[C:136]([CH3:26])[CH3:18])[c:160](O)[c:104]2[c:183](=O)[c:109]34', '34 37 C:209 12.20 -6.32 C:210 13.89 -8.05 C:105 24.62 -14.37 C:104 23.40 -12.30 C:204 9.92 -12.73 O 16.14 -12.37 O 20.95 -16.57 O 11.30 -16.57 O 18.57 -12.37 C:201 13.69 -12.37 C:202 12.49 -11.64 C:207 11.56 -8.65 C:102 22.20 -14.45 C:4 18.57 -16.57 C:5 13.69 -16.57 C:206 11.91 -10.01 C:101 20.95 -13.76 C:205 10.91 -10.99 O 11.30 -13.76 O 16.14 -16.57 C:208 12.49 -7.67 C:103 23.40 -13.70 C:3 19.76 -15.85 C:6 12.49 -15.85 C:1 18.57 -13.76 C:8 13.69 -13.76 C:2 19.76 -14.45 C:7 12.49 -14.45 C:9 16.14 -13.76 C:4001 17.37 -15.85 C:10001 14.92 -15.85 C:9001 17.37 -14.45 C:8001 14.92 -14.45 C:203 11.30 -12.37 1 21 1 2 21 1 3 22 1 4 22 1 5 34 1 6 29 2 7 23 1 8 24 1 9 25 1 10 11 2 10 26 1 11 34 1 12 16 1 12 21 2 13 17 1 13 22 2 14 23 2 14 30 1 15 24 2 15 31 1 16 18 1 17 27 1 18 34 1 19 28 1 19 34 1 20 30 1 20 31 1 23 27 1 24 28 1 25 27 2 25 32 1 26 28 2 26 33 1 29 32 1 29 33 1 30 32 2 31 33 2', '34 37 C 12.20 -6.32 C 13.89 -8.05 C 24.62 -14.37 C 23.40 -12.30 C 9.92 -12.73 O 16.14 -12.37 O 20.95 -16.57 O 11.30 -16.57 O 18.57 -12.37 C 13.69 -12.37 C 12.49 -11.64 C 11.56 -8.65 C 22.20 -14.45 C 18.57 -16.57 C 13.69 -16.57 C 11.91 -10.01 C 20.95 -13.76 C 10.91 -10.99 O 11.30 -13.76 O 16.14 -16.57 C 12.49 -7.67 C 23.40 -13.70 C 19.76 -15.85 C 12.49 -15.85 C 18.57 -13.76 C 13.69 -13.76 C 19.76 -14.45 C 12.49 -14.45 C 16.14 -13.76 C 17.37 -15.85 C 14.92 -15.85 C 17.37 -14.45 C 14.92 -14.45 C 11.30 -12.37 1 21 1 2 21 1 3 22 1 4 22 1 5 34 1 6 29 2 7 23 1 8 24 1 9 25 1 10 11 2 10 26 1 11 34 1 12 16 1 12 21 2 13 17 1 13 22 2 14 23 2 14 30 1 15 24 2 15 31 1 16 18 1 17 27 1 18 34 1 19 28 1 19 34 1 20 30 1 20 31 1 23 27 1 24 28 1 25 27 2 25 32 1 26 28 2 26 33 1 29 32 1 29 33 1 30 32 2 31 33 2', '34 37 C:26 12.20 -6.32 C:18 13.89 -8.05 C:26 24.62 -14.37 C:18 23.40 -12.30 C:26 9.92 -12.73 O 16.14 -12.37 O 20.95 -16.57 O 11.30 -16.57 O 18.57 -12.37 C:121 13.69 -12.37 C:131 12.49 -11.64 C:124 11.56 -8.65 C:121 22.20 -14.45 C:93 18.57 -16.57 C:102 13.69 -16.57 C:23 11.91 -10.01 C:21 20.95 -13.76 C:40 10.91 -10.99 O 11.30 -13.76 O 16.14 -16.57 C:132 12.49 -7.67 C:136 23.40 -13.70 C:162 19.76 -15.85 C:151 12.49 -15.85 C:160 18.57 -13.76 C:120 13.69 -13.76 C:108 19.76 -14.45 C:137 12.49 -14.45 C:183 16.14 -13.76 C:155 17.37 -15.85 C:153 14.92 -15.85 C:104 17.37 -14.45 C:109 14.92 -14.45 C:79 11.30 -12.37 1 21 1 2 21 1 3 22 1 4 22 1 5 34 1 6 29 2 7 23 1 8 24 1 9 25 1 10 11 2 10 26 1 11 34 1 12 16 1 12 21 2 13 17 1 13 22 2 14 23 2 14 30 1 15 24 2 15 31 1 16 18 1 17 27 1 18 34 1 19 28 1 19 34 1 20 30 1 20 31 1 23 27 1 24 28 1 25 27 2 25 32 1 26 28 2 26 33 1 29 32 1 29 33 1 30 32 2 31 33 2', 'C28H30O6', 462.296, 'C', 'ph66_1148_10', 3531, '', '', '1', 47, NULL, NULL),
(13751, 'Cowagarcinone E', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[cH:5][c:10001]2o[c:4001]1[cH:4][c:3](O)[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH2:104]O[C:104001]([CH3:104002])=O)[c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:301][CH:302]=[C:303]([CH3:303001])[CH2:304][CH2:305][CH:306]=[C:307]([CH3:308])[CH3:309]', 'COc3c(O)cc2oc1cc(O)c(CC=C(C)COC(C)=O)c(O)c1c(=O)c2c3CC=C(C)CCC=C(C)C', '[CH3:62]O[c:143]3[c:155](O)[cH:102][c:156]2o[c:155]1[cH:94][c:162](O)[c:108]([CH2:21][CH:129]=[C:131]([CH3:21])[CH2:64]O[C:172]([CH3:21])=O)[c:161](O)[c:103]1[c:182](=O)[c:112]2[c:137]3[CH2:27][CH:123]=[C:136]([CH3:17])[CH2:40][CH2:27][CH:124]=[C:130]([CH3:26])[CH3:18]', '39 41 C:7001 9.36 -14.94 C:308 17.86 -5.84 C:309 15.42 -5.84 C:104002 25.13 -10.04 C:303001 13.00 -10.04 C:105 23.92 -14.94 O 22.70 -10.04 O 15.42 -12.84 O 20.28 -17.03 O 10.58 -17.03 O 17.86 -12.84 C:306 16.65 -7.94 C:302 14.21 -12.14 C:102 21.49 -14.94 C:4 17.86 -17.03 C:5 13.00 -17.03 C:305 15.42 -8.64 C:101 20.28 -14.24 C:301 13.00 -12.84 C:304 15.42 -10.04 C:104 22.70 -12.84 O 10.58 -14.24 O 23.92 -12.14 O 15.42 -17.03 C:307 16.65 -6.54 C:104001 23.92 -10.74 C:303 14.21 -10.74 C:103 22.70 -14.24 C:3 19.07 -16.33 C:6 11.79 -16.33 C:1 17.86 -14.24 C:2 19.07 -14.94 C:8 13.00 -14.24 C:7 11.79 -14.94 C:9 15.42 -14.24 C:4001 16.65 -16.33 C:10001 14.21 -16.33 C:9001 16.65 -14.94 C:8001 14.21 -14.94 1 22 1 2 25 1 3 25 1 4 26 1 5 27 1 6 28 1 7 26 2 8 35 2 9 29 1 10 30 1 11 31 1 12 17 1 12 25 2 13 19 1 13 27 2 14 18 1 14 28 2 15 29 2 15 36 1 16 30 2 16 37 1 17 20 1 18 32 1 19 33 1 20 27 1 21 23 1 21 28 1 22 34 1 23 26 1 24 36 1 24 37 1 29 32 1 30 34 1 31 32 2 31 38 1 33 34 2 33 39 1 35 38 1 35 39 1 36 38 2 37 39 2', '39 41 C 9.36 -14.94 C 17.86 -5.84 C 15.42 -5.84 C 25.13 -10.04 C 13.00 -10.04 C 23.92 -14.94 O 22.70 -10.04 O 15.42 -12.84 O 20.28 -17.03 O 10.58 -17.03 O 17.86 -12.84 C 16.65 -7.94 C 14.21 -12.14 C 21.49 -14.94 C 17.86 -17.03 C 13.00 -17.03 C 15.42 -8.64 C 20.28 -14.24 C 13.00 -12.84 C 15.42 -10.04 C 22.70 -12.84 O 10.58 -14.24 O 23.92 -12.14 O 15.42 -17.03 C 16.65 -6.54 C 23.92 -10.74 C 14.21 -10.74 C 22.70 -14.24 C 19.07 -16.33 C 11.79 -16.33 C 17.86 -14.24 C 19.07 -14.94 C 13.00 -14.24 C 11.79 -14.94 C 15.42 -14.24 C 16.65 -16.33 C 14.21 -16.33 C 16.65 -14.94 C 14.21 -14.94 1 22 1 2 25 1 3 25 1 4 26 1 5 27 1 6 28 1 7 26 2 8 35 2 9 29 1 10 30 1 11 31 1 12 17 1 12 25 2 13 19 1 13 27 2 14 18 1 14 28 2 15 29 2 15 36 1 16 30 2 16 37 1 17 20 1 18 32 1 19 33 1 20 27 1 21 23 1 21 28 1 22 34 1 23 26 1 24 36 1 24 37 1 29 32 1 30 34 1 31 32 2 31 38 1 33 34 2 33 39 1 35 38 1 35 39 1 36 38 2 37 39 2', '39 41 C:62 9.36 -14.94 C:26 17.86 -5.84 C:18 15.42 -5.84 C:21 25.13 -10.04 C:17 13.00 -10.04 C:21 23.92 -14.94 O 22.70 -10.04 O 15.42 -12.84 O 20.28 -17.03 O 10.58 -17.03 O 17.86 -12.84 C:124 16.65 -7.94 C:123 14.21 -12.14 C:129 21.49 -14.94 C:94 17.86 -17.03 C:102 13.00 -17.03 C:27 15.42 -8.64 C:21 20.28 -14.24 C:27 13.00 -12.84 C:40 15.42 -10.04 C:64 22.70 -12.84 O 10.58 -14.24 O 23.92 -12.14 O 15.42 -17.03 C:130 16.65 -6.54 C:172 23.92 -10.74 C:136 14.21 -10.74 C:131 22.70 -14.24 C:162 19.07 -16.33 C:155 11.79 -16.33 C:161 17.86 -14.24 C:108 19.07 -14.94 C:137 13.00 -14.24 C:143 11.79 -14.94 C:182 15.42 -14.24 C:155 16.65 -16.33 C:156 14.21 -16.33 C:103 16.65 -14.94 C:112 14.21 -14.94 1 22 1 2 25 1 3 25 1 4 26 1 5 27 1 6 28 1 7 26 2 8 35 2 9 29 1 10 30 1 11 31 1 12 17 1 12 25 2 13 19 1 13 27 2 14 18 1 14 28 2 15 29 2 15 36 1 16 30 2 16 37 1 17 20 1 18 32 1 19 33 1 20 27 1 21 23 1 21 28 1 22 34 1 23 26 1 24 36 1 24 37 1 29 32 1 30 34 1 31 32 2 31 38 1 33 34 2 33 39 1 35 38 1 35 39 1 36 38 2 37 39 2', 'C31H36O8', 536.327, 'C', 'ph66_1148_11', 3531, '', '', '1', 47, NULL, NULL),
(13752, 'Smeathxanthone A', '2-(3,7-Dimethyl-2,6-octadienyl)-1,3,5,8-tetrahydroxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:109][C:107]([CH3:108])=[CH:106][CH2:105][CH2:104][C:103]([CH3:110])=[CH:102][CH2:101][c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[c:5](O)[cH:6][cH:7][c:8](O)[c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'CC(C)=CCCC(C)=CCc3c(O)cc2oc1c(O)ccc(O)c1c(=O)c2c3O', '[CH3:18][C:132]([CH3:26])=[CH:125][CH2:27][CH2:41][C:136]([CH3:16])=[CH:123][CH2:22][c:103]3[c:165](O)[cH:95][c:157]2o[c:145]1[c:138](O)[cH:124][cH:110][c:154](O)[c:108]1[c:186](=O)[c:103]2[c:161]3O', '29 31 C:109 24.53 -8.61 C:108 25.74 -10.71 C:110 19.67 -8.61 O 12.38 -8.61 O 17.24 -12.79 O 9.92 -14.21 O 9.92 -8.61 O 14.84 -8.61 C:106 23.32 -10.71 C:102 18.46 -10.71 C:6 8.73 -12.10 C:7 8.73 -10.71 C:4 14.84 -12.79 C:105 22.09 -10.01 C:101 17.24 -10.01 C:104 20.88 -10.71 O 12.38 -12.79 C:107 24.53 -10.01 C:103 19.67 -10.01 C:3 16.04 -12.10 C:5 9.92 -12.79 C:8 9.92 -10.01 C:1 14.84 -10.01 C:2 16.04 -10.71 C:9 12.38 -10.01 C:4001 13.62 -12.10 C:10001 11.14 -12.10 C:9001 13.62 -10.71 C:8001 11.14 -10.71 1 18 1 2 18 1 3 19 1 4 25 2 5 20 1 6 21 1 7 22 1 8 23 1 9 14 1 9 18 2 10 15 1 10 19 2 11 12 1 11 21 2 12 22 2 13 20 2 13 26 1 14 16 1 15 24 1 16 19 1 17 26 1 17 27 1 20 24 1 21 27 1 22 29 1 23 24 2 23 28 1 25 28 1 25 29 1 26 28 2 27 29 2', '29 31 C 24.53 -8.61 C 25.74 -10.71 C 19.67 -8.61 O 12.38 -8.61 O 17.24 -12.79 O 9.92 -14.21 O 9.92 -8.61 O 14.84 -8.61 C 23.32 -10.71 C 18.46 -10.71 C 8.73 -12.10 C 8.73 -10.71 C 14.84 -12.79 C 22.09 -10.01 C 17.24 -10.01 C 20.88 -10.71 O 12.38 -12.79 C 24.53 -10.01 C 19.67 -10.01 C 16.04 -12.10 C 9.92 -12.79 C 9.92 -10.01 C 14.84 -10.01 C 16.04 -10.71 C 12.38 -10.01 C 13.62 -12.10 C 11.14 -12.10 C 13.62 -10.71 C 11.14 -10.71 1 18 1 2 18 1 3 19 1 4 25 2 5 20 1 6 21 1 7 22 1 8 23 1 9 14 1 9 18 2 10 15 1 10 19 2 11 12 1 11 21 2 12 22 2 13 20 2 13 26 1 14 16 1 15 24 1 16 19 1 17 26 1 17 27 1 20 24 1 21 27 1 22 29 1 23 24 2 23 28 1 25 28 1 25 29 1 26 28 2 27 29 2', '29 31 C:18 24.53 -8.61 C:26 25.74 -10.71 C:16 19.67 -8.61 O 12.38 -8.61 O 17.24 -12.79 O 9.92 -14.21 O 9.92 -8.61 O 14.84 -8.61 C:125 23.32 -10.71 C:123 18.46 -10.71 C:124 8.73 -12.10 C:110 8.73 -10.71 C:95 14.84 -12.79 C:27 22.09 -10.01 C:22 17.24 -10.01 C:41 20.88 -10.71 O 12.38 -12.79 C:132 24.53 -10.01 C:136 19.67 -10.01 C:165 16.04 -12.10 C:138 9.92 -12.79 C:154 9.92 -10.01 C:161 14.84 -10.01 C:103 16.04 -10.71 C:186 12.38 -10.01 C:157 13.62 -12.10 C:145 11.14 -12.10 C:103 13.62 -10.71 C:108 11.14 -10.71 1 18 1 2 18 1 3 19 1 4 25 2 5 20 1 6 21 1 7 22 1 8 23 1 9 14 1 9 18 2 10 15 1 10 19 2 11 12 1 11 21 2 12 22 2 13 20 2 13 26 1 14 16 1 15 24 1 16 19 1 17 26 1 17 27 1 20 24 1 21 27 1 22 29 1 23 24 2 23 28 1 25 28 1 25 29 1 26 28 2 27 29 2', 'C23H24O6', 396.242, 'A', 'ph66_1713_1', 3532, '', '', '1', 47, NULL, NULL),
(13753, 'Smeathxanthone B', '5,7,10-Trihydroxy-2-methyl-2-(4-methylpent-3-enyl)[2H,6H] pyrano[3,2-b]xanthen-6-one', 'Aromatics', 'Xanthones', '', '[CH3:110][C:108]([CH3:109])=[CH:107][CH2:106][CH2:105][C:103]4([CH3:104])[CH:102]=[CH:101][c:2]3[c:1](O)[c:9001]2[c:9](=O)[c:8001]1[c:8](O)[cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]2[cH:4][c:3]3O4', 'CC(C)=CCCC4(C)C=Cc3c(O)c2c(=O)c1c(O)ccc(O)c1oc2cc3O4', '[CH3:18][C:132]([CH3:26])=[CH:125][CH2:23][CH2:42][C:82]4([CH3:27])[CH:128]=[CH:116][c:105]3[c:163](O)[c:103]2[c:186](=O)[c:108]1[c:154](O)[cH:111][cH:125][c:138](O)[c:144]1o[c:158]2[cH:96][c:158]3O4', '29 32 C:110 18.80 -14.50 C:109 20.53 -16.20 C:104 22.75 -9.77 O 15.36 -6.64 O 12.91 -12.24 O 12.91 -6.64 O 17.79 -6.64 C:101 20.16 -8.04 C:102 21.40 -8.75 C:107 21.15 -13.85 C:6 11.73 -10.15 C:7 11.73 -8.75 C:4 17.79 -10.84 C:106 20.78 -12.50 C:105 21.77 -11.51 O 20.16 -10.84 O 15.36 -10.84 C:108 20.16 -14.85 C:5 12.91 -10.84 C:8 12.91 -8.04 C:1 17.79 -8.04 C:3 18.98 -10.15 C:2 18.98 -8.75 C:9 15.36 -8.04 C:4001 16.59 -10.15 C:10001 14.15 -10.15 C:8001 14.15 -8.75 C:9001 16.59 -8.75 C:103 21.40 -10.15 1 18 1 2 18 1 3 29 1 4 24 2 5 19 1 6 20 1 7 21 1 8 9 2 8 23 1 9 29 1 10 14 1 10 18 2 11 12 1 11 19 2 12 20 2 13 22 2 13 25 1 14 15 1 15 29 1 16 22 1 16 29 1 17 25 1 17 26 1 19 26 1 20 27 1 21 23 2 21 28 1 22 23 1 24 27 1 24 28 1 25 28 2 26 27 2', '29 32 C 18.80 -14.50 C 20.53 -16.20 C 22.75 -9.77 O 15.36 -6.64 O 12.91 -12.24 O 12.91 -6.64 O 17.79 -6.64 C 20.16 -8.04 C 21.40 -8.75 C 21.15 -13.85 C 11.73 -10.15 C 11.73 -8.75 C 17.79 -10.84 C 20.78 -12.50 C 21.77 -11.51 O 20.16 -10.84 O 15.36 -10.84 C 20.16 -14.85 C 12.91 -10.84 C 12.91 -8.04 C 17.79 -8.04 C 18.98 -10.15 C 18.98 -8.75 C 15.36 -8.04 C 16.59 -10.15 C 14.15 -10.15 C 14.15 -8.75 C 16.59 -8.75 C 21.40 -10.15 1 18 1 2 18 1 3 29 1 4 24 2 5 19 1 6 20 1 7 21 1 8 9 2 8 23 1 9 29 1 10 14 1 10 18 2 11 12 1 11 19 2 12 20 2 13 22 2 13 25 1 14 15 1 15 29 1 16 22 1 16 29 1 17 25 1 17 26 1 19 26 1 20 27 1 21 23 2 21 28 1 22 23 1 24 27 1 24 28 1 25 28 2 26 27 2', '29 32 C:18 18.80 -14.50 C:26 20.53 -16.20 C:27 22.75 -9.77 O 15.36 -6.64 O 12.91 -12.24 O 12.91 -6.64 O 17.79 -6.64 C:116 20.16 -8.04 C:128 21.40 -8.75 C:125 21.15 -13.85 C:125 11.73 -10.15 C:111 11.73 -8.75 C:96 17.79 -10.84 C:23 20.78 -12.50 C:42 21.77 -11.51 O 20.16 -10.84 O 15.36 -10.84 C:132 20.16 -14.85 C:138 12.91 -10.84 C:154 12.91 -8.04 C:163 17.79 -8.04 C:158 18.98 -10.15 C:105 18.98 -8.75 C:186 15.36 -8.04 C:158 16.59 -10.15 C:144 14.15 -10.15 C:108 14.15 -8.75 C:103 16.59 -8.75 C:82 21.40 -10.15 1 18 1 2 18 1 3 29 1 4 24 2 5 19 1 6 20 1 7 21 1 8 9 2 8 23 1 9 29 1 10 14 1 10 18 2 11 12 1 11 19 2 12 20 2 13 22 2 13 25 1 14 15 1 15 29 1 16 22 1 16 29 1 17 25 1 17 26 1 19 26 1 20 27 1 21 23 2 21 28 1 22 23 1 24 27 1 24 28 1 25 28 2 26 27 2', 'C23H22O6', 394.242, 'A', 'ph66_1713_2', 3532, '', '', '1', 47, NULL, NULL),
(13754, 'Guttiferone I', '', 'Aromatics', 'Benzophenones', '', '[CH3:409][C:407]([CH3:408])=[CH:406][CH2:405][CH2:404][C:403]([CH3:410])=[CH:402][CH2:401][C@:5]23[CH2:203][C@H:202]([CH2:501][CH:502]=[C:503]([CH3:505])[CH3:504])[C@@:201]([CH3:205])([CH3:204])[C@:3]([CH2:301][CH:302]=[C:303]([CH3:305])[CH3:304])([C:2](=O)[C:1]([C:107](=O)[c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)=[C:6]2O)[C:4]3=O', 'CC(C)=CCCC(C)=CC[C@]23C[C@H](CC=C(C)C)[C@@](C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O)C3=O', '[CH3:26][C:132]([CH3:18])=[CH:125][CH2:28][CH2:28][C:139]([CH3:17])=[CH:121][CH2:32][C@:62]23[CH2:41][C@H:41]([CH2:30][CH:125]=[C:134]([CH3:26])[CH3:18])[C@@:48]([CH3:27])([CH3:23])[C@:68]([CH2:27][CH:121]=[C:136]([CH3:26])[CH3:18])([C:195](=O)[C:118]([C:196](=O)[c:130]1[cH:125][cH:115][c:153](O)[c:146](O)[cH:117]1)=[C:195]2O)[C:210]3=O', '44 46 C:409 8.94 -11.29 C:408 10.16 -13.38 C:505 22.03 -18.70 C:504 19.61 -18.70 C:305 25.56 -11.34 C:304 24.33 -13.47 C:410 14.98 -13.38 C:205 21.96 -14.49 C:204 20.81 -15.20 O 18.48 -7.50 O 21.96 -9.30 O 19.61 -13.38 O 17.39 -9.40 O 24.11 -5.48 O 21.84 -4.14 C:406 11.36 -11.29 C:502 20.81 -16.65 C:302 23.13 -11.34 C:402 16.19 -11.29 C:105 22.92 -7.50 C:106 21.84 -8.12 C:102 20.73 -6.19 C:405 12.57 -11.98 C:501 19.61 -15.97 C:401 17.39 -11.98 C:301 21.96 -12.08 C:404 13.77 -11.29 C:203 18.48 -13.87 C:407 10.16 -11.98 C:503 20.81 -18.01 C:303 24.33 -12.08 C:403 14.98 -11.98 C:107 19.61 -8.12 C:2 20.73 -10.05 C:6 18.48 -10.05 C:4 19.61 -11.98 C:1 19.61 -9.40 C:104 22.92 -6.19 C:103 21.84 -5.54 C:101 20.73 -7.50 C:202 19.61 -14.59 C:201 20.73 -13.87 C:5 18.48 -11.34 C:3 20.73 -11.34 1 29 1 2 29 1 3 30 1 4 30 1 5 31 1 6 31 1 7 32 1 42 8 -1 42 9 -2 10 33 2 11 34 2 12 36 2 13 35 1 14 38 1 15 39 1 16 23 1 16 29 2 17 24 1 17 30 2 18 26 1 18 31 2 19 25 1 19 32 2 20 21 1 20 38 2 21 40 2 22 39 2 22 40 1 23 27 1 41 24 -1 43 25 -2 44 26 -2 27 32 1 28 41 1 28 43 1 33 37 1 33 40 1 34 37 1 34 44 1 35 37 2 35 43 1 36 43 1 36 44 1 38 39 1 41 42 1 42 44 1', '44 46 C 8.94 -11.29 C 10.16 -13.38 C 22.03 -18.70 C 19.61 -18.70 C 25.56 -11.34 C 24.33 -13.47 C 14.98 -13.38 C 21.96 -14.49 C 20.81 -15.20 O 18.48 -7.50 O 21.96 -9.30 O 19.61 -13.38 O 17.39 -9.40 O 24.11 -5.48 O 21.84 -4.14 C 11.36 -11.29 C 20.81 -16.65 C 23.13 -11.34 C 16.19 -11.29 C 22.92 -7.50 C 21.84 -8.12 C 20.73 -6.19 C 12.57 -11.98 C 19.61 -15.97 C 17.39 -11.98 C 21.96 -12.08 C 13.77 -11.29 C 18.48 -13.87 C 10.16 -11.98 C 20.81 -18.01 C 24.33 -12.08 C 14.98 -11.98 C 19.61 -8.12 C 20.73 -10.05 C 18.48 -10.05 C 19.61 -11.98 C 19.61 -9.40 C 22.92 -6.19 C 21.84 -5.54 C 20.73 -7.50 C 19.61 -14.59 C 20.73 -13.87 C 18.48 -11.34 C 20.73 -11.34 1 29 1 2 29 1 3 30 1 4 30 1 5 31 1 6 31 1 7 32 1 42 8 -1 42 9 -2 10 33 2 11 34 2 12 36 2 13 35 1 14 38 1 15 39 1 16 23 1 16 29 2 17 24 1 17 30 2 18 26 1 18 31 2 19 25 1 19 32 2 20 21 1 20 38 2 21 40 2 22 39 2 22 40 1 23 27 1 41 24 -1 43 25 -2 44 26 -2 27 32 1 28 41 1 28 43 1 33 37 1 33 40 1 34 37 1 34 44 1 35 37 2 35 43 1 36 43 1 36 44 1 38 39 1 41 42 1 42 44 1', '44 46 C:26 8.94 -11.29 C:18 10.16 -13.38 C:26 22.03 -18.70 C:18 19.61 -18.70 C:26 25.56 -11.34 C:18 24.33 -13.47 C:17 14.98 -13.38 C:27 21.96 -14.49 C:23 20.81 -15.20 O 18.48 -7.50 O 21.96 -9.30 O 19.61 -13.38 O 17.39 -9.40 O 24.11 -5.48 O 21.84 -4.14 C:125 11.36 -11.29 C:125 20.81 -16.65 C:121 23.13 -11.34 C:121 16.19 -11.29 C:115 22.92 -7.50 C:125 21.84 -8.12 C:117 20.73 -6.19 C:28 12.57 -11.98 C:30 19.61 -15.97 C:32 17.39 -11.98 C:27 21.96 -12.08 C:28 13.77 -11.29 C:41 18.48 -13.87 C:132 10.16 -11.98 C:134 20.81 -18.01 C:136 24.33 -12.08 C:139 14.98 -11.98 C:196 19.61 -8.12 C:195 20.73 -10.05 C:195 18.48 -10.05 C:210 19.61 -11.98 C:118 19.61 -9.40 C:153 22.92 -6.19 C:146 21.84 -5.54 C:130 20.73 -7.50 C:41 19.61 -14.59 C:48 20.73 -13.87 C:62 18.48 -11.34 C:68 20.73 -11.34 1 29 1 2 29 1 3 30 1 4 30 1 5 31 1 6 31 1 7 32 1 42 8 -1 42 9 -2 10 33 2 11 34 2 12 36 2 13 35 1 14 38 1 15 39 1 16 23 1 16 29 2 17 24 1 17 30 2 18 26 1 18 31 2 19 25 1 19 32 2 20 21 1 20 38 2 21 40 2 22 39 2 22 40 1 23 27 1 41 24 -1 43 25 -2 44 26 -2 27 32 1 28 41 1 28 43 1 33 37 1 33 40 1 34 37 1 34 44 1 35 37 2 35 43 1 36 43 1 36 44 1 38 39 1 41 42 1 42 44 1', 'C38H50O6', 602.403, 'M', 'ph66_1718_1', 3493, '', '', '1', 47, NULL, NULL),
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(13762, '3-Hydroxyblancoxanthone', '', 'Aromatics', 'Xanthones', '', '[CH2:103]=[CH:102][C:101]([CH3:104])([CH3:105])[c:5]3[c:6]1O[C:203]([CH3:205])([CH3:204])[CH:202]=[CH:201][c:7]1[c:8](O)[c:8001]4[c:9](=O)[c:9001]2[cH:1][cH:2][c:3](O)[c:4](O)[c:4001]2o[c:10001]34', 'C=CC(C)(C)c3c1OC(C)(C)C=Cc1c(O)c4c(=O)c2ccc(O)c(O)c2oc34', '[CH2:107]=[CH:152][C:41]([CH3:29])([CH3:29])[c:114]3[c:159]1O[C:78]([CH3:27])([CH3:27])[CH:127]=[CH:116][c:105]1[c:155](O)[c:113]4[c:181](=O)[c:103]2[cH:116][cH:113][c:151](O)[c:133](O)[c:146]2o[c:157]34', '29 32 C:103 14.86 -15.27 C:205 12.06 -12.43 C:204 11.10 -10.74 C:104 14.86 -13.87 C:105 17.29 -13.87 O 18.51 -7.59 O 23.38 -11.78 O 20.98 -13.17 O 16.09 -7.59 C:102 16.09 -14.57 C:201 13.66 -8.99 C:202 12.44 -9.69 C:2 22.18 -9.69 C:1 20.98 -8.99 O 13.66 -11.78 O 18.51 -11.78 C:3 22.18 -11.10 C:4 20.98 -11.78 C:8 16.09 -8.99 C:7 14.86 -9.69 C:6 14.86 -11.10 C:5 16.09 -11.78 C:9 18.51 -8.99 C:9001 19.75 -9.69 C:4001 19.75 -11.10 C:10001 17.29 -11.10 C:8001 17.29 -9.69 C:203 12.44 -11.10 C:101 16.09 -13.17 1 10 2 2 28 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 29 1 11 12 2 11 20 1 12 28 1 13 14 2 13 17 1 14 24 1 15 21 1 15 28 1 16 25 1 16 26 1 17 18 2 18 25 1 19 20 2 19 27 1 20 21 1 21 22 2 22 26 1 22 29 1 23 24 1 23 27 1 24 25 2 26 27 2', '29 32 C 14.86 -15.27 C 12.06 -12.43 C 11.10 -10.74 C 14.86 -13.87 C 17.29 -13.87 O 18.51 -7.59 O 23.38 -11.78 O 20.98 -13.17 O 16.09 -7.59 C 16.09 -14.57 C 13.66 -8.99 C 12.44 -9.69 C 22.18 -9.69 C 20.98 -8.99 O 13.66 -11.78 O 18.51 -11.78 C 22.18 -11.10 C 20.98 -11.78 C 16.09 -8.99 C 14.86 -9.69 C 14.86 -11.10 C 16.09 -11.78 C 18.51 -8.99 C 19.75 -9.69 C 19.75 -11.10 C 17.29 -11.10 C 17.29 -9.69 C 12.44 -11.10 C 16.09 -13.17 1 10 2 2 28 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 29 1 11 12 2 11 20 1 12 28 1 13 14 2 13 17 1 14 24 1 15 21 1 15 28 1 16 25 1 16 26 1 17 18 2 18 25 1 19 20 2 19 27 1 20 21 1 21 22 2 22 26 1 22 29 1 23 24 1 23 27 1 24 25 2 26 27 2', '29 32 C:107 14.86 -15.27 C:27 12.06 -12.43 C:27 11.10 -10.74 C:29 14.86 -13.87 C:29 17.29 -13.87 O 18.51 -7.59 O 23.38 -11.78 O 20.98 -13.17 O 16.09 -7.59 C:152 16.09 -14.57 C:116 13.66 -8.99 C:127 12.44 -9.69 C:113 22.18 -9.69 C:116 20.98 -8.99 O 13.66 -11.78 O 18.51 -11.78 C:151 22.18 -11.10 C:133 20.98 -11.78 C:155 16.09 -8.99 C:105 14.86 -9.69 C:159 14.86 -11.10 C:114 16.09 -11.78 C:181 18.51 -8.99 C:103 19.75 -9.69 C:146 19.75 -11.10 C:157 17.29 -11.10 C:113 17.29 -9.69 C:78 12.44 -11.10 C:41 16.09 -13.17 1 10 2 2 28 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 29 1 11 12 2 11 20 1 12 28 1 13 14 2 13 17 1 14 24 1 15 21 1 15 28 1 16 25 1 16 26 1 17 18 2 18 25 1 19 20 2 19 27 1 20 21 1 21 22 2 22 26 1 22 29 1 23 24 1 23 27 1 24 25 2 26 27 2', 'C23H22O6', 394.242, 'C', 'cpb05_244_3', 4355, '', '', '1', 47, NULL, NULL),
(13763, 'Hanburinone', '', 'Aromatics', 'Xanthones', '', '[H][C@@:7]16[CH2:401][CH:402]2[C@:403]([CH3:405])([CH3:404])O[C@:5]([CH2:301][CH:302]=[C:303]([CH3:305])[C:304](=O)O)([C:6]1=O)[C@@:10001]25O[c:4001]4[c:4]([CH2:201][CH:202](O)[C:203]([CH3:205])([CH3:204])O)[c:3]3O[C@@:103]([CH3:105])([CH3:104])[CH:102]=[CH:101][c:2]3[c:1](O)[c:9001]4[C:9](=O)[C@@:8001]5([H])[C@@H:8]6O[CH3:501]', '[H][C@@]16CC2[C@](C)(C)O[C@](CC=C(C)C(=O)O)(C1=O)[C@@]25Oc4c(CC(O)C(C)(C)O)c3O[C@@](C)(C)C=Cc3c(O)c4C(=O)[C@@]5([H])[C@@H]6OC', '[H][C@@:45]16[CH2:20][CH:44]2[C@:82]([CH3:28])([CH3:30])O[C@:86]([CH2:28][CH:133]=[C:131]([CH3:21])[C:171](=O)O)([C:208]1=O)[C@@:88]25O[c:157]4[c:105]([CH2:26][CH:78](O)[C:74]([CH3:29])([CH3:29])O)[c:161]3O[C@@:79]([CH3:29])([CH3:29])[CH:126]=[CH:115][c:103]3[c:157](O)[c:102]4[C:194](=O)[C@@:48]5([H])[C@@H:75]6O[CH3:56]', '47 52 H 11.90 -8.92 H 15.09 -8.31 C:501 12.58 -6.51 C:305 13.80 -16.35 C:105 23.81 -10.41 C:104 22.75 -12.11 C:205 21.25 -15.65 C:204 18.80 -15.65 C:405 11.21 -13.79 C:404 10.67 -11.97 O 16.65 -13.89 O 16.29 -7.19 O 11.68 -11.27 O 16.65 -16.35 O 18.80 -7.19 O 21.25 -12.82 O 20.03 -16.35 C:302 13.80 -13.89 C:101 21.25 -8.60 C:102 22.42 -9.32 C:301 14.52 -12.65 C:201 18.80 -12.82 C:401 13.96 -9.69 O 13.80 -7.19 O 21.25 -11.42 O 16.29 -11.42 O 13.26 -12.71 C:303 14.52 -15.14 C:304 15.95 -15.14 C:9 16.29 -8.60 C:6 12.68 -10.75 C:1 18.80 -8.60 C:2 19.98 -9.32 C:4 18.80 -11.42 C:3 19.98 -10.75 C:4001 17.56 -10.75 C:9001 17.56 -9.32 C:202 20.03 -13.52 C:402 13.71 -10.65 C:8 13.80 -8.60 C:103 22.42 -10.75 C:203 20.03 -14.95 C:403 11.90 -12.56 C:7 12.68 -9.32 C:8001 15.09 -9.32 C:5 13.80 -11.42 C:10001 15.09 -10.75 44 1 -1 45 2 -1 3 24 1 4 28 1 41 5 -1 41 6 -2 7 42 1 8 42 1 43 9 -2 43 10 -1 11 29 2 12 30 2 13 31 2 14 29 1 15 32 1 16 38 1 17 42 1 18 21 1 18 28 2 19 20 2 19 33 1 20 41 1 46 21 -1 22 34 1 22 38 1 23 39 1 23 44 1 40 24 -1 25 35 1 25 41 1 26 36 1 26 47 1 27 43 1 27 46 1 28 29 1 30 37 1 30 45 1 31 44 1 31 46 1 32 33 2 32 37 1 33 35 1 34 35 2 34 36 1 36 37 2 38 42 1 39 43 1 47 39 -2 40 44 1 40 45 1 45 47 1 46 47 1', '47 52 H 11.90 -8.92 H 15.09 -8.31 C 12.58 -6.51 C 13.80 -16.35 C 23.81 -10.41 C 22.75 -12.11 C 21.25 -15.65 C 18.80 -15.65 C 11.21 -13.79 C 10.67 -11.97 O 16.65 -13.89 O 16.29 -7.19 O 11.68 -11.27 O 16.65 -16.35 O 18.80 -7.19 O 21.25 -12.82 O 20.03 -16.35 C 13.80 -13.89 C 21.25 -8.60 C 22.42 -9.32 C 14.52 -12.65 C 18.80 -12.82 C 13.96 -9.69 O 13.80 -7.19 O 21.25 -11.42 O 16.29 -11.42 O 13.26 -12.71 C 14.52 -15.14 C 15.95 -15.14 C 16.29 -8.60 C 12.68 -10.75 C 18.80 -8.60 C 19.98 -9.32 C 18.80 -11.42 C 19.98 -10.75 C 17.56 -10.75 C 17.56 -9.32 C 20.03 -13.52 C 13.71 -10.65 C 13.80 -8.60 C 22.42 -10.75 C 20.03 -14.95 C 11.90 -12.56 C 12.68 -9.32 C 15.09 -9.32 C 13.80 -11.42 C 15.09 -10.75 44 1 -1 45 2 -1 3 24 1 4 28 1 41 5 -1 41 6 -2 7 42 1 8 42 1 43 9 -2 43 10 -1 11 29 2 12 30 2 13 31 2 14 29 1 15 32 1 16 38 1 17 42 1 18 21 1 18 28 2 19 20 2 19 33 1 20 41 1 46 21 -1 22 34 1 22 38 1 23 39 1 23 44 1 40 24 -1 25 35 1 25 41 1 26 36 1 26 47 1 27 43 1 27 46 1 28 29 1 30 37 1 30 45 1 31 44 1 31 46 1 32 33 2 32 37 1 33 35 1 34 35 2 34 36 1 36 37 2 38 42 1 39 43 1 47 39 -2 40 44 1 40 45 1 45 47 1 46 47 1', '47 52 H 11.90 -8.92 H 15.09 -8.31 C:56 12.58 -6.51 C:21 13.80 -16.35 C:29 23.81 -10.41 C:29 22.75 -12.11 C:29 21.25 -15.65 C:29 18.80 -15.65 C:28 11.21 -13.79 C:30 10.67 -11.97 O 16.65 -13.89 O 16.29 -7.19 O 11.68 -11.27 O 16.65 -16.35 O 18.80 -7.19 O 21.25 -12.82 O 20.03 -16.35 C:133 13.80 -13.89 C:115 21.25 -8.60 C:126 22.42 -9.32 C:28 14.52 -12.65 C:26 18.80 -12.82 C:20 13.96 -9.69 O 13.80 -7.19 O 21.25 -11.42 O 16.29 -11.42 O 13.26 -12.71 C:131 14.52 -15.14 C:171 15.95 -15.14 C:194 16.29 -8.60 C:208 12.68 -10.75 C:157 18.80 -8.60 C:103 19.98 -9.32 C:105 18.80 -11.42 C:161 19.98 -10.75 C:157 17.56 -10.75 C:102 17.56 -9.32 C:78 20.03 -13.52 C:44 13.71 -10.65 C:75 13.80 -8.60 C:79 22.42 -10.75 C:74 20.03 -14.95 C:82 11.90 -12.56 C:45 12.68 -9.32 C:48 15.09 -9.32 C:86 13.80 -11.42 C:88 15.09 -10.75 44 1 -1 45 2 -1 3 24 1 4 28 1 41 5 -1 41 6 -2 7 42 1 8 42 1 43 9 -2 43 10 -1 11 29 2 12 30 2 13 31 2 14 29 1 15 32 1 16 38 1 17 42 1 18 21 1 18 28 2 19 20 2 19 33 1 20 41 1 46 21 -1 22 34 1 22 38 1 23 39 1 23 44 1 40 24 -1 25 35 1 25 41 1 26 36 1 26 47 1 27 43 1 27 46 1 28 29 1 30 37 1 30 45 1 31 44 1 31 46 1 32 33 2 32 37 1 33 35 1 34 35 2 34 36 1 36 37 2 38 42 1 39 43 1 47 39 -2 40 44 1 40 45 1 45 47 1 46 47 1', 'C34H42O11', 626.373, 'C', 'cpb05_850_1', 3536, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13764, 'Allanxanthone C', '1,2-Dihydro-3,6,8-trihydroxy-1,1,7-tri(3-methylbut-2-enyl)xanthen-2,9-dione', 'Aromatics', 'Xanthones', '', '[CH3:305][C:303]([CH3:304])=[CH:302][CH2:301][c:7]3[c:6](O)[cH:5][c:10001]2o[c:4001]1[CH:4]=[C:3](O)[C:2](=O)[C:1]([CH2:201][CH:202]=[C:203]([CH3:204])[CH3:205])([CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105])[c:9001]1[c:9](=O)[c:8001]2[c:8]3O', 'CC(C)=CCc3c(O)cc2oc1C=C(O)C(=O)C(CC=C(C)C)(CC=C(C)C)c1c(=O)c2c3O', '[CH3:26][C:132]([CH3:18])=[CH:123][CH2:22][c:9999]3[c:162](O)[cH:9999][c:154]2o[c:154]1[CH:9999]=[C:160](O)[C:201](=O)[C:57]([CH2:38][CH:119]=[C:135]([CH3:18])[CH3:26])([CH2:38][CH:119]=[C:135]([CH3:18])[CH3:26])[c:9999]1[c:180](=O)[c:9999]2[c:161]3O', '34 36 C:305 11.75 -8.65 C:304 10.56 -10.78 C:204 23.89 -10.05 C:205 22.67 -7.94 C:104 16.61 -10.05 C:105 17.82 -7.94 O 22.67 -12.12 O 17.82 -10.72 O 22.67 -14.94 O 13.03 -14.94 O 15.39 -10.72 C:302 13.03 -10.72 C:202 21.47 -10.05 C:102 19.04 -10.05 C:4 20.26 -14.94 C:5 15.39 -14.94 C:301 13.03 -12.12 C:201 21.47 -11.44 C:101 19.04 -11.44 O 17.82 -14.94 C:303 11.75 -10.05 C:203 22.67 -9.34 C:103 17.82 -9.34 C:3 21.47 -14.24 C:2 21.47 -12.84 C:6 14.22 -14.24 C:4001 19.04 -14.24 C:8 15.39 -12.12 C:7 14.22 -12.84 C:9001 19.04 -12.84 C:9 17.82 -12.12 C:10001 16.61 -14.24 C:8001 16.61 -12.84 C:1 20.26 -12.12 1 21 1 2 21 1 3 22 1 4 22 1 5 23 1 6 23 1 7 25 2 8 31 2 9 24 1 10 26 1 11 28 1 12 17 1 12 21 2 13 18 1 13 22 2 14 19 1 14 23 2 15 24 2 15 27 1 16 26 2 16 32 1 17 29 1 18 34 1 19 34 1 20 27 1 20 32 1 24 25 1 25 34 1 26 29 1 27 30 2 28 29 2 28 33 1 30 31 1 30 34 1 31 33 1 32 33 2', '34 36 C 11.75 -8.65 C 10.56 -10.78 C 23.89 -10.05 C 22.67 -7.94 C 16.61 -10.05 C 17.82 -7.94 O 22.67 -12.12 O 17.82 -10.72 O 22.67 -14.94 O 13.03 -14.94 O 15.39 -10.72 C 13.03 -10.72 C 21.47 -10.05 C 19.04 -10.05 C 20.26 -14.94 C 15.39 -14.94 C 13.03 -12.12 C 21.47 -11.44 C 19.04 -11.44 O 17.82 -14.94 C 11.75 -10.05 C 22.67 -9.34 C 17.82 -9.34 C 21.47 -14.24 C 21.47 -12.84 C 14.22 -14.24 C 19.04 -14.24 C 15.39 -12.12 C 14.22 -12.84 C 19.04 -12.84 C 17.82 -12.12 C 16.61 -14.24 C 16.61 -12.84 C 20.26 -12.12 1 21 1 2 21 1 3 22 1 4 22 1 5 23 1 6 23 1 7 25 2 8 31 2 9 24 1 10 26 1 11 28 1 12 17 1 12 21 2 13 18 1 13 22 2 14 19 1 14 23 2 15 24 2 15 27 1 16 26 2 16 32 1 17 29 1 18 34 1 19 34 1 20 27 1 20 32 1 24 25 1 25 34 1 26 29 1 27 30 2 28 29 2 28 33 1 30 31 1 30 34 1 31 33 1 32 33 2', '34 36 C:26 11.75 -8.65 C:18 10.56 -10.78 C:18 23.89 -10.05 C:26 22.67 -7.94 C:18 16.61 -10.05 C:26 17.82 -7.94 O 22.67 -12.12 O 17.82 -10.72 O 22.67 -14.94 O 13.03 -14.94 O 15.39 -10.72 C:123 13.03 -10.72 C:119 21.47 -10.05 C:119 19.04 -10.05 C 20.26 -14.94 C 15.39 -14.94 C:22 13.03 -12.12 C:38 21.47 -11.44 C:38 19.04 -11.44 O 17.82 -14.94 C:132 11.75 -10.05 C:135 22.67 -9.34 C:135 17.82 -9.34 C:160 21.47 -14.24 C:201 21.47 -12.84 C:162 14.22 -14.24 C:154 19.04 -14.24 C:161 15.39 -12.12 C 14.22 -12.84 C 19.04 -12.84 C:180 17.82 -12.12 C:154 16.61 -14.24 C 16.61 -12.84 C:57 20.26 -12.12 1 21 1 2 21 1 3 22 1 4 22 1 5 23 1 6 23 1 7 25 2 8 31 2 9 24 1 10 26 1 11 28 1 12 17 1 12 21 2 13 18 1 13 22 2 14 19 1 14 23 2 15 24 2 15 27 1 16 26 2 16 32 1 17 29 1 18 34 1 19 34 1 20 27 1 20 32 1 24 25 1 25 34 1 26 29 1 27 30 2 28 29 2 28 33 1 30 31 1 30 34 1 31 33 1 32 33 2', 'C28H32O6', 464.296, 'A', 'cpb06_111_1', 3537, '', '', '1', 47, NULL, NULL),
(13765, '', '1,5,6-Trihydroxy-3-methoxy-4-(3-hydroxyl-3-methylbutyl)', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]3[cH:2][c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][c:6](O)[c:5](O)[c:10001]1o[c:4001]2[c:4]3[CH2:101][CH2:102][C:103]([CH3:105])([CH3:104])O', 'COc3cc(O)c2c(=O)c1ccc(O)c(O)c1oc2c3CCC(C)(C)O', '[CH3:56]O[c:163]3[cH:94][c:161](O)[c:102]2[c:181](=O)[c:113]1[cH:116][cH:113][c:152](O)[c:133](O)[c:147]1o[c:154]2[c:109]3[CH2:17][CH2:43][C:69]([CH3:29])([CH3:29])O', '26 28 C:3001 22.08 -12.46 C:105 17.27 -15.27 C:104 19.69 -15.27 O 17.27 -6.86 O 12.42 -11.10 O 19.69 -6.86 O 14.78 -12.46 O 18.48 -15.97 C:7 13.61 -8.97 C:8 14.78 -8.27 C:2 20.90 -8.97 C:101 19.69 -12.46 C:102 18.48 -13.16 O 22.08 -11.10 O 17.27 -11.10 C:6 13.61 -10.38 C:1 19.69 -8.27 C:3 20.90 -10.38 C:5 14.78 -11.10 C:4 19.69 -11.10 C:9 17.27 -8.27 C:8001 16.04 -8.97 C:10001 16.04 -10.38 C:4001 18.48 -10.38 C:9001 18.48 -8.97 C:103 18.48 -14.56 1 14 1 2 26 1 3 26 1 4 21 2 5 16 1 6 17 1 7 19 1 8 26 1 9 10 2 9 16 1 10 22 1 11 17 2 11 18 1 12 13 1 12 20 1 13 26 1 14 18 1 15 23 1 15 24 1 16 19 2 17 25 1 18 20 2 19 23 1 20 24 1 21 22 1 21 25 1 22 23 2 24 25 2', '26 28 C 22.08 -12.46 C 17.27 -15.27 C 19.69 -15.27 O 17.27 -6.86 O 12.42 -11.10 O 19.69 -6.86 O 14.78 -12.46 O 18.48 -15.97 C 13.61 -8.97 C 14.78 -8.27 C 20.90 -8.97 C 19.69 -12.46 C 18.48 -13.16 O 22.08 -11.10 O 17.27 -11.10 C 13.61 -10.38 C 19.69 -8.27 C 20.90 -10.38 C 14.78 -11.10 C 19.69 -11.10 C 17.27 -8.27 C 16.04 -8.97 C 16.04 -10.38 C 18.48 -10.38 C 18.48 -8.97 C 18.48 -14.56 1 14 1 2 26 1 3 26 1 4 21 2 5 16 1 6 17 1 7 19 1 8 26 1 9 10 2 9 16 1 10 22 1 11 17 2 11 18 1 12 13 1 12 20 1 13 26 1 14 18 1 15 23 1 15 24 1 16 19 2 17 25 1 18 20 2 19 23 1 20 24 1 21 22 1 21 25 1 22 23 2 24 25 2', '26 28 C:56 22.08 -12.46 C:29 17.27 -15.27 C:29 19.69 -15.27 O 17.27 -6.86 O 12.42 -11.10 O 19.69 -6.86 O 14.78 -12.46 O 18.48 -15.97 C:113 13.61 -8.97 C:116 14.78 -8.27 C:94 20.90 -8.97 C:17 19.69 -12.46 C:43 18.48 -13.16 O 22.08 -11.10 O 17.27 -11.10 C:152 13.61 -10.38 C:161 19.69 -8.27 C:163 20.90 -10.38 C:133 14.78 -11.10 C:109 19.69 -11.10 C:181 17.27 -8.27 C:113 16.04 -8.97 C:147 16.04 -10.38 C:154 18.48 -10.38 C:102 18.48 -8.97 C:69 18.48 -14.56 1 14 1 2 26 1 3 26 1 4 21 2 5 16 1 6 17 1 7 19 1 8 26 1 9 10 2 9 16 1 10 22 1 11 17 2 11 18 1 12 13 1 12 20 1 13 26 1 14 18 1 15 23 1 15 24 1 16 19 2 17 25 1 18 20 2 19 23 1 20 24 1 21 22 1 21 25 1 22 23 2 24 25 2', 'C19H20O7', 360.199, 'D', 'cpb06_126_1', 3538, '', '', '1', 47, NULL, NULL),
(13766, '', '1,5-Dihydroxy-3-methoxy-6,6-dimethyl-2H-pyrano(2,3:6,7)-4-(3-methylbut-2-enyl)', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]4[cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]2[cH:8][c:7]1[CH:201]=[CH:202][C:203]([CH3:205])([CH3:204])O[c:6]1[c:5](O)[c:10001]2o[c:4001]3[c:4]4[CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105]', 'COc4cc(O)c3c(=O)c2cc1C=CC(C)(C)Oc1c(O)c2oc3c4CC=C(C)C', '[CH3:56]O[c:164]4[cH:94][c:161](O)[c:102]3[c:180](=O)[c:114]2[cH:112][c:118]1[CH:121]=[CH:132][C:78]([CH3:28])([CH3:28])O[c:146]1[c:133](O)[c:146]2o[c:153]3[c:108]4[CH2:21][CH:122]=[C:131]([CH3:18])[CH3:26]', '30 33 C:3001 23.37 -12.89 C:104 20.96 -15.62 C:105 18.52 -15.62 C:205 12.06 -12.10 C:204 11.09 -10.40 O 18.52 -7.26 O 20.96 -7.26 O 16.06 -12.84 C:201 13.65 -8.66 C:202 12.44 -9.35 C:102 19.76 -13.53 C:2 22.17 -9.35 C:8 16.06 -8.66 C:101 20.96 -12.84 O 23.37 -11.45 O 13.65 -11.45 O 18.52 -11.45 C:103 19.76 -14.93 C:1 20.96 -8.66 C:7 14.86 -9.35 C:5 16.06 -11.45 C:3 22.17 -10.76 C:4 20.96 -11.45 C:6 14.86 -10.76 C:9 18.52 -8.66 C:8001 17.27 -9.35 C:10001 17.27 -10.76 C:4001 19.76 -10.76 C:9001 19.76 -9.35 C:203 12.44 -10.76 1 15 1 2 18 1 3 18 1 4 30 1 5 30 1 6 25 2 7 19 1 8 21 1 9 10 2 9 20 1 10 30 1 11 14 1 11 18 2 12 19 2 12 22 1 13 20 2 13 26 1 14 23 1 15 22 1 16 24 1 16 30 1 17 27 1 17 28 1 19 29 1 20 24 1 21 24 2 21 27 1 22 23 2 23 28 1 25 26 1 25 29 1 26 27 2 28 29 2', '30 33 C 23.37 -12.89 C 20.96 -15.62 C 18.52 -15.62 C 12.06 -12.10 C 11.09 -10.40 O 18.52 -7.26 O 20.96 -7.26 O 16.06 -12.84 C 13.65 -8.66 C 12.44 -9.35 C 19.76 -13.53 C 22.17 -9.35 C 16.06 -8.66 C 20.96 -12.84 O 23.37 -11.45 O 13.65 -11.45 O 18.52 -11.45 C 19.76 -14.93 C 20.96 -8.66 C 14.86 -9.35 C 16.06 -11.45 C 22.17 -10.76 C 20.96 -11.45 C 14.86 -10.76 C 18.52 -8.66 C 17.27 -9.35 C 17.27 -10.76 C 19.76 -10.76 C 19.76 -9.35 C 12.44 -10.76 1 15 1 2 18 1 3 18 1 4 30 1 5 30 1 6 25 2 7 19 1 8 21 1 9 10 2 9 20 1 10 30 1 11 14 1 11 18 2 12 19 2 12 22 1 13 20 2 13 26 1 14 23 1 15 22 1 16 24 1 16 30 1 17 27 1 17 28 1 19 29 1 20 24 1 21 24 2 21 27 1 22 23 2 23 28 1 25 26 1 25 29 1 26 27 2 28 29 2', '30 33 C:56 23.37 -12.89 C:18 20.96 -15.62 C:26 18.52 -15.62 C:28 12.06 -12.10 C:28 11.09 -10.40 O 18.52 -7.26 O 20.96 -7.26 O 16.06 -12.84 C:121 13.65 -8.66 C:132 12.44 -9.35 C:122 19.76 -13.53 C:94 22.17 -9.35 C:112 16.06 -8.66 C:21 20.96 -12.84 O 23.37 -11.45 O 13.65 -11.45 O 18.52 -11.45 C:131 19.76 -14.93 C:161 20.96 -8.66 C:118 14.86 -9.35 C:133 16.06 -11.45 C:164 22.17 -10.76 C:108 20.96 -11.45 C:146 14.86 -10.76 C:180 18.52 -8.66 C:114 17.27 -9.35 C:146 17.27 -10.76 C:153 19.76 -10.76 C:102 19.76 -9.35 C:78 12.44 -10.76 1 15 1 2 18 1 3 18 1 4 30 1 5 30 1 6 25 2 7 19 1 8 21 1 9 10 2 9 20 1 10 30 1 11 14 1 11 18 2 12 19 2 12 22 1 13 20 2 13 26 1 14 23 1 15 22 1 16 24 1 16 30 1 17 27 1 17 28 1 19 29 1 20 24 1 21 24 2 21 27 1 22 23 2 23 28 1 25 26 1 25 29 1 26 27 2 28 29 2', 'C24H24O6', 408.253, 'D', 'cpb06_126_2', 3538, '', '', '1', 47, NULL, NULL),
(13767, '', '1,3,5-Trihydroxy-6,6-dimethyl-2H-pyrano(2,3:6,7)', 'Aromatics', 'Xanthones', '', '[CH3:204][C:203]4([CH3:205])[CH:202]=[CH:201][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]3O4', 'CC4(C)C=Cc3cc2c(=O)c1c(O)cc(O)cc1oc2c(O)c3O4', '[CH3:28][C:78]4([CH3:28])[CH:132]=[CH:121][c:118]3[cH:112][c:114]2[c:179](=O)[c:102]1[c:163](O)[cH:98][c:165](O)[cH:94][c:157]1o[c:146]2[c:133](O)[c:146]3O4', '24 27 C:204 11.09 -11.75 C:205 12.06 -13.45 O 18.53 -8.61 O 23.38 -12.80 O 20.97 -8.61 O 16.07 -14.19 C:201 13.65 -10.01 C:202 12.44 -10.70 C:2 22.18 -10.70 C:4 20.97 -12.80 C:8 16.07 -10.01 O 13.65 -12.80 O 18.53 -12.80 C:3 22.18 -12.11 C:7 14.86 -10.70 C:1 20.97 -10.01 C:5 16.07 -12.80 C:6 14.86 -12.11 C:9 18.53 -10.01 C:4001 19.77 -12.11 C:8001 17.28 -10.70 C:10001 17.28 -12.11 C:9001 19.77 -10.70 C:203 12.44 -12.11 1 24 1 2 24 1 3 19 2 4 14 1 5 16 1 6 17 1 7 8 2 7 15 1 8 24 1 9 14 1 9 16 2 10 14 2 10 20 1 11 15 2 11 21 1 12 18 1 12 24 1 13 20 1 13 22 1 15 18 1 16 23 1 17 18 2 17 22 1 19 21 1 19 23 1 20 23 2 21 22 2', '24 27 C 11.09 -11.75 C 12.06 -13.45 O 18.53 -8.61 O 23.38 -12.80 O 20.97 -8.61 O 16.07 -14.19 C 13.65 -10.01 C 12.44 -10.70 C 22.18 -10.70 C 20.97 -12.80 C 16.07 -10.01 O 13.65 -12.80 O 18.53 -12.80 C 22.18 -12.11 C 14.86 -10.70 C 20.97 -10.01 C 16.07 -12.80 C 14.86 -12.11 C 18.53 -10.01 C 19.77 -12.11 C 17.28 -10.70 C 17.28 -12.11 C 19.77 -10.70 C 12.44 -12.11 1 24 1 2 24 1 3 19 2 4 14 1 5 16 1 6 17 1 7 8 2 7 15 1 8 24 1 9 14 1 9 16 2 10 14 2 10 20 1 11 15 2 11 21 1 12 18 1 12 24 1 13 20 1 13 22 1 15 18 1 16 23 1 17 18 2 17 22 1 19 21 1 19 23 1 20 23 2 21 22 2', '24 27 C:28 11.09 -11.75 C:28 12.06 -13.45 O 18.53 -8.61 O 23.38 -12.80 O 20.97 -8.61 O 16.07 -14.19 C:121 13.65 -10.01 C:132 12.44 -10.70 C:98 22.18 -10.70 C:94 20.97 -12.80 C:112 16.07 -10.01 O 13.65 -12.80 O 18.53 -12.80 C:165 22.18 -12.11 C:118 14.86 -10.70 C:163 20.97 -10.01 C:133 16.07 -12.80 C:146 14.86 -12.11 C:179 18.53 -10.01 C:157 19.77 -12.11 C:114 17.28 -10.70 C:146 17.28 -12.11 C:102 19.77 -10.70 C:78 12.44 -12.11 1 24 1 2 24 1 3 19 2 4 14 1 5 16 1 6 17 1 7 8 2 7 15 1 8 24 1 9 14 1 9 16 2 10 14 2 10 20 1 11 15 2 11 21 1 12 18 1 12 24 1 13 20 1 13 22 1 15 18 1 16 23 1 17 18 2 17 22 1 19 21 1 19 23 1 20 23 2 21 22 2', 'C18H14O6', 326.189, 'D', 'cpb06_126_3', 3538, '', '', '1', 47, NULL, NULL),
(13768, 'Dulxanthone A', '', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]3[cH:2][c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][c:6](O)[c:5](O)[c:10001]1o[c:4001]2[c:4]3[CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104]', 'COc3cc(O)c2c(=O)c1ccc(O)c(O)c1oc2c3CC=C(C)C', '[CH3:56]O[c:164]3[cH:94][c:161](O)[c:102]2[c:180](=O)[c:113]1[cH:116][cH:113][c:152](O)[c:133](O)[c:147]1o[c:153]2[c:107]3[CH2:21][CH:122]=[C:131]([CH3:26])[CH3:18]', '25 27 C:3001 22.08 -12.80 C:105 17.26 -15.60 C:104 19.68 -15.60 O 17.26 -7.20 O 12.42 -11.44 O 19.68 -7.20 O 14.77 -12.80 C:102 18.47 -13.49 C:7 13.60 -9.31 C:8 14.77 -8.61 C:2 20.89 -9.31 C:101 19.68 -12.80 O 22.08 -11.44 O 17.26 -11.44 C:103 18.47 -14.89 C:6 13.60 -10.72 C:1 19.68 -8.61 C:5 14.77 -11.44 C:3 20.89 -10.72 C:4 19.68 -11.44 C:9 17.26 -8.61 C:8001 16.03 -9.31 C:10001 16.03 -10.72 C:4001 18.47 -10.72 C:9001 18.47 -9.31 1 13 1 2 15 1 3 15 1 4 21 2 5 16 1 6 17 1 7 18 1 8 12 1 8 15 2 9 10 2 9 16 1 10 22 1 11 17 2 11 19 1 12 20 1 13 19 1 14 23 1 14 24 1 16 18 2 17 25 1 18 23 1 19 20 2 20 24 1 21 22 1 21 25 1 22 23 2 24 25 2', '25 27 C 22.08 -12.80 C 17.26 -15.60 C 19.68 -15.60 O 17.26 -7.20 O 12.42 -11.44 O 19.68 -7.20 O 14.77 -12.80 C 18.47 -13.49 C 13.60 -9.31 C 14.77 -8.61 C 20.89 -9.31 C 19.68 -12.80 O 22.08 -11.44 O 17.26 -11.44 C 18.47 -14.89 C 13.60 -10.72 C 19.68 -8.61 C 14.77 -11.44 C 20.89 -10.72 C 19.68 -11.44 C 17.26 -8.61 C 16.03 -9.31 C 16.03 -10.72 C 18.47 -10.72 C 18.47 -9.31 1 13 1 2 15 1 3 15 1 4 21 2 5 16 1 6 17 1 7 18 1 8 12 1 8 15 2 9 10 2 9 16 1 10 22 1 11 17 2 11 19 1 12 20 1 13 19 1 14 23 1 14 24 1 16 18 2 17 25 1 18 23 1 19 20 2 20 24 1 21 22 1 21 25 1 22 23 2 24 25 2', '25 27 C:56 22.08 -12.80 C:26 17.26 -15.60 C:18 19.68 -15.60 O 17.26 -7.20 O 12.42 -11.44 O 19.68 -7.20 O 14.77 -12.80 C:122 18.47 -13.49 C:113 13.60 -9.31 C:116 14.77 -8.61 C:94 20.89 -9.31 C:21 19.68 -12.80 O 22.08 -11.44 O 17.26 -11.44 C:131 18.47 -14.89 C:152 13.60 -10.72 C:161 19.68 -8.61 C:133 14.77 -11.44 C:164 20.89 -10.72 C:107 19.68 -11.44 C:180 17.26 -8.61 C:113 16.03 -9.31 C:147 16.03 -10.72 C:153 18.47 -10.72 C:102 18.47 -9.31 1 13 1 2 15 1 3 15 1 4 21 2 5 16 1 6 17 1 7 18 1 8 12 1 8 15 2 9 10 2 9 16 1 10 22 1 11 17 2 11 19 1 12 20 1 13 19 1 14 23 1 14 24 1 16 18 2 17 25 1 18 23 1 19 20 2 20 24 1 21 22 1 21 25 1 22 23 2 24 25 2', 'C19H18O6', 342.2, 'D', 'cpb06_126_4', 3538, '', '', '1', 47, NULL, NULL),
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(13777, 'Nidulalin A', '', 'Aromatics', 'Xanthones', '', '[CH3:102]O[C:101](=O)[C@:4001]23O[c:10001]1[cH:5][c:6]([CH3:6001])[cH:7][c:8](O)[c:8001]1[C:9](=O)[C:9001]2=[CH:1][CH:2]=[CH:3][C@H:4]3O', 'COC(=O)[C@]23Oc1cc(C)cc(O)c1C(=O)C2=CC=C[C@H]3O', '[CH3:53]O[C:169](=O)[C@:83]23O[c:158]1[cH:108][c:151]([CH3:23])[cH:111][c:163](O)[c:106]1[C:183](=O)[C:127]2=[CH:132][CH:127]=[CH:132][C@H:65]3O', '22 24 C:102 18.42 -15.00 C:6001 13.00 -12.09 O 17.82 -7.82 O 16.99 -12.57 O 15.35 -7.82 O 20.27 -13.42 C:2 21.46 -9.92 C:1 20.27 -9.22 C:3 21.46 -11.34 C:7 14.18 -9.92 C:5 15.35 -12.02 O 19.09 -13.78 O 17.82 -12.02 C:9 17.82 -9.22 C:101 18.42 -12.57 C:9001 19.03 -9.92 C:6 14.18 -11.34 C:8 15.35 -9.22 C:10001 16.60 -11.34 C:8001 16.60 -9.92 C:4 20.27 -12.02 C:4001 19.03 -11.34 1 12 1 2 17 1 3 14 2 4 15 2 5 18 1 21 6 -1 7 8 1 7 9 2 8 16 2 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 15 1 13 19 1 13 22 1 14 16 1 14 20 1 22 15 -2 16 22 1 18 20 1 19 20 2 21 22 1', '22 24 C 18.42 -15.00 C 13.00 -12.09 O 17.82 -7.82 O 16.99 -12.57 O 15.35 -7.82 O 20.27 -13.42 C 21.46 -9.92 C 20.27 -9.22 C 21.46 -11.34 C 14.18 -9.92 C 15.35 -12.02 O 19.09 -13.78 O 17.82 -12.02 C 17.82 -9.22 C 18.42 -12.57 C 19.03 -9.92 C 14.18 -11.34 C 15.35 -9.22 C 16.60 -11.34 C 16.60 -9.92 C 20.27 -12.02 C 19.03 -11.34 1 12 1 2 17 1 3 14 2 4 15 2 5 18 1 21 6 -1 7 8 1 7 9 2 8 16 2 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 15 1 13 19 1 13 22 1 14 16 1 14 20 1 22 15 -2 16 22 1 18 20 1 19 20 2 21 22 1', '22 24 C:53 18.42 -15.00 C:23 13.00 -12.09 O 17.82 -7.82 O 16.99 -12.57 O 15.35 -7.82 O 20.27 -13.42 C:127 21.46 -9.92 C:132 20.27 -9.22 C:132 21.46 -11.34 C:111 14.18 -9.92 C:108 15.35 -12.02 O 19.09 -13.78 O 17.82 -12.02 C:183 17.82 -9.22 C:169 18.42 -12.57 C:127 19.03 -9.92 C:151 14.18 -11.34 C:163 15.35 -9.22 C:158 16.60 -11.34 C:106 16.60 -9.92 C:65 20.27 -12.02 C:83 19.03 -11.34 1 12 1 2 17 1 3 14 2 4 15 2 5 18 1 21 6 -1 7 8 1 7 9 2 8 16 2 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 15 1 13 19 1 13 22 1 14 16 1 14 20 1 22 15 -2 16 22 1 18 20 1 19 20 2 21 22 1', 'C16H14O6', 302.168, 'C', 'cpb06_550_1', 3541, '', '', '1', 47, NULL, NULL),
(13778, '', '(4R,4aS,9aR)-1,9a-Dihydronidulalin A', 'Aromatics', 'Xanthones', '', '[H][C@@:9001]13[CH2:1][CH:2]=[CH:3][C@@H:4](O)[C@@:4001]1([C:101](=O)O[CH3:102])O[c:10001]2[cH:5][c:6]([CH3:6001])[cH:7][c:8](O)[c:8001]2[C:9]3=O', '[H][C@@]13CC=C[C@@H](O)[C@@]1(C(=O)OC)Oc2cc(C)cc(O)c2C3=O', '[H][C@@:40]13[CH2:25][CH:133]=[CH:124][C@@H:66](O)[C@@:85]1([C:168](=O)O[CH3:53])O[c:158]2[cH:108][c:150]([CH3:22])[cH:111][c:161](O)[c:105]2[C:198]3=O', '23 25 H 19.08 -8.91 C:102 18.46 -15.06 C:6001 12.98 -12.12 O 17.01 -12.60 O 17.85 -7.80 O 15.36 -7.80 O 20.33 -13.46 C:2 21.54 -9.92 C:3 21.54 -11.36 C:7 14.17 -9.92 C:5 15.36 -12.04 C:1 20.33 -9.21 O 19.14 -13.82 O 17.85 -12.04 C:101 18.46 -12.60 C:9 17.85 -9.21 C:6 14.17 -11.36 C:8 15.36 -9.21 C:10001 16.62 -11.36 C:8001 16.62 -9.92 C:4 20.33 -12.04 C:9001 19.08 -9.92 C:4001 19.08 -11.36 22 1 -1 2 13 1 3 17 1 4 15 2 5 16 2 6 18 1 21 7 -1 8 9 2 8 12 1 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 22 1 13 15 1 14 19 1 14 23 1 23 15 -2 16 20 1 16 22 1 18 20 1 19 20 2 21 23 1 22 23 1', '23 25 H 19.08 -8.91 C 18.46 -15.06 C 12.98 -12.12 O 17.01 -12.60 O 17.85 -7.80 O 15.36 -7.80 O 20.33 -13.46 C 21.54 -9.92 C 21.54 -11.36 C 14.17 -9.92 C 15.36 -12.04 C 20.33 -9.21 O 19.14 -13.82 O 17.85 -12.04 C 18.46 -12.60 C 17.85 -9.21 C 14.17 -11.36 C 15.36 -9.21 C 16.62 -11.36 C 16.62 -9.92 C 20.33 -12.04 C 19.08 -9.92 C 19.08 -11.36 22 1 -1 2 13 1 3 17 1 4 15 2 5 16 2 6 18 1 21 7 -1 8 9 2 8 12 1 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 22 1 13 15 1 14 19 1 14 23 1 23 15 -2 16 20 1 16 22 1 18 20 1 19 20 2 21 23 1 22 23 1', '23 25 H 19.08 -8.91 C:53 18.46 -15.06 C:22 12.98 -12.12 O 17.01 -12.60 O 17.85 -7.80 O 15.36 -7.80 O 20.33 -13.46 C:133 21.54 -9.92 C:124 21.54 -11.36 C:111 14.17 -9.92 C:108 15.36 -12.04 C:25 20.33 -9.21 O 19.14 -13.82 O 17.85 -12.04 C:168 18.46 -12.60 C:198 17.85 -9.21 C:150 14.17 -11.36 C:161 15.36 -9.21 C:158 16.62 -11.36 C:105 16.62 -9.92 C:66 20.33 -12.04 C:40 19.08 -9.92 C:85 19.08 -11.36 22 1 -1 2 13 1 3 17 1 4 15 2 5 16 2 6 18 1 21 7 -1 8 9 2 8 12 1 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 22 1 13 15 1 14 19 1 14 23 1 23 15 -2 16 20 1 16 22 1 18 20 1 19 20 2 21 23 1 22 23 1', 'C16H16O6', 304.176, 'C', 'cpb06_550_4', 3541, '', '', '1', 47, NULL, NULL),
(13779, '', '(4S,4aR,9aR)-4aCarbomethoxy-1,4,4a,9a-tetrahydro-4,8-dihydroxy-6-methylxanthone', 'Aromatics', 'Xanthones', '', '[H][C@@:9001]13[CH2:1][CH:2]=[CH:3][C@H:4](O)[C@:4001]1([C:101](=O)O[CH3:102])O[c:10001]2[cH:5][c:6]([CH3:6001])[cH:7][c:8](O)[c:8001]2[C:9]3=O', '[H][C@@]13CC=C[C@H](O)[C@]1(C(=O)OC)Oc2cc(C)cc(O)c2C3=O', '[H][C@@:45]13[CH2:26][CH:127]=[CH:127][C@H:69](O)[C@:83]1([C:171](=O)O[CH3:53])O[c:159]2[cH:108][c:151]([CH3:23])[cH:111][c:163](O)[c:104]2[C:197]3=O', '23 25 H 19.08 -8.91 C:102 18.46 -15.06 C:6001 12.98 -12.12 O 17.01 -12.60 O 17.85 -7.80 O 15.36 -7.80 O 20.33 -13.46 C:2 21.54 -9.92 C:3 21.54 -11.36 C:7 14.17 -9.92 C:5 15.36 -12.04 C:1 20.33 -9.21 O 19.14 -13.82 O 17.85 -12.04 C:101 18.46 -12.60 C:9 17.85 -9.21 C:6 14.17 -11.36 C:8 15.36 -9.21 C:10001 16.62 -11.36 C:8001 16.62 -9.92 C:4 20.33 -12.04 C:9001 19.08 -9.92 C:4001 19.08 -11.36 22 1 -1 2 13 1 3 17 1 4 15 2 5 16 2 6 18 1 21 7 -2 8 9 2 8 12 1 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 22 1 13 15 1 14 19 1 14 23 1 23 15 -1 16 20 1 16 22 1 18 20 1 19 20 2 21 23 1 22 23 1', '23 25 H 19.08 -8.91 C 18.46 -15.06 C 12.98 -12.12 O 17.01 -12.60 O 17.85 -7.80 O 15.36 -7.80 O 20.33 -13.46 C 21.54 -9.92 C 21.54 -11.36 C 14.17 -9.92 C 15.36 -12.04 C 20.33 -9.21 O 19.14 -13.82 O 17.85 -12.04 C 18.46 -12.60 C 17.85 -9.21 C 14.17 -11.36 C 15.36 -9.21 C 16.62 -11.36 C 16.62 -9.92 C 20.33 -12.04 C 19.08 -9.92 C 19.08 -11.36 22 1 -1 2 13 1 3 17 1 4 15 2 5 16 2 6 18 1 21 7 -2 8 9 2 8 12 1 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 22 1 13 15 1 14 19 1 14 23 1 23 15 -1 16 20 1 16 22 1 18 20 1 19 20 2 21 23 1 22 23 1', '23 25 H 19.08 -8.91 C:53 18.46 -15.06 C:23 12.98 -12.12 O 17.01 -12.60 O 17.85 -7.80 O 15.36 -7.80 O 20.33 -13.46 C:127 21.54 -9.92 C:127 21.54 -11.36 C:111 14.17 -9.92 C:108 15.36 -12.04 C:26 20.33 -9.21 O 19.14 -13.82 O 17.85 -12.04 C:171 18.46 -12.60 C:197 17.85 -9.21 C:151 14.17 -11.36 C:163 15.36 -9.21 C:159 16.62 -11.36 C:104 16.62 -9.92 C:69 20.33 -12.04 C:45 19.08 -9.92 C:83 19.08 -11.36 22 1 -1 2 13 1 3 17 1 4 15 2 5 16 2 6 18 1 21 7 -2 8 9 2 8 12 1 9 21 1 10 17 1 10 18 2 11 17 2 11 19 1 12 22 1 13 15 1 14 19 1 14 23 1 23 15 -1 16 20 1 16 22 1 18 20 1 19 20 2 21 23 1 22 23 1', 'C16H16O6', 304.176, 'C', 'cpb06_550_8', 3541, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13780, 'Methylcelebixanthone', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[c:5](O[CH3:5001])[c:10001]2o[c:4001]1[cH:4][cH:3][cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105]', 'COc3c(O)c(OC)c2oc1cccc(O)c1c(=O)c2c3CC=C(C)C', '[CH3:61]O[c:147]3[c:143](O)[c:145](O[CH3:61])[c:136]2o[c:155]1[cH:106][cH:136][cH:111][c:162](O)[c:109]1[c:184](=O)[c:115]2[c:128]3[CH2:25][CH:124]=[C:132]([CH3:18])[CH3:26]', '26 28 C:7001 12.38 -11.79 C:5001 14.81 -15.99 C:104 16.02 -6.89 C:105 18.44 -6.89 O 18.44 -9.69 O 20.88 -9.69 O 13.60 -13.89 C:102 17.23 -8.99 C:3 22.09 -13.19 C:2 22.09 -11.79 C:4 20.88 -13.89 C:101 16.02 -9.69 O 13.60 -11.09 O 16.02 -15.29 O 18.44 -13.89 C:103 17.23 -7.59 C:1 20.88 -11.09 C:6 14.81 -13.19 C:8 16.02 -11.09 C:7 14.81 -11.79 C:5 16.02 -13.89 C:9 18.44 -11.09 C:4001 19.67 -13.19 C:10001 17.23 -13.19 C:9001 19.67 -11.79 C:8001 17.23 -11.79 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 10 2 9 11 1 10 17 1 11 23 2 12 19 1 13 20 1 14 21 1 15 23 1 15 24 1 17 25 2 18 20 2 18 21 1 19 20 1 19 26 2 21 24 2 22 25 1 22 26 1 23 25 1 24 26 1', '26 28 C 12.38 -11.79 C 14.81 -15.99 C 16.02 -6.89 C 18.44 -6.89 O 18.44 -9.69 O 20.88 -9.69 O 13.60 -13.89 C 17.23 -8.99 C 22.09 -13.19 C 22.09 -11.79 C 20.88 -13.89 C 16.02 -9.69 O 13.60 -11.09 O 16.02 -15.29 O 18.44 -13.89 C 17.23 -7.59 C 20.88 -11.09 C 14.81 -13.19 C 16.02 -11.09 C 14.81 -11.79 C 16.02 -13.89 C 18.44 -11.09 C 19.67 -13.19 C 17.23 -13.19 C 19.67 -11.79 C 17.23 -11.79 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 10 2 9 11 1 10 17 1 11 23 2 12 19 1 13 20 1 14 21 1 15 23 1 15 24 1 17 25 2 18 20 2 18 21 1 19 20 1 19 26 2 21 24 2 22 25 1 22 26 1 23 25 1 24 26 1', '26 28 C:61 12.38 -11.79 C:61 14.81 -15.99 C:18 16.02 -6.89 C:26 18.44 -6.89 O 18.44 -9.69 O 20.88 -9.69 O 13.60 -13.89 C:124 17.23 -8.99 C:136 22.09 -13.19 C:111 22.09 -11.79 C:106 20.88 -13.89 C:25 16.02 -9.69 O 13.60 -11.09 O 16.02 -15.29 O 18.44 -13.89 C:132 17.23 -7.59 C:162 20.88 -11.09 C:143 14.81 -13.19 C:128 16.02 -11.09 C:147 14.81 -11.79 C:145 16.02 -13.89 C:184 18.44 -11.09 C:155 19.67 -13.19 C:136 17.23 -13.19 C:109 19.67 -11.79 C:115 17.23 -11.79 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 10 2 9 11 1 10 17 1 11 23 2 12 19 1 13 20 1 14 21 1 15 23 1 15 24 1 17 25 2 18 20 2 18 21 1 19 20 1 19 26 2 21 24 2 22 25 1 22 26 1 23 25 1 24 26 1', 'C20H20O6', 356.21, 'C', 'cpb06_745_1', 3542, '', '', '1', 47, NULL, NULL),
(13781, 'Celebixanthone', '', 'Aromatics', 'Xanthones', '', '[CH3:7001]O[c:7]3[c:6](O)[c:5](O)[c:10001]2o[c:4001]1[cH:4][cH:3][cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104]', 'COc3c(O)c(O)c2oc1cccc(O)c1c(=O)c2c3CC=C(C)C', '[CH3:63]O[c:144]3[c:145](O)[c:132](O)[c:144]2o[c:155]1[cH:107][cH:136][cH:111][c:162](O)[c:109]1[c:184](=O)[c:112]2[c:128]3[CH2:26][CH:124]=[C:133]([CH3:26])[CH3:18]', '25 27 C:7001 12.38 -12.12 C:105 18.44 -7.23 C:104 16.02 -7.23 O 18.44 -10.02 O 20.88 -10.02 O 13.60 -14.22 O 16.02 -15.62 C:102 17.23 -9.32 C:3 22.09 -13.52 C:2 22.09 -12.12 C:4 20.88 -14.22 C:101 16.02 -10.02 O 13.60 -11.42 O 18.44 -14.22 C:103 17.23 -7.92 C:1 20.88 -11.42 C:6 14.81 -13.52 C:5 16.02 -14.22 C:8 16.02 -11.42 C:7 14.81 -12.12 C:9 18.44 -11.42 C:4001 19.67 -13.52 C:10001 17.23 -13.52 C:9001 19.67 -12.12 C:8001 17.23 -12.12 1 13 1 2 15 1 3 15 1 4 21 2 5 16 1 6 17 1 7 18 1 8 12 1 8 15 2 9 10 2 9 11 1 10 16 1 11 22 2 12 19 1 13 20 1 14 22 1 14 23 1 16 24 2 17 18 1 17 20 2 18 23 2 19 20 1 19 25 2 21 24 1 21 25 1 22 24 1 23 25 1', '25 27 C 12.38 -12.12 C 18.44 -7.23 C 16.02 -7.23 O 18.44 -10.02 O 20.88 -10.02 O 13.60 -14.22 O 16.02 -15.62 C 17.23 -9.32 C 22.09 -13.52 C 22.09 -12.12 C 20.88 -14.22 C 16.02 -10.02 O 13.60 -11.42 O 18.44 -14.22 C 17.23 -7.92 C 20.88 -11.42 C 14.81 -13.52 C 16.02 -14.22 C 16.02 -11.42 C 14.81 -12.12 C 18.44 -11.42 C 19.67 -13.52 C 17.23 -13.52 C 19.67 -12.12 C 17.23 -12.12 1 13 1 2 15 1 3 15 1 4 21 2 5 16 1 6 17 1 7 18 1 8 12 1 8 15 2 9 10 2 9 11 1 10 16 1 11 22 2 12 19 1 13 20 1 14 22 1 14 23 1 16 24 2 17 18 1 17 20 2 18 23 2 19 20 1 19 25 2 21 24 1 21 25 1 22 24 1 23 25 1', '25 27 C:63 12.38 -12.12 C:26 18.44 -7.23 C:18 16.02 -7.23 O 18.44 -10.02 O 20.88 -10.02 O 13.60 -14.22 O 16.02 -15.62 C:124 17.23 -9.32 C:136 22.09 -13.52 C:111 22.09 -12.12 C:107 20.88 -14.22 C:26 16.02 -10.02 O 13.60 -11.42 O 18.44 -14.22 C:133 17.23 -7.92 C:162 20.88 -11.42 C:145 14.81 -13.52 C:132 16.02 -14.22 C:128 16.02 -11.42 C:144 14.81 -12.12 C:184 18.44 -11.42 C:155 19.67 -13.52 C:144 17.23 -13.52 C:109 19.67 -12.12 C:112 17.23 -12.12 1 13 1 2 15 1 3 15 1 4 21 2 5 16 1 6 17 1 7 18 1 8 12 1 8 15 2 9 10 2 9 11 1 10 16 1 11 22 2 12 19 1 13 20 1 14 22 1 14 23 1 16 24 2 17 18 1 17 20 2 18 23 2 19 20 1 19 25 2 21 24 1 21 25 1 22 24 1 23 25 1', 'C19H18O6', 342.2, 'C', 'cpb06_745_2', 3542, '', '', '1', 47, NULL, NULL),
(13782, '', '9,11-Dihydroxy-12H-benzo[a]xanthen-12-one', 'Aromatics', 'Xanthones', 'Benzoxanthones', 'O=[c:12]3[c:11001]1[c:11](O)[cH:10][c:9](O)[cH:8][c:7001]1o[c:6001]4[cH:6][cH:5][c:4001]2[cH:4][cH:3][cH:2][cH:1][c:12002]2[c:12001]34', 'O=c3c1c(O)cc(O)cc1oc4ccc2ccccc2c34', 'O=[c:183]3[c:104]1[c:166](O)[cH:99][c:163](O)[cH:94][c:157]1o[c:158]4[cH:127][cH:138][c:131]2[cH:129][cH:126][cH:130][cH:126][c:131]2[c:113]34', '21 24 O 17.22 -9.68 O 12.41 -13.88 O 14.80 -9.68 C:3 22.09 -9.68 C:2 20.89 -8.97 C:4 22.09 -11.08 C:1 19.68 -9.68 C:5 20.89 -13.17 C:6 19.68 -13.88 C:10 13.61 -11.78 C:8 14.80 -13.88 O 17.22 -13.88 C:9 13.61 -13.17 C:11 14.80 -11.08 C:12 17.22 -11.08 C:4001 20.89 -11.78 C:6001 18.48 -13.17 C:7001 15.99 -13.17 C:12002 19.68 -11.08 C:11001 15.99 -11.78 C:12001 18.48 -11.78 1 15 2 2 13 1 3 14 1 4 5 1 4 6 2 5 7 2 6 16 1 7 19 1 8 9 2 8 16 1 9 17 1 10 13 1 10 14 2 11 13 2 11 18 1 12 17 1 12 18 1 14 20 1 15 20 1 15 21 1 16 19 2 17 21 2 18 20 2 19 21 1', '21 24 O 17.22 -9.68 O 12.41 -13.88 O 14.80 -9.68 C 22.09 -9.68 C 20.89 -8.97 C 22.09 -11.08 C 19.68 -9.68 C 20.89 -13.17 C 19.68 -13.88 C 13.61 -11.78 C 14.80 -13.88 O 17.22 -13.88 C 13.61 -13.17 C 14.80 -11.08 C 17.22 -11.08 C 20.89 -11.78 C 18.48 -13.17 C 15.99 -13.17 C 19.68 -11.08 C 15.99 -11.78 C 18.48 -11.78 1 15 2 2 13 1 3 14 1 4 5 1 4 6 2 5 7 2 6 16 1 7 19 1 8 9 2 8 16 1 9 17 1 10 13 1 10 14 2 11 13 2 11 18 1 12 17 1 12 18 1 14 20 1 15 20 1 15 21 1 16 19 2 17 21 2 18 20 2 19 21 1', '21 24 O 17.22 -9.68 O 12.41 -13.88 O 14.80 -9.68 C:126 22.09 -9.68 C:130 20.89 -8.97 C:129 22.09 -11.08 C:126 19.68 -9.68 C:138 20.89 -13.17 C:127 19.68 -13.88 C:99 13.61 -11.78 C:94 14.80 -13.88 O 17.22 -13.88 C:163 13.61 -13.17 C:166 14.80 -11.08 C:183 17.22 -11.08 C:131 20.89 -11.78 C:158 18.48 -13.17 C:157 15.99 -13.17 C:131 19.68 -11.08 C:104 15.99 -11.78 C:113 18.48 -11.78 1 15 2 2 13 1 3 14 1 4 5 1 4 6 2 5 7 2 6 16 1 7 19 1 8 9 2 8 16 1 9 17 1 10 13 1 10 14 2 11 13 2 11 18 1 12 17 1 12 18 1 14 20 1 15 20 1 15 21 1 16 19 2 17 21 2 18 20 2 19 21 1', 'C17H10O4', 278.18, 'D', 'cpb06_1113_6', 3543, 'Error shift  C-3', '', '1', 47, NULL, NULL),
(13783, '', '11-Methoxy-9-(1,1-dimethylpropargyloxy)-12H-benzo[a]xanthen-12-one', 'Aromatics', 'Xanthones', 'Benzoxanthones', '[CH:103]#[C:102][C:101]([CH3:105])([CH3:104])O[c:9]4[cH:10][c:11](O[CH3:201])[c:11001]3[c:12](=O)[c:12001]2[c:6001]([cH:6][cH:5][c:4001]1[cH:4][cH:3][cH:2][cH:1][c:12002]12)o[c:7001]3[cH:8]4', 'C#CC(C)(C)Oc4cc(OC)c3c(=O)c2c(ccc1ccccc12)oc3c4', '[CH:75]#[C:85][C:73]([CH3:30])([CH3:30])O[c:161]4[cH:99][c:161](O[CH3:56])[c:110]3[c:178](=O)[c:116]2[c:158]([cH:117][cH:136][c:131]1[cH:128][cH:126][cH:129][cH:127][c:130]12)o[c:156]3[cH:98]4', '27 30 C:103 10.58 -11.76 C:201 17.80 -8.95 C:105 13.01 -11.76 C:104 11.79 -13.86 O 19.03 -9.64 C:102 11.79 -12.46 C:3 23.91 -9.64 C:2 22.71 -8.95 C:4 23.91 -11.03 C:1 21.50 -9.64 C:5 22.71 -13.15 C:6 21.50 -13.86 C:10 15.43 -11.76 C:8 16.62 -13.86 O 16.62 -9.64 O 14.23 -13.86 O 19.03 -13.86 C:9 15.43 -13.15 C:11 16.62 -11.03 C:12 19.03 -11.03 C:4001 22.71 -11.76 C:6001 20.29 -13.15 C:7001 17.80 -13.15 C:12002 21.50 -11.03 C:11001 17.80 -11.76 C:12001 20.29 -11.76 C:101 13.01 -13.15 1 6 3 2 15 1 3 27 1 4 27 1 5 20 2 6 27 1 7 8 1 7 9 2 8 10 2 9 21 1 10 24 1 11 12 2 11 21 1 12 22 1 13 18 1 13 19 2 14 18 2 14 23 1 15 19 1 16 18 1 16 27 1 17 22 1 17 23 1 19 25 1 20 25 1 20 26 1 21 24 2 22 26 2 23 25 2 24 26 1', '27 30 C 10.58 -11.76 C 17.80 -8.95 C 13.01 -11.76 C 11.79 -13.86 O 19.03 -9.64 C 11.79 -12.46 C 23.91 -9.64 C 22.71 -8.95 C 23.91 -11.03 C 21.50 -9.64 C 22.71 -13.15 C 21.50 -13.86 C 15.43 -11.76 C 16.62 -13.86 O 16.62 -9.64 O 14.23 -13.86 O 19.03 -13.86 C 15.43 -13.15 C 16.62 -11.03 C 19.03 -11.03 C 22.71 -11.76 C 20.29 -13.15 C 17.80 -13.15 C 21.50 -11.03 C 17.80 -11.76 C 20.29 -11.76 C 13.01 -13.15 1 6 3 2 15 1 3 27 1 4 27 1 5 20 2 6 27 1 7 8 1 7 9 2 8 10 2 9 21 1 10 24 1 11 12 2 11 21 1 12 22 1 13 18 1 13 19 2 14 18 2 14 23 1 15 19 1 16 18 1 16 27 1 17 22 1 17 23 1 19 25 1 20 25 1 20 26 1 21 24 2 22 26 2 23 25 2 24 26 1', '27 30 C:75 10.58 -11.76 C:56 17.80 -8.95 C:30 13.01 -11.76 C:30 11.79 -13.86 O 19.03 -9.64 C:85 11.79 -12.46 C:126 23.91 -9.64 C:129 22.71 -8.95 C:128 23.91 -11.03 C:127 21.50 -9.64 C:136 22.71 -13.15 C:117 21.50 -13.86 C:99 15.43 -11.76 C:98 16.62 -13.86 O 16.62 -9.64 O 14.23 -13.86 O 19.03 -13.86 C:161 15.43 -13.15 C:161 16.62 -11.03 C:178 19.03 -11.03 C:131 22.71 -11.76 C:158 20.29 -13.15 C:156 17.80 -13.15 C:130 21.50 -11.03 C:110 17.80 -11.76 C:116 20.29 -11.76 C:73 13.01 -13.15 1 6 3 2 15 1 3 27 1 4 27 1 5 20 2 6 27 1 7 8 1 7 9 2 8 10 2 9 21 1 10 24 1 11 12 2 11 21 1 12 22 1 13 18 1 13 19 2 14 18 2 14 23 1 15 19 1 16 18 1 16 27 1 17 22 1 17 23 1 19 25 1 20 25 1 20 26 1 21 24 2 22 26 2 23 25 2 24 26 1', 'C23H18O4', 358.244, 'C', 'cpb06_1113_11', 3543, '', '', '1', 47, NULL, NULL),
(13784, '', '6-Hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one', 'Aromatics', 'Xanthones', 'Benzoxanthones', '[CH3:104][C:103]5([CH3:105])[CH:102]=[CH:101][c:8]3[c:9]([cH:10][c:11](O)[c:11001]4[c:12](=O)[c:12001]2[c:6001]([cH:6][cH:5][c:4001]1[cH:4][cH:3][cH:2][cH:1][c:12002]12)o[c:7001]34)O5', 'CC5(C)C=Cc3c(cc(O)c4c(=O)c2c(ccc1ccccc12)oc34)O5', '[CH3:28][C:78]5([CH3:28])[CH:127]=[CH:115][c:101]3[c:160]([cH:100][c:163](O)[c:105]4[c:183](=O)[c:113]2[c:157]([cH:118][cH:137][c:130]1[cH:129][cH:126][cH:130][cH:127][c:131]12)o[c:151]34)O5', '26 30 C:104 11.74 -13.53 C:105 12.72 -15.25 O 17.93 -8.31 O 15.50 -8.31 C:101 15.50 -13.90 C:102 14.30 -14.60 C:3 22.80 -8.31 C:2 21.59 -7.59 C:4 22.80 -9.71 C:1 20.38 -8.31 C:5 21.59 -11.82 C:6 20.38 -12.51 C:10 14.30 -10.42 O 13.09 -12.51 O 17.93 -12.51 C:11 15.50 -9.71 C:9 14.30 -11.82 C:8 15.50 -12.51 C:12 17.93 -9.71 C:4001 21.59 -10.42 C:6001 19.18 -11.82 C:12002 20.38 -9.71 C:7001 16.70 -11.82 C:11001 16.70 -10.42 C:12001 19.18 -10.42 C:103 13.09 -13.90 1 26 1 2 26 1 3 19 2 4 16 1 5 6 2 5 18 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 22 1 11 12 2 11 20 1 12 21 1 13 16 2 13 17 1 14 17 1 14 26 1 15 21 1 15 23 1 16 24 1 17 18 2 18 23 1 19 24 1 19 25 1 20 22 2 21 25 2 22 25 1 23 24 2', '26 30 C 11.74 -13.53 C 12.72 -15.25 O 17.93 -8.31 O 15.50 -8.31 C 15.50 -13.90 C 14.30 -14.60 C 22.80 -8.31 C 21.59 -7.59 C 22.80 -9.71 C 20.38 -8.31 C 21.59 -11.82 C 20.38 -12.51 C 14.30 -10.42 O 13.09 -12.51 O 17.93 -12.51 C 15.50 -9.71 C 14.30 -11.82 C 15.50 -12.51 C 17.93 -9.71 C 21.59 -10.42 C 19.18 -11.82 C 20.38 -9.71 C 16.70 -11.82 C 16.70 -10.42 C 19.18 -10.42 C 13.09 -13.90 1 26 1 2 26 1 3 19 2 4 16 1 5 6 2 5 18 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 22 1 11 12 2 11 20 1 12 21 1 13 16 2 13 17 1 14 17 1 14 26 1 15 21 1 15 23 1 16 24 1 17 18 2 18 23 1 19 24 1 19 25 1 20 22 2 21 25 2 22 25 1 23 24 2', '26 30 C:28 11.74 -13.53 C:28 12.72 -15.25 O 17.93 -8.31 O 15.50 -8.31 C:115 15.50 -13.90 C:127 14.30 -14.60 C:126 22.80 -8.31 C:130 21.59 -7.59 C:129 22.80 -9.71 C:127 20.38 -8.31 C:137 21.59 -11.82 C:118 20.38 -12.51 C:100 14.30 -10.42 O 13.09 -12.51 O 17.93 -12.51 C:163 15.50 -9.71 C:160 14.30 -11.82 C:101 15.50 -12.51 C:183 17.93 -9.71 C:130 21.59 -10.42 C:157 19.18 -11.82 C:131 20.38 -9.71 C:151 16.70 -11.82 C:105 16.70 -10.42 C:113 19.18 -10.42 C:78 13.09 -13.90 1 26 1 2 26 1 3 19 2 4 16 1 5 6 2 5 18 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 22 1 11 12 2 11 20 1 12 21 1 13 16 2 13 17 1 14 17 1 14 26 1 15 21 1 15 23 1 16 24 1 17 18 2 18 23 1 19 24 1 19 25 1 20 22 2 21 25 2 22 25 1 23 24 2', 'C22H16O4', 344.233, 'C', 'cpb06_1113_12', 3543, '', '', '1', 47, NULL, NULL),
(13785, '', '5-Hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one', 'Aromatics', 'Xanthones', 'Benzoxanthones', '[CH3:104][C:103]5([CH3:105])[CH:102]=[CH:101][c:10]4[c:9]([cH:8][c:7001]3o[c:6001]2[cH:6][cH:5][c:4001]1[cH:4][cH:3][cH:2][cH:1][c:12002]1[c:12001]2[c:12](=O)[c:11001]3[c:11]4O)O5', 'CC5(C)C=Cc4c(cc3oc2ccc1ccccc1c2c(=O)c3c4O)O5', '[CH3:28][C:78]5([CH3:28])[CH:127]=[CH:115][c:101]4[c:163]([cH:100][c:157]3o[c:160]2[cH:117][cH:137][c:130]1[cH:129][cH:126][cH:130][cH:127][c:131]1[c:113]2[c:183](=O)[c:105]3[c:160]4O)O5', '26 30 C:104 11.13 -12.52 C:105 12.12 -14.23 O 18.56 -9.38 O 16.12 -9.38 C:101 13.69 -10.78 C:102 12.48 -11.48 C:3 23.41 -9.38 C:2 22.21 -8.66 C:4 23.41 -10.78 C:1 21.01 -9.38 C:5 22.21 -12.88 C:6 21.01 -13.57 C:8 16.12 -13.57 O 13.69 -13.58 O 18.56 -13.57 C:10 14.91 -11.48 C:9 14.91 -12.88 C:11 16.12 -10.78 C:12 18.56 -10.78 C:4001 22.21 -11.48 C:6001 19.81 -12.88 C:7001 17.32 -12.88 C:12002 21.01 -10.78 C:11001 17.32 -11.48 C:12001 19.81 -11.48 C:103 12.48 -12.88 1 26 1 2 26 1 3 19 2 4 18 1 5 6 2 5 16 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 23 1 11 12 2 11 20 1 12 21 1 13 17 2 13 22 1 14 17 1 14 26 1 15 21 1 15 22 1 16 17 1 16 18 2 18 24 1 19 24 1 19 25 1 20 23 2 21 25 2 22 24 2 23 25 1', '26 30 C 11.13 -12.52 C 12.12 -14.23 O 18.56 -9.38 O 16.12 -9.38 C 13.69 -10.78 C 12.48 -11.48 C 23.41 -9.38 C 22.21 -8.66 C 23.41 -10.78 C 21.01 -9.38 C 22.21 -12.88 C 21.01 -13.57 C 16.12 -13.57 O 13.69 -13.58 O 18.56 -13.57 C 14.91 -11.48 C 14.91 -12.88 C 16.12 -10.78 C 18.56 -10.78 C 22.21 -11.48 C 19.81 -12.88 C 17.32 -12.88 C 21.01 -10.78 C 17.32 -11.48 C 19.81 -11.48 C 12.48 -12.88 1 26 1 2 26 1 3 19 2 4 18 1 5 6 2 5 16 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 23 1 11 12 2 11 20 1 12 21 1 13 17 2 13 22 1 14 17 1 14 26 1 15 21 1 15 22 1 16 17 1 16 18 2 18 24 1 19 24 1 19 25 1 20 23 2 21 25 2 22 24 2 23 25 1', '26 30 C:28 11.13 -12.52 C:28 12.12 -14.23 O 18.56 -9.38 O 16.12 -9.38 C:115 13.69 -10.78 C:127 12.48 -11.48 C:126 23.41 -9.38 C:130 22.21 -8.66 C:129 23.41 -10.78 C:127 21.01 -9.38 C:137 22.21 -12.88 C:117 21.01 -13.57 C:100 16.12 -13.57 O 13.69 -13.58 O 18.56 -13.57 C:101 14.91 -11.48 C:163 14.91 -12.88 C:160 16.12 -10.78 C:183 18.56 -10.78 C:130 22.21 -11.48 C:160 19.81 -12.88 C:157 17.32 -12.88 C:131 21.01 -10.78 C:105 17.32 -11.48 C:113 19.81 -11.48 C:78 12.48 -12.88 1 26 1 2 26 1 3 19 2 4 18 1 5 6 2 5 16 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 23 1 11 12 2 11 20 1 12 21 1 13 17 2 13 22 1 14 17 1 14 26 1 15 21 1 15 22 1 16 17 1 16 18 2 18 24 1 19 24 1 19 25 1 20 23 2 21 25 2 22 24 2 23 25 1', 'C22H16O4', 344.233, 'C', 'cpb06_1113_13', 3543, '', '', '1', 47, NULL, NULL),
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(13796, '', '6-Amino-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]5([CH3:105])[CH:102]=[CH:101][c:8]3[c:9]([cH:10][c:11](N)[c:11001]4[c:12](=O)[c:12001]2[c:6001]([cH:6][cH:5][c:4001]1[cH:4][cH:3][cH:2][cH:1][c:12002]12)o[c:7001]34)O5', 'CC5(C)C=Cc3c(cc(N)c4c(=O)c2c(ccc1ccccc12)oc34)O5', '[CH3:28][C:78]5([CH3:28])[CH:126]=[CH:116][c:96]3[c:159]([cH:97][c:152](N)[c:104]4[c:181](=O)[c:115]2[c:156]([cH:118][cH:136][c:130]1[cH:129][cH:126][cH:129][cH:127][c:131]12)o[c:152]34)O5', '26 30 C:104 11.74 -13.53 C:105 12.72 -15.25 N 15.50 -8.31 O 17.93 -8.31 C:101 15.50 -13.90 C:102 14.30 -14.60 C:3 22.80 -8.31 C:2 21.59 -7.59 C:4 22.80 -9.71 C:1 20.38 -8.31 C:5 21.59 -11.82 C:6 20.38 -12.51 C:10 14.30 -10.42 O 13.09 -12.51 O 17.93 -12.51 C:11 15.50 -9.71 C:9 14.30 -11.82 C:8 15.50 -12.51 C:12 17.93 -9.71 C:4001 21.59 -10.42 C:6001 19.18 -11.82 C:12002 20.38 -9.71 C:7001 16.70 -11.82 C:11001 16.70 -10.42 C:12001 19.18 -10.42 C:103 13.09 -13.90 1 26 1 2 26 1 3 16 1 4 19 2 5 6 2 5 18 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 22 1 11 12 2 11 20 1 12 21 1 13 16 2 13 17 1 14 17 1 14 26 1 15 21 1 15 23 1 16 24 1 17 18 2 18 23 1 19 24 1 19 25 1 20 22 2 21 25 2 22 25 1 23 24 2', '26 30 C 11.74 -13.53 C 12.72 -15.25 N 15.50 -8.31 O 17.93 -8.31 C 15.50 -13.90 C 14.30 -14.60 C 22.80 -8.31 C 21.59 -7.59 C 22.80 -9.71 C 20.38 -8.31 C 21.59 -11.82 C 20.38 -12.51 C 14.30 -10.42 O 13.09 -12.51 O 17.93 -12.51 C 15.50 -9.71 C 14.30 -11.82 C 15.50 -12.51 C 17.93 -9.71 C 21.59 -10.42 C 19.18 -11.82 C 20.38 -9.71 C 16.70 -11.82 C 16.70 -10.42 C 19.18 -10.42 C 13.09 -13.90 1 26 1 2 26 1 3 16 1 4 19 2 5 6 2 5 18 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 22 1 11 12 2 11 20 1 12 21 1 13 16 2 13 17 1 14 17 1 14 26 1 15 21 1 15 23 1 16 24 1 17 18 2 18 23 1 19 24 1 19 25 1 20 22 2 21 25 2 22 25 1 23 24 2', '26 30 C:28 11.74 -13.53 C:28 12.72 -15.25 N 15.50 -8.31 O 17.93 -8.31 C:116 15.50 -13.90 C:126 14.30 -14.60 C:126 22.80 -8.31 C:129 21.59 -7.59 C:129 22.80 -9.71 C:127 20.38 -8.31 C:136 21.59 -11.82 C:118 20.38 -12.51 C:97 14.30 -10.42 O 13.09 -12.51 O 17.93 -12.51 C:152 15.50 -9.71 C:159 14.30 -11.82 C:96 15.50 -12.51 C:181 17.93 -9.71 C:130 21.59 -10.42 C:156 19.18 -11.82 C:131 20.38 -9.71 C:152 16.70 -11.82 C:104 16.70 -10.42 C:115 19.18 -10.42 C:78 13.09 -13.90 1 26 1 2 26 1 3 16 1 4 19 2 5 6 2 5 18 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 22 1 11 12 2 11 20 1 12 21 1 13 16 2 13 17 1 14 17 1 14 26 1 15 21 1 15 23 1 16 24 1 17 18 2 18 23 1 19 24 1 19 25 1 20 22 2 21 25 2 22 25 1 23 24 2', 'C22H17NO3', 343.24, 'C', 'cpb06_1113_25', 3543, '', '', '1', 47, NULL, NULL),
(13797, '', '5-Amino-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]5([CH3:105])[CH:102]=[CH:101][c:10]4[c:11](N)[c:11001]3[c:12](=O)[c:12001]2[c:6001]([cH:6][cH:5][c:4001]1[cH:4][cH:3][cH:2][cH:1][c:12002]12)o[c:7001]3[cH:8][c:9]4O5', 'CC5(C)C=Cc4c(N)c3c(=O)c2c(ccc1ccccc12)oc3cc4O5', '[CH3:28][C:77]5([CH3:28])[CH:127]=[CH:116][c:102]4[c:147](N)[c:105]3[c:181](=O)[c:115]2[c:158]([cH:118][cH:136][c:130]1[cH:129][cH:126][cH:129][cH:127][c:131]12)o[c:157]3[cH:93][c:159]4O5', '26 30 C:104 11.13 -12.52 C:105 12.12 -14.23 N 16.12 -9.38 O 18.56 -9.38 C:101 13.69 -10.78 C:102 12.48 -11.48 C:3 23.41 -9.38 C:2 22.21 -8.66 C:4 23.41 -10.78 C:1 21.01 -9.38 C:5 22.21 -12.88 C:6 21.01 -13.57 C:8 16.12 -13.57 O 13.69 -13.58 O 18.56 -13.57 C:11 16.12 -10.78 C:10 14.91 -11.48 C:9 14.91 -12.88 C:12 18.56 -10.78 C:4001 22.21 -11.48 C:6001 19.81 -12.88 C:7001 17.32 -12.88 C:12002 21.01 -10.78 C:11001 17.32 -11.48 C:12001 19.81 -11.48 C:103 12.48 -12.88 1 26 1 2 26 1 3 16 1 4 19 2 5 6 2 5 17 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 23 1 11 12 2 11 20 1 12 21 1 13 18 2 13 22 1 14 18 1 14 26 1 15 21 1 15 22 1 16 17 2 16 24 1 17 18 1 19 24 1 19 25 1 20 23 2 21 25 2 22 24 2 23 25 1', '26 30 C 11.13 -12.52 C 12.12 -14.23 N 16.12 -9.38 O 18.56 -9.38 C 13.69 -10.78 C 12.48 -11.48 C 23.41 -9.38 C 22.21 -8.66 C 23.41 -10.78 C 21.01 -9.38 C 22.21 -12.88 C 21.01 -13.57 C 16.12 -13.57 O 13.69 -13.58 O 18.56 -13.57 C 16.12 -10.78 C 14.91 -11.48 C 14.91 -12.88 C 18.56 -10.78 C 22.21 -11.48 C 19.81 -12.88 C 17.32 -12.88 C 21.01 -10.78 C 17.32 -11.48 C 19.81 -11.48 C 12.48 -12.88 1 26 1 2 26 1 3 16 1 4 19 2 5 6 2 5 17 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 23 1 11 12 2 11 20 1 12 21 1 13 18 2 13 22 1 14 18 1 14 26 1 15 21 1 15 22 1 16 17 2 16 24 1 17 18 1 19 24 1 19 25 1 20 23 2 21 25 2 22 24 2 23 25 1', '26 30 C:28 11.13 -12.52 C:28 12.12 -14.23 N 16.12 -9.38 O 18.56 -9.38 C:116 13.69 -10.78 C:127 12.48 -11.48 C:126 23.41 -9.38 C:129 22.21 -8.66 C:129 23.41 -10.78 C:127 21.01 -9.38 C:136 22.21 -12.88 C:118 21.01 -13.57 C:93 16.12 -13.57 O 13.69 -13.58 O 18.56 -13.57 C:147 16.12 -10.78 C:102 14.91 -11.48 C:159 14.91 -12.88 C:181 18.56 -10.78 C:130 22.21 -11.48 C:158 19.81 -12.88 C:157 17.32 -12.88 C:131 21.01 -10.78 C:105 17.32 -11.48 C:115 19.81 -11.48 C:77 12.48 -12.88 1 26 1 2 26 1 3 16 1 4 19 2 5 6 2 5 17 1 6 26 1 7 8 1 7 9 2 8 10 2 9 20 1 10 23 1 11 12 2 11 20 1 12 21 1 13 18 2 13 22 1 14 18 1 14 26 1 15 21 1 15 22 1 16 17 2 16 24 1 17 18 1 19 24 1 19 25 1 20 23 2 21 25 2 22 24 2 23 25 1', 'C22H17NO3', 343.24, 'C', 'cpb06_1113_26', 3543, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13798, '7-Demethylartonol E', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH2:204]=[C:203]([CH3:205])[CH:202]5[CH2:201][c:3]2[c:2](o[c:9]1[cH:8][c:7](O)[cH:6][c:5](O)[c:10]1[c:4]2=O)[c:101]4[c:106](O)[c:105]3[CH:301]=[CH:302][C:303]([CH3:304])([CH3:305])O[c:104]3[c:103](O)[c:102]45', 'C=C(C)C5Cc2c(oc1cc(O)cc(O)c1c2=O)c4c(O)c3C=CC(C)(C)Oc3c(O)c45', '[CH2:112]=[C:145]([CH3:22])[CH:38]5[CH2:22][c:112]2[c:161](o[c:158]1[cH:95][c:165](O)[cH:100][c:163](O)[c:105]1[c:181]2=O)[c:107]4[c:129](O)[c:137]3[CH:117]=[CH:130][C:78]([CH3:28])([CH3:28])O[c:145]3[c:110](O)[c:145]45', '32 36 C:204 22.04 -13.87 C:205 20.81 -15.96 C:304 22.41 -6.92 C:305 23.40 -8.64 O 15.94 -15.96 O 11.13 -11.78 O 13.53 -15.96 O 17.15 -9.70 O 22.04 -12.48 C:301 19.60 -8.27 C:302 20.81 -7.57 C:6 12.34 -13.87 C:8 13.53 -11.78 C:201 18.37 -14.56 O 22.04 -9.70 O 15.94 -11.78 C:203 20.81 -14.56 C:7 12.34 -12.48 C:5 13.53 -14.56 C:106 18.37 -10.38 C:103 20.81 -11.78 C:105 19.60 -9.70 C:104 20.81 -10.38 C:3 17.15 -13.87 C:2 17.15 -12.48 C:101 18.37 -11.78 C:102 19.60 -12.48 C:4 15.94 -14.56 C:9 14.73 -12.48 C:10 14.73 -13.87 C:202 19.60 -13.87 C:303 22.04 -8.27 1 17 2 2 17 1 3 32 1 4 32 1 5 28 2 6 18 1 7 19 1 8 20 1 9 21 1 10 11 2 10 22 1 11 32 1 12 18 1 12 19 2 13 18 2 13 29 1 14 24 1 14 31 1 15 23 1 15 32 1 16 25 1 16 29 1 17 31 1 19 30 1 20 22 2 20 26 1 21 23 2 21 27 1 22 23 1 24 25 2 24 28 1 25 26 1 26 27 2 27 31 1 28 30 1 29 30 2', '32 36 C 22.04 -13.87 C 20.81 -15.96 C 22.41 -6.92 C 23.40 -8.64 O 15.94 -15.96 O 11.13 -11.78 O 13.53 -15.96 O 17.15 -9.70 O 22.04 -12.48 C 19.60 -8.27 C 20.81 -7.57 C 12.34 -13.87 C 13.53 -11.78 C 18.37 -14.56 O 22.04 -9.70 O 15.94 -11.78 C 20.81 -14.56 C 12.34 -12.48 C 13.53 -14.56 C 18.37 -10.38 C 20.81 -11.78 C 19.60 -9.70 C 20.81 -10.38 C 17.15 -13.87 C 17.15 -12.48 C 18.37 -11.78 C 19.60 -12.48 C 15.94 -14.56 C 14.73 -12.48 C 14.73 -13.87 C 19.60 -13.87 C 22.04 -8.27 1 17 2 2 17 1 3 32 1 4 32 1 5 28 2 6 18 1 7 19 1 8 20 1 9 21 1 10 11 2 10 22 1 11 32 1 12 18 1 12 19 2 13 18 2 13 29 1 14 24 1 14 31 1 15 23 1 15 32 1 16 25 1 16 29 1 17 31 1 19 30 1 20 22 2 20 26 1 21 23 2 21 27 1 22 23 1 24 25 2 24 28 1 25 26 1 26 27 2 27 31 1 28 30 1 29 30 2', '32 36 C:112 22.04 -13.87 C:22 20.81 -15.96 C:28 22.41 -6.92 C:28 23.40 -8.64 O 15.94 -15.96 O 11.13 -11.78 O 13.53 -15.96 O 17.15 -9.70 O 22.04 -12.48 C:117 19.60 -8.27 C:130 20.81 -7.57 C:100 12.34 -13.87 C:95 13.53 -11.78 C:22 18.37 -14.56 O 22.04 -9.70 O 15.94 -11.78 C:145 20.81 -14.56 C:165 12.34 -12.48 C:163 13.53 -14.56 C:129 18.37 -10.38 C:110 20.81 -11.78 C:137 19.60 -9.70 C:145 20.81 -10.38 C:112 17.15 -13.87 C:161 17.15 -12.48 C:107 18.37 -11.78 C:145 19.60 -12.48 C:181 15.94 -14.56 C:158 14.73 -12.48 C:105 14.73 -13.87 C:38 19.60 -13.87 C:78 22.04 -8.27 1 17 2 2 17 1 3 32 1 4 32 1 5 28 2 6 18 1 7 19 1 8 20 1 9 21 1 10 11 2 10 22 1 11 32 1 12 18 1 12 19 2 13 18 2 13 29 1 14 24 1 14 31 1 15 23 1 15 32 1 16 25 1 16 29 1 17 31 1 19 30 1 20 22 2 20 26 1 21 23 2 21 27 1 22 23 1 24 25 2 24 28 1 25 26 1 26 27 2 27 31 1 28 30 1 29 30 2', 'C25H22O7', 434.263, 'A', 'cpb06_1433_1', 3544, '', '', '1', 47, NULL, NULL),
(13799, 'Chromone artorigidusin', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:103][C:102](=O)[CH2:101][c:2]3o[c:9]2[c:8]1[CH:301]=[CH:302][C:303]([CH3:305])([CH3:304])O[c:7]1[cH:6][c:5](O)[c:10]2[c:4](=O)[c:3]3[CH2:201][CH2:202][C:203]([CH3:204])([CH3:205])O', 'CC(=O)Cc3oc2c1C=CC(C)(C)Oc1cc(O)c2c(=O)c3CCC(C)(C)O', '[CH3:30][C:201](=O)[CH2:47][c:158]3o[c:152]2[c:101]1[CH:115]=[CH:127][C:78]([CH3:28])([CH3:28])O[c:160]1[cH:100][c:162](O)[c:105]2[c:182](=O)[c:122]3[CH2:19][CH2:42][C:71]([CH3:29])([CH3:29])O', '28 30 C:103 20.98 -8.61 C:204 23.42 -12.78 C:205 22.20 -14.88 C:305 11.11 -9.70 C:304 12.07 -7.97 O 18.51 -8.61 O 17.30 -14.88 O 14.89 -14.88 O 23.42 -14.16 C:301 14.89 -9.28 C:302 13.70 -8.60 C:6 13.70 -12.78 C:201 19.74 -13.47 C:202 20.98 -12.78 C:101 19.74 -10.68 O 12.47 -10.71 O 17.30 -10.68 C:102 19.74 -9.29 C:5 14.89 -13.47 C:7 13.70 -11.39 C:2 18.51 -11.39 C:8 14.89 -10.68 C:3 18.51 -12.78 C:4 17.30 -13.47 C:9 16.10 -11.39 C:10 16.10 -12.78 C:203 22.20 -13.47 C:303 12.47 -9.32 1 18 1 2 27 1 3 27 1 4 28 1 5 28 1 6 18 2 7 24 2 8 19 1 9 27 1 10 11 2 10 22 1 11 28 1 12 19 2 12 20 1 13 14 1 13 23 1 14 27 1 15 18 1 15 21 1 16 20 1 16 28 1 17 21 1 17 25 1 19 26 1 20 22 2 21 23 2 22 25 1 23 24 1 24 26 1 25 26 2', '28 30 C 20.98 -8.61 C 23.42 -12.78 C 22.20 -14.88 C 11.11 -9.70 C 12.07 -7.97 O 18.51 -8.61 O 17.30 -14.88 O 14.89 -14.88 O 23.42 -14.16 C 14.89 -9.28 C 13.70 -8.60 C 13.70 -12.78 C 19.74 -13.47 C 20.98 -12.78 C 19.74 -10.68 O 12.47 -10.71 O 17.30 -10.68 C 19.74 -9.29 C 14.89 -13.47 C 13.70 -11.39 C 18.51 -11.39 C 14.89 -10.68 C 18.51 -12.78 C 17.30 -13.47 C 16.10 -11.39 C 16.10 -12.78 C 22.20 -13.47 C 12.47 -9.32 1 18 1 2 27 1 3 27 1 4 28 1 5 28 1 6 18 2 7 24 2 8 19 1 9 27 1 10 11 2 10 22 1 11 28 1 12 19 2 12 20 1 13 14 1 13 23 1 14 27 1 15 18 1 15 21 1 16 20 1 16 28 1 17 21 1 17 25 1 19 26 1 20 22 2 21 23 2 22 25 1 23 24 1 24 26 1 25 26 2', '28 30 C:30 20.98 -8.61 C:29 23.42 -12.78 C:29 22.20 -14.88 C:28 11.11 -9.70 C:28 12.07 -7.97 O 18.51 -8.61 O 17.30 -14.88 O 14.89 -14.88 O 23.42 -14.16 C:115 14.89 -9.28 C:127 13.70 -8.60 C:100 13.70 -12.78 C:19 19.74 -13.47 C:42 20.98 -12.78 C:47 19.74 -10.68 O 12.47 -10.71 O 17.30 -10.68 C:201 19.74 -9.29 C:162 14.89 -13.47 C:160 13.70 -11.39 C:158 18.51 -11.39 C:101 14.89 -10.68 C:122 18.51 -12.78 C:182 17.30 -13.47 C:152 16.10 -11.39 C:105 16.10 -12.78 C:71 22.20 -13.47 C:78 12.47 -9.32 1 18 1 2 27 1 3 27 1 4 28 1 5 28 1 6 18 2 7 24 2 8 19 1 9 27 1 10 11 2 10 22 1 11 28 1 12 19 2 12 20 1 13 14 1 13 23 1 14 27 1 15 18 1 15 21 1 16 20 1 16 28 1 17 21 1 17 25 1 19 26 1 20 22 2 21 23 2 22 25 1 23 24 1 24 26 1 25 26 2', 'C22H26O6', 386.232, 'C', 'cpb06_1433_2', 3544, '', '', '1', 47, NULL, NULL),
(13800, '', '4,6-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][c:6](O)[cH:5][c:10001]1o[c:4001]2[c:4](O)[c:3]3O[CH3:3001]', 'COc3cc2c(=O)c1ccc(O)cc1oc2c(O)c3OC', '[CH3:56]O[c:151]3[cH:97][c:119]2[c:176](=O)[c:115]1[cH:129][cH:115][c:165](O)[cH:103][c:159]1o[c:143]2[c:142](O)[c:143]3O[CH3:61]', '21 23 C:2001 22.68 -10.74 C:3001 21.44 -14.22 O 16.60 -8.63 O 11.78 -12.87 O 19.05 -14.22 C:7 12.97 -10.74 C:8 14.16 -10.04 C:5 14.16 -12.87 C:1 19.05 -10.04 O 21.44 -10.04 O 21.44 -12.87 O 16.60 -12.87 C:6 12.97 -12.15 C:2 20.26 -10.74 C:4 19.05 -12.87 C:3 20.26 -12.15 C:9 16.60 -10.04 C:10001 15.38 -12.15 C:8001 15.38 -10.74 C:9001 17.83 -10.74 C:4001 17.83 -12.15 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 2 6 13 1 7 19 1 8 13 2 8 18 1 9 14 2 9 20 1 10 14 1 11 16 1 12 18 1 12 21 1 14 16 1 15 16 2 15 21 1 17 19 1 17 20 1 18 19 2 20 21 2', '21 23 C 22.68 -10.74 C 21.44 -14.22 O 16.60 -8.63 O 11.78 -12.87 O 19.05 -14.22 C 12.97 -10.74 C 14.16 -10.04 C 14.16 -12.87 C 19.05 -10.04 O 21.44 -10.04 O 21.44 -12.87 O 16.60 -12.87 C 12.97 -12.15 C 20.26 -10.74 C 19.05 -12.87 C 20.26 -12.15 C 16.60 -10.04 C 15.38 -12.15 C 15.38 -10.74 C 17.83 -10.74 C 17.83 -12.15 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 2 6 13 1 7 19 1 8 13 2 8 18 1 9 14 2 9 20 1 10 14 1 11 16 1 12 18 1 12 21 1 14 16 1 15 16 2 15 21 1 17 19 1 17 20 1 18 19 2 20 21 2', '21 23 C:56 22.68 -10.74 C:61 21.44 -14.22 O 16.60 -8.63 O 11.78 -12.87 O 19.05 -14.22 C:115 12.97 -10.74 C:129 14.16 -10.04 C:103 14.16 -12.87 C:97 19.05 -10.04 O 21.44 -10.04 O 21.44 -12.87 O 16.60 -12.87 C:165 12.97 -12.15 C:151 20.26 -10.74 C:142 19.05 -12.87 C:143 20.26 -12.15 C:176 16.60 -10.04 C:159 15.38 -12.15 C:115 15.38 -10.74 C:119 17.83 -10.74 C:143 17.83 -12.15 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 2 6 13 1 7 19 1 8 13 2 8 18 1 9 14 2 9 20 1 10 14 1 11 16 1 12 18 1 12 21 1 14 16 1 15 16 2 15 21 1 17 19 1 17 20 1 18 19 2 20 21 2', 'C15H12O6', 288.157, 'P', 'cpb07_19_1', 3545, '', '', '1', 47, NULL, NULL),
(13801, '', '2,6-Dihydroxy-3,4-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:101]O[c:3]3[c:2](O)[cH:1][c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][c:6](O)[cH:5][c:10001]1o[c:4001]2[c:4]3O[CH3:201]', 'COc3c(O)cc2c(=O)c1ccc(O)cc1oc2c3OC', '[CH3:56]O[c:143]3[c:151](O)[cH:97][c:119]2[c:176](=O)[c:115]1[cH:129][cH:115][c:165](O)[cH:103][c:159]1o[c:143]2[c:142]3O[CH3:61]', '21 23 C:101 22.07 -13.89 C:201 18.46 -14.59 O 17.23 -8.30 O 12.40 -12.54 O 22.07 -9.71 C:7 13.59 -10.41 C:8 14.78 -9.71 C:5 14.78 -12.54 C:1 19.68 -9.71 O 22.07 -12.54 O 19.68 -13.89 O 17.23 -12.54 C:6 13.59 -11.82 C:2 20.89 -10.41 C:3 20.89 -11.82 C:4 19.68 -12.54 C:9 17.23 -9.71 C:10001 16.01 -11.82 C:8001 16.01 -10.41 C:9001 18.46 -10.41 C:4001 18.46 -11.82 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 2 6 13 1 7 19 1 8 13 2 8 18 1 9 14 2 9 20 1 10 15 1 11 16 1 12 18 1 12 21 1 14 15 1 15 16 2 16 21 1 17 19 1 17 20 1 18 19 2 20 21 2', '21 23 C 22.07 -13.89 C 18.46 -14.59 O 17.23 -8.30 O 12.40 -12.54 O 22.07 -9.71 C 13.59 -10.41 C 14.78 -9.71 C 14.78 -12.54 C 19.68 -9.71 O 22.07 -12.54 O 19.68 -13.89 O 17.23 -12.54 C 13.59 -11.82 C 20.89 -10.41 C 20.89 -11.82 C 19.68 -12.54 C 17.23 -9.71 C 16.01 -11.82 C 16.01 -10.41 C 18.46 -10.41 C 18.46 -11.82 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 2 6 13 1 7 19 1 8 13 2 8 18 1 9 14 2 9 20 1 10 15 1 11 16 1 12 18 1 12 21 1 14 15 1 15 16 2 16 21 1 17 19 1 17 20 1 18 19 2 20 21 2', '21 23 C:56 22.07 -13.89 C:61 18.46 -14.59 O 17.23 -8.30 O 12.40 -12.54 O 22.07 -9.71 C:115 13.59 -10.41 C:129 14.78 -9.71 C:103 14.78 -12.54 C:97 19.68 -9.71 O 22.07 -12.54 O 19.68 -13.89 O 17.23 -12.54 C:165 13.59 -11.82 C:151 20.89 -10.41 C:143 20.89 -11.82 C:142 19.68 -12.54 C:176 17.23 -9.71 C:159 16.01 -11.82 C:115 16.01 -10.41 C:119 18.46 -10.41 C:143 18.46 -11.82 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 2 6 13 1 7 19 1 8 13 2 8 18 1 9 14 2 9 20 1 10 15 1 11 16 1 12 18 1 12 21 1 14 15 1 15 16 2 16 21 1 17 19 1 17 20 1 18 19 2 20 21 2', 'C15H12O6', 288.157, 'P', 'cpb07_19_2', 3545, '', '', '1', 47, NULL, NULL),
(13802, '', '6-Hydroxy-2,3,4-trimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:101]O[c:2]3[cH:1][c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][c:6](O)[cH:5][c:10001]1o[c:4001]2[c:4](O[CH3:301])[c:3]3O[CH3:201]', 'COc3cc2c(=O)c1ccc(O)cc1oc2c(OC)c3OC', '[CH3:56]O[c:151]3[cH:102][c:119]2[c:176](=O)[c:115]1[cH:129][cH:115][c:166](O)[cH:103][c:159]1o[c:146]2[c:142](O[CH3:62])[c:149]3O[CH3:62]', '22 24 C:101 22.67 -10.41 C:201 21.45 -13.88 C:301 17.84 -14.58 O 16.61 -8.30 O 11.78 -12.54 C:7 12.97 -10.41 C:8 14.16 -9.71 C:5 14.16 -12.54 C:1 19.06 -9.71 O 21.45 -9.71 O 21.45 -12.54 O 19.06 -13.88 O 16.61 -12.54 C:6 12.97 -11.82 C:2 20.27 -10.41 C:3 20.27 -11.82 C:4 19.06 -12.54 C:9 16.61 -9.71 C:10001 15.39 -11.82 C:8001 15.39 -10.41 C:9001 17.84 -10.41 C:4001 17.84 -11.82 1 10 1 2 11 1 3 12 1 4 18 2 5 14 1 6 7 2 6 14 1 7 20 1 8 14 2 8 19 1 9 15 2 9 21 1 10 15 1 11 16 1 12 17 1 13 19 1 13 22 1 15 16 1 16 17 2 17 22 1 18 20 1 18 21 1 19 20 2 21 22 2', '22 24 C 22.67 -10.41 C 21.45 -13.88 C 17.84 -14.58 O 16.61 -8.30 O 11.78 -12.54 C 12.97 -10.41 C 14.16 -9.71 C 14.16 -12.54 C 19.06 -9.71 O 21.45 -9.71 O 21.45 -12.54 O 19.06 -13.88 O 16.61 -12.54 C 12.97 -11.82 C 20.27 -10.41 C 20.27 -11.82 C 19.06 -12.54 C 16.61 -9.71 C 15.39 -11.82 C 15.39 -10.41 C 17.84 -10.41 C 17.84 -11.82 1 10 1 2 11 1 3 12 1 4 18 2 5 14 1 6 7 2 6 14 1 7 20 1 8 14 2 8 19 1 9 15 2 9 21 1 10 15 1 11 16 1 12 17 1 13 19 1 13 22 1 15 16 1 16 17 2 17 22 1 18 20 1 18 21 1 19 20 2 21 22 2', '22 24 C:56 22.67 -10.41 C:62 21.45 -13.88 C:62 17.84 -14.58 O 16.61 -8.30 O 11.78 -12.54 C:115 12.97 -10.41 C:129 14.16 -9.71 C:103 14.16 -12.54 C:102 19.06 -9.71 O 21.45 -9.71 O 21.45 -12.54 O 19.06 -13.88 O 16.61 -12.54 C:166 12.97 -11.82 C:151 20.27 -10.41 C:149 20.27 -11.82 C:142 19.06 -12.54 C:176 16.61 -9.71 C:159 15.39 -11.82 C:115 15.39 -10.41 C:119 17.84 -10.41 C:146 17.84 -11.82 1 10 1 2 11 1 3 12 1 4 18 2 5 14 1 6 7 2 6 14 1 7 20 1 8 14 2 8 19 1 9 15 2 9 21 1 10 15 1 11 16 1 12 17 1 13 19 1 13 22 1 15 16 1 16 17 2 17 22 1 18 20 1 18 21 1 19 20 2 21 22 2', 'C16H14O6', 302.168, 'P', 'cpb07_19_3', 3545, '', '', '1', 47, NULL, NULL),
(13803, '', '3,6-Dihydroxy-1,2-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O[CH3:1001]', 'COc3c(O)cc2oc1cc(O)ccc1c(=O)c2c3OC', '[CH3:61]O[c:140]3[c:158](O)[cH:101][c:155]2o[c:158]1[cH:103][c:165](O)[cH:114][cH:129][c:116]1[c:174](=O)[c:110]2[c:155]3O[CH3:62]', '21 23 C:2001 22.70 -11.77 C:1001 20.31 -8.95 O 16.66 -9.67 O 11.85 -13.89 O 21.48 -13.89 C:7 13.03 -11.77 C:8 14.22 -11.07 C:5 14.22 -13.89 C:4 19.10 -13.89 O 21.48 -11.07 O 19.10 -9.67 O 16.66 -13.89 C:6 13.03 -13.18 C:3 20.31 -13.18 C:2 20.31 -11.77 C:1 19.10 -11.07 C:9 16.66 -11.07 C:10001 15.45 -13.18 C:4001 17.89 -13.18 C:8001 15.45 -11.77 C:9001 17.89 -11.77 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 2 6 13 1 7 20 1 8 13 2 8 18 1 9 14 2 9 19 1 10 15 1 11 16 1 12 18 1 12 19 1 14 15 1 15 16 2 16 21 1 17 20 1 17 21 1 18 20 2 19 21 2', '21 23 C 22.70 -11.77 C 20.31 -8.95 O 16.66 -9.67 O 11.85 -13.89 O 21.48 -13.89 C 13.03 -11.77 C 14.22 -11.07 C 14.22 -13.89 C 19.10 -13.89 O 21.48 -11.07 O 19.10 -9.67 O 16.66 -13.89 C 13.03 -13.18 C 20.31 -13.18 C 20.31 -11.77 C 19.10 -11.07 C 16.66 -11.07 C 15.45 -13.18 C 17.89 -13.18 C 15.45 -11.77 C 17.89 -11.77 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 2 6 13 1 7 20 1 8 13 2 8 18 1 9 14 2 9 19 1 10 15 1 11 16 1 12 18 1 12 19 1 14 15 1 15 16 2 16 21 1 17 20 1 17 21 1 18 20 2 19 21 2', '21 23 C:61 22.70 -11.77 C:62 20.31 -8.95 O 16.66 -9.67 O 11.85 -13.89 O 21.48 -13.89 C:114 13.03 -11.77 C:129 14.22 -11.07 C:103 14.22 -13.89 C:101 19.10 -13.89 O 21.48 -11.07 O 19.10 -9.67 O 16.66 -13.89 C:165 13.03 -13.18 C:158 20.31 -13.18 C:140 20.31 -11.77 C:155 19.10 -11.07 C:174 16.66 -11.07 C:158 15.45 -13.18 C:155 17.89 -13.18 C:116 15.45 -11.77 C:110 17.89 -11.77 1 10 1 2 11 1 3 17 2 4 13 1 5 14 1 6 7 2 6 13 1 7 20 1 8 13 2 8 18 1 9 14 2 9 19 1 10 15 1 11 16 1 12 18 1 12 19 1 14 15 1 15 16 2 16 21 1 17 20 1 17 21 1 18 20 2 19 21 2', 'C15H12O6', 288.157, 'P', 'cpb07_19_4', 3545, '', '', '1', 47, NULL, NULL),
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(13813, 'GarciniaxanthoneD', '', 'Aromatics', 'Xanthones', '', '[CH2:105]=[CH:104][C:101]([CH3:103])([CH3:102])[c:2]4[cH:3][c:4](O)[c:4001]3o[c:10001]2[c:5]1O[C@@H:202]([C:203]([CH3:205])([CH3:204])O)[C@H:201](O)[c:6]1[cH:7][cH:8][c:8001]2[c:9](=O)[c:9001]3[c:1]4O', 'C=CC(C)(C)c4cc(O)c3oc2c1O[C@@H](C(C)(C)O)[C@H](O)c1ccc2c(=O)c3c4O', '[CH2:111]=[CH:147][C:40]([CH3:26])([CH3:26])[c:127]4[cH:123][c:136](O)[c:142]3o[c:141]2[c:147]1O[C@@H:98]([C:70]([CH3:26])([CH3:26])O)[C@H:72](O)[c:138]1[cH:121][cH:117][c:121]2[c:183](=O)[c:109]3[c:151]4O', '30 33 C:105 23.97 -8.77 C:103 21.55 -7.36 C:102 22.76 -9.47 C:205 12.59 -15.52 C:204 10.49 -14.32 O 16.70 -7.36 O 19.14 -12.94 O 19.14 -7.36 O 10.64 -11.53 O 11.19 -15.52 C:104 22.76 -8.05 C:7 13.06 -9.47 C:8 14.24 -8.77 C:3 20.35 -10.89 O 13.97 -12.94 O 16.70 -11.53 C:4 19.14 -11.53 C:1 19.14 -8.77 C:6 13.06 -10.89 C:5 14.24 -11.53 C:2 20.35 -9.47 C:9 16.70 -8.77 C:8001 15.48 -9.47 C:4001 17.93 -10.89 C:10001 15.48 -10.89 C:9001 17.93 -9.47 C:201 12.01 -11.82 C:202 12.59 -13.10 C:101 21.55 -8.77 C:203 11.89 -14.32 1 11 2 2 29 1 3 29 1 4 30 1 5 30 1 6 22 2 7 17 1 8 18 1 27 9 -2 10 30 1 11 29 1 12 13 2 12 19 1 13 23 1 14 17 2 14 21 1 15 20 1 15 28 1 16 24 1 16 25 1 17 24 1 18 21 2 18 26 1 19 20 2 19 27 1 20 25 1 21 29 1 22 23 1 22 26 1 23 25 2 24 26 2 27 28 1 28 30 -1', '30 33 C 23.97 -8.77 C 21.55 -7.36 C 22.76 -9.47 C 12.59 -15.52 C 10.49 -14.32 O 16.70 -7.36 O 19.14 -12.94 O 19.14 -7.36 O 10.64 -11.53 O 11.19 -15.52 C 22.76 -8.05 C 13.06 -9.47 C 14.24 -8.77 C 20.35 -10.89 O 13.97 -12.94 O 16.70 -11.53 C 19.14 -11.53 C 19.14 -8.77 C 13.06 -10.89 C 14.24 -11.53 C 20.35 -9.47 C 16.70 -8.77 C 15.48 -9.47 C 17.93 -10.89 C 15.48 -10.89 C 17.93 -9.47 C 12.01 -11.82 C 12.59 -13.10 C 21.55 -8.77 C 11.89 -14.32 1 11 2 2 29 1 3 29 1 4 30 1 5 30 1 6 22 2 7 17 1 8 18 1 27 9 -2 10 30 1 11 29 1 12 13 2 12 19 1 13 23 1 14 17 2 14 21 1 15 20 1 15 28 1 16 24 1 16 25 1 17 24 1 18 21 2 18 26 1 19 20 2 19 27 1 20 25 1 21 29 1 22 23 1 22 26 1 23 25 2 24 26 2 27 28 1 28 30 -1', '30 33 C:111 23.97 -8.77 C:26 21.55 -7.36 C:26 22.76 -9.47 C:26 12.59 -15.52 C:26 10.49 -14.32 O 16.70 -7.36 O 19.14 -12.94 O 19.14 -7.36 O 10.64 -11.53 O 11.19 -15.52 C:147 22.76 -8.05 C:121 13.06 -9.47 C:117 14.24 -8.77 C:123 20.35 -10.89 O 13.97 -12.94 O 16.70 -11.53 C:136 19.14 -11.53 C:151 19.14 -8.77 C:138 13.06 -10.89 C:147 14.24 -11.53 C:127 20.35 -9.47 C:183 16.70 -8.77 C:121 15.48 -9.47 C:142 17.93 -10.89 C:141 15.48 -10.89 C:109 17.93 -9.47 C:72 12.01 -11.82 C:98 12.59 -13.10 C:40 21.55 -8.77 C:70 11.89 -14.32 1 11 2 2 29 1 3 29 1 4 30 1 5 30 1 6 22 2 7 17 1 8 18 1 27 9 -2 10 30 1 11 29 1 12 13 2 12 19 1 13 23 1 14 17 2 14 21 1 15 20 1 15 28 1 16 24 1 16 25 1 17 24 1 18 21 2 18 26 1 19 20 2 19 27 1 20 25 1 21 29 1 22 23 1 22 26 1 23 25 2 24 26 2 27 28 1 28 30 -1', 'C23H24O7', 412.242, 'A', 'cpb95_347_1', 3548, '', '', '1', 47, NULL, NULL),
(13814, '', '1,4,5-Trihydroxyxanthone', 'Aromatics', 'Xanthones', '', 'O=[c:9]2[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]3[c:4](O)[cH:3][cH:2][c:1](O)[c:9001]23', 'O=c2c1cccc(O)c1oc3c(O)ccc(O)c23', 'O=[c:182]2[c:121]1[cH:115][cH:125][cH:121][c:146](O)[c:145]1o[c:143]3[c:137](O)[cH:123][cH:109][c:152](O)[c:108]23', '18 20 O 17.23 -8.64 O 14.75 -14.23 O 19.67 -14.23 O 19.67 -8.64 C:7 13.59 -10.75 C:6 13.59 -12.16 C:3 20.88 -12.16 C:2 20.88 -10.75 C:8 14.75 -10.05 O 17.23 -12.84 C:5 14.75 -12.84 C:4 19.67 -12.84 C:1 19.67 -10.05 C:9 17.23 -10.05 C:8001 16.01 -10.75 C:10001 16.01 -12.16 C:4001 18.46 -12.16 C:9001 18.46 -10.75 1 14 2 2 11 1 3 12 1 4 13 1 5 6 1 5 9 2 6 11 2 7 8 1 7 12 2 8 13 2 9 15 1 10 16 1 10 17 1 11 16 1 12 17 1 13 18 1 14 15 1 14 18 1 15 16 2 17 18 2', '18 20 O 17.23 -8.64 O 14.75 -14.23 O 19.67 -14.23 O 19.67 -8.64 C 13.59 -10.75 C 13.59 -12.16 C 20.88 -12.16 C 20.88 -10.75 C 14.75 -10.05 O 17.23 -12.84 C 14.75 -12.84 C 19.67 -12.84 C 19.67 -10.05 C 17.23 -10.05 C 16.01 -10.75 C 16.01 -12.16 C 18.46 -12.16 C 18.46 -10.75 1 14 2 2 11 1 3 12 1 4 13 1 5 6 1 5 9 2 6 11 2 7 8 1 7 12 2 8 13 2 9 15 1 10 16 1 10 17 1 11 16 1 12 17 1 13 18 1 14 15 1 14 18 1 15 16 2 17 18 2', '18 20 O 17.23 -8.64 O 14.75 -14.23 O 19.67 -14.23 O 19.67 -8.64 C:125 13.59 -10.75 C:121 13.59 -12.16 C:123 20.88 -12.16 C:109 20.88 -10.75 C:115 14.75 -10.05 O 17.23 -12.84 C:146 14.75 -12.84 C:137 19.67 -12.84 C:152 19.67 -10.05 C:182 17.23 -10.05 C:121 16.01 -10.75 C:145 16.01 -12.16 C:143 18.46 -12.16 C:108 18.46 -10.75 1 14 2 2 11 1 3 12 1 4 13 1 5 6 1 5 9 2 6 11 2 7 8 1 7 12 2 8 13 2 9 15 1 10 16 1 10 17 1 11 16 1 12 17 1 13 18 1 14 15 1 14 18 1 15 16 2 17 18 2', 'C13H8O5', 244.136, 'A', 'cpb95_347_2', 3548, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13815, '', '', 'Aromatics', 'Xanthones', '', '[CH2:105]=[CH:104][C:101]([CH3:103])([CH3:102])[c:2]4[cH:3][c:4](O)[c:4001]3o[c:10001]2[c:5]1O[C:203]([CH3:204])([CH3:205])[CH:202]=[CH:201][c:6]1[cH:7][cH:8][c:8001]2[c:9](=O)[c:9001]3[c:1]4O', 'C=CC(C)(C)c4cc(O)c3oc2c1OC(C)(C)C=Cc1ccc2c(=O)c3c4O', '[CH2:111]=[CH:147][C:40]([CH3:27])([CH3:27])[c:127]4[cH:123][c:135](O)[c:140]3o[c:145]2[c:141]1O[C:78]([CH3:28])([CH3:28])[CH:134]=[CH:122][c:129]1[cH:121][cH:118][c:121]2[c:182](=O)[c:109]3[c:153]4O', '28 31 C:105 23.31 -9.19 C:204 11.46 -15.11 C:205 13.43 -15.05 C:103 20.89 -7.78 C:102 22.10 -9.89 O 16.02 -7.78 O 18.48 -13.36 O 18.48 -7.78 C:104 22.10 -8.47 C:201 11.19 -12.01 C:202 11.19 -13.41 C:7 12.42 -9.89 C:8 13.60 -9.19 C:3 19.69 -11.31 O 13.60 -13.36 O 16.02 -11.95 C:4 18.48 -11.95 C:6 12.42 -11.31 C:1 18.48 -9.19 C:2 19.69 -9.89 C:5 13.60 -11.95 C:9 16.02 -9.19 C:8001 14.80 -9.89 C:4001 17.26 -11.31 C:10001 14.80 -11.31 C:9001 17.26 -9.89 C:203 12.42 -14.09 C:101 20.89 -9.19 1 9 2 2 27 1 3 27 1 4 28 1 5 28 1 6 22 2 7 17 1 8 19 1 9 28 1 10 11 2 10 18 1 11 27 1 12 13 2 12 18 1 13 23 1 14 17 2 14 20 1 15 21 1 15 27 1 16 24 1 16 25 1 17 24 1 18 21 2 19 20 2 19 26 1 20 28 1 21 25 1 22 23 1 22 26 1 23 25 2 24 26 2', '28 31 C 23.31 -9.19 C 11.46 -15.11 C 13.43 -15.05 C 20.89 -7.78 C 22.10 -9.89 O 16.02 -7.78 O 18.48 -13.36 O 18.48 -7.78 C 22.10 -8.47 C 11.19 -12.01 C 11.19 -13.41 C 12.42 -9.89 C 13.60 -9.19 C 19.69 -11.31 O 13.60 -13.36 O 16.02 -11.95 C 18.48 -11.95 C 12.42 -11.31 C 18.48 -9.19 C 19.69 -9.89 C 13.60 -11.95 C 16.02 -9.19 C 14.80 -9.89 C 17.26 -11.31 C 14.80 -11.31 C 17.26 -9.89 C 12.42 -14.09 C 20.89 -9.19 1 9 2 2 27 1 3 27 1 4 28 1 5 28 1 6 22 2 7 17 1 8 19 1 9 28 1 10 11 2 10 18 1 11 27 1 12 13 2 12 18 1 13 23 1 14 17 2 14 20 1 15 21 1 15 27 1 16 24 1 16 25 1 17 24 1 18 21 2 19 20 2 19 26 1 20 28 1 21 25 1 22 23 1 22 26 1 23 25 2 24 26 2', '28 31 C:111 23.31 -9.19 C:28 11.46 -15.11 C:28 13.43 -15.05 C:27 20.89 -7.78 C:27 22.10 -9.89 O 16.02 -7.78 O 18.48 -13.36 O 18.48 -7.78 C:147 22.10 -8.47 C:122 11.19 -12.01 C:134 11.19 -13.41 C:121 12.42 -9.89 C:118 13.60 -9.19 C:123 19.69 -11.31 O 13.60 -13.36 O 16.02 -11.95 C:135 18.48 -11.95 C:129 12.42 -11.31 C:153 18.48 -9.19 C:127 19.69 -9.89 C:141 13.60 -11.95 C:182 16.02 -9.19 C:121 14.80 -9.89 C:140 17.26 -11.31 C:145 14.80 -11.31 C:109 17.26 -9.89 C:78 12.42 -14.09 C:40 20.89 -9.19 1 9 2 2 27 1 3 27 1 4 28 1 5 28 1 6 22 2 7 17 1 8 19 1 9 28 1 10 11 2 10 18 1 11 27 1 12 13 2 12 18 1 13 23 1 14 17 2 14 20 1 15 21 1 15 27 1 16 24 1 16 25 1 17 24 1 18 21 2 19 20 2 19 26 1 20 28 1 21 25 1 22 23 1 22 26 1 23 25 2 24 26 2', 'C23H22O5', 378.243, 'A', 'cpb95_347_3', 3548, '', '', '1', 47, NULL, NULL),
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(13828, 'Morinthone', '4-Methoxy-3-heptadecylxanthone', 'Aromatics', 'Xanthones', '', '[CH3:117][CH2:116][CH2:115][CH2:114][CH2:113][CH2:112][CH2:111][CH2:110][CH2:109][CH2:108][CH2:107][CH2:106][CH2:105][CH2:104][CH2:103][CH2:102][CH2:101][c:3]3[cH:2][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]3O[CH3:201]', 'CCCCCCCCCCCCCCCCCc3ccc2c(=O)c1ccccc1oc2c3OC', '[CH3:14][CH2:23][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:22][CH2:34][c:133]3[cH:122][cH:126][c:127]2[c:182](=O)[c:125]1[cH:127][cH:134][cH:127][cH:114][c:158]1o[c:148]2[c:150]3O[CH3:62]', '34 36 C:117 17.88 -14.54 C:201 12.99 -14.54 O 11.78 -8.26 C:6 8.19 -11.76 C:7 8.19 -10.35 C:2 15.45 -10.35 C:5 9.39 -12.46 C:8 9.39 -9.65 C:1 14.20 -9.65 C:116 19.08 -13.84 C:115 20.30 -14.54 C:114 21.51 -13.84 C:113 22.72 -14.54 C:112 23.93 -13.84 C:111 25.15 -14.54 C:110 26.36 -13.84 C:109 26.36 -12.41 C:108 25.15 -11.70 C:107 23.93 -12.41 C:106 22.72 -11.70 C:105 21.51 -12.41 C:104 20.30 -11.76 C:103 19.08 -12.46 C:102 17.88 -11.76 C:101 16.67 -12.46 O 14.20 -13.84 O 11.78 -12.46 C:3 15.45 -11.76 C:4 14.20 -12.46 C:9 11.78 -9.65 C:10001 10.56 -11.76 C:8001 10.56 -10.35 C:9001 12.99 -10.35 C:4001 12.99 -11.76 1 10 1 2 26 1 3 30 2 4 5 1 4 7 2 5 8 2 6 9 2 6 28 1 7 31 1 8 32 1 9 33 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 28 1 26 29 1 27 31 1 27 34 1 28 29 2 29 34 1 30 32 1 30 33 1 31 32 2 33 34 2', '34 36 C 17.88 -14.54 C 12.99 -14.54 O 11.78 -8.26 C 8.19 -11.76 C 8.19 -10.35 C 15.45 -10.35 C 9.39 -12.46 C 9.39 -9.65 C 14.20 -9.65 C 19.08 -13.84 C 20.30 -14.54 C 21.51 -13.84 C 22.72 -14.54 C 23.93 -13.84 C 25.15 -14.54 C 26.36 -13.84 C 26.36 -12.41 C 25.15 -11.70 C 23.93 -12.41 C 22.72 -11.70 C 21.51 -12.41 C 20.30 -11.76 C 19.08 -12.46 C 17.88 -11.76 C 16.67 -12.46 O 14.20 -13.84 O 11.78 -12.46 C 15.45 -11.76 C 14.20 -12.46 C 11.78 -9.65 C 10.56 -11.76 C 10.56 -10.35 C 12.99 -10.35 C 12.99 -11.76 1 10 1 2 26 1 3 30 2 4 5 1 4 7 2 5 8 2 6 9 2 6 28 1 7 31 1 8 32 1 9 33 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 28 1 26 29 1 27 31 1 27 34 1 28 29 2 29 34 1 30 32 1 30 33 1 31 32 2 33 34 2', '34 36 C:14 17.88 -14.54 C:62 12.99 -14.54 O 11.78 -8.26 C:127 8.19 -11.76 C:134 8.19 -10.35 C:122 15.45 -10.35 C:114 9.39 -12.46 C:127 9.39 -9.65 C:126 14.20 -9.65 C:23 19.08 -13.84 C:22 20.30 -14.54 C:22 21.51 -13.84 C:22 22.72 -14.54 C:22 23.93 -13.84 C:22 25.15 -14.54 C:22 26.36 -13.84 C:22 26.36 -12.41 C:22 25.15 -11.70 C:22 23.93 -12.41 C:22 22.72 -11.70 C:22 21.51 -12.41 C:22 20.30 -11.76 C:22 19.08 -12.46 C:22 17.88 -11.76 C:34 16.67 -12.46 O 14.20 -13.84 O 11.78 -12.46 C:133 15.45 -11.76 C:150 14.20 -12.46 C:182 11.78 -9.65 C:158 10.56 -11.76 C:125 10.56 -10.35 C:127 12.99 -10.35 C:148 12.99 -11.76 1 10 1 2 26 1 3 30 2 4 5 1 4 7 2 5 8 2 6 9 2 6 28 1 7 31 1 8 32 1 9 33 1 10 11 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 28 1 26 29 1 27 31 1 27 34 1 28 29 2 29 34 1 30 32 1 30 33 1 31 32 2 33 34 2', 'C31H44O3', 464.33, 'C', 'apr07_793_2', 3552, '', '', '1', 47, NULL, NULL),
(13829, '', '1,2-Dihydroxyxanthone', 'Aromatics', 'Xanthones', '', 'O=[c:9]2[c:8001]1[cH:8][cH:7][cH:6][cH:5][c:10001]1o[c:4001]3[cH:4][cH:3][c:2](O)[c:1](O)[c:9001]23', 'O=c2c1ccccc1oc3ccc(O)c(O)c23', 'O=[c:182]2[c:119]1[cH:125][cH:124][cH:136][cH:118][c:156]1o[c:148]3[cH:106][cH:125][c:140](O)[c:148](O)[c:109]23', '17 19 O 16.65 -9.30 O 21.51 -10.71 O 19.09 -9.30 C:6 13.04 -12.83 C:7 13.04 -11.42 C:3 20.30 -12.83 C:5 14.23 -13.51 C:8 14.23 -10.71 C:4 19.09 -13.51 O 16.65 -13.51 C:2 20.30 -11.42 C:1 19.09 -10.71 C:9 16.65 -10.71 C:10001 15.45 -12.83 C:4001 17.88 -12.83 C:8001 15.45 -11.42 C:9001 17.88 -11.42 1 13 2 2 11 1 3 12 1 4 5 2 4 7 1 5 8 1 6 9 2 6 11 1 7 14 2 8 16 2 9 15 1 10 14 1 10 15 1 11 12 2 12 17 1 13 16 1 13 17 1 14 16 1 15 17 2', '17 19 O 16.65 -9.30 O 21.51 -10.71 O 19.09 -9.30 C 13.04 -12.83 C 13.04 -11.42 C 20.30 -12.83 C 14.23 -13.51 C 14.23 -10.71 C 19.09 -13.51 O 16.65 -13.51 C 20.30 -11.42 C 19.09 -10.71 C 16.65 -10.71 C 15.45 -12.83 C 17.88 -12.83 C 15.45 -11.42 C 17.88 -11.42 1 13 2 2 11 1 3 12 1 4 5 2 4 7 1 5 8 1 6 9 2 6 11 1 7 14 2 8 16 2 9 15 1 10 14 1 10 15 1 11 12 2 12 17 1 13 16 1 13 17 1 14 16 1 15 17 2', '17 19 O 16.65 -9.30 O 21.51 -10.71 O 19.09 -9.30 C:136 13.04 -12.83 C:124 13.04 -11.42 C:125 20.30 -12.83 C:118 14.23 -13.51 C:125 14.23 -10.71 C:106 19.09 -13.51 O 16.65 -13.51 C:140 20.30 -11.42 C:148 19.09 -10.71 C:182 16.65 -10.71 C:156 15.45 -12.83 C:148 17.88 -12.83 C:119 15.45 -11.42 C:109 17.88 -11.42 1 13 2 2 11 1 3 12 1 4 5 2 4 7 1 5 8 1 6 9 2 6 11 1 7 14 2 8 16 2 9 15 1 10 14 1 10 15 1 11 12 2 12 17 1 13 16 1 13 17 1 14 16 1 15 17 2', 'C13H8O4', 228.137, 'D', 'bmc02_3219_10', 3553, '', '', '1', 47, NULL, NULL),
(13830, '', '1,2-Dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:201]O[c:2]3[cH:3][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[CH3:101]', 'COc3ccc2oc1ccccc1c(=O)c2c3OC', '[CH3:57]O[c:150]3[cH:118][cH:113][c:148]2o[c:155]1[cH:121][cH:135][cH:124][cH:126][c:121]1[c:175](=O)[c:116]2[c:149]3O[CH3:61]', '19 21 C:201 22.09 -11.79 C:101 19.66 -8.97 O 16.01 -9.67 C:6 12.40 -13.20 C:7 12.40 -11.79 C:3 19.66 -13.20 C:5 13.59 -13.88 C:8 13.59 -11.08 C:4 18.45 -13.88 O 20.87 -11.08 O 18.45 -9.67 O 16.01 -13.88 C:2 19.66 -11.79 C:1 18.45 -11.08 C:9 16.01 -11.08 C:10001 14.81 -13.20 C:4001 17.24 -13.20 C:8001 14.81 -11.79 C:9001 17.24 -11.79 1 10 1 2 11 1 3 15 2 4 5 2 4 7 1 5 8 1 6 9 2 6 13 1 7 16 2 8 18 2 9 17 1 10 13 1 11 14 1 12 16 1 12 17 1 13 14 2 14 19 1 15 18 1 15 19 1 16 18 1 17 19 2', '19 21 C 22.09 -11.79 C 19.66 -8.97 O 16.01 -9.67 C 12.40 -13.20 C 12.40 -11.79 C 19.66 -13.20 C 13.59 -13.88 C 13.59 -11.08 C 18.45 -13.88 O 20.87 -11.08 O 18.45 -9.67 O 16.01 -13.88 C 19.66 -11.79 C 18.45 -11.08 C 16.01 -11.08 C 14.81 -13.20 C 17.24 -13.20 C 14.81 -11.79 C 17.24 -11.79 1 10 1 2 11 1 3 15 2 4 5 2 4 7 1 5 8 1 6 9 2 6 13 1 7 16 2 8 18 2 9 17 1 10 13 1 11 14 1 12 16 1 12 17 1 13 14 2 14 19 1 15 18 1 15 19 1 16 18 1 17 19 2', '19 21 C:57 22.09 -11.79 C:61 19.66 -8.97 O 16.01 -9.67 C:135 12.40 -13.20 C:124 12.40 -11.79 C:118 19.66 -13.20 C:121 13.59 -13.88 C:126 13.59 -11.08 C:113 18.45 -13.88 O 20.87 -11.08 O 18.45 -9.67 O 16.01 -13.88 C:150 19.66 -11.79 C:149 18.45 -11.08 C:175 16.01 -11.08 C:155 14.81 -13.20 C:148 17.24 -13.20 C:121 14.81 -11.79 C:116 17.24 -11.79 1 10 1 2 11 1 3 15 2 4 5 2 4 7 1 5 8 1 6 9 2 6 13 1 7 16 2 8 18 2 9 17 1 10 13 1 11 14 1 12 16 1 12 17 1 13 14 2 14 19 1 15 18 1 15 19 1 16 18 1 17 19 2', 'C15H12O4', 256.158, 'D', 'bmc02_3219_11', 3553, '', '', '1', 47, NULL, NULL),
(13831, '', '2,3-Dihydroxyxanthone', 'Aromatics', 'Xanthones', '', 'O=[c:9]2[c:8001]1[cH:8][cH:7][cH:6][cH:5][c:10001]1o[c:4001]3[cH:4][c:3](O)[c:2](O)[cH:1][c:9001]23', 'O=c2c1ccccc1oc3cc(O)c(O)cc23', 'O=[c:175]2[c:121]1[cH:126][cH:124][cH:135][cH:118][c:156]1o[c:154]3[cH:103][c:151](O)[c:144](O)[cH:109][c:114]23', '17 19 O 16.60 -9.29 O 21.46 -13.51 O 21.46 -10.71 C:6 12.99 -12.83 C:7 12.99 -11.42 C:5 14.18 -13.51 C:8 14.18 -10.71 C:4 19.05 -13.51 C:1 19.05 -10.71 O 16.60 -13.51 C:3 20.26 -12.83 C:2 20.26 -11.42 C:9 16.60 -10.71 C:10001 15.40 -12.83 C:4001 17.83 -12.83 C:8001 15.40 -11.42 C:9001 17.83 -11.42 1 13 2 2 11 1 3 12 1 4 5 2 4 6 1 5 7 1 6 14 2 7 16 2 8 11 2 8 15 1 9 12 2 9 17 1 10 14 1 10 15 1 11 12 1 13 16 1 13 17 1 14 16 1 15 17 2', '17 19 O 16.60 -9.29 O 21.46 -13.51 O 21.46 -10.71 C 12.99 -12.83 C 12.99 -11.42 C 14.18 -13.51 C 14.18 -10.71 C 19.05 -13.51 C 19.05 -10.71 O 16.60 -13.51 C 20.26 -12.83 C 20.26 -11.42 C 16.60 -10.71 C 15.40 -12.83 C 17.83 -12.83 C 15.40 -11.42 C 17.83 -11.42 1 13 2 2 11 1 3 12 1 4 5 2 4 6 1 5 7 1 6 14 2 7 16 2 8 11 2 8 15 1 9 12 2 9 17 1 10 14 1 10 15 1 11 12 1 13 16 1 13 17 1 14 16 1 15 17 2', '17 19 O 16.60 -9.29 O 21.46 -13.51 O 21.46 -10.71 C:135 12.99 -12.83 C:124 12.99 -11.42 C:118 14.18 -13.51 C:126 14.18 -10.71 C:103 19.05 -13.51 C:109 19.05 -10.71 O 16.60 -13.51 C:151 20.26 -12.83 C:144 20.26 -11.42 C:175 16.60 -10.71 C:156 15.40 -12.83 C:154 17.83 -12.83 C:121 15.40 -11.42 C:114 17.83 -11.42 1 13 2 2 11 1 3 12 1 4 5 2 4 6 1 5 7 1 6 14 2 7 16 2 8 11 2 8 15 1 9 12 2 9 17 1 10 14 1 10 15 1 11 12 1 13 16 1 13 17 1 14 16 1 15 17 2', 'C13H8O4', 228.137, 'D', 'bmc02_3219_12', 3553, '', '', '1', 47, NULL, NULL),
(13832, '', '2,3-Dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]3[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[cH:1][c:2]3O[CH3:2001]', 'COc3cc2oc1ccccc1c(=O)c2cc3OC', '[CH3:57]O[c:152]3[cH:101][c:156]2o[c:156]1[cH:118][cH:135][cH:124][cH:126][c:121]1[c:175](=O)[c:114]2[cH:105][c:147]3O[CH3:56]', '19 21 C:3001 20.89 -14.22 C:2001 22.09 -10.73 O 16.02 -8.61 C:6 12.41 -12.14 C:7 12.41 -10.73 C:5 13.59 -12.82 C:8 13.59 -10.02 C:4 18.47 -12.82 C:1 18.47 -10.02 O 20.89 -12.82 O 20.89 -10.02 O 16.02 -12.82 C:3 19.68 -12.14 C:2 19.68 -10.73 C:9 16.02 -10.02 C:10001 14.81 -12.14 C:4001 17.25 -12.14 C:8001 14.81 -10.73 C:9001 17.25 -10.73 1 10 1 2 11 1 3 15 2 4 5 2 4 6 1 5 7 1 6 16 2 7 18 2 8 13 2 8 17 1 9 14 2 9 19 1 10 13 1 11 14 1 12 16 1 12 17 1 13 14 1 15 18 1 15 19 1 16 18 1 17 19 2', '19 21 C 20.89 -14.22 C 22.09 -10.73 O 16.02 -8.61 C 12.41 -12.14 C 12.41 -10.73 C 13.59 -12.82 C 13.59 -10.02 C 18.47 -12.82 C 18.47 -10.02 O 20.89 -12.82 O 20.89 -10.02 O 16.02 -12.82 C 19.68 -12.14 C 19.68 -10.73 C 16.02 -10.02 C 14.81 -12.14 C 17.25 -12.14 C 14.81 -10.73 C 17.25 -10.73 1 10 1 2 11 1 3 15 2 4 5 2 4 6 1 5 7 1 6 16 2 7 18 2 8 13 2 8 17 1 9 14 2 9 19 1 10 13 1 11 14 1 12 16 1 12 17 1 13 14 1 15 18 1 15 19 1 16 18 1 17 19 2', '19 21 C:57 20.89 -14.22 C:56 22.09 -10.73 O 16.02 -8.61 C:135 12.41 -12.14 C:124 12.41 -10.73 C:118 13.59 -12.82 C:126 13.59 -10.02 C:101 18.47 -12.82 C:105 18.47 -10.02 O 20.89 -12.82 O 20.89 -10.02 O 16.02 -12.82 C:152 19.68 -12.14 C:147 19.68 -10.73 C:175 16.02 -10.02 C:156 14.81 -12.14 C:156 17.25 -12.14 C:121 14.81 -10.73 C:114 17.25 -10.73 1 10 1 2 11 1 3 15 2 4 5 2 4 6 1 5 7 1 6 16 2 7 18 2 8 13 2 8 17 1 9 14 2 9 19 1 10 13 1 11 14 1 12 16 1 12 17 1 13 14 1 15 18 1 15 19 1 16 18 1 17 19 2', 'C15H12O4', 256.158, 'D', 'bmc02_3219_13', 3553, '', '', '1', 47, NULL, NULL),
(13833, 'Cudratricusxanthone A', '', 'Aromatics', 'Xanthones', '', '[CH2:105]=[CH:104][C:101]([CH3:102])([CH3:103])[c:4]2[c:3](O)[cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]1[c:8]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:7](O)[c:6](O)[cH:5][c:10001]1o[c:4001]23', 'C=CC(C)(C)c2c(O)cc(O)c3c(=O)c1c(CC=C(C)C)c(O)c(O)cc1oc23', '[CH2:108]=[CH:152][C:42]([CH3:30])([CH3:30])[c:111]2[c:164](O)[cH:100][c:163](O)[c:105]3[c:184](=O)[c:112]1[c:129]([CH2:27][CH:125]=[C:132]([CH3:19])[CH3:26])[c:142](O)[c:154](O)[cH:101][c:153]1o[c:156]23', '29 31 C:105 18.45 -16.68 C:205 14.80 -6.18 C:204 17.23 -6.18 C:102 18.45 -15.28 C:103 20.87 -15.28 O 17.23 -8.98 O 12.41 -13.23 O 22.07 -13.23 O 19.66 -8.98 O 12.41 -10.38 C:104 19.66 -15.98 C:202 16.02 -8.28 C:2 20.87 -11.09 C:5 14.80 -13.18 C:201 14.80 -8.98 O 17.23 -13.18 C:203 16.02 -6.88 C:6 13.61 -12.50 C:3 20.87 -12.50 C:1 19.66 -10.38 C:7 13.61 -11.09 C:8 14.80 -10.38 C:4 19.66 -13.18 C:9 17.23 -10.38 C:10001 16.02 -12.50 C:4001 18.45 -12.50 C:9001 18.45 -11.09 C:8001 16.02 -11.09 C:101 19.66 -14.58 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 19 1 13 20 2 14 18 1 14 25 2 15 22 1 16 25 1 16 26 1 18 21 2 19 23 2 20 27 1 21 22 1 22 28 2 23 26 1 23 29 1 24 27 1 24 28 1 25 28 1 26 27 2', '29 31 C 18.45 -16.68 C 14.80 -6.18 C 17.23 -6.18 C 18.45 -15.28 C 20.87 -15.28 O 17.23 -8.98 O 12.41 -13.23 O 22.07 -13.23 O 19.66 -8.98 O 12.41 -10.38 C 19.66 -15.98 C 16.02 -8.28 C 20.87 -11.09 C 14.80 -13.18 C 14.80 -8.98 O 17.23 -13.18 C 16.02 -6.88 C 13.61 -12.50 C 20.87 -12.50 C 19.66 -10.38 C 13.61 -11.09 C 14.80 -10.38 C 19.66 -13.18 C 17.23 -10.38 C 16.02 -12.50 C 18.45 -12.50 C 18.45 -11.09 C 16.02 -11.09 C 19.66 -14.58 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 19 1 13 20 2 14 18 1 14 25 2 15 22 1 16 25 1 16 26 1 18 21 2 19 23 2 20 27 1 21 22 1 22 28 2 23 26 1 23 29 1 24 27 1 24 28 1 25 28 1 26 27 2', '29 31 C:108 18.45 -16.68 C:19 14.80 -6.18 C:26 17.23 -6.18 C:30 18.45 -15.28 C:30 20.87 -15.28 O 17.23 -8.98 O 12.41 -13.23 O 22.07 -13.23 O 19.66 -8.98 O 12.41 -10.38 C:152 19.66 -15.98 C:125 16.02 -8.28 C:100 20.87 -11.09 C:101 14.80 -13.18 C:27 14.80 -8.98 O 17.23 -13.18 C:132 16.02 -6.88 C:154 13.61 -12.50 C:164 20.87 -12.50 C:163 19.66 -10.38 C:142 13.61 -11.09 C:129 14.80 -10.38 C:111 19.66 -13.18 C:184 17.23 -10.38 C:153 16.02 -12.50 C:156 18.45 -12.50 C:105 18.45 -11.09 C:112 16.02 -11.09 C:42 19.66 -14.58 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 19 1 13 20 2 14 18 1 14 25 2 15 22 1 16 25 1 16 26 1 18 21 2 19 23 2 20 27 1 21 22 1 22 28 2 23 26 1 23 29 1 24 27 1 24 28 1 25 28 1 26 27 2', 'C23H24O6', 396.242, 'A', 'bmc04_1947_1', 3554, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13834, 'Cudratricusxanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]([CH3:104])=[CH:102][CH2:101][c:4]2[c:3](O)[cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]1[c:8]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:7](O)[c:6](O)[cH:5][c:10001]1o[c:4001]23', 'CC(C)=CCc2c(O)cc(O)c3c(=O)c1c(CC=C(C)C)c(O)c(O)cc1oc23', '[CH3:26][C:131]([CH3:18])=[CH:124][CH2:22][c:106]2[c:162](O)[cH:98][c:162](O)[c:104]3[c:183](=O)[c:112]1[c:129]([CH2:26][CH:125]=[C:131]([CH3:18])[CH3:26])[c:142](O)[c:154](O)[cH:101][c:152]1o[c:155]23', '29 31 C:105 17.22 -17.03 C:104 19.64 -17.03 C:205 14.80 -5.84 C:204 17.22 -5.84 O 17.22 -8.63 O 22.05 -12.90 O 12.41 -12.90 O 19.64 -8.63 O 12.41 -10.04 C:102 18.43 -14.95 C:202 16.00 -7.94 C:2 20.85 -10.77 C:5 14.80 -12.85 C:101 19.64 -14.25 C:201 14.80 -8.63 O 17.22 -12.85 C:103 18.43 -16.33 C:203 16.00 -6.54 C:3 20.85 -12.17 C:6 13.61 -12.17 C:1 19.64 -10.04 C:7 13.61 -10.77 C:4 19.64 -12.85 C:8 14.80 -10.04 C:9 17.22 -10.04 C:10001 16.00 -12.17 C:4001 18.43 -12.17 C:9001 18.43 -10.77 C:8001 16.00 -10.77 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 21 2 13 20 1 13 26 2 14 23 1 15 24 1 16 26 1 16 27 1 19 23 2 20 22 2 21 28 1 22 24 1 23 27 1 24 29 2 25 28 1 25 29 1 26 29 1 27 28 2', '29 31 C 17.22 -17.03 C 19.64 -17.03 C 14.80 -5.84 C 17.22 -5.84 O 17.22 -8.63 O 22.05 -12.90 O 12.41 -12.90 O 19.64 -8.63 O 12.41 -10.04 C 18.43 -14.95 C 16.00 -7.94 C 20.85 -10.77 C 14.80 -12.85 C 19.64 -14.25 C 14.80 -8.63 O 17.22 -12.85 C 18.43 -16.33 C 16.00 -6.54 C 20.85 -12.17 C 13.61 -12.17 C 19.64 -10.04 C 13.61 -10.77 C 19.64 -12.85 C 14.80 -10.04 C 17.22 -10.04 C 16.00 -12.17 C 18.43 -12.17 C 18.43 -10.77 C 16.00 -10.77 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 21 2 13 20 1 13 26 2 14 23 1 15 24 1 16 26 1 16 27 1 19 23 2 20 22 2 21 28 1 22 24 1 23 27 1 24 29 2 25 28 1 25 29 1 26 29 1 27 28 2', '29 31 C:26 17.22 -17.03 C:18 19.64 -17.03 C:18 14.80 -5.84 C:26 17.22 -5.84 O 17.22 -8.63 O 22.05 -12.90 O 12.41 -12.90 O 19.64 -8.63 O 12.41 -10.04 C:124 18.43 -14.95 C:125 16.00 -7.94 C:98 20.85 -10.77 C:101 14.80 -12.85 C:22 19.64 -14.25 C:26 14.80 -8.63 O 17.22 -12.85 C:131 18.43 -16.33 C:131 16.00 -6.54 C:162 20.85 -12.17 C:154 13.61 -12.17 C:162 19.64 -10.04 C:142 13.61 -10.77 C:106 19.64 -12.85 C:129 14.80 -10.04 C:183 17.22 -10.04 C:152 16.00 -12.17 C:155 18.43 -12.17 C:104 18.43 -10.77 C:112 16.00 -10.77 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 21 2 13 20 1 13 26 2 14 23 1 15 24 1 16 26 1 16 27 1 19 23 2 20 22 2 21 28 1 22 24 1 23 27 1 24 29 2 25 28 1 25 29 1 26 29 1 27 28 2', 'C23H24O6', 396.242, 'A', 'bmc04_1947_2', 3554, '', '', '1', 47, NULL, NULL),
(13835, 'Cudratricusxanthone C', '', 'Aromatics', 'Xanthones', '', '[CH3:103][C@H:102]4O[c:3]3[cH:2][c:1](O)[c:9001]2[c:9](=O)[c:8001]1[c:8]([CH2:201][CH2:202][C:203]([CH3:205])([CH3:204])O)[c:7](O)[c:6](O)[cH:5][c:10001]1o[c:4001]2[c:4]3[C@@:101]4([CH3:105])[CH3:104]', 'C[C@H]4Oc3cc(O)c2c(=O)c1c(CCC(C)(C)O)c(O)c(O)cc1oc2c3[C@@]4(C)C', '[CH3:15][C@H:92]4O[c:166]3[cH:94][c:165](O)[c:105]2[c:183](=O)[c:112]1[c:132]([CH2:23][CH2:44][C:71]([CH3:30])([CH3:30])O)[c:142](O)[c:154](O)[cH:101][c:154]1o[c:153]2[c:113]3[C@@:44]4([CH3:26])[CH3:22]', '30 33 C:103 22.07 -16.69 C:205 14.86 -6.89 C:204 12.46 -6.89 C:105 19.66 -16.69 C:104 18.61 -15.72 O 17.26 -9.73 O 12.46 -14.01 O 19.71 -9.73 O 12.46 -11.07 O 13.64 -6.21 C:2 20.91 -11.82 C:5 14.77 -13.91 C:201 14.77 -9.73 C:202 13.64 -9.01 O 21.96 -14.18 O 17.26 -13.91 C:6 13.64 -13.23 C:1 19.71 -11.13 C:3 20.91 -13.23 C:7 13.64 -11.82 C:8 14.77 -11.13 C:4 19.71 -13.91 C:9 17.26 -11.13 C:10001 16.06 -13.23 C:4001 18.49 -13.23 C:9001 18.49 -11.82 C:8001 16.06 -11.82 C:102 21.37 -15.47 C:203 13.64 -7.61 C:101 19.97 -15.31 28 1 -2 2 29 1 3 29 1 30 4 -1 30 5 -2 6 23 2 7 17 1 8 18 1 9 20 1 10 29 1 11 18 2 11 19 1 12 17 1 12 24 2 13 14 1 13 21 1 14 29 1 15 19 1 15 28 1 16 24 1 16 25 1 17 20 2 18 26 1 19 22 2 20 21 1 21 27 2 22 25 1 22 30 1 23 26 1 23 27 1 24 27 1 25 26 2 28 30 1', '30 33 C 22.07 -16.69 C 14.86 -6.89 C 12.46 -6.89 C 19.66 -16.69 C 18.61 -15.72 O 17.26 -9.73 O 12.46 -14.01 O 19.71 -9.73 O 12.46 -11.07 O 13.64 -6.21 C 20.91 -11.82 C 14.77 -13.91 C 14.77 -9.73 C 13.64 -9.01 O 21.96 -14.18 O 17.26 -13.91 C 13.64 -13.23 C 19.71 -11.13 C 20.91 -13.23 C 13.64 -11.82 C 14.77 -11.13 C 19.71 -13.91 C 17.26 -11.13 C 16.06 -13.23 C 18.49 -13.23 C 18.49 -11.82 C 16.06 -11.82 C 21.37 -15.47 C 13.64 -7.61 C 19.97 -15.31 28 1 -2 2 29 1 3 29 1 30 4 -1 30 5 -2 6 23 2 7 17 1 8 18 1 9 20 1 10 29 1 11 18 2 11 19 1 12 17 1 12 24 2 13 14 1 13 21 1 14 29 1 15 19 1 15 28 1 16 24 1 16 25 1 17 20 2 18 26 1 19 22 2 20 21 1 21 27 2 22 25 1 22 30 1 23 26 1 23 27 1 24 27 1 25 26 2 28 30 1', '30 33 C:15 22.07 -16.69 C:30 14.86 -6.89 C:30 12.46 -6.89 C:26 19.66 -16.69 C:22 18.61 -15.72 O 17.26 -9.73 O 12.46 -14.01 O 19.71 -9.73 O 12.46 -11.07 O 13.64 -6.21 C:94 20.91 -11.82 C:101 14.77 -13.91 C:23 14.77 -9.73 C:44 13.64 -9.01 O 21.96 -14.18 O 17.26 -13.91 C:154 13.64 -13.23 C:165 19.71 -11.13 C:166 20.91 -13.23 C:142 13.64 -11.82 C:132 14.77 -11.13 C:113 19.71 -13.91 C:183 17.26 -11.13 C:154 16.06 -13.23 C:153 18.49 -13.23 C:105 18.49 -11.82 C:112 16.06 -11.82 C:92 21.37 -15.47 C:71 13.64 -7.61 C:44 19.97 -15.31 28 1 -2 2 29 1 3 29 1 30 4 -1 30 5 -2 6 23 2 7 17 1 8 18 1 9 20 1 10 29 1 11 18 2 11 19 1 12 17 1 12 24 2 13 14 1 13 21 1 14 29 1 15 19 1 15 28 1 16 24 1 16 25 1 17 20 2 18 26 1 19 22 2 20 21 1 21 27 2 22 25 1 22 30 1 23 26 1 23 27 1 24 27 1 25 26 2 28 30 1', 'C23H26O7', 414.242, 'A', 'bmc04_1947_3', 3554, '', '', '1', 47, NULL, NULL),
(13836, 'Cudratricusxanthone D', '', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]([CH3:104])=[CH:102][CH2:101][c:2]4[c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][c:7](O)[c:6](O)[cH:5][c:10001]1o[c:4001]2[c:4]3[CH:201]=[CH:202][C@@:203]([CH3:205])([CH3:204])O[c:3]34', 'CC(C)=CCc4c(O)c2c(=O)c1cc(O)c(O)cc1oc2c3C=C[C@@](C)(C)Oc34', '[CH3:26][C:132]([CH3:18])=[CH:123][CH2:22][c:112]4[c:161](O)[c:103]2[c:181](=O)[c:114]1[cH:109][c:144](O)[c:154](O)[cH:104][c:153]1o[c:151]2[c:101]3[CH:116]=[CH:128][C@@:79]([CH3:28])([CH3:28])O[c:158]34', '29 32 C:105 23.87 -10.08 C:104 22.65 -7.94 C:205 20.59 -14.95 C:204 21.61 -13.26 O 15.40 -8.01 O 10.58 -12.20 O 10.58 -9.37 O 17.84 -8.01 C:201 17.84 -13.57 C:202 19.03 -14.27 C:102 21.46 -10.08 C:5 12.97 -12.20 C:8 12.97 -9.37 C:101 20.25 -9.37 O 20.25 -12.20 O 15.40 -12.20 C:103 22.65 -9.37 C:6 11.77 -11.49 C:7 11.77 -10.08 C:1 17.84 -9.37 C:4 17.84 -12.20 C:2 19.03 -10.08 C:3 19.03 -11.49 C:9 15.40 -9.37 C:10001 14.18 -11.49 C:8001 14.18 -10.08 C:4001 16.64 -11.49 C:9001 16.64 -10.08 C:203 20.25 -13.57 1 17 1 2 17 1 29 3 -1 29 4 -2 5 24 2 6 18 1 7 19 1 8 20 1 9 10 2 9 21 1 10 29 1 11 14 1 11 17 2 12 18 2 12 25 1 13 19 2 13 26 1 14 22 1 15 23 1 15 29 1 16 25 1 16 27 1 18 19 1 20 22 2 20 28 1 21 23 2 21 27 1 22 23 1 24 26 1 24 28 1 25 26 2 27 28 2', '29 32 C 23.87 -10.08 C 22.65 -7.94 C 20.59 -14.95 C 21.61 -13.26 O 15.40 -8.01 O 10.58 -12.20 O 10.58 -9.37 O 17.84 -8.01 C 17.84 -13.57 C 19.03 -14.27 C 21.46 -10.08 C 12.97 -12.20 C 12.97 -9.37 C 20.25 -9.37 O 20.25 -12.20 O 15.40 -12.20 C 22.65 -9.37 C 11.77 -11.49 C 11.77 -10.08 C 17.84 -9.37 C 17.84 -12.20 C 19.03 -10.08 C 19.03 -11.49 C 15.40 -9.37 C 14.18 -11.49 C 14.18 -10.08 C 16.64 -11.49 C 16.64 -10.08 C 20.25 -13.57 1 17 1 2 17 1 29 3 -1 29 4 -2 5 24 2 6 18 1 7 19 1 8 20 1 9 10 2 9 21 1 10 29 1 11 14 1 11 17 2 12 18 2 12 25 1 13 19 2 13 26 1 14 22 1 15 23 1 15 29 1 16 25 1 16 27 1 18 19 1 20 22 2 20 28 1 21 23 2 21 27 1 22 23 1 24 26 1 24 28 1 25 26 2 27 28 2', '29 32 C:26 23.87 -10.08 C:18 22.65 -7.94 C:28 20.59 -14.95 C:28 21.61 -13.26 O 15.40 -8.01 O 10.58 -12.20 O 10.58 -9.37 O 17.84 -8.01 C:116 17.84 -13.57 C:128 19.03 -14.27 C:123 21.46 -10.08 C:104 12.97 -12.20 C:109 12.97 -9.37 C:22 20.25 -9.37 O 20.25 -12.20 O 15.40 -12.20 C:132 22.65 -9.37 C:154 11.77 -11.49 C:144 11.77 -10.08 C:161 17.84 -9.37 C:101 17.84 -12.20 C:112 19.03 -10.08 C:158 19.03 -11.49 C:181 15.40 -9.37 C:153 14.18 -11.49 C:114 14.18 -10.08 C:151 16.64 -11.49 C:103 16.64 -10.08 C:79 20.25 -13.57 1 17 1 2 17 1 29 3 -1 29 4 -2 5 24 2 6 18 1 7 19 1 8 20 1 9 10 2 9 21 1 10 29 1 11 14 1 11 17 2 12 18 2 12 25 1 13 19 2 13 26 1 14 22 1 15 23 1 15 29 1 16 25 1 16 27 1 18 19 1 20 22 2 20 28 1 21 23 2 21 27 1 22 23 1 24 26 1 24 28 1 25 26 2 27 28 2', 'C23H22O6', 394.242, 'A', 'bmc04_1947_4', 3554, '', '', '1', 47, NULL, NULL),
(13837, 'Cudratricusxanthone E', '', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]([CH3:105])=[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[cH:5][c:6](O)[c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'CC(C)=CCc3c(O)c(CC=C(C)C)c2oc1cc(O)c(O)cc1c(=O)c2c3O', '[CH3:18][C:132]([CH3:26])=[CH:123][CH2:22][c:111]3[c:160](O)[c:107]([CH2:23][CH:123]=[C:132]([CH3:26])[CH3:18])[c:154]2o[c:153]1[cH:104][c:154](O)[c:144](O)[cH:109][c:114]1[c:181](=O)[c:103]2[c:159]3O', '29 31 C:104 22.70 -7.23 C:105 23.91 -9.35 C:205 20.29 -15.63 C:204 17.86 -15.63 O 15.42 -7.23 O 10.63 -11.49 O 10.63 -8.64 O 20.29 -11.49 O 17.86 -7.23 C:102 21.50 -9.35 C:202 19.07 -13.54 C:5 13.00 -11.44 C:8 13.00 -8.64 C:101 20.29 -8.64 C:201 17.86 -12.84 O 15.42 -11.44 C:103 22.70 -8.64 C:203 19.07 -14.94 C:6 11.81 -10.76 C:7 11.81 -9.35 C:3 19.07 -10.76 C:1 17.86 -8.64 C:2 19.07 -9.35 C:4 17.86 -11.44 C:9 15.42 -8.64 C:10001 14.21 -10.76 C:8001 14.21 -9.35 C:4001 16.66 -10.76 C:9001 16.66 -9.35 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 26 2 13 20 1 13 27 2 14 23 1 15 24 1 16 26 1 16 28 1 19 20 2 21 23 1 21 24 2 22 23 2 22 29 1 24 28 1 25 27 1 25 29 1 26 27 1 28 29 2', '29 31 C 22.70 -7.23 C 23.91 -9.35 C 20.29 -15.63 C 17.86 -15.63 O 15.42 -7.23 O 10.63 -11.49 O 10.63 -8.64 O 20.29 -11.49 O 17.86 -7.23 C 21.50 -9.35 C 19.07 -13.54 C 13.00 -11.44 C 13.00 -8.64 C 20.29 -8.64 C 17.86 -12.84 O 15.42 -11.44 C 22.70 -8.64 C 19.07 -14.94 C 11.81 -10.76 C 11.81 -9.35 C 19.07 -10.76 C 17.86 -8.64 C 19.07 -9.35 C 17.86 -11.44 C 15.42 -8.64 C 14.21 -10.76 C 14.21 -9.35 C 16.66 -10.76 C 16.66 -9.35 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 26 2 13 20 1 13 27 2 14 23 1 15 24 1 16 26 1 16 28 1 19 20 2 21 23 1 21 24 2 22 23 2 22 29 1 24 28 1 25 27 1 25 29 1 26 27 1 28 29 2', '29 31 C:18 22.70 -7.23 C:26 23.91 -9.35 C:26 20.29 -15.63 C:18 17.86 -15.63 O 15.42 -7.23 O 10.63 -11.49 O 10.63 -8.64 O 20.29 -11.49 O 17.86 -7.23 C:123 21.50 -9.35 C:123 19.07 -13.54 C:104 13.00 -11.44 C:109 13.00 -8.64 C:22 20.29 -8.64 C:23 17.86 -12.84 O 15.42 -11.44 C:132 22.70 -8.64 C:132 19.07 -14.94 C:154 11.81 -10.76 C:144 11.81 -9.35 C:160 19.07 -10.76 C:159 17.86 -8.64 C:111 19.07 -9.35 C:107 17.86 -11.44 C:181 15.42 -8.64 C:153 14.21 -10.76 C:114 14.21 -9.35 C:154 16.66 -10.76 C:103 16.66 -9.35 1 17 1 2 17 1 3 18 1 4 18 1 5 25 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 15 1 11 18 2 12 19 1 12 26 2 13 20 1 13 27 2 14 23 1 15 24 1 16 26 1 16 28 1 19 20 2 21 23 1 21 24 2 22 23 2 22 29 1 24 28 1 25 27 1 25 29 1 26 27 1 28 29 2', 'C23H24O6', 396.242, 'A', 'bmc04_1947_5', 3554, '', '', '1', 47, NULL, NULL),
(13838, 'Cudratricusxanthone F', '', 'Aromatics', 'Xanthones', '', '[CH3:205][C:203]([CH3:204])=[CH:202][CH2:201][c:4]3[c:3]1O[CH:102]([CH3:103])[C:101]([CH3:104])([CH3:105])[c:2]1[c:1](O)[c:9001]4[c:9](=O)[c:8001]2[cH:8][c:7](O)[c:6](O)[cH:5][c:10001]2o[c:4001]34', 'CC(C)=CCc3c1OC(C)C(C)(C)c1c(O)c4c(=O)c2cc(O)c(O)cc2oc34', '[CH3:26][C:132]([CH3:18])=[CH:123][CH2:23][c:103]3[c:165]1O[CH:92]([CH3:15])[C:45]([CH3:21])([CH3:26])[c:117]1[c:158](O)[c:105]4[c:182](=O)[c:114]2[cH:110][c:144](O)[c:154](O)[cH:104][c:153]2o[c:156]34', '29 32 C:205 16.14 -15.62 C:204 18.55 -15.62 C:103 23.24 -9.98 C:104 20.37 -7.61 C:105 22.26 -8.21 O 16.03 -7.19 O 11.22 -11.44 O 11.22 -8.56 O 18.55 -7.19 C:202 17.35 -13.52 C:5 13.59 -11.38 C:8 13.59 -8.56 C:201 18.55 -12.79 O 21.02 -11.13 O 16.03 -11.38 C:203 17.35 -14.92 C:6 12.41 -10.70 C:7 12.41 -9.28 C:1 18.55 -8.56 C:4 18.55 -11.38 C:3 19.69 -10.70 C:2 19.69 -9.28 C:9 16.03 -8.56 C:10001 14.81 -10.70 C:8001 14.81 -9.28 C:4001 17.27 -10.70 C:9001 17.27 -9.28 C:102 21.84 -9.98 C:101 21.02 -8.85 1 16 1 2 16 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 13 1 10 16 2 11 17 2 11 24 1 12 18 2 12 25 1 13 20 1 14 21 1 14 28 1 15 24 1 15 26 1 17 18 1 19 22 2 19 27 1 20 21 2 20 26 1 21 22 1 22 29 1 23 25 1 23 27 1 24 25 2 26 27 2 28 29 1', '29 32 C 16.14 -15.62 C 18.55 -15.62 C 23.24 -9.98 C 20.37 -7.61 C 22.26 -8.21 O 16.03 -7.19 O 11.22 -11.44 O 11.22 -8.56 O 18.55 -7.19 C 17.35 -13.52 C 13.59 -11.38 C 13.59 -8.56 C 18.55 -12.79 O 21.02 -11.13 O 16.03 -11.38 C 17.35 -14.92 C 12.41 -10.70 C 12.41 -9.28 C 18.55 -8.56 C 18.55 -11.38 C 19.69 -10.70 C 19.69 -9.28 C 16.03 -8.56 C 14.81 -10.70 C 14.81 -9.28 C 17.27 -10.70 C 17.27 -9.28 C 21.84 -9.98 C 21.02 -8.85 1 16 1 2 16 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 13 1 10 16 2 11 17 2 11 24 1 12 18 2 12 25 1 13 20 1 14 21 1 14 28 1 15 24 1 15 26 1 17 18 1 19 22 2 19 27 1 20 21 2 20 26 1 21 22 1 22 29 1 23 25 1 23 27 1 24 25 2 26 27 2 28 29 1', '29 32 C:26 16.14 -15.62 C:18 18.55 -15.62 C:15 23.24 -9.98 C:21 20.37 -7.61 C:26 22.26 -8.21 O 16.03 -7.19 O 11.22 -11.44 O 11.22 -8.56 O 18.55 -7.19 C:123 17.35 -13.52 C:104 13.59 -11.38 C:110 13.59 -8.56 C:23 18.55 -12.79 O 21.02 -11.13 O 16.03 -11.38 C:132 17.35 -14.92 C:154 12.41 -10.70 C:144 12.41 -9.28 C:158 18.55 -8.56 C:103 18.55 -11.38 C:165 19.69 -10.70 C:117 19.69 -9.28 C:182 16.03 -8.56 C:153 14.81 -10.70 C:114 14.81 -9.28 C:156 17.27 -10.70 C:105 17.27 -9.28 C:92 21.84 -9.98 C:45 21.02 -8.85 1 16 1 2 16 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 13 1 10 16 2 11 17 2 11 24 1 12 18 2 12 25 1 13 20 1 14 21 1 14 28 1 15 24 1 15 26 1 17 18 1 19 22 2 19 27 1 20 21 2 20 26 1 21 22 1 22 29 1 23 25 1 23 27 1 24 25 2 26 27 2 28 29 1', 'C23H24O6', 396.242, 'A', 'bmc04_1947_6', 3554, '', '', '1', 47, NULL, NULL),
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(13846, '', '1-Hydroxy-4-(3-methylbut-2-enyl)-3-(3-methylbut-2-enyloxy)xanthone', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]([CH3:104])=[CH:102][CH2:101]O[c:3]3[cH:2][c:1](O)[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]3[CH2:201][CH:202]=[C:203]([CH3:204])[CH3:205]', 'CC(C)=CCOc3cc(O)c2c(=O)c1ccccc1oc2c3CC=C(C)C', '[CH3:26][C:139]([CH3:18])=[CH:119][CH2:66]O[c:164]3[cH:95][c:162](O)[c:103]2[c:181](=O)[c:120]1[cH:126][cH:124][cH:135][cH:118][c:156]1o[c:154]2[c:108]3[CH2:22][CH:122]=[C:132]([CH3:18])[CH3:26]', '27 29 C:105 23.92 -11.57 C:104 22.69 -9.43 C:204 16.61 -15.60 C:205 14.18 -15.60 O 14.18 -7.23 O 16.61 -7.23 C:102 21.46 -11.43 C:202 15.40 -13.51 C:6 10.56 -10.74 C:7 10.56 -9.32 C:5 11.74 -11.43 C:8 11.74 -8.63 C:2 17.86 -9.32 C:101 20.27 -10.74 C:201 16.61 -12.82 O 19.08 -11.43 O 14.18 -11.43 C:103 22.69 -10.74 C:203 15.40 -14.91 C:1 16.61 -8.63 C:3 17.86 -10.74 C:4 16.61 -11.43 C:9 14.18 -8.63 C:10001 12.98 -10.74 C:8001 12.98 -9.32 C:4001 15.40 -10.74 C:9001 15.40 -9.32 1 18 1 2 18 1 3 19 1 4 19 1 5 23 2 6 20 1 7 14 1 7 18 2 8 15 1 8 19 2 9 10 1 9 11 2 10 12 2 11 24 1 12 25 1 13 20 2 13 21 1 14 16 1 15 22 1 16 21 1 17 24 1 17 26 1 20 27 1 21 22 2 22 26 1 23 25 1 23 27 1 24 25 2 26 27 2', '27 29 C 23.92 -11.57 C 22.69 -9.43 C 16.61 -15.60 C 14.18 -15.60 O 14.18 -7.23 O 16.61 -7.23 C 21.46 -11.43 C 15.40 -13.51 C 10.56 -10.74 C 10.56 -9.32 C 11.74 -11.43 C 11.74 -8.63 C 17.86 -9.32 C 20.27 -10.74 C 16.61 -12.82 O 19.08 -11.43 O 14.18 -11.43 C 22.69 -10.74 C 15.40 -14.91 C 16.61 -8.63 C 17.86 -10.74 C 16.61 -11.43 C 14.18 -8.63 C 12.98 -10.74 C 12.98 -9.32 C 15.40 -10.74 C 15.40 -9.32 1 18 1 2 18 1 3 19 1 4 19 1 5 23 2 6 20 1 7 14 1 7 18 2 8 15 1 8 19 2 9 10 1 9 11 2 10 12 2 11 24 1 12 25 1 13 20 2 13 21 1 14 16 1 15 22 1 16 21 1 17 24 1 17 26 1 20 27 1 21 22 2 22 26 1 23 25 1 23 27 1 24 25 2 26 27 2', '27 29 C:26 23.92 -11.57 C:18 22.69 -9.43 C:18 16.61 -15.60 C:26 14.18 -15.60 O 14.18 -7.23 O 16.61 -7.23 C:119 21.46 -11.43 C:122 15.40 -13.51 C:135 10.56 -10.74 C:124 10.56 -9.32 C:118 11.74 -11.43 C:126 11.74 -8.63 C:95 17.86 -9.32 C:66 20.27 -10.74 C:22 16.61 -12.82 O 19.08 -11.43 O 14.18 -11.43 C:139 22.69 -10.74 C:132 15.40 -14.91 C:162 16.61 -8.63 C:164 17.86 -10.74 C:108 16.61 -11.43 C:181 14.18 -8.63 C:156 12.98 -10.74 C:120 12.98 -9.32 C:154 15.40 -10.74 C:103 15.40 -9.32 1 18 1 2 18 1 3 19 1 4 19 1 5 23 2 6 20 1 7 14 1 7 18 2 8 15 1 8 19 2 9 10 1 9 11 2 10 12 2 11 24 1 12 25 1 13 20 2 13 21 1 14 16 1 15 22 1 16 21 1 17 24 1 17 26 1 20 27 1 21 22 2 22 26 1 23 25 1 23 27 1 24 25 2 26 27 2', 'C23H24O4', 364.244, 'C', 'bmc07_6080_8', 3555, '', '', '1', 47, NULL, NULL),
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(13848, '', '1-Hydroxy-6'',6''-dimethyl-4'',5''-dihydropyrano(20,30:3,4)xanthone', 'Aromatics', 'Xanthones', '', '[CH3:104][C@:103]4([CH3:105])[CH2:102][CH2:101][c:4]2[c:3]([cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][cH:5][c:10001]1o[c:4001]23)O4', 'C[C@]4(C)CCc2c(cc(O)c3c(=O)c1ccccc1oc23)O4', '[CH3:27][C@:76]4([CH3:27])[CH2:32][CH2:16][c:100]2[c:162]([cH:99][c:161](O)[c:104]3[c:181](=O)[c:121]1[cH:126][cH:124][cH:135][cH:118][c:156]1o[c:155]23)O4', '22 25 C:104 22.18 -13.18 C:105 21.16 -14.89 O 15.94 -7.92 O 18.41 -7.92 C:6 12.31 -11.40 C:7 12.31 -9.99 C:5 13.51 -12.08 C:8 13.51 -9.30 C:2 19.60 -9.99 C:101 18.41 -13.50 C:102 19.60 -14.21 O 20.82 -12.08 O 15.94 -12.08 C:1 18.41 -9.30 C:3 19.60 -11.40 C:4 18.41 -12.08 C:9 15.94 -9.30 C:10001 14.73 -11.40 C:8001 14.73 -9.99 C:4001 17.20 -11.40 C:9001 17.20 -9.99 C:103 20.82 -13.50 22 1 -2 22 2 -1 3 17 2 4 14 1 5 6 1 5 7 2 6 8 2 7 18 1 8 19 1 9 14 2 9 15 1 10 11 1 10 16 1 11 22 1 12 15 1 12 22 1 13 18 1 13 20 1 14 21 1 15 16 2 16 20 1 17 19 1 17 21 1 18 19 2 20 21 2', '22 25 C 22.18 -13.18 C 21.16 -14.89 O 15.94 -7.92 O 18.41 -7.92 C 12.31 -11.40 C 12.31 -9.99 C 13.51 -12.08 C 13.51 -9.30 C 19.60 -9.99 C 18.41 -13.50 C 19.60 -14.21 O 20.82 -12.08 O 15.94 -12.08 C 18.41 -9.30 C 19.60 -11.40 C 18.41 -12.08 C 15.94 -9.30 C 14.73 -11.40 C 14.73 -9.99 C 17.20 -11.40 C 17.20 -9.99 C 20.82 -13.50 22 1 -2 22 2 -1 3 17 2 4 14 1 5 6 1 5 7 2 6 8 2 7 18 1 8 19 1 9 14 2 9 15 1 10 11 1 10 16 1 11 22 1 12 15 1 12 22 1 13 18 1 13 20 1 14 21 1 15 16 2 16 20 1 17 19 1 17 21 1 18 19 2 20 21 2', '22 25 C:27 22.18 -13.18 C:27 21.16 -14.89 O 15.94 -7.92 O 18.41 -7.92 C:135 12.31 -11.40 C:124 12.31 -9.99 C:118 13.51 -12.08 C:126 13.51 -9.30 C:99 19.60 -9.99 C:16 18.41 -13.50 C:32 19.60 -14.21 O 20.82 -12.08 O 15.94 -12.08 C:161 18.41 -9.30 C:162 19.60 -11.40 C:100 18.41 -12.08 C:181 15.94 -9.30 C:156 14.73 -11.40 C:121 14.73 -9.99 C:155 17.20 -11.40 C:104 17.20 -9.99 C:76 20.82 -13.50 22 1 -2 22 2 -1 3 17 2 4 14 1 5 6 1 5 7 2 6 8 2 7 18 1 8 19 1 9 14 2 9 15 1 10 11 1 10 16 1 11 22 1 12 15 1 12 22 1 13 18 1 13 20 1 14 21 1 15 16 2 16 20 1 17 19 1 17 21 1 18 19 2 20 21 2', 'C18H16O4', 296.19, 'C', 'bmc07_6080_10', 3555, '', '', '1', 47, NULL, NULL),
(13849, '', '1-Hydroxy-6'',6''-dimethyl-4'',5''-dihydropyrano(2'',3'':3,2)xanthone', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]4([CH3:105])[CH2:102][CH2:101][c:2]3[c:3]([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)O4', 'CC4(C)CCc3c(cc2oc1ccccc1c(=O)c2c3O)O4', '[CH3:27][C:76]4([CH3:27])[CH2:32][CH2:16][c:104]3[c:162]([cH:95][c:156]2o[c:156]1[cH:118][cH:135][cH:124][cH:126][c:121]1[c:181](=O)[c:9999]2[c:161]3O)O4', '22 25 C:104 22.77 -12.14 C:105 21.79 -13.88 O 15.37 -9.04 O 17.81 -8.99 C:6 11.74 -12.52 C:7 11.74 -11.11 C:5 12.94 -13.21 C:8 12.94 -10.39 C:4 17.81 -13.21 C:101 20.22 -10.39 C:102 21.42 -11.11 O 20.22 -13.21 O 15.37 -13.21 C:3 19.00 -12.52 C:1 17.81 -10.39 C:2 19.00 -11.11 C:9 15.37 -10.39 C:10001 14.16 -12.52 C:4001 16.60 -12.52 C:8001 14.16 -11.11 C:9001 16.60 -11.11 C:103 21.42 -12.52 1 22 1 2 22 1 3 17 2 4 15 1 5 6 1 5 7 2 6 8 2 7 18 1 8 20 1 9 14 2 9 19 1 10 11 1 10 16 1 11 22 1 12 14 1 12 22 1 13 18 1 13 19 1 14 16 1 15 16 2 15 21 1 17 20 1 17 21 1 18 20 2 19 21 2', '22 25 C 22.77 -12.14 C 21.79 -13.88 O 15.37 -9.04 O 17.81 -8.99 C 11.74 -12.52 C 11.74 -11.11 C 12.94 -13.21 C 12.94 -10.39 C 17.81 -13.21 C 20.22 -10.39 C 21.42 -11.11 O 20.22 -13.21 O 15.37 -13.21 C 19.00 -12.52 C 17.81 -10.39 C 19.00 -11.11 C 15.37 -10.39 C 14.16 -12.52 C 16.60 -12.52 C 14.16 -11.11 C 16.60 -11.11 C 21.42 -12.52 1 22 1 2 22 1 3 17 2 4 15 1 5 6 1 5 7 2 6 8 2 7 18 1 8 20 1 9 14 2 9 19 1 10 11 1 10 16 1 11 22 1 12 14 1 12 22 1 13 18 1 13 19 1 14 16 1 15 16 2 15 21 1 17 20 1 17 21 1 18 20 2 19 21 2', '22 25 C:27 22.77 -12.14 C:27 21.79 -13.88 O 15.37 -9.04 O 17.81 -8.99 C:135 11.74 -12.52 C:124 11.74 -11.11 C:118 12.94 -13.21 C:126 12.94 -10.39 C:95 17.81 -13.21 C:16 20.22 -10.39 C:32 21.42 -11.11 O 20.22 -13.21 O 15.37 -13.21 C:162 19.00 -12.52 C:161 17.81 -10.39 C:104 19.00 -11.11 C:181 15.37 -10.39 C:156 14.16 -12.52 C:156 16.60 -12.52 C:121 14.16 -11.11 C 16.60 -11.11 C:76 21.42 -12.52 1 22 1 2 22 1 3 17 2 4 15 1 5 6 1 5 7 2 6 8 2 7 18 1 8 20 1 9 14 2 9 19 1 10 11 1 10 16 1 11 22 1 12 14 1 12 22 1 13 18 1 13 19 1 14 16 1 15 16 2 15 21 1 17 20 1 17 21 1 18 20 2 19 21 2', 'C18H16O4', 296.19, 'C', 'bmc07_6080_11', 3555, '', '', '1', 47, NULL, NULL),
(13850, '', '1,3,7-trihydroxy-4-(1,1-dimethyl-2-propenyl)-5,6-(2,2-dimethylchromeno)-xanthone', 'Aromatics', 'Xanthones', '', '[CH2:105]=[CH:104][C:101]([CH3:102])([CH3:103])[c:4]3[c:3](O)[cH:2][c:1](O)[c:9001]4[c:9](=O)[c:8001]2[cH:8][c:7](O)[c:6]1O[C:203]([CH3:205])([CH3:204])[CH:202]=[CH:201][c:5]1[c:10001]2o[c:4001]34', 'C=CC(C)(C)c3c(O)cc(O)c4c(=O)c2cc(O)c1OC(C)(C)C=Cc1c2oc34', '[CH2:114]=[CH:150][C:41]([CH3:28])([CH3:28])[c:109]3[c:162](O)[cH:101][c:162](O)[c:105]4[c:183](=O)[c:109]2[cH:102][c:153](O)[c:151]1O[C:78]([CH3:28])([CH3:28])[CH:133]=[CH:121][c:120]1[c:137]2o[c:156]34', '29 32 C:105 19.12 -15.28 C:205 11.70 -12.82 C:204 12.69 -14.52 C:102 21.55 -13.88 C:103 19.12 -13.88 O 17.90 -7.58 O 22.75 -11.78 O 13.05 -8.97 O 20.33 -7.58 C:104 20.33 -14.57 C:201 15.47 -13.18 C:202 14.25 -13.88 C:2 21.55 -9.68 C:8 15.47 -8.97 O 13.05 -11.78 O 17.90 -11.78 C:3 21.55 -11.09 C:7 14.25 -9.68 C:1 20.33 -8.97 C:5 15.47 -11.78 C:6 14.25 -11.09 C:4 20.33 -11.78 C:9 17.90 -8.97 C:8001 16.69 -9.68 C:10001 16.69 -11.09 C:4001 19.12 -11.09 C:9001 19.12 -9.68 C:203 13.05 -13.18 C:101 20.33 -13.18 1 10 2 2 28 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 29 1 11 12 2 11 20 1 12 28 1 13 17 1 13 19 2 14 18 2 14 24 1 15 21 1 15 28 1 16 25 1 16 26 1 17 22 2 18 21 1 19 27 1 20 21 2 20 25 1 22 26 1 22 29 1 23 24 1 23 27 1 24 25 2 26 27 2', '29 32 C 19.12 -15.28 C 11.70 -12.82 C 12.69 -14.52 C 21.55 -13.88 C 19.12 -13.88 O 17.90 -7.58 O 22.75 -11.78 O 13.05 -8.97 O 20.33 -7.58 C 20.33 -14.57 C 15.47 -13.18 C 14.25 -13.88 C 21.55 -9.68 C 15.47 -8.97 O 13.05 -11.78 O 17.90 -11.78 C 21.55 -11.09 C 14.25 -9.68 C 20.33 -8.97 C 15.47 -11.78 C 14.25 -11.09 C 20.33 -11.78 C 17.90 -8.97 C 16.69 -9.68 C 16.69 -11.09 C 19.12 -11.09 C 19.12 -9.68 C 13.05 -13.18 C 20.33 -13.18 1 10 2 2 28 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 29 1 11 12 2 11 20 1 12 28 1 13 17 1 13 19 2 14 18 2 14 24 1 15 21 1 15 28 1 16 25 1 16 26 1 17 22 2 18 21 1 19 27 1 20 21 2 20 25 1 22 26 1 22 29 1 23 24 1 23 27 1 24 25 2 26 27 2', '29 32 C:114 19.12 -15.28 C:28 11.70 -12.82 C:28 12.69 -14.52 C:28 21.55 -13.88 C:28 19.12 -13.88 O 17.90 -7.58 O 22.75 -11.78 O 13.05 -8.97 O 20.33 -7.58 C:150 20.33 -14.57 C:121 15.47 -13.18 C:133 14.25 -13.88 C:101 21.55 -9.68 C:102 15.47 -8.97 O 13.05 -11.78 O 17.90 -11.78 C:162 21.55 -11.09 C:153 14.25 -9.68 C:162 20.33 -8.97 C:120 15.47 -11.78 C:151 14.25 -11.09 C:109 20.33 -11.78 C:183 17.90 -8.97 C:109 16.69 -9.68 C:137 16.69 -11.09 C:156 19.12 -11.09 C:105 19.12 -9.68 C:78 13.05 -13.18 C:41 20.33 -13.18 1 10 2 2 28 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 29 1 11 12 2 11 20 1 12 28 1 13 17 1 13 19 2 14 18 2 14 24 1 15 21 1 15 28 1 16 25 1 16 26 1 17 22 2 18 21 1 19 27 1 20 21 2 20 25 1 22 26 1 22 29 1 23 24 1 23 27 1 24 25 2 26 27 2', 'C23H22O6', 394.242, 'C', 'bmcl05_5548_1', 3556, '', '', '1', 47, NULL, NULL),
(13851, 'Cudratricusxanthone I', '', 'Aromatics', 'Xanthones', '', '[CH3:103][CH:102]4O[c:3]3[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O)[c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1](O)[c:2]3[C:101]4([CH3:105])[CH3:104]', 'CC4Oc3cc2oc1cc(O)c(O)cc1c(=O)c2c(O)c3C4(C)C', '[CH3:15][CH:92]4O[c:166]3[cH:90][c:159]2o[c:153]1[cH:104][c:154](O)[c:144](O)[cH:110][c:114]1[c:181](=O)[c:105]2[c:159](O)[c:118]3[C:44]4([CH3:26])[CH3:21]', '24 27 C:103 23.23 -12.11 C:105 22.26 -10.33 C:104 20.37 -9.73 O 16.03 -9.30 O 11.22 -13.56 O 11.22 -10.70 O 18.50 -9.30 C:5 13.59 -13.50 C:8 13.59 -10.70 C:4 18.50 -13.50 O 21.01 -13.25 O 16.03 -13.50 C:6 12.41 -12.82 C:7 12.41 -11.41 C:3 19.69 -12.82 C:1 18.50 -10.70 C:2 19.69 -11.41 C:9 16.03 -10.70 C:10001 14.81 -12.82 C:4001 17.27 -12.82 C:8001 14.81 -11.41 C:9001 17.27 -11.41 C:102 21.83 -12.11 C:101 21.01 -10.98 1 23 1 2 24 1 3 24 1 4 18 2 5 13 1 6 14 1 7 16 1 8 13 2 8 19 1 9 14 2 9 21 1 10 15 2 10 20 1 11 15 1 11 23 1 12 19 1 12 20 1 13 14 1 15 17 1 16 17 2 16 22 1 17 24 1 18 21 1 18 22 1 19 21 2 20 22 2 23 24 1', '24 27 C 23.23 -12.11 C 22.26 -10.33 C 20.37 -9.73 O 16.03 -9.30 O 11.22 -13.56 O 11.22 -10.70 O 18.50 -9.30 C 13.59 -13.50 C 13.59 -10.70 C 18.50 -13.50 O 21.01 -13.25 O 16.03 -13.50 C 12.41 -12.82 C 12.41 -11.41 C 19.69 -12.82 C 18.50 -10.70 C 19.69 -11.41 C 16.03 -10.70 C 14.81 -12.82 C 17.27 -12.82 C 14.81 -11.41 C 17.27 -11.41 C 21.83 -12.11 C 21.01 -10.98 1 23 1 2 24 1 3 24 1 4 18 2 5 13 1 6 14 1 7 16 1 8 13 2 8 19 1 9 14 2 9 21 1 10 15 2 10 20 1 11 15 1 11 23 1 12 19 1 12 20 1 13 14 1 15 17 1 16 17 2 16 22 1 17 24 1 18 21 1 18 22 1 19 21 2 20 22 2 23 24 1', '24 27 C:15 23.23 -12.11 C:26 22.26 -10.33 C:21 20.37 -9.73 O 16.03 -9.30 O 11.22 -13.56 O 11.22 -10.70 O 18.50 -9.30 C:104 13.59 -13.50 C:110 13.59 -10.70 C:90 18.50 -13.50 O 21.01 -13.25 O 16.03 -13.50 C:154 12.41 -12.82 C:144 12.41 -11.41 C:166 19.69 -12.82 C:159 18.50 -10.70 C:118 19.69 -11.41 C:181 16.03 -10.70 C:153 14.81 -12.82 C:159 17.27 -12.82 C:114 14.81 -11.41 C:105 17.27 -11.41 C:92 21.83 -12.11 C:44 21.01 -10.98 1 23 1 2 24 1 3 24 1 4 18 2 5 13 1 6 14 1 7 16 1 8 13 2 8 19 1 9 14 2 9 21 1 10 15 2 10 20 1 11 15 1 11 23 1 12 19 1 12 20 1 13 14 1 15 17 1 16 17 2 16 22 1 17 24 1 18 21 1 18 22 1 19 21 2 20 22 2 23 24 1', 'C18H16O6', 328.189, 'A', 'cb05_131_1', 3557, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13852, 'Cudraflavanone C', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:104001]O[c:104]3[cH:103][c:102](O)[c:101]([C@@H:2]2[CH2:3][C:4](=O)[c:10]1[c:5](O)[c:6]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:7](O)[cH:8][c:9]1O2)[cH:106][c:105]3[CH2:105001][CH:105002]=[C:105003]([CH3:105004])[CH3:105005]', 'COc3cc(O)c([C@@H]2CC(=O)c1c(O)c(CC=C(C)C)c(O)cc1O2)cc3CC=C(C)C', '[CH3:56]O[c:159]3[cH:100][c:155](O)[c:118]([C@@H:76]2[CH2:43][C:198](=O)[c:104]1[c:163](O)[c:109]([CH2:22][CH:124]=[C:132]([CH3:26])[CH3:18])[c:165](O)[cH:96][c:163]1O2)[cH:129][c:122]3[CH2:29][CH:124]=[C:133]([CH3:26])[CH3:18]', '32 34 C:104001 24.56 -10.07 C:105004 23.35 -5.18 C:105005 20.90 -5.18 C:205 11.20 -17.72 C:204 9.98 -15.60 O 17.30 -15.66 O 12.42 -11.48 O 20.90 -13.57 O 14.89 -15.66 C:105002 22.13 -7.28 C:202 12.42 -15.60 C:8 14.89 -11.48 C:103 22.13 -11.48 C:106 19.70 -10.07 C:105001 20.90 -7.97 C:201 12.42 -14.25 C:3 18.49 -13.57 O 23.35 -9.36 O 17.30 -11.48 C:105003 22.13 -5.88 C:203 11.20 -16.32 C:4 17.30 -14.25 C:7 13.65 -12.18 C:102 20.90 -12.18 C:5 14.89 -14.25 C:105 20.90 -9.36 C:104 22.13 -10.07 C:9 16.09 -12.18 C:6 13.65 -13.57 C:101 19.70 -11.48 C:10 16.09 -13.57 C:2 18.49 -12.18 1 18 1 2 20 1 3 20 1 4 21 1 5 21 1 6 22 2 7 23 1 8 24 1 9 25 1 10 15 1 10 20 2 11 16 1 11 21 2 12 23 2 12 28 1 13 24 1 13 27 2 14 26 2 14 30 1 15 26 1 16 29 1 17 22 1 17 32 1 18 27 1 19 28 1 19 32 1 22 31 1 23 29 1 24 30 2 25 29 2 25 31 1 26 27 1 28 31 2 32 30 -2', '32 34 C 24.56 -10.07 C 23.35 -5.18 C 20.90 -5.18 C 11.20 -17.72 C 9.98 -15.60 O 17.30 -15.66 O 12.42 -11.48 O 20.90 -13.57 O 14.89 -15.66 C 22.13 -7.28 C 12.42 -15.60 C 14.89 -11.48 C 22.13 -11.48 C 19.70 -10.07 C 20.90 -7.97 C 12.42 -14.25 C 18.49 -13.57 O 23.35 -9.36 O 17.30 -11.48 C 22.13 -5.88 C 11.20 -16.32 C 17.30 -14.25 C 13.65 -12.18 C 20.90 -12.18 C 14.89 -14.25 C 20.90 -9.36 C 22.13 -10.07 C 16.09 -12.18 C 13.65 -13.57 C 19.70 -11.48 C 16.09 -13.57 C 18.49 -12.18 1 18 1 2 20 1 3 20 1 4 21 1 5 21 1 6 22 2 7 23 1 8 24 1 9 25 1 10 15 1 10 20 2 11 16 1 11 21 2 12 23 2 12 28 1 13 24 1 13 27 2 14 26 2 14 30 1 15 26 1 16 29 1 17 22 1 17 32 1 18 27 1 19 28 1 19 32 1 22 31 1 23 29 1 24 30 2 25 29 2 25 31 1 26 27 1 28 31 2 32 30 -2', '32 34 C:56 24.56 -10.07 C:26 23.35 -5.18 C:18 20.90 -5.18 C:26 11.20 -17.72 C:18 9.98 -15.60 O 17.30 -15.66 O 12.42 -11.48 O 20.90 -13.57 O 14.89 -15.66 C:124 22.13 -7.28 C:124 12.42 -15.60 C:96 14.89 -11.48 C:100 22.13 -11.48 C:129 19.70 -10.07 C:29 20.90 -7.97 C:22 12.42 -14.25 C:43 18.49 -13.57 O 23.35 -9.36 O 17.30 -11.48 C:133 22.13 -5.88 C:132 11.20 -16.32 C:198 17.30 -14.25 C:165 13.65 -12.18 C:155 20.90 -12.18 C:163 14.89 -14.25 C:122 20.90 -9.36 C:159 22.13 -10.07 C:163 16.09 -12.18 C:109 13.65 -13.57 C:118 19.70 -11.48 C:104 16.09 -13.57 C:76 18.49 -12.18 1 18 1 2 20 1 3 20 1 4 21 1 5 21 1 6 22 2 7 23 1 8 24 1 9 25 1 10 15 1 10 20 2 11 16 1 11 21 2 12 23 2 12 28 1 13 24 1 13 27 2 14 26 2 14 30 1 15 26 1 16 29 1 17 22 1 17 32 1 18 27 1 19 28 1 19 32 1 22 31 1 23 29 1 24 30 2 25 29 2 25 31 1 26 27 1 28 31 2 32 30 -2', 'C26H30O6', 438.275, 'A', 'cb05_131_2', 3557, '', '', '1', 47, NULL, NULL),
(13853, 'Cudraflavanone D', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:105005][C:105003]([CH3:105004])=[CH:105002][CH2:105001][c:105]3[cH:106][c:101]([C@@H:2]2[CH2:3][C:4](=O)[c:10]1[c:5](O)[c:6]([CH2:201][CH:202]=[C:203]([CH3:204])[CH3:205])[c:7](O)[cH:8][c:9]1O2)[c:102](O)[cH:103][c:104]3O', 'CC(C)=CCc3cc([C@@H]2CC(=O)c1c(O)c(CC=C(C)C)c(O)cc1O2)c(O)cc3O', '[CH3:18][C:132]([CH3:26])=[CH:125][CH2:29][c:121]3[cH:129][c:118]([C@@H:76]2[CH2:43][C:198](=O)[c:104]1[c:163](O)[c:109]([CH2:22][CH:124]=[C:132]([CH3:18])[CH3:26])[c:165](O)[cH:96][c:163]1O2)[c:155](O)[cH:104][c:157]3O', '31 33 C:105005 21.46 -5.18 C:105004 23.91 -5.18 C:204 10.54 -15.60 C:205 11.76 -17.72 O 17.86 -15.66 O 23.91 -9.36 O 12.98 -11.48 O 21.46 -13.57 O 15.45 -15.66 C:105002 22.69 -7.28 C:202 12.98 -15.60 C:103 22.69 -11.48 C:8 15.45 -11.48 C:106 20.26 -10.07 C:105001 21.46 -7.97 C:201 12.98 -14.25 C:3 19.05 -13.57 O 17.86 -11.48 C:105003 22.69 -5.88 C:203 11.76 -16.32 C:4 17.86 -14.25 C:104 22.69 -10.07 C:7 14.21 -12.18 C:102 21.46 -12.18 C:5 15.45 -14.25 C:105 21.46 -9.36 C:9 16.65 -12.18 C:6 14.21 -13.57 C:101 20.26 -11.48 C:10 16.65 -13.57 C:2 19.05 -12.18 1 19 1 2 19 1 3 20 1 4 20 1 5 21 2 6 22 1 7 23 1 8 24 1 9 25 1 10 15 1 10 19 2 11 16 1 11 20 2 12 22 2 12 24 1 13 23 2 13 27 1 14 26 2 14 29 1 15 26 1 16 28 1 17 21 1 17 31 1 18 27 1 18 31 1 21 30 1 22 26 1 23 28 1 24 29 2 25 28 2 25 30 1 27 30 2 31 29 -2', '31 33 C 21.46 -5.18 C 23.91 -5.18 C 10.54 -15.60 C 11.76 -17.72 O 17.86 -15.66 O 23.91 -9.36 O 12.98 -11.48 O 21.46 -13.57 O 15.45 -15.66 C 22.69 -7.28 C 12.98 -15.60 C 22.69 -11.48 C 15.45 -11.48 C 20.26 -10.07 C 21.46 -7.97 C 12.98 -14.25 C 19.05 -13.57 O 17.86 -11.48 C 22.69 -5.88 C 11.76 -16.32 C 17.86 -14.25 C 22.69 -10.07 C 14.21 -12.18 C 21.46 -12.18 C 15.45 -14.25 C 21.46 -9.36 C 16.65 -12.18 C 14.21 -13.57 C 20.26 -11.48 C 16.65 -13.57 C 19.05 -12.18 1 19 1 2 19 1 3 20 1 4 20 1 5 21 2 6 22 1 7 23 1 8 24 1 9 25 1 10 15 1 10 19 2 11 16 1 11 20 2 12 22 2 12 24 1 13 23 2 13 27 1 14 26 2 14 29 1 15 26 1 16 28 1 17 21 1 17 31 1 18 27 1 18 31 1 21 30 1 22 26 1 23 28 1 24 29 2 25 28 2 25 30 1 27 30 2 31 29 -2', '31 33 C:18 21.46 -5.18 C:26 23.91 -5.18 C:18 10.54 -15.60 C:26 11.76 -17.72 O 17.86 -15.66 O 23.91 -9.36 O 12.98 -11.48 O 21.46 -13.57 O 15.45 -15.66 C:125 22.69 -7.28 C:124 12.98 -15.60 C:104 22.69 -11.48 C:96 15.45 -11.48 C:129 20.26 -10.07 C:29 21.46 -7.97 C:22 12.98 -14.25 C:43 19.05 -13.57 O 17.86 -11.48 C:132 22.69 -5.88 C:132 11.76 -16.32 C:198 17.86 -14.25 C:157 22.69 -10.07 C:165 14.21 -12.18 C:155 21.46 -12.18 C:163 15.45 -14.25 C:121 21.46 -9.36 C:163 16.65 -12.18 C:109 14.21 -13.57 C:118 20.26 -11.48 C:104 16.65 -13.57 C:76 19.05 -12.18 1 19 1 2 19 1 3 20 1 4 20 1 5 21 2 6 22 1 7 23 1 8 24 1 9 25 1 10 15 1 10 19 2 11 16 1 11 20 2 12 22 2 12 24 1 13 23 2 13 27 1 14 26 2 14 29 1 15 26 1 16 28 1 17 21 1 17 31 1 18 27 1 18 31 1 21 30 1 22 26 1 23 28 1 24 29 2 25 28 2 25 30 1 27 30 2 31 29 -2', 'C25H28O6', 424.264, 'A', 'cb05_131_3', 3557, '', '', '1', 47, NULL, NULL),
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(13867, '', '3,6-Dichloro-1-{[2-(diethylamino)ethyl]amino}-9H-xanthen-9-one', 'Aromatics', 'Xanthones', '', '[CH3:1004][CH2:1003]N([CH2:1005][CH3:1006])[CH2:1002][CH2:1001]N[c:1]2[cH:2][c:3](Cl)[cH:4][c:4001]3o[c:10001]1[cH:5][c:6](Cl)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]23', 'CCN(CC)CCNc2cc(Cl)cc3oc1cc(Cl)ccc1c(=O)c23', '[CH3:12][CH2:47]N([CH2:47][CH3:12])[CH2:51][CH2:41]N[c:152]2[cH:104][c:142](Cl)[cH:103][c:158]3o[c:155]1[cH:117][c:140](Cl)[cH:125][cH:128][c:121]1[c:178](=O)[c:105]23', '25 27 C:1004 23.87 -10.04 C:1006 22.68 -7.92 O 15.39 -10.72 Cl 10.59 -14.94 Cl 20.26 -14.94 C:7 11.79 -12.81 C:8 12.97 -12.12 C:2 19.05 -12.81 C:5 12.97 -14.94 C:4 17.83 -14.94 C:1003 22.68 -10.72 C:1005 21.48 -8.62 C:1001 19.05 -10.04 C:1002 20.26 -10.72 N 17.83 -10.72 O 15.39 -14.94 C:6 11.79 -14.22 C:3 19.05 -14.22 C:1 17.83 -12.12 C:9 15.39 -12.12 C:10001 14.19 -14.22 C:4001 16.61 -14.22 C:8001 14.19 -12.81 C:9001 16.61 -12.81 N 21.48 -10.04 1 11 1 2 12 1 3 20 2 4 17 1 5 18 1 6 7 2 6 17 1 7 23 1 8 18 1 8 19 2 9 17 2 9 21 1 10 18 2 10 22 1 11 25 1 12 25 1 13 14 1 13 15 1 14 25 1 15 19 1 16 21 1 16 22 1 19 24 1 20 23 1 20 24 1 21 23 2 22 24 2', '25 27 C 23.87 -10.04 C 22.68 -7.92 O 15.39 -10.72 Cl 10.59 -14.94 Cl 20.26 -14.94 C 11.79 -12.81 C 12.97 -12.12 C 19.05 -12.81 C 12.97 -14.94 C 17.83 -14.94 C 22.68 -10.72 C 21.48 -8.62 C 19.05 -10.04 C 20.26 -10.72 N 17.83 -10.72 O 15.39 -14.94 C 11.79 -14.22 C 19.05 -14.22 C 17.83 -12.12 C 15.39 -12.12 C 14.19 -14.22 C 16.61 -14.22 C 14.19 -12.81 C 16.61 -12.81 N 21.48 -10.04 1 11 1 2 12 1 3 20 2 4 17 1 5 18 1 6 7 2 6 17 1 7 23 1 8 18 1 8 19 2 9 17 2 9 21 1 10 18 2 10 22 1 11 25 1 12 25 1 13 14 1 13 15 1 14 25 1 15 19 1 16 21 1 16 22 1 19 24 1 20 23 1 20 24 1 21 23 2 22 24 2', '25 27 C:12 23.87 -10.04 C:12 22.68 -7.92 O 15.39 -10.72 Cl 10.59 -14.94 Cl 20.26 -14.94 C:125 11.79 -12.81 C:128 12.97 -12.12 C:104 19.05 -12.81 C:117 12.97 -14.94 C:103 17.83 -14.94 C:47 22.68 -10.72 C:47 21.48 -8.62 C:41 19.05 -10.04 C:51 20.26 -10.72 N 17.83 -10.72 O 15.39 -14.94 C:140 11.79 -14.22 C:142 19.05 -14.22 C:152 17.83 -12.12 C:178 15.39 -12.12 C:155 14.19 -14.22 C:158 16.61 -14.22 C:121 14.19 -12.81 C:105 16.61 -12.81 N 21.48 -10.04 1 11 1 2 12 1 3 20 2 4 17 1 5 18 1 6 7 2 6 17 1 7 23 1 8 18 1 8 19 2 9 17 2 9 21 1 10 18 2 10 22 1 11 25 1 12 25 1 13 14 1 13 15 1 14 25 1 15 19 1 16 21 1 16 22 1 19 24 1 20 23 1 20 24 1 21 23 2 22 24 2', 'C19H20Cl2N2O2', 379.121, 'C', 'cb07_1508_1i', 3561, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(13868, '', '5,6-Dichloro-1-{[2-(diethylamino)ethyl]amino}-9H-xanthen-9-one', 'Aromatics', 'Xanthones', '', '[CH3:1006][CH2:1005]N([CH2:1003][CH3:1004])[CH2:1002][CH2:1001]N[c:1]2[cH:2][cH:3][cH:4][c:4001]3o[c:10001]1[c:5](Cl)[c:6](Cl)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]23', 'CCN(CC)CCNc2cccc3oc1c(Cl)c(Cl)ccc1c(=O)c23', '[CH3:12][CH2:47]N([CH2:47][CH3:12])[CH2:51][CH2:41]N[c:152]2[cH:105][cH:137][cH:102][c:158]3o[c:152]1[c:125](Cl)[c:139](Cl)[cH:122][cH:125][c:121]1[c:178](=O)[c:106]23', '25 27 C:1006 22.69 -7.19 C:1004 23.88 -9.32 O 15.40 -10.00 Cl 10.59 -14.22 Cl 12.99 -15.62 C:3 19.06 -13.50 C:2 19.06 -12.09 C:7 11.79 -12.09 C:4 17.84 -14.22 C:8 12.99 -11.40 C:1005 21.49 -7.90 C:1003 22.69 -10.00 C:1001 19.06 -9.32 C:1002 20.27 -10.00 N 17.84 -10.00 O 15.40 -14.22 C:6 11.79 -13.50 C:1 17.84 -11.40 C:5 12.99 -14.22 C:9 15.40 -11.40 C:4001 16.62 -13.50 C:8001 14.20 -12.09 C:10001 14.20 -13.50 C:9001 16.62 -12.09 N 21.49 -9.32 1 11 1 2 12 1 3 20 2 4 17 1 5 19 1 6 7 1 6 9 2 7 18 2 8 10 2 8 17 1 9 21 1 10 22 1 11 25 1 12 25 1 13 14 1 13 15 1 14 25 1 15 18 1 16 21 1 16 23 1 17 19 2 18 24 1 19 23 1 20 22 1 20 24 1 21 24 2 22 23 2', '25 27 C 22.69 -7.19 C 23.88 -9.32 O 15.40 -10.00 Cl 10.59 -14.22 Cl 12.99 -15.62 C 19.06 -13.50 C 19.06 -12.09 C 11.79 -12.09 C 17.84 -14.22 C 12.99 -11.40 C 21.49 -7.90 C 22.69 -10.00 C 19.06 -9.32 C 20.27 -10.00 N 17.84 -10.00 O 15.40 -14.22 C 11.79 -13.50 C 17.84 -11.40 C 12.99 -14.22 C 15.40 -11.40 C 16.62 -13.50 C 14.20 -12.09 C 14.20 -13.50 C 16.62 -12.09 N 21.49 -9.32 1 11 1 2 12 1 3 20 2 4 17 1 5 19 1 6 7 1 6 9 2 7 18 2 8 10 2 8 17 1 9 21 1 10 22 1 11 25 1 12 25 1 13 14 1 13 15 1 14 25 1 15 18 1 16 21 1 16 23 1 17 19 2 18 24 1 19 23 1 20 22 1 20 24 1 21 24 2 22 23 2', '25 27 C:12 22.69 -7.19 C:12 23.88 -9.32 O 15.40 -10.00 Cl 10.59 -14.22 Cl 12.99 -15.62 C:137 19.06 -13.50 C:105 19.06 -12.09 C:122 11.79 -12.09 C:102 17.84 -14.22 C:125 12.99 -11.40 C:47 21.49 -7.90 C:47 22.69 -10.00 C:41 19.06 -9.32 C:51 20.27 -10.00 N 17.84 -10.00 O 15.40 -14.22 C:139 11.79 -13.50 C:152 17.84 -11.40 C:125 12.99 -14.22 C:178 15.40 -11.40 C:158 16.62 -13.50 C:121 14.20 -12.09 C:152 14.20 -13.50 C:106 16.62 -12.09 N 21.49 -9.32 1 11 1 2 12 1 3 20 2 4 17 1 5 19 1 6 7 1 6 9 2 7 18 2 8 10 2 8 17 1 9 21 1 10 22 1 11 25 1 12 25 1 13 14 1 13 15 1 14 25 1 15 18 1 16 21 1 16 23 1 17 19 2 18 24 1 19 23 1 20 22 1 20 24 1 21 24 2 22 23 2', 'C19H20Cl2N2O2', 379.121, 'C', 'cb07_1508_1j', 3561, '', '', '1', 47, NULL, NULL),
(13869, '', '6-Chloro-1-{[2-(diethylamino)ethyl]amino}-9H-xanthen-9-one', 'Aromatics', 'Xanthones', '', '[CH3:1004][CH2:1003]N([CH2:1005][CH3:1006])[CH2:1002][CH2:1001]N[c:1]2[cH:2][cH:3][cH:4][c:4001]3o[c:10001]1[cH:5][c:6](Cl)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]23', 'CCN(CC)CCNc2cccc3oc1cc(Cl)ccc1c(=O)c23', '[CH3:12][CH2:47]N([CH2:47][CH3:12])[CH2:51][CH2:41]N[c:152]2[cH:104][cH:136][cH:102][c:156]3o[c:158]1[cH:117][c:140](Cl)[cH:124][cH:128][c:121]1[c:179](=O)[c:107]23', '24 26 C:1004 23.87 -10.05 C:1006 22.69 -7.92 O 15.40 -10.73 Cl 10.59 -14.94 C:3 19.06 -14.23 C:2 19.06 -12.82 C:7 11.79 -12.82 C:4 17.84 -14.94 C:8 12.99 -12.13 C:5 12.99 -14.94 C:1003 22.69 -10.73 C:1005 21.49 -8.63 C:1001 19.06 -10.05 C:1002 20.27 -10.73 N 17.84 -10.73 O 15.40 -14.94 C:6 11.79 -14.23 C:1 17.84 -12.13 C:9 15.40 -12.13 C:4001 16.62 -14.23 C:10001 14.20 -14.23 C:8001 14.20 -12.82 C:9001 16.62 -12.82 N 21.49 -10.05 1 11 1 2 12 1 3 19 2 4 17 1 5 6 1 5 8 2 6 18 2 7 9 2 7 17 1 8 20 1 9 22 1 10 17 2 10 21 1 11 24 1 12 24 1 13 14 1 13 15 1 14 24 1 15 18 1 16 20 1 16 21 1 18 23 1 19 22 1 19 23 1 20 23 2 21 22 2', '24 26 C 23.87 -10.05 C 22.69 -7.92 O 15.40 -10.73 Cl 10.59 -14.94 C 19.06 -14.23 C 19.06 -12.82 C 11.79 -12.82 C 17.84 -14.94 C 12.99 -12.13 C 12.99 -14.94 C 22.69 -10.73 C 21.49 -8.63 C 19.06 -10.05 C 20.27 -10.73 N 17.84 -10.73 O 15.40 -14.94 C 11.79 -14.23 C 17.84 -12.13 C 15.40 -12.13 C 16.62 -14.23 C 14.20 -14.23 C 14.20 -12.82 C 16.62 -12.82 N 21.49 -10.05 1 11 1 2 12 1 3 19 2 4 17 1 5 6 1 5 8 2 6 18 2 7 9 2 7 17 1 8 20 1 9 22 1 10 17 2 10 21 1 11 24 1 12 24 1 13 14 1 13 15 1 14 24 1 15 18 1 16 20 1 16 21 1 18 23 1 19 22 1 19 23 1 20 23 2 21 22 2', '24 26 C:12 23.87 -10.05 C:12 22.69 -7.92 O 15.40 -10.73 Cl 10.59 -14.94 C:136 19.06 -14.23 C:104 19.06 -12.82 C:124 11.79 -12.82 C:102 17.84 -14.94 C:128 12.99 -12.13 C:117 12.99 -14.94 C:47 22.69 -10.73 C:47 21.49 -8.63 C:41 19.06 -10.05 C:51 20.27 -10.73 N 17.84 -10.73 O 15.40 -14.94 C:140 11.79 -14.23 C:152 17.84 -12.13 C:179 15.40 -12.13 C:156 16.62 -14.23 C:158 14.20 -14.23 C:121 14.20 -12.82 C:107 16.62 -12.82 N 21.49 -10.05 1 11 1 2 12 1 3 19 2 4 17 1 5 6 1 5 8 2 6 18 2 7 9 2 7 17 1 8 20 1 9 22 1 10 17 2 10 21 1 11 24 1 12 24 1 13 14 1 13 15 1 14 24 1 15 18 1 16 20 1 16 21 1 18 23 1 19 22 1 19 23 1 20 23 2 21 22 2', 'C19H21ClN2O2', 344.668, 'C', 'cb07_1508_1k', 3561, '', '', '1', 47, NULL, NULL),
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(13882, 'Galtamycinone', '', 'Aromatics', 'Tetracyclines', '', '[CH3:3001][c:3]5[cH:2][c:1](O)[c:12001]4[cH:12][c:11001]3[c:11](=O)[c:10001]2[c:10](O)[c:9]([C@H:101]1[CH2:102][C@@H:103](O)[C@H:104](O)[C@@H:105]([CH3:106])O1)[cH:8][cH:7][c:6001]2[c:6](=O)[c:5001]3[c:5](O)[c:4001]4[cH:4]5', 'Cc5cc(O)c4cc3c(=O)c2c(O)c([C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)ccc2c(=O)c3c(O)c4c5', '[CH3:22][c:142]5[cH:117][c:158](O)[c:126]4[cH:118][c:126]3[c:188](=O)[c:117]2[c:160](O)[c:139]([C@H:72]1[CH2:41][C@@H:74](O)[C@H:79](O)[C@@H:78]([CH3:19])O1)[cH:133][cH:119][c:133]2[c:187](=O)[c:110]3[c:164](O)[c:130]4[cH:116]5', '33 37 C:3001 25.10 -13.89 C:106 11.76 -7.60 O 17.81 -15.28 O 17.81 -9.68 O 22.68 -9.68 O 15.37 -9.68 O 20.24 -15.28 O 9.36 -11.78 O 9.36 -8.95 C:8 14.15 -13.20 C:7 15.37 -13.89 C:2 23.91 -11.78 C:4 22.68 -13.89 C:12 20.24 -11.11 C:102 11.76 -11.78 O 12.96 -9.68 C:3 23.91 -13.20 C:1 22.68 -11.11 C:10 15.37 -11.11 C:5 20.24 -13.89 C:9 14.15 -11.78 C:6 17.81 -13.89 C:11 17.81 -11.08 C:4001 21.46 -13.20 C:12001 21.46 -11.78 C:6001 16.58 -13.20 C:11001 18.98 -11.78 C:10001 16.58 -11.78 C:5001 18.98 -13.20 C:105 11.76 -9.00 C:103 10.57 -11.08 C:101 12.96 -11.11 C:104 10.57 -9.68 1 17 1 30 2 -1 3 22 2 4 23 2 5 18 1 6 19 1 7 20 1 31 8 -1 33 9 -2 10 11 2 10 21 1 11 26 1 12 17 1 12 18 2 13 17 2 13 24 1 14 25 2 14 27 1 15 31 1 15 32 1 16 30 1 16 32 1 18 25 1 19 21 2 19 28 1 20 24 2 20 29 1 32 21 -1 22 26 1 22 29 1 23 27 1 23 28 1 24 25 1 26 28 2 27 29 2 30 33 1 31 33 1', '33 37 C 25.10 -13.89 C 11.76 -7.60 O 17.81 -15.28 O 17.81 -9.68 O 22.68 -9.68 O 15.37 -9.68 O 20.24 -15.28 O 9.36 -11.78 O 9.36 -8.95 C 14.15 -13.20 C 15.37 -13.89 C 23.91 -11.78 C 22.68 -13.89 C 20.24 -11.11 C 11.76 -11.78 O 12.96 -9.68 C 23.91 -13.20 C 22.68 -11.11 C 15.37 -11.11 C 20.24 -13.89 C 14.15 -11.78 C 17.81 -13.89 C 17.81 -11.08 C 21.46 -13.20 C 21.46 -11.78 C 16.58 -13.20 C 18.98 -11.78 C 16.58 -11.78 C 18.98 -13.20 C 11.76 -9.00 C 10.57 -11.08 C 12.96 -11.11 C 10.57 -9.68 1 17 1 30 2 -1 3 22 2 4 23 2 5 18 1 6 19 1 7 20 1 31 8 -1 33 9 -2 10 11 2 10 21 1 11 26 1 12 17 1 12 18 2 13 17 2 13 24 1 14 25 2 14 27 1 15 31 1 15 32 1 16 30 1 16 32 1 18 25 1 19 21 2 19 28 1 20 24 2 20 29 1 32 21 -1 22 26 1 22 29 1 23 27 1 23 28 1 24 25 1 26 28 2 27 29 2 30 33 1 31 33 1', '33 37 C:22 25.10 -13.89 C:19 11.76 -7.60 O 17.81 -15.28 O 17.81 -9.68 O 22.68 -9.68 O 15.37 -9.68 O 20.24 -15.28 O 9.36 -11.78 O 9.36 -8.95 C:133 14.15 -13.20 C:119 15.37 -13.89 C:117 23.91 -11.78 C:116 22.68 -13.89 C:118 20.24 -11.11 C:41 11.76 -11.78 O 12.96 -9.68 C:142 23.91 -13.20 C:158 22.68 -11.11 C:160 15.37 -11.11 C:164 20.24 -13.89 C:139 14.15 -11.78 C:187 17.81 -13.89 C:188 17.81 -11.08 C:130 21.46 -13.20 C:126 21.46 -11.78 C:133 16.58 -13.20 C:126 18.98 -11.78 C:117 16.58 -11.78 C:110 18.98 -13.20 C:78 11.76 -9.00 C:74 10.57 -11.08 C:72 12.96 -11.11 C:79 10.57 -9.68 1 17 1 30 2 -1 3 22 2 4 23 2 5 18 1 6 19 1 7 20 1 31 8 -1 33 9 -2 10 11 2 10 21 1 11 26 1 12 17 1 12 18 2 13 17 2 13 24 1 14 25 2 14 27 1 15 31 1 15 32 1 16 30 1 16 32 1 18 25 1 19 21 2 19 28 1 20 24 2 20 29 1 32 21 -1 22 26 1 22 29 1 23 27 1 23 28 1 24 25 1 26 28 2 27 29 2 30 33 1 31 33 1', 'C25H22O8', 450.263, 'P', 'ja05_103_9', 3566, '', '', '1', 47, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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'[CH3:22][c:142]8[cH:117][c:158](O)[c:126]7[cH:118][c:9999]6[c:189](=O)[c:117]5[c:160](O)[c:138]([C@H:72]4[CH2:41][C@@H:72](O)[C@H:86](O[C@@H:99]3[CH2:34][C@@H:67](O)[C@@H:79](O[C@@H:99]2[CH2:25][C@@H:25](O[C@H:96]1[CH:144]=[CH:127][C:197](=O)[C@H:71]([CH3:16])O1)[CH2:77][C@H:67]([CH3:17])O2)[C@@H:65]([CH3:16])O3)[C@@H:76]([CH3:19])O4)[cH:133][cH:119][c:9999]5[c:9999](=O)[c:110]6[c:9999](O)[c:130]7[cH:116]8', '58 65 C:3001 26.30 -19.48 C:306 15.43 -8.95 C:406 8.15 -4.77 C:206 12.97 -10.34 C:106 12.97 -13.13 O 8.15 -1.97 O 19.03 -20.86 O 19.03 -15.26 O 23.88 -15.26 O 16.58 -15.26 O 21.45 -20.86 O 8.15 -10.34 O 10.57 -17.36 C:403 10.57 -1.97 C:402 11.78 -2.67 C:8 15.36 -18.78 C:7 16.58 -19.48 C:2 25.11 -17.36 C:4 23.88 -19.48 C:12 21.45 -16.69 C:304 14.22 -6.86 C:202 9.36 -12.43 C:102 12.97 -17.36 C:302 11.78 -6.86 O 10.57 -4.77 O 12.97 -8.95 O 13.03 -4.77 O 11.78 -12.43 O 14.17 -15.26 O 10.57 -8.95 O 10.57 -14.53 C:404 9.36 -2.67 C:3 25.11 -18.78 C:1 23.88 -16.66 C:10 16.58 -16.66 C:5 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