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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(10269, 'Azaleatin', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:5001]O[c:5]2[cH:6][c:7](O)[cH:8][c:9]3o[c:2]([c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)[c:3](O)[c:4](=O)[c:10]23', 'COc2cc(O)cc3oc(c1ccc(O)c(O)c1)c(O)c(=O)c23', '[CH3:9999]O[c:158]2[cH:96][c:163](O)[cH:95][c:161]3o[c:142]([c:122]1[cH:119][cH:116][c:147](O)[c:145](O)[cH:115]1)[c:137](O)[c:171](=O)[c:105]23', '23 25 C:5001 10.03 -12.63 O 13.64 -11.92 O 16.07 -10.53 C:106 17.29 -8.42 C:105 18.50 -7.72 C:102 16.08 -6.32 C:6 10.01 -9.82 C:8 11.23 -7.72 O 8.80 -7.72 O 19.71 -5.62 O 17.29 -4.22 O 11.24 -11.92 O 13.64 -7.72 C:7 10.01 -8.42 C:101 16.08 -7.72 C:104 18.50 -6.32 C:103 17.29 -5.62 C:3 14.85 -9.82 C:5 11.23 -10.53 C:2 14.85 -8.42 C:4 13.64 -10.53 C:9 12.43 -8.42 C:10 12.43 -9.82 1 12 1 2 21 2 3 18 1 4 5 1 4 15 2 5 16 2 6 15 1 6 17 2 7 14 2 7 19 1 8 14 1 8 22 2 9 14 1 10 16 1 11 17 1 12 19 1 13 20 1 13 22 1 15 20 1 16 17 1 18 20 2 18 21 1 19 23 2 21 23 1 22 23 1', '23 25 C 10.03 -12.63 O 13.64 -11.92 O 16.07 -10.53 C 17.29 -8.42 C 18.50 -7.72 C 16.08 -6.32 C 10.01 -9.82 C 11.23 -7.72 O 8.80 -7.72 O 19.71 -5.62 O 17.29 -4.22 O 11.24 -11.92 O 13.64 -7.72 C 10.01 -8.42 C 16.08 -7.72 C 18.50 -6.32 C 17.29 -5.62 C 14.85 -9.82 C 11.23 -10.53 C 14.85 -8.42 C 13.64 -10.53 C 12.43 -8.42 C 12.43 -9.82 1 12 1 2 21 2 3 18 1 4 5 1 4 15 2 5 16 2 6 15 1 6 17 2 7 14 2 7 19 1 8 14 1 8 22 2 9 14 1 10 16 1 11 17 1 12 19 1 13 20 1 13 22 1 15 20 1 16 17 1 18 20 2 18 21 1 19 23 2 21 23 1 22 23 1', '23 25 C 10.03 -12.63 O 13.64 -11.92 O 16.07 -10.53 C:119 17.29 -8.42 C:116 18.50 -7.72 C:115 16.08 -6.32 C:96 10.01 -9.82 C:95 11.23 -7.72 O 8.80 -7.72 O 19.71 -5.62 O 17.29 -4.22 O 11.24 -11.92 O 13.64 -7.72 C:163 10.01 -8.42 C:122 16.08 -7.72 C:147 18.50 -6.32 C:145 17.29 -5.62 C:137 14.85 -9.82 C:158 11.23 -10.53 C:142 14.85 -8.42 C:171 13.64 -10.53 C:161 12.43 -8.42 C:105 12.43 -9.82 1 12 1 2 21 2 3 18 1 4 5 1 4 15 2 5 16 2 6 15 1 6 17 2 7 14 2 7 19 1 8 14 1 8 22 2 9 14 1 10 16 1 11 17 1 12 19 1 13 20 1 13 22 1 15 20 1 16 17 1 18 20 2 18 21 1 19 23 2 21 23 1 22 23 1', 'C16H12O7', 316.167, 'D', '3_416', 2661, '', '', '3', 1, NULL, NULL),
(10270, 'Rhamnetin', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:7001]O[c:7]3[cH:6][c:5](O)[c:10]2[c:4](=O)[c:3](O)[c:2]([c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)o[c:9]2[cH:8]3', 'COc3cc(O)c2c(=O)c(O)c(c1ccc(O)c(O)c1)oc2c3', '[CH3:9999]O[c:165]3[cH:97][c:160](O)[c:104]2[c:176](=O)[c:136](O)[c:147]([c:122]1[cH:120][cH:116][c:148](O)[c:145](O)[cH:115]1)o[c:156]2[cH:92]3', '23 25 O 14.20 -11.92 O 16.63 -10.53 C:106 17.85 -8.42 C:105 19.06 -7.72 C:102 16.64 -6.32 C:6 10.57 -9.82 C:8 11.79 -7.72 O 9.36 -7.72 O 20.27 -5.62 O 17.85 -4.22 O 11.80 -11.92 O 14.20 -7.72 C:7 10.57 -8.42 C:101 16.64 -7.72 C:104 19.06 -6.32 C:103 17.85 -5.62 C:3 15.41 -9.82 C:5 11.79 -10.53 C:2 15.41 -8.42 C:4 14.20 -10.53 C:9 12.99 -8.42 C:10 12.99 -9.82 C:7001 9.36 -6.32 1 20 2 2 17 1 3 4 1 3 14 2 4 15 2 5 14 1 5 16 2 6 13 2 6 18 1 7 13 1 7 21 2 8 13 1 9 15 1 10 16 1 11 18 1 12 19 1 12 21 1 14 19 1 15 16 1 17 19 2 17 20 1 18 22 2 20 22 1 21 22 1 8 23 1', '23 25 O 14.20 -11.92 O 16.63 -10.53 C 17.85 -8.42 C 19.06 -7.72 C 16.64 -6.32 C 10.57 -9.82 C 11.79 -7.72 O 9.36 -7.72 O 20.27 -5.62 O 17.85 -4.22 O 11.80 -11.92 O 14.20 -7.72 C 10.57 -8.42 C 16.64 -7.72 C 19.06 -6.32 C 17.85 -5.62 C 15.41 -9.82 C 11.79 -10.53 C 15.41 -8.42 C 14.20 -10.53 C 12.99 -8.42 C 12.99 -9.82 C 9.36 -6.32 1 20 2 2 17 1 3 4 1 3 14 2 4 15 2 5 14 1 5 16 2 6 13 2 6 18 1 7 13 1 7 21 2 8 13 1 9 15 1 10 16 1 11 18 1 12 19 1 12 21 1 14 19 1 15 16 1 17 19 2 17 20 1 18 22 2 20 22 1 21 22 1 8 23 1', '23 25 O 14.20 -11.92 O 16.63 -10.53 C:120 17.85 -8.42 C:116 19.06 -7.72 C:115 16.64 -6.32 C:97 10.57 -9.82 C:92 11.79 -7.72 O 9.36 -7.72 O 20.27 -5.62 O 17.85 -4.22 O 11.80 -11.92 O 14.20 -7.72 C:165 10.57 -8.42 C:122 16.64 -7.72 C:148 19.06 -6.32 C:145 17.85 -5.62 C:136 15.41 -9.82 C:160 11.79 -10.53 C:147 15.41 -8.42 C:176 14.20 -10.53 C:156 12.99 -8.42 C:104 12.99 -9.82 C 9.36 -6.32 1 20 2 2 17 1 3 4 1 3 14 2 4 15 2 5 14 1 5 16 2 6 13 2 6 18 1 7 13 1 7 21 2 8 13 1 9 15 1 10 16 1 11 18 1 12 19 1 12 21 1 14 19 1 15 16 1 17 19 2 17 20 1 18 22 2 20 22 1 21 22 1 8 23 1', 'C16H12O7', 316.167, 'D', '3_417', 2662, '', '', '3', 1, NULL, NULL),
(10271, 'Ombuine', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:7001]O[c:7]3[cH:6][c:5](O)[c:10]2[c:4](=O)[c:3](O)[c:2]([c:101]1[cH:106][cH:105][c:104](O[CH3:104001])[c:103](O)[cH:102]1)o[c:9]2[cH:8]3', 'COc3cc(O)c2c(=O)c(O)c(c1ccc(OC)c(O)c1)oc2c3', '[CH3:56]O[c:165]3[cH:98][c:160](O)[c:104]2[c:176](=O)[c:136](O)[c:147]([c:122]1[cH:122][cH:112][c:149](O[CH3:56])[c:147](O)[cH:116]1)o[c:156]2[cH:92]3', '24 26 C:7001 8.80 -6.32 O 13.64 -11.92 O 19.71 -5.62 O 17.29 -4.22 O 11.24 -11.92 O 16.07 -10.53 C:105 18.50 -7.72 C:106 17.29 -8.42 C:6 10.01 -9.82 C:102 16.08 -6.32 C:8 11.23 -7.72 O 8.80 -7.72 O 13.64 -7.72 C:7 10.01 -8.42 C:104 18.50 -6.32 C:103 17.29 -5.62 C:5 11.23 -10.53 C:101 16.08 -7.72 C:3 14.85 -9.82 C:2 14.85 -8.42 C:4 13.64 -10.53 C:9 12.43 -8.42 C:10 12.43 -9.82 C:104001 20.92 -6.32 1 12 1 2 21 2 3 15 1 4 16 1 5 17 1 6 19 1 7 8 1 7 15 2 8 18 2 9 14 2 9 17 1 10 16 2 10 18 1 11 14 1 11 22 2 12 14 1 13 20 1 13 22 1 15 16 1 17 23 2 18 20 1 19 20 2 19 21 1 21 23 1 22 23 1 3 24 1', '24 26 C 8.80 -6.32 O 13.64 -11.92 O 19.71 -5.62 O 17.29 -4.22 O 11.24 -11.92 O 16.07 -10.53 C 18.50 -7.72 C 17.29 -8.42 C 10.01 -9.82 C 16.08 -6.32 C 11.23 -7.72 O 8.80 -7.72 O 13.64 -7.72 C 10.01 -8.42 C 18.50 -6.32 C 17.29 -5.62 C 11.23 -10.53 C 16.08 -7.72 C 14.85 -9.82 C 14.85 -8.42 C 13.64 -10.53 C 12.43 -8.42 C 12.43 -9.82 C 20.92 -6.32 1 12 1 2 21 2 3 15 1 4 16 1 5 17 1 6 19 1 7 8 1 7 15 2 8 18 2 9 14 2 9 17 1 10 16 2 10 18 1 11 14 1 11 22 2 12 14 1 13 20 1 13 22 1 15 16 1 17 23 2 18 20 1 19 20 2 19 21 1 21 23 1 22 23 1 3 24 1', '24 26 C:56 8.80 -6.32 O 13.64 -11.92 O 19.71 -5.62 O 17.29 -4.22 O 11.24 -11.92 O 16.07 -10.53 C:112 18.50 -7.72 C:122 17.29 -8.42 C:98 10.01 -9.82 C:116 16.08 -6.32 C:92 11.23 -7.72 O 8.80 -7.72 O 13.64 -7.72 C:165 10.01 -8.42 C:149 18.50 -6.32 C:147 17.29 -5.62 C:160 11.23 -10.53 C:122 16.08 -7.72 C:136 14.85 -9.82 C:147 14.85 -8.42 C:176 13.64 -10.53 C:156 12.43 -8.42 C:104 12.43 -9.82 C:56 20.92 -6.32 1 12 1 2 21 2 3 15 1 4 16 1 5 17 1 6 19 1 7 8 1 7 15 2 8 18 2 9 14 2 9 17 1 10 16 2 10 18 1 11 14 1 11 22 2 12 14 1 13 20 1 13 22 1 15 16 1 17 23 2 18 20 1 19 20 2 19 21 1 21 23 1 22 23 1 3 24 1', 'C17H14O7', 330.178, 'D', '3_418', 2663, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(10290, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:102001]O[c:102]1[cH:103][cH:104][cH:105][cH:106][c:101]1[c:2]3o[c:9]2[cH:8][cH:7][cH:6][cH:5][c:10]2[c:4](=O)[c:3]3O[CH3:3001]', 'COc1ccccc1c3oc2ccccc2c(=O)c3OC', '[CH3:55]O[c:157]1[cH:111][cH:132][cH:120][cH:130][c:118]1[c:155]3o[c:156]2[cH:118][cH:133][cH:124][cH:125][c:124]2[c:174](=O)[c:141]3O[CH3:60]', '21 23 C:3001 16.64 -11.94 O 14.23 -11.94 O 15.45 -5.62 C:104 19.06 -6.33 C:105 19.06 -7.74 C:7 10.58 -8.44 C:6 10.58 -9.84 C:103 17.85 -5.63 C:106 17.85 -8.44 C:8 11.81 -7.74 C:5 11.81 -10.54 O 16.64 -10.54 O 14.23 -7.74 C:102 16.65 -6.33 C:101 16.65 -7.74 C:3 15.43 -9.84 C:2 15.43 -8.44 C:4 14.23 -10.54 C:9 13.02 -8.44 C:10 13.02 -9.84 C:102001 15.46 -4.22 1 12 1 2 18 2 3 14 1 4 5 2 4 8 1 5 9 1 6 7 2 6 10 1 7 11 1 8 14 2 9 15 2 10 19 2 11 20 2 12 16 1 13 17 1 13 19 1 14 15 1 15 17 1 16 17 2 16 18 1 18 20 1 19 20 1 3 21 1', '21 23 C 16.64 -11.94 O 14.23 -11.94 O 15.45 -5.62 C 19.06 -6.33 C 19.06 -7.74 C 10.58 -8.44 C 10.58 -9.84 C 17.85 -5.63 C 17.85 -8.44 C 11.81 -7.74 C 11.81 -10.54 O 16.64 -10.54 O 14.23 -7.74 C 16.65 -6.33 C 16.65 -7.74 C 15.43 -9.84 C 15.43 -8.44 C 14.23 -10.54 C 13.02 -8.44 C 13.02 -9.84 C 15.46 -4.22 1 12 1 2 18 2 3 14 1 4 5 2 4 8 1 5 9 1 6 7 2 6 10 1 7 11 1 8 14 2 9 15 2 10 19 2 11 20 2 12 16 1 13 17 1 13 19 1 14 15 1 15 17 1 16 17 2 16 18 1 18 20 1 19 20 1 3 21 1', '21 23 C:60 16.64 -11.94 O 14.23 -11.94 O 15.45 -5.62 C:132 19.06 -6.33 C:120 19.06 -7.74 C:133 10.58 -8.44 C:124 10.58 -9.84 C:111 17.85 -5.63 C:130 17.85 -8.44 C:118 11.81 -7.74 C:125 11.81 -10.54 O 16.64 -10.54 O 14.23 -7.74 C:157 16.65 -6.33 C:118 16.65 -7.74 C:141 15.43 -9.84 C:155 15.43 -8.44 C:174 14.23 -10.54 C:156 13.02 -8.44 C:124 13.02 -9.84 C:55 15.46 -4.22 1 12 1 2 18 2 3 14 1 4 5 2 4 8 1 5 9 1 6 7 2 6 10 1 7 11 1 8 14 2 9 15 2 10 19 2 11 20 2 12 16 1 13 17 1 13 19 1 14 15 1 15 17 1 16 17 2 16 18 1 18 20 1 19 20 1 3 21 1', 'C17H14O4', 282.18, 'D', '3_443', 2631, '', '', '3', 1, NULL, NULL),
(10291, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:7001]O[c:7]3[cH:6][c:5](O[CH3:5001])[c:10]2[c:4](=O)[c:3](O[CH3:3001])[c:2]([c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)o[c:9]2[cH:8]3', 'COc3cc(OC)c2c(=O)c(OC)c(c1ccccc1)oc2c3', '[CH3:9999]O[c:164]3[cH:96][c:161](O[CH3:9999])[c:109]2[c:174](=O)[c:141](O[CH3:9999])[c:152]([c:131]1[cH:128][cH:128][cH:129][cH:128][cH:129]1)o[c:158]2[cH:92]3', '23 25 C:3001 17.26 -10.88 O 14.85 -10.88 C:104 19.68 -5.27 C:105 19.68 -6.68 C:7 11.20 -7.38 C:6 11.20 -8.78 C:103 18.47 -4.57 C:106 18.47 -7.38 C:8 12.43 -6.68 C:5 12.43 -9.48 O 17.26 -9.48 O 14.85 -6.68 C:102 17.27 -5.27 C:101 17.27 -6.68 C:3 16.05 -8.78 C:2 16.05 -7.38 C:4 14.85 -9.48 C:9 13.64 -7.38 C:10 13.64 -8.78 O 9.99 -6.69 C:7001 9.98 -5.29 O 12.45 -10.88 C:5001 11.25 -11.60 1 11 1 2 17 2 3 4 2 3 7 1 4 8 1 5 6 2 5 9 1 6 10 1 7 13 2 8 14 2 9 18 2 10 19 2 11 15 1 12 16 1 12 18 1 13 14 1 14 16 1 15 16 2 15 17 1 17 19 1 18 19 1 5 20 1 20 21 1 10 22 1 22 23 1', '23 25 C 17.26 -10.88 O 14.85 -10.88 C 19.68 -5.27 C 19.68 -6.68 C 11.20 -7.38 C 11.20 -8.78 C 18.47 -4.57 C 18.47 -7.38 C 12.43 -6.68 C 12.43 -9.48 O 17.26 -9.48 O 14.85 -6.68 C 17.27 -5.27 C 17.27 -6.68 C 16.05 -8.78 C 16.05 -7.38 C 14.85 -9.48 C 13.64 -7.38 C 13.64 -8.78 O 9.99 -6.69 C 9.98 -5.29 O 12.45 -10.88 C 11.25 -11.60 1 11 1 2 17 2 3 4 2 3 7 1 4 8 1 5 6 2 5 9 1 6 10 1 7 13 2 8 14 2 9 18 2 10 19 2 11 15 1 12 16 1 12 18 1 13 14 1 14 16 1 15 16 2 15 17 1 17 19 1 18 19 1 5 20 1 20 21 1 10 22 1 22 23 1', '23 25 C 17.26 -10.88 O 14.85 -10.88 C:129 19.68 -5.27 C:128 19.68 -6.68 C:164 11.20 -7.38 C:96 11.20 -8.78 C:128 18.47 -4.57 C:129 18.47 -7.38 C:92 12.43 -6.68 C:161 12.43 -9.48 O 17.26 -9.48 O 14.85 -6.68 C:128 17.27 -5.27 C:131 17.27 -6.68 C:141 16.05 -8.78 C:152 16.05 -7.38 C:174 14.85 -9.48 C:158 13.64 -7.38 C:109 13.64 -8.78 O 9.99 -6.69 C 9.98 -5.29 O 12.45 -10.88 C 11.25 -11.60 1 11 1 2 17 2 3 4 2 3 7 1 4 8 1 5 6 2 5 9 1 6 10 1 7 13 2 8 14 2 9 18 2 10 19 2 11 15 1 12 16 1 12 18 1 13 14 1 14 16 1 15 16 2 15 17 1 17 19 1 18 19 1 5 20 1 20 21 1 10 22 1 22 23 1', 'C18H16O5', 312.19, 'D', '3_444', 2633, '', '', '3', 1, NULL, NULL),
(10292, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:3001]O[c:3]3[c:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)o[c:9]2[cH:8][c:7](O)[cH:6][c:5](O)[c:10]2[c:4]3=O', 'COc3c(c1ccccc1)oc2cc(O)cc(O)c2c3=O', '[CH3:9999]O[c:139]3[c:155]([c:130]1[cH:128][cH:129][cH:131][cH:129][cH:128]1)o[c:161]2[cH:94][c:165](O)[cH:99][c:157](O)[c:105]2[c:178]3=O', '21 23 C:3001 17.26 -10.88 O 14.85 -10.88 C:104 19.68 -5.27 C:103 18.47 -4.57 C:105 19.68 -6.68 C:102 17.27 -5.27 C:106 18.47 -7.38 C:6 11.20 -8.78 C:8 12.43 -6.68 O 9.99 -6.69 O 12.45 -10.88 O 17.26 -9.48 O 14.85 -6.68 C:7 11.20 -7.38 C:101 17.27 -6.68 C:5 12.43 -9.48 C:3 16.05 -8.78 C:2 16.05 -7.38 C:4 14.85 -9.48 C:9 13.64 -7.38 C:10 13.64 -8.78 1 12 1 2 19 2 3 4 1 3 5 2 4 6 2 5 7 1 6 15 1 7 15 2 8 14 2 8 16 1 9 14 1 9 20 2 10 14 1 11 16 1 12 17 1 13 18 1 13 20 1 15 18 1 16 21 2 17 18 2 17 19 1 19 21 1 20 21 1', '21 23 C 17.26 -10.88 O 14.85 -10.88 C 19.68 -5.27 C 18.47 -4.57 C 19.68 -6.68 C 17.27 -5.27 C 18.47 -7.38 C 11.20 -8.78 C 12.43 -6.68 O 9.99 -6.69 O 12.45 -10.88 O 17.26 -9.48 O 14.85 -6.68 C 11.20 -7.38 C 17.27 -6.68 C 12.43 -9.48 C 16.05 -8.78 C 16.05 -7.38 C 14.85 -9.48 C 13.64 -7.38 C 13.64 -8.78 1 12 1 2 19 2 3 4 1 3 5 2 4 6 2 5 7 1 6 15 1 7 15 2 8 14 2 8 16 1 9 14 1 9 20 2 10 14 1 11 16 1 12 17 1 13 18 1 13 20 1 15 18 1 16 21 2 17 18 2 17 19 1 19 21 1 20 21 1', '21 23 C 17.26 -10.88 O 14.85 -10.88 C:131 19.68 -5.27 C:129 18.47 -4.57 C:129 19.68 -6.68 C:128 17.27 -5.27 C:128 18.47 -7.38 C:99 11.20 -8.78 C:94 12.43 -6.68 O 9.99 -6.69 O 12.45 -10.88 O 17.26 -9.48 O 14.85 -6.68 C:165 11.20 -7.38 C:130 17.27 -6.68 C:157 12.43 -9.48 C:139 16.05 -8.78 C:155 16.05 -7.38 C:178 14.85 -9.48 C:161 13.64 -7.38 C:105 13.64 -8.78 1 12 1 2 19 2 3 4 1 3 5 2 4 6 2 5 7 1 6 15 1 7 15 2 8 14 2 8 16 1 9 14 1 9 20 2 10 14 1 11 16 1 12 17 1 13 18 1 13 20 1 15 18 1 16 21 2 17 18 2 17 19 1 19 21 1 20 21 1', 'C16H12O5', 284.168, 'D', '3_445', 2668, '', '', '3', 1, NULL, NULL),
(10293, 'Isokaemferide', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:3001]O[c:3]3[c:2]([c:101]1[cH:102][cH:103][c:104](O)[cH:105][cH:106]1)o[c:9]2[cH:8][c:7](O)[cH:6][c:5](O)[c:10]2[c:4]3=O', 'COc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O', '[CH3:62]O[c:139]3[c:157]([c:122]1[cH:132][cH:118][c:162](O)[cH:118][cH:132]1)o[c:158]2[cH:96][c:167](O)[cH:101][c:163](O)[c:106]2[c:180]3=O', '22 24 C:3001 17.26 -10.88 O 14.85 -10.88 O 9.99 -6.69 O 12.45 -10.88 C:104 19.68 -5.27 C:105 19.68 -6.68 C:103 18.47 -4.57 C:106 18.47 -7.38 C:102 17.27 -5.27 C:6 11.20 -8.78 C:8 12.43 -6.68 O 17.26 -9.48 O 14.85 -6.68 C:7 11.20 -7.38 C:5 12.43 -9.48 C:101 17.27 -6.68 C:3 16.05 -8.78 C:2 16.05 -7.38 C:4 14.85 -9.48 C:9 13.64 -7.38 C:10 13.64 -8.78 O 20.89 -4.56 1 12 1 2 19 2 3 14 1 4 15 1 5 6 2 5 7 1 6 8 1 7 9 2 8 16 2 9 16 1 10 14 2 10 15 1 11 14 1 11 20 2 12 17 1 13 18 1 13 20 1 15 21 2 16 18 1 17 18 2 17 19 1 19 21 1 20 21 1 5 22 1', '22 24 C 17.26 -10.88 O 14.85 -10.88 O 9.99 -6.69 O 12.45 -10.88 C 19.68 -5.27 C 19.68 -6.68 C 18.47 -4.57 C 18.47 -7.38 C 17.27 -5.27 C 11.20 -8.78 C 12.43 -6.68 O 17.26 -9.48 O 14.85 -6.68 C 11.20 -7.38 C 12.43 -9.48 C 17.27 -6.68 C 16.05 -8.78 C 16.05 -7.38 C 14.85 -9.48 C 13.64 -7.38 C 13.64 -8.78 O 20.89 -4.56 1 12 1 2 19 2 3 14 1 4 15 1 5 6 2 5 7 1 6 8 1 7 9 2 8 16 2 9 16 1 10 14 2 10 15 1 11 14 1 11 20 2 12 17 1 13 18 1 13 20 1 15 21 2 16 18 1 17 18 2 17 19 1 19 21 1 20 21 1 5 22 1', '22 24 C:62 17.26 -10.88 O 14.85 -10.88 O 9.99 -6.69 O 12.45 -10.88 C:162 19.68 -5.27 C:118 19.68 -6.68 C:118 18.47 -4.57 C:132 18.47 -7.38 C:132 17.27 -5.27 C:101 11.20 -8.78 C:96 12.43 -6.68 O 17.26 -9.48 O 14.85 -6.68 C:167 11.20 -7.38 C:163 12.43 -9.48 C:122 17.27 -6.68 C:139 16.05 -8.78 C:157 16.05 -7.38 C:180 14.85 -9.48 C:158 13.64 -7.38 C:106 13.64 -8.78 O 20.89 -4.56 1 12 1 2 19 2 3 14 1 4 15 1 5 6 2 5 7 1 6 8 1 7 9 2 8 16 2 9 16 1 10 14 2 10 15 1 11 14 1 11 20 2 12 17 1 13 18 1 13 20 1 15 21 2 16 18 1 17 18 2 17 19 1 19 21 1 20 21 1 5 22 1', 'C16H12O6', 300.168, 'D', '3_449', 2672, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(10311, 'Centaureidin', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:104001]O[c:104]3[cH:105][cH:106][c:101]([c:2]2o[c:9]1[cH:8][c:7](O)[c:6](O[CH3:6001])[c:5](O)[c:10]1[c:4](=O)[c:3]2O[CH3:3001])[cH:102][c:103]3O', 'COc3ccc(c2oc1cc(O)c(OC)c(O)c1c(=O)c2OC)cc3O', '[CH3:9999]O[c:150]3[cH:112][cH:120][c:122]([c:155]2o[c:152]1[cH:94][c:158](O)[c:131](O[CH3:60])[c:152](O)[c:104]1[c:178](=O)[c:138]2O[CH3:60])[cH:115][c:146]3O', '26 28 C:104001 21.52 -6.29 C:6001 8.17 -9.77 C:3001 16.66 -11.89 O 14.24 -11.89 O 11.83 -11.89 C:106 17.88 -8.38 C:105 19.09 -7.68 C:102 16.67 -6.29 C:8 11.82 -7.68 O 20.30 -5.59 O 17.88 -4.19 O 9.38 -7.68 O 9.38 -10.48 O 16.67 -10.49 O 14.24 -7.68 C:101 16.67 -7.68 C:104 19.09 -6.29 C:103 17.88 -5.59 C:7 10.60 -8.38 C:5 11.82 -10.49 C:6 10.60 -9.78 C:3 15.45 -9.78 C:2 15.45 -8.38 C:4 14.24 -10.49 C:9 13.03 -8.38 C:10 13.03 -9.78 1 10 1 2 13 1 3 14 1 4 24 2 5 20 1 6 7 1 6 16 2 7 17 2 8 16 1 8 18 2 9 19 1 9 25 2 10 17 1 11 18 1 12 19 1 13 21 1 14 22 1 15 23 1 15 25 1 16 23 1 17 18 1 19 21 2 20 21 1 20 26 2 22 23 2 22 24 1 24 26 1 25 26 1', '26 28 C 21.52 -6.29 C 8.17 -9.77 C 16.66 -11.89 O 14.24 -11.89 O 11.83 -11.89 C 17.88 -8.38 C 19.09 -7.68 C 16.67 -6.29 C 11.82 -7.68 O 20.30 -5.59 O 17.88 -4.19 O 9.38 -7.68 O 9.38 -10.48 O 16.67 -10.49 O 14.24 -7.68 C 16.67 -7.68 C 19.09 -6.29 C 17.88 -5.59 C 10.60 -8.38 C 11.82 -10.49 C 10.60 -9.78 C 15.45 -9.78 C 15.45 -8.38 C 14.24 -10.49 C 13.03 -8.38 C 13.03 -9.78 1 10 1 2 13 1 3 14 1 4 24 2 5 20 1 6 7 1 6 16 2 7 17 2 8 16 1 8 18 2 9 19 1 9 25 2 10 17 1 11 18 1 12 19 1 13 21 1 14 22 1 15 23 1 15 25 1 16 23 1 17 18 1 19 21 2 20 21 1 20 26 2 22 23 2 22 24 1 24 26 1 25 26 1', '26 28 C 21.52 -6.29 C:60 8.17 -9.77 C:60 16.66 -11.89 O 14.24 -11.89 O 11.83 -11.89 C:120 17.88 -8.38 C:112 19.09 -7.68 C:115 16.67 -6.29 C:94 11.82 -7.68 O 20.30 -5.59 O 17.88 -4.19 O 9.38 -7.68 O 9.38 -10.48 O 16.67 -10.49 O 14.24 -7.68 C:122 16.67 -7.68 C:150 19.09 -6.29 C:146 17.88 -5.59 C:158 10.60 -8.38 C:152 11.82 -10.49 C:131 10.60 -9.78 C:138 15.45 -9.78 C:155 15.45 -8.38 C:178 14.24 -10.49 C:152 13.03 -8.38 C:104 13.03 -9.78 1 10 1 2 13 1 3 14 1 4 24 2 5 20 1 6 7 1 6 16 2 7 17 2 8 16 1 8 18 2 9 19 1 9 25 2 10 17 1 11 18 1 12 19 1 13 21 1 14 22 1 15 23 1 15 25 1 16 23 1 17 18 1 19 21 2 20 21 1 20 26 2 22 23 2 22 24 1 24 26 1 25 26 1', 'C18H16O8', 360.188, 'D', '3_484', 2674, '', '', '3', 1, NULL, NULL),
(10312, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:103001]O[c:103]3[cH:102][c:101]([c:2]2o[c:9]1[cH:8][c:7](O)[c:6](O[CH3:6001])[c:5](O)[c:10]1[c:4](=O)[c:3]2O[CH3:3001])[cH:106][cH:105][c:104]3O', 'COc3cc(c2oc1cc(O)c(OC)c(O)c1c(=O)c2OC)ccc3O', '[CH3:56]O[c:147]3[cH:112][c:121]([c:155]2o[c:152]1[cH:94][c:158](O)[c:131](O[CH3:60])[c:152](O)[c:104]1[c:178](=O)[c:137]2O[CH3:60])[cH:122][cH:116][c:150]3O', '26 28 C:6001 8.78 -10.15 C:3001 17.26 -12.27 O 14.85 -12.27 O 12.44 -12.27 C:106 18.48 -8.76 C:105 19.69 -8.06 C:102 17.27 -6.68 C:8 12.43 -8.06 O 20.90 -5.98 O 18.48 -4.58 O 9.99 -8.06 O 9.99 -10.86 O 17.27 -10.87 O 14.85 -8.06 C:101 17.27 -8.06 C:104 19.69 -6.68 C:103 18.48 -5.98 C:7 11.21 -8.76 C:5 12.43 -10.87 C:6 11.21 -10.16 C:3 16.06 -10.16 C:2 16.06 -8.76 C:4 14.85 -10.87 C:9 13.64 -8.76 C:10 13.64 -10.16 C:103001 19.70 -3.88 1 12 1 2 13 1 3 23 2 4 19 1 5 6 1 5 15 2 6 16 2 7 15 1 7 17 2 8 18 1 8 24 2 9 16 1 10 17 1 11 18 1 12 20 1 13 21 1 14 22 1 14 24 1 15 22 1 16 17 1 18 20 2 19 20 1 19 25 2 21 22 2 21 23 1 23 25 1 24 25 1 10 26 1', '26 28 C 8.78 -10.15 C 17.26 -12.27 O 14.85 -12.27 O 12.44 -12.27 C 18.48 -8.76 C 19.69 -8.06 C 17.27 -6.68 C 12.43 -8.06 O 20.90 -5.98 O 18.48 -4.58 O 9.99 -8.06 O 9.99 -10.86 O 17.27 -10.87 O 14.85 -8.06 C 17.27 -8.06 C 19.69 -6.68 C 18.48 -5.98 C 11.21 -8.76 C 12.43 -10.87 C 11.21 -10.16 C 16.06 -10.16 C 16.06 -8.76 C 14.85 -10.87 C 13.64 -8.76 C 13.64 -10.16 C 19.70 -3.88 1 12 1 2 13 1 3 23 2 4 19 1 5 6 1 5 15 2 6 16 2 7 15 1 7 17 2 8 18 1 8 24 2 9 16 1 10 17 1 11 18 1 12 20 1 13 21 1 14 22 1 14 24 1 15 22 1 16 17 1 18 20 2 19 20 1 19 25 2 21 22 2 21 23 1 23 25 1 24 25 1 10 26 1', '26 28 C:60 8.78 -10.15 C:60 17.26 -12.27 O 14.85 -12.27 O 12.44 -12.27 C:122 18.48 -8.76 C:116 19.69 -8.06 C:112 17.27 -6.68 C:94 12.43 -8.06 O 20.90 -5.98 O 18.48 -4.58 O 9.99 -8.06 O 9.99 -10.86 O 17.27 -10.87 O 14.85 -8.06 C:121 17.27 -8.06 C:150 19.69 -6.68 C:147 18.48 -5.98 C:158 11.21 -8.76 C:152 12.43 -10.87 C:131 11.21 -10.16 C:137 16.06 -10.16 C:155 16.06 -8.76 C:178 14.85 -10.87 C:152 13.64 -8.76 C:104 13.64 -10.16 C:56 19.70 -3.88 1 12 1 2 13 1 3 23 2 4 19 1 5 6 1 5 15 2 6 16 2 7 15 1 7 17 2 8 18 1 8 24 2 9 16 1 10 17 1 11 18 1 12 20 1 13 21 1 14 22 1 14 24 1 15 22 1 16 17 1 18 20 2 19 20 1 19 25 2 21 22 2 21 23 1 23 25 1 24 25 1 10 26 1', 'C18H16O8', 360.188, 'D', '3_486', 2670, '', '', '3', 1, NULL, NULL),
(10313, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:104001]O[c:104]3[cH:105][cH:106][c:101]([c:2]2o[c:9]1[cH:8][c:7](O[CH3:7001])[c:6](O[CH3:6001])[c:5](O)[c:10]1[c:4](=O)[c:3]2O[CH3:3001])[cH:102][c:103]3O', 'COc3ccc(c2oc1cc(OC)c(OC)c(O)c1c(=O)c2OC)cc3O', '[CH3:55]O[c:150]3[cH:112][cH:120][c:122]([c:155]2o[c:158]1[cH:91][c:155](O[CH3:9999])[c:131](O[CH3:56])[c:151](O)[c:105]1[c:178](=O)[c:138]2O[CH3:60])[cH:111][c:146]3O', '27 29 C:104001 22.80 -8.79 C:7001 10.67 -8.79 C:6001 9.46 -12.28 C:3001 17.94 -14.40 O 15.53 -14.40 O 19.16 -6.71 O 13.12 -14.40 C:106 19.16 -10.89 C:105 20.38 -10.19 C:102 17.94 -8.79 C:8 13.12 -10.19 O 21.59 -8.11 O 10.67 -10.19 O 10.67 -12.99 O 17.94 -13.00 O 15.53 -10.19 C:103 19.16 -8.11 C:101 17.94 -10.19 C:104 20.38 -8.79 C:7 11.89 -10.89 C:5 13.12 -12.99 C:6 11.89 -12.28 C:3 16.74 -12.29 C:2 16.74 -10.89 C:4 15.53 -12.99 C:9 14.32 -10.89 C:10 14.32 -12.28 1 12 1 2 13 1 3 14 1 4 15 1 5 25 2 6 17 1 7 21 1 8 9 1 8 18 2 9 19 2 10 17 2 10 18 1 11 20 1 11 26 2 12 19 1 13 20 1 14 22 1 15 23 1 16 24 1 16 26 1 17 19 1 18 24 1 20 22 2 21 22 1 21 27 2 23 24 2 23 25 1 25 27 1 26 27 1', '27 29 C 22.80 -8.79 C 10.67 -8.79 C 9.46 -12.28 C 17.94 -14.40 O 15.53 -14.40 O 19.16 -6.71 O 13.12 -14.40 C 19.16 -10.89 C 20.38 -10.19 C 17.94 -8.79 C 13.12 -10.19 O 21.59 -8.11 O 10.67 -10.19 O 10.67 -12.99 O 17.94 -13.00 O 15.53 -10.19 C 19.16 -8.11 C 17.94 -10.19 C 20.38 -8.79 C 11.89 -10.89 C 13.12 -12.99 C 11.89 -12.28 C 16.74 -12.29 C 16.74 -10.89 C 15.53 -12.99 C 14.32 -10.89 C 14.32 -12.28 1 12 1 2 13 1 3 14 1 4 15 1 5 25 2 6 17 1 7 21 1 8 9 1 8 18 2 9 19 2 10 17 2 10 18 1 11 20 1 11 26 2 12 19 1 13 20 1 14 22 1 15 23 1 16 24 1 16 26 1 17 19 1 18 24 1 20 22 2 21 22 1 21 27 2 23 24 2 23 25 1 25 27 1 26 27 1', '27 29 C:55 22.80 -8.79 C 10.67 -8.79 C:56 9.46 -12.28 C:60 17.94 -14.40 O 15.53 -14.40 O 19.16 -6.71 O 13.12 -14.40 C:120 19.16 -10.89 C:112 20.38 -10.19 C:111 17.94 -8.79 C:91 13.12 -10.19 O 21.59 -8.11 O 10.67 -10.19 O 10.67 -12.99 O 17.94 -13.00 O 15.53 -10.19 C:146 19.16 -8.11 C:122 17.94 -10.19 C:150 20.38 -8.79 C:155 11.89 -10.89 C:151 13.12 -12.99 C:131 11.89 -12.28 C:138 16.74 -12.29 C:155 16.74 -10.89 C:178 15.53 -12.99 C:158 14.32 -10.89 C:105 14.32 -12.28 1 12 1 2 13 1 3 14 1 4 15 1 5 25 2 6 17 1 7 21 1 8 9 1 8 18 2 9 19 2 10 17 2 10 18 1 11 20 1 11 26 2 12 19 1 13 20 1 14 22 1 15 23 1 16 24 1 16 26 1 17 19 1 18 24 1 20 22 2 21 22 1 21 27 2 23 24 2 23 25 1 25 27 1 26 27 1', 'C19H18O8', 374.198, 'D', '3_487', 2617, '', '', '3', 1, NULL, NULL),
(10314, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:3001]O[c:3]3[c:2]([c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)o[c:9]2[c:8](O)[c:7](O)[cH:6][c:5](O)[c:10]2[c:4]3=O', 'COc3c(c1ccc(O)c(O)c1)oc2c(O)c(O)cc(O)c2c3=O', '[CH3:60]O[c:138]3[c:156]([c:121]1[cH:121][cH:116][c:149](O)[c:145](O)[cH:116]1)o[c:145]2[c:125](O)[c:154](O)[cH:98][c:153](O)[c:104]2[c:178]3=O', '24 26 C:3 15.43 -9.84 C:2 15.43 -8.44 O 14.22 -7.74 C:9 13.01 -8.44 C:10 13.01 -9.84 C:4 14.22 -10.54 C:8 11.80 -7.74 C:7 10.58 -8.44 C:6 10.58 -9.84 C:5 11.80 -10.54 C:101 16.65 -7.74 C:106 17.86 -8.44 C:105 19.07 -7.74 C:104 19.07 -6.34 C:103 17.86 -5.64 C:102 16.65 -6.34 O 14.22 -11.94 O 9.37 -7.74 O 11.81 -11.94 O 11.81 -6.34 O 16.65 -10.54 C:3001 16.64 -11.94 O 17.86 -4.24 O 20.29 -5.64 1 2 2 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 10 19 1 7 20 1 1 21 1 21 22 1 15 23 1 14 24 1', '24 26 C 15.43 -9.84 C 15.43 -8.44 O 14.22 -7.74 C 13.01 -8.44 C 13.01 -9.84 C 14.22 -10.54 C 11.80 -7.74 C 10.58 -8.44 C 10.58 -9.84 C 11.80 -10.54 C 16.65 -7.74 C 17.86 -8.44 C 19.07 -7.74 C 19.07 -6.34 C 17.86 -5.64 C 16.65 -6.34 O 14.22 -11.94 O 9.37 -7.74 O 11.81 -11.94 O 11.81 -6.34 O 16.65 -10.54 C 16.64 -11.94 O 17.86 -4.24 O 20.29 -5.64 1 2 2 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 10 19 1 7 20 1 1 21 1 21 22 1 15 23 1 14 24 1', '24 26 C:138 15.43 -9.84 C:156 15.43 -8.44 O 14.22 -7.74 C:145 13.01 -8.44 C:104 13.01 -9.84 C:178 14.22 -10.54 C:125 11.80 -7.74 C:154 10.58 -8.44 C:98 10.58 -9.84 C:153 11.80 -10.54 C:121 16.65 -7.74 C:121 17.86 -8.44 C:116 19.07 -7.74 C:149 19.07 -6.34 C:145 17.86 -5.64 C:116 16.65 -6.34 O 14.22 -11.94 O 9.37 -7.74 O 11.81 -11.94 O 11.81 -6.34 O 16.65 -10.54 C:60 16.64 -11.94 O 17.86 -4.24 O 20.29 -5.64 1 2 2 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 10 19 1 7 20 1 1 21 1 21 22 1 15 23 1 14 24 1', 'C16H12O8', 332.166, 'D', '3_491', 2670, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(10331, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:105001]O[c:105]3[cH:106][c:101]([c:2]2o[c:9]1[c:8](O[CH3:8001])[c:7](O)[c:6](O[CH3:6001])[c:5](O)[c:10]1[c:4](=O)[c:3]2O[CH3:3001])[cH:102][c:103](O[CH3:103001])[c:104]3O[CH3:104001]', 'COc3cc(c2oc1c(OC)c(O)c(OC)c(O)c1c(=O)c2OC)cc(OC)c3OC', '[CH3:9999]O[c:153]3[cH:106][c:125]([c:154]2o[c:145]1[c:128](O[CH3:60])[c:151](O)[c:131](O[CH3:56])[c:148](O)[c:104]1[c:178](=O)[c:138]2O[CH3:60])[cH:106][c:153](O[CH3:61])[c:140]3O[CH3:9999]', '31 33 C:105001 21.57 -12.68 C:103001 20.36 -6.39 C:104001 22.78 -9.19 C:6001 9.44 -12.68 C:3001 17.93 -14.80 C:8001 14.32 -8.50 O 15.51 -14.80 O 10.65 -10.60 O 13.12 -14.80 C:106 19.15 -11.30 C:102 17.93 -9.19 O 21.57 -11.30 O 19.15 -7.09 O 21.57 -8.50 O 10.65 -13.39 O 17.93 -13.39 O 13.12 -9.19 O 15.51 -10.60 C:101 17.93 -10.60 C:105 20.36 -10.60 C:103 19.15 -8.50 C:7 11.86 -11.30 C:5 13.12 -13.39 C:104 20.36 -9.19 C:6 11.86 -12.68 C:3 16.72 -12.68 C:2 16.72 -11.30 C:8 13.12 -10.60 C:4 15.51 -13.39 C:9 14.32 -11.30 C:10 14.32 -12.68 1 12 1 2 13 1 3 14 1 4 15 1 5 16 1 6 17 1 7 29 2 8 22 1 9 23 1 10 19 2 10 20 1 11 19 1 11 21 2 12 20 1 13 21 1 14 24 1 15 25 1 16 26 1 17 28 1 18 27 1 18 30 1 19 27 1 20 24 2 21 24 1 22 25 2 22 28 1 23 25 1 23 31 2 26 27 2 26 29 1 28 30 2 29 31 1 30 31 1', '31 33 C 21.57 -12.68 C 20.36 -6.39 C 22.78 -9.19 C 9.44 -12.68 C 17.93 -14.80 C 14.32 -8.50 O 15.51 -14.80 O 10.65 -10.60 O 13.12 -14.80 C 19.15 -11.30 C 17.93 -9.19 O 21.57 -11.30 O 19.15 -7.09 O 21.57 -8.50 O 10.65 -13.39 O 17.93 -13.39 O 13.12 -9.19 O 15.51 -10.60 C 17.93 -10.60 C 20.36 -10.60 C 19.15 -8.50 C 11.86 -11.30 C 13.12 -13.39 C 20.36 -9.19 C 11.86 -12.68 C 16.72 -12.68 C 16.72 -11.30 C 13.12 -10.60 C 15.51 -13.39 C 14.32 -11.30 C 14.32 -12.68 1 12 1 2 13 1 3 14 1 4 15 1 5 16 1 6 17 1 7 29 2 8 22 1 9 23 1 10 19 2 10 20 1 11 19 1 11 21 2 12 20 1 13 21 1 14 24 1 15 25 1 16 26 1 17 28 1 18 27 1 18 30 1 19 27 1 20 24 2 21 24 1 22 25 2 22 28 1 23 25 1 23 31 2 26 27 2 26 29 1 28 30 2 29 31 1 30 31 1', '31 33 C 21.57 -12.68 C:61 20.36 -6.39 C 22.78 -9.19 C:56 9.44 -12.68 C:60 17.93 -14.80 C:60 14.32 -8.50 O 15.51 -14.80 O 10.65 -10.60 O 13.12 -14.80 C:106 19.15 -11.30 C:106 17.93 -9.19 O 21.57 -11.30 O 19.15 -7.09 O 21.57 -8.50 O 10.65 -13.39 O 17.93 -13.39 O 13.12 -9.19 O 15.51 -10.60 C:125 17.93 -10.60 C:153 20.36 -10.60 C:153 19.15 -8.50 C:151 11.86 -11.30 C:148 13.12 -13.39 C:140 20.36 -9.19 C:131 11.86 -12.68 C:138 16.72 -12.68 C:154 16.72 -11.30 C:128 13.12 -10.60 C:178 15.51 -13.39 C:145 14.32 -11.30 C:104 14.32 -12.68 1 12 1 2 13 1 3 14 1 4 15 1 5 16 1 6 17 1 7 29 2 8 22 1 9 23 1 10 19 2 10 20 1 11 19 1 11 21 2 12 20 1 13 21 1 14 24 1 15 25 1 16 26 1 17 28 1 18 27 1 18 30 1 19 27 1 20 24 2 21 24 1 22 25 2 22 28 1 23 25 1 23 31 2 26 27 2 26 29 1 28 30 2 29 31 1 30 31 1', 'C21H22O10', 434.219, 'D', '3_514', 2670, '', '', '3', 1, NULL, NULL),
(10332, 'Dihydrokaranjin methyl ether', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:3001]O[c:3]4[c:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)o[c:9]3[c:8]2[CH2:8001][CH2:8002]O[c:7]2[cH:6][cH:5][c:10]3[c:4]4=O', 'COc4c(c1ccccc1)oc3c2CCOc2ccc3c4=O', '[CH3:60]O[c:140]4[c:154]([c:130]1[cH:128][cH:128][cH:130][cH:128][cH:128]1)o[c:147]3[c:121]2[CH2:26][CH2:73]O[c:166]2[cH:108][cH:126][c:118]3[c:173]4=O', '22 25 C:3001 17.14 -11.42 O 14.72 -11.42 C:104 19.58 -5.82 C:103 18.37 -5.12 C:105 19.58 -7.22 C:102 17.15 -5.82 C:106 18.37 -7.92 C:6 11.09 -9.32 C:8002 10.63 -5.70 C:8001 12.02 -5.85 O 17.14 -10.02 O 10.06 -6.98 O 14.72 -7.22 C:101 17.15 -7.22 C:5 12.31 -10.02 C:7 11.09 -7.92 C:3 15.93 -9.32 C:8 12.31 -7.22 C:2 15.93 -7.92 C:4 14.72 -10.02 C:9 13.52 -7.92 C:10 13.52 -9.32 1 11 1 2 20 2 3 4 1 3 5 2 4 6 2 5 7 1 6 14 1 7 14 2 8 15 1 8 16 2 9 10 1 9 12 1 10 18 1 11 17 1 12 16 1 13 19 1 13 21 1 14 19 1 15 22 2 16 18 1 17 19 2 17 20 1 18 21 2 20 22 1 21 22 1', '22 25 C 17.14 -11.42 O 14.72 -11.42 C 19.58 -5.82 C 18.37 -5.12 C 19.58 -7.22 C 17.15 -5.82 C 18.37 -7.92 C 11.09 -9.32 C 10.63 -5.70 C 12.02 -5.85 O 17.14 -10.02 O 10.06 -6.98 O 14.72 -7.22 C 17.15 -7.22 C 12.31 -10.02 C 11.09 -7.92 C 15.93 -9.32 C 12.31 -7.22 C 15.93 -7.92 C 14.72 -10.02 C 13.52 -7.92 C 13.52 -9.32 1 11 1 2 20 2 3 4 1 3 5 2 4 6 2 5 7 1 6 14 1 7 14 2 8 15 1 8 16 2 9 10 1 9 12 1 10 18 1 11 17 1 12 16 1 13 19 1 13 21 1 14 19 1 15 22 2 16 18 1 17 19 2 17 20 1 18 21 2 20 22 1 21 22 1', '22 25 C:60 17.14 -11.42 O 14.72 -11.42 C:130 19.58 -5.82 C:128 18.37 -5.12 C:128 19.58 -7.22 C:128 17.15 -5.82 C:128 18.37 -7.92 C:108 11.09 -9.32 C:73 10.63 -5.70 C:26 12.02 -5.85 O 17.14 -10.02 O 10.06 -6.98 O 14.72 -7.22 C:130 17.15 -7.22 C:126 12.31 -10.02 C:166 11.09 -7.92 C:140 15.93 -9.32 C:121 12.31 -7.22 C:154 15.93 -7.92 C:173 14.72 -10.02 C:147 13.52 -7.92 C:118 13.52 -9.32 1 11 1 2 20 2 3 4 1 3 5 2 4 6 2 5 7 1 6 14 1 7 14 2 8 15 1 8 16 2 9 10 1 9 12 1 10 18 1 11 17 1 12 16 1 13 19 1 13 21 1 14 19 1 15 22 2 16 18 1 17 19 2 17 20 1 18 21 2 20 22 1 21 22 1', 'C18H14O4', 294.19, 'C', '3_447', 2637, '', '', '3', 1, NULL, NULL),
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(10348, 'Broussoflavonol', 'C', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH2:106003]=[CH:106002][C:106001]([CH3:106101])([CH3:106102])[c:106]1[cH:105][c:104](O)[c:103](O)[c:102]([CH2:102001][CH:102002]=[C:102003]([CH3:102103])[CH3:102004])[c:101]1[c:2]3o[c:9]2[c:8]([CH2:8001][CH:8002]=[C:8003]([CH3:8004])[CH3:8103])[c:7](O)[cH:6][c:5](O)[c:10]2[c:4](=O)[c:3]3O', 'C=CC(C)(C)c1cc(O)c(O)c(CC=C(C)C)c1c3oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c3O', '[CH2:113]=[CH:149][C:41]([CH3:28])([CH3:27])[c:131]1[cH:114][c:144](O)[c:142](O)[c:126]([CH2:26][CH:121]=[C:134]([CH3:18])[CH3:26])[c:121]1[c:148]3o[c:155]2[c:110]([CH2:29][CH:123]=[C:132]([CH3:25])[CH3:18])[c:161](O)[cH:101][c:159](O)[c:105]2[c:175](=O)[c:136]3O', '37 39 C:106003 20.39 -15.47 C:102103 14.32 -7.79 C:102004 15.53 -5.70 C:8004 10.68 -7.06 C:8103 13.12 -7.08 C:106101 19.17 -14.77 C:106102 17.95 -12.67 O 15.53 -15.47 O 21.59 -9.17 O 10.68 -11.27 O 13.12 -15.47 O 19.17 -7.78 O 17.95 -14.07 C:106002 20.39 -14.07 C:102002 16.74 -7.78 C:8002 11.89 -9.16 C:6 11.89 -13.37 C:105 20.39 -11.27 C:102001 16.74 -9.17 C:8001 13.12 -9.87 O 15.53 -11.27 C:102003 15.53 -7.10 C:8003 11.89 -7.77 C:104 20.39 -9.87 C:7 11.89 -11.97 C:5 13.12 -14.07 C:103 19.17 -9.17 C:3 16.74 -13.37 C:102 17.95 -9.87 C:106 19.17 -11.97 C:2 16.74 -11.97 C:8 13.12 -11.27 C:101 17.95 -11.27 C:4 15.53 -14.07 C:9 14.32 -11.97 C:10 14.32 -13.37 C:106001 19.17 -13.37 1 14 2 2 22 1 3 22 1 4 23 1 5 23 1 6 37 1 7 37 1 8 34 2 9 24 1 10 25 1 11 26 1 12 27 1 13 28 1 14 37 1 15 19 1 15 22 2 16 20 1 16 23 2 17 25 2 17 26 1 18 24 2 18 30 1 19 29 1 20 32 1 21 31 1 21 35 1 24 27 1 25 32 1 26 36 2 27 29 2 28 31 2 28 34 1 29 33 1 30 33 2 30 37 1 31 33 1 32 35 2 34 36 1 35 36 1', '37 39 C 20.39 -15.47 C 14.32 -7.79 C 15.53 -5.70 C 10.68 -7.06 C 13.12 -7.08 C 19.17 -14.77 C 17.95 -12.67 O 15.53 -15.47 O 21.59 -9.17 O 10.68 -11.27 O 13.12 -15.47 O 19.17 -7.78 O 17.95 -14.07 C 20.39 -14.07 C 16.74 -7.78 C 11.89 -9.16 C 11.89 -13.37 C 20.39 -11.27 C 16.74 -9.17 C 13.12 -9.87 O 15.53 -11.27 C 15.53 -7.10 C 11.89 -7.77 C 20.39 -9.87 C 11.89 -11.97 C 13.12 -14.07 C 19.17 -9.17 C 16.74 -13.37 C 17.95 -9.87 C 19.17 -11.97 C 16.74 -11.97 C 13.12 -11.27 C 17.95 -11.27 C 15.53 -14.07 C 14.32 -11.97 C 14.32 -13.37 C 19.17 -13.37 1 14 2 2 22 1 3 22 1 4 23 1 5 23 1 6 37 1 7 37 1 8 34 2 9 24 1 10 25 1 11 26 1 12 27 1 13 28 1 14 37 1 15 19 1 15 22 2 16 20 1 16 23 2 17 25 2 17 26 1 18 24 2 18 30 1 19 29 1 20 32 1 21 31 1 21 35 1 24 27 1 25 32 1 26 36 2 27 29 2 28 31 2 28 34 1 29 33 1 30 33 2 30 37 1 31 33 1 32 35 2 34 36 1 35 36 1', '37 39 C:113 20.39 -15.47 C:18 14.32 -7.79 C:26 15.53 -5.70 C:25 10.68 -7.06 C:18 13.12 -7.08 C:28 19.17 -14.77 C:27 17.95 -12.67 O 15.53 -15.47 O 21.59 -9.17 O 10.68 -11.27 O 13.12 -15.47 O 19.17 -7.78 O 17.95 -14.07 C:149 20.39 -14.07 C:121 16.74 -7.78 C:123 11.89 -9.16 C:101 11.89 -13.37 C:114 20.39 -11.27 C:26 16.74 -9.17 C:29 13.12 -9.87 O 15.53 -11.27 C:134 15.53 -7.10 C:132 11.89 -7.77 C:144 20.39 -9.87 C:161 11.89 -11.97 C:159 13.12 -14.07 C:142 19.17 -9.17 C:136 16.74 -13.37 C:126 17.95 -9.87 C:131 19.17 -11.97 C:148 16.74 -11.97 C:110 13.12 -11.27 C:121 17.95 -11.27 C:175 15.53 -14.07 C:155 14.32 -11.97 C:105 14.32 -13.37 C:41 19.17 -13.37 1 14 2 2 22 1 3 22 1 4 23 1 5 23 1 6 37 1 7 37 1 8 34 2 9 24 1 10 25 1 11 26 1 12 27 1 13 28 1 14 37 1 15 19 1 15 22 2 16 20 1 16 23 2 17 25 2 17 26 1 18 24 2 18 30 1 19 29 1 20 32 1 21 31 1 21 35 1 24 27 1 25 32 1 26 36 2 27 29 2 28 31 2 28 34 1 29 33 1 30 33 2 30 37 1 31 33 1 32 35 2 34 36 1 35 36 1', 'C30H34O7', 506.317, 'C', '3_439', 2688, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(10385, 'Melisimplexin', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:7001]O[c:7]4[cH:8][c:9]3o[c:2]([c:101]2[cH:106][cH:105][c:104]1O[CH2:103001]O[c:103]1[cH:102]2)[c:3](O[CH3:3001])[c:4](=O)[c:10]3[c:5](O[CH3:5001])[c:6]4O[CH3:6001]', 'COc4cc3oc(c2ccc1OCOc1c2)c(OC)c(=O)c3c(OC)c4OC', '[CH3:62]O[c:152]4[cH:97][c:157]3o[c:151]([c:124]2[cH:123][cH:108][c:149]1O[CH2:102]O[c:149]1[cH:108]2)[c:140](O[CH3:61])[c:172](=O)[c:112]3[c:152](O[CH3:59])[c:139]4O[CH3:56]', '28 31 C:7001 5.18 -4.04 C:6001 3.97 -7.52 C:3001 12.46 -9.64 O 10.04 -9.64 O 7.62 -9.64 C:106 13.68 -6.13 C:105 14.89 -5.43 C:102 12.47 -4.04 C:8 7.61 -5.43 C:103001 15.36 -1.84 O 5.18 -5.43 O 5.18 -8.23 O 12.47 -8.24 O 15.93 -3.12 O 13.97 -1.98 O 10.04 -5.43 C:101 12.47 -5.43 C:104 14.89 -4.04 C:103 13.68 -3.35 C:7 6.39 -6.13 C:5 7.61 -8.24 C:6 6.39 -7.53 C:3 11.25 -7.53 C:2 11.25 -6.13 C:4 10.04 -8.24 C:9 8.82 -6.13 C:10 8.82 -7.53 C:5001 6.41 -10.35 1 11 1 2 12 1 3 13 1 4 25 2 5 21 1 6 7 1 6 17 2 7 18 2 8 17 1 8 19 2 9 20 1 9 26 2 10 14 1 10 15 1 11 20 1 12 22 1 13 23 1 14 18 1 15 19 1 16 24 1 16 26 1 17 24 1 18 19 1 20 22 2 21 22 1 21 27 2 23 24 2 23 25 1 25 27 1 26 27 1 5 28 1', '28 31 C 5.18 -4.04 C 3.97 -7.52 C 12.46 -9.64 O 10.04 -9.64 O 7.62 -9.64 C 13.68 -6.13 C 14.89 -5.43 C 12.47 -4.04 C 7.61 -5.43 C 15.36 -1.84 O 5.18 -5.43 O 5.18 -8.23 O 12.47 -8.24 O 15.93 -3.12 O 13.97 -1.98 O 10.04 -5.43 C 12.47 -5.43 C 14.89 -4.04 C 13.68 -3.35 C 6.39 -6.13 C 7.61 -8.24 C 6.39 -7.53 C 11.25 -7.53 C 11.25 -6.13 C 10.04 -8.24 C 8.82 -6.13 C 8.82 -7.53 C 6.41 -10.35 1 11 1 2 12 1 3 13 1 4 25 2 5 21 1 6 7 1 6 17 2 7 18 2 8 17 1 8 19 2 9 20 1 9 26 2 10 14 1 10 15 1 11 20 1 12 22 1 13 23 1 14 18 1 15 19 1 16 24 1 16 26 1 17 24 1 18 19 1 20 22 2 21 22 1 21 27 2 23 24 2 23 25 1 25 27 1 26 27 1 5 28 1', '28 31 C:62 5.18 -4.04 C:56 3.97 -7.52 C:61 12.46 -9.64 O 10.04 -9.64 O 7.62 -9.64 C:123 13.68 -6.13 C:108 14.89 -5.43 C:108 12.47 -4.04 C:97 7.61 -5.43 C:102 15.36 -1.84 O 5.18 -5.43 O 5.18 -8.23 O 12.47 -8.24 O 15.93 -3.12 O 13.97 -1.98 O 10.04 -5.43 C:124 12.47 -5.43 C:149 14.89 -4.04 C:149 13.68 -3.35 C:152 6.39 -6.13 C:152 7.61 -8.24 C:139 6.39 -7.53 C:140 11.25 -7.53 C:151 11.25 -6.13 C:172 10.04 -8.24 C:157 8.82 -6.13 C:112 8.82 -7.53 C:59 6.41 -10.35 1 11 1 2 12 1 3 13 1 4 25 2 5 21 1 6 7 1 6 17 2 7 18 2 8 17 1 8 19 2 9 20 1 9 26 2 10 14 1 10 15 1 11 20 1 12 22 1 13 23 1 14 18 1 15 19 1 16 24 1 16 26 1 17 24 1 18 19 1 20 22 2 21 22 1 21 27 2 23 24 2 23 25 1 25 27 1 26 27 1 5 28 1', 'C20H18O8', 386.209, 'D', '3_480', 2652, '', '', '3', 1, NULL, NULL),
(10386, '', '', 'Flavonoids', 'Flavonoids', 'Flavonols', '[CH3:3001]O[c:3]5[c:2]([c:101]2[cH:106][cH:105][c:104]1O[CH2:103001]O[c:103]1[cH:102]2)o[c:9]4[cH:8][c:7]3O[CH2:6001]O[c:6]3[c:5](O)[c:10]4[c:4]5=O', 'COc5c(c2ccc1OCOc1c2)oc4cc3OCOc3c(O)c4c5=O', '[CH3:60]O[c:138]5[c:155]([c:124]2[cH:123][cH:108][c:150]1O[CH2:102]O[c:148]1[cH:108]2)o[c:155]4[cH:91][c:153]3O[CH2:102]O[c:129]3[c:152](O)[c:108]4[c:178]5=O', '26 30 C:3001 12.34 -10.04 O 9.92 -10.04 O 7.51 -10.04 C:106 13.56 -6.53 C:105 14.77 -5.83 C:102 12.35 -4.43 C:8 7.50 -5.83 O 12.35 -8.64 O 9.92 -5.83 C:101 12.35 -5.83 C:104 14.77 -4.43 C:103 13.56 -3.73 C:7 6.28 -6.53 C:5 7.50 -8.64 C:6 6.28 -7.93 C:3 11.13 -7.93 C:2 11.13 -6.53 C:4 9.92 -8.64 C:9 8.71 -6.53 C:10 8.71 -7.93 O 4.95 -6.10 C:6001 4.13 -7.23 O 4.95 -8.36 O 15.81 -3.50 C:103001 15.24 -2.22 O 13.85 -2.36 1 8 1 2 18 2 3 14 1 4 5 1 4 10 2 5 11 2 6 10 1 6 12 2 7 13 1 7 19 2 8 16 1 9 17 1 9 19 1 10 17 1 11 12 1 13 15 2 14 15 1 14 20 2 16 17 2 16 18 1 18 20 1 19 20 1 21 22 1 22 23 1 15 23 1 13 21 1 24 25 1 25 26 1 12 26 1 11 24 1', '26 30 C 12.34 -10.04 O 9.92 -10.04 O 7.51 -10.04 C 13.56 -6.53 C 14.77 -5.83 C 12.35 -4.43 C 7.50 -5.83 O 12.35 -8.64 O 9.92 -5.83 C 12.35 -5.83 C 14.77 -4.43 C 13.56 -3.73 C 6.28 -6.53 C 7.50 -8.64 C 6.28 -7.93 C 11.13 -7.93 C 11.13 -6.53 C 9.92 -8.64 C 8.71 -6.53 C 8.71 -7.93 O 4.95 -6.10 C 4.13 -7.23 O 4.95 -8.36 O 15.81 -3.50 C 15.24 -2.22 O 13.85 -2.36 1 8 1 2 18 2 3 14 1 4 5 1 4 10 2 5 11 2 6 10 1 6 12 2 7 13 1 7 19 2 8 16 1 9 17 1 9 19 1 10 17 1 11 12 1 13 15 2 14 15 1 14 20 2 16 17 2 16 18 1 18 20 1 19 20 1 21 22 1 22 23 1 15 23 1 13 21 1 24 25 1 25 26 1 12 26 1 11 24 1', '26 30 C:60 12.34 -10.04 O 9.92 -10.04 O 7.51 -10.04 C:123 13.56 -6.53 C:108 14.77 -5.83 C:108 12.35 -4.43 C:91 7.50 -5.83 O 12.35 -8.64 O 9.92 -5.83 C:124 12.35 -5.83 C:150 14.77 -4.43 C:148 13.56 -3.73 C:153 6.28 -6.53 C:152 7.50 -8.64 C:129 6.28 -7.93 C:138 11.13 -7.93 C:155 11.13 -6.53 C:178 9.92 -8.64 C:155 8.71 -6.53 C:108 8.71 -7.93 O 4.95 -6.10 C:102 4.13 -7.23 O 4.95 -8.36 O 15.81 -3.50 C:102 15.24 -2.22 O 13.85 -2.36 1 8 1 2 18 2 3 14 1 4 5 1 4 10 2 5 11 2 6 10 1 6 12 2 7 13 1 7 19 2 8 16 1 9 17 1 9 19 1 10 17 1 11 12 1 13 15 2 14 15 1 14 20 2 16 17 2 16 18 1 18 20 1 19 20 1 21 22 1 22 23 1 15 23 1 13 21 1 24 25 1 25 26 1 12 26 1 11 24 1', 'C18H12O8', 356.188, 'D', '3_481', 2652, '', '', '3', 1, NULL, NULL),
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(10400, '5-O-Methylalpinumisoflavone', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:5001]O[c:5]3[c:6]1[CH:204]=[CH:203][C:202]([CH3:205])([CH3:206])O[c:7]1[cH:8][c:9]4o[cH:2][c:3]([c:101]2[cH:102][cH:103][c:104](O)[cH:105][cH:106]2)[c:4](=O)[c:10]34', 'COc3c1C=CC(C)(C)Oc1cc4occ(c2ccc(O)cc2)c(=O)c34', '[CH3:63]O[c:156]3[c:113]1[CH:116]=[CH:131][C:78]([CH3:28])([CH3:28])O[c:158]1[cH:101][c:159]4o[cH:151][c:126]([c:124]2[cH:131][cH:116][c:156](O)[cH:116][cH:131]2)[c:176](=O)[c:113]34', '26 29 C:5001 13.18 -13.26 C:205 10.06 -7.86 C:206 9.36 -9.07 O 16.82 -12.56 O 22.90 -13.27 C:204 11.97 -11.16 C:203 10.76 -10.46 C:103 21.67 -11.16 C:105 20.46 -13.27 C:102 20.46 -10.46 C:106 19.26 -12.56 C:2 18.06 -9.07 C:8 14.39 -8.37 O 14.39 -12.56 O 11.97 -8.37 O 16.82 -8.37 C:104 21.67 -12.56 C:101 19.26 -11.16 C:6 13.18 -10.46 C:7 13.18 -9.07 C:3 18.06 -10.46 C:5 14.39 -11.16 C:4 16.82 -11.16 C:9 15.64 -9.07 C:10 15.64 -10.46 C:202 10.76 -9.07 1 14 1 2 26 1 3 26 1 4 23 2 5 17 1 6 7 2 6 19 1 7 26 1 8 10 2 8 17 1 9 11 1 9 17 2 10 18 1 11 18 2 12 16 1 12 21 2 13 20 2 13 24 1 14 22 1 15 20 1 15 26 1 16 24 1 18 21 1 19 20 1 19 22 2 21 23 1 22 25 1 23 25 1 24 25 2', '26 29 C 13.18 -13.26 C 10.06 -7.86 C 9.36 -9.07 O 16.82 -12.56 O 22.90 -13.27 C 11.97 -11.16 C 10.76 -10.46 C 21.67 -11.16 C 20.46 -13.27 C 20.46 -10.46 C 19.26 -12.56 C 18.06 -9.07 C 14.39 -8.37 O 14.39 -12.56 O 11.97 -8.37 O 16.82 -8.37 C 21.67 -12.56 C 19.26 -11.16 C 13.18 -10.46 C 13.18 -9.07 C 18.06 -10.46 C 14.39 -11.16 C 16.82 -11.16 C 15.64 -9.07 C 15.64 -10.46 C 10.76 -9.07 1 14 1 2 26 1 3 26 1 4 23 2 5 17 1 6 7 2 6 19 1 7 26 1 8 10 2 8 17 1 9 11 1 9 17 2 10 18 1 11 18 2 12 16 1 12 21 2 13 20 2 13 24 1 14 22 1 15 20 1 15 26 1 16 24 1 18 21 1 19 20 1 19 22 2 21 23 1 22 25 1 23 25 1 24 25 2', '26 29 C:63 13.18 -13.26 C:28 10.06 -7.86 C:28 9.36 -9.07 O 16.82 -12.56 O 22.90 -13.27 C:116 11.97 -11.16 C:131 10.76 -10.46 C:116 21.67 -11.16 C:116 20.46 -13.27 C:131 20.46 -10.46 C:131 19.26 -12.56 C:151 18.06 -9.07 C:101 14.39 -8.37 O 14.39 -12.56 O 11.97 -8.37 O 16.82 -8.37 C:156 21.67 -12.56 C:124 19.26 -11.16 C:113 13.18 -10.46 C:158 13.18 -9.07 C:126 18.06 -10.46 C:156 14.39 -11.16 C:176 16.82 -11.16 C:159 15.64 -9.07 C:113 15.64 -10.46 C:78 10.76 -9.07 1 14 1 2 26 1 3 26 1 4 23 2 5 17 1 6 7 2 6 19 1 7 26 1 8 10 2 8 17 1 9 11 1 9 17 2 10 18 1 11 18 2 12 16 1 12 21 2 13 20 2 13 24 1 14 22 1 15 20 1 15 26 1 16 24 1 18 21 1 19 20 1 19 22 2 21 23 1 22 25 1 23 25 1 24 25 2', 'C21H18O5', 350.222, 'C', 'ph51_937_11', 2698, '', 'Identico a ph53_981_2', '1', 1, NULL, NULL),
(10401, 'Erysenegalensein N', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH2:205]=[C:203]([CH3:204])[CH:202](O)[CH2:201][c:6]3[c:7](O)[c:8]([CH2:301][CH:302]=[C:303]([CH3:305])[CH3:304])[c:9]2o[cH:2][c:3]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O)[c:4](=O)[c:10]2[c:5]3O', 'C=C(C)C(O)Cc3c(O)c(CC=C(C)C)c2occ(c1ccc(O)cc1O)c(=O)c2c3O', '[CH2:110]=[C:147]([CH3:18])[CH:75](O)[CH2:29][c:109]3[c:162](O)[c:106]([CH2:21][CH:123]=[C:131]([CH3:18])[CH3:25])[c:153]2o[cH:155][c:120]([c:109]1[cH:132][cH:106][c:158](O)[cH:103][c:156]1O)[c:181](=O)[c:104]2[c:157]3O', '32 34 C:205 9.46 -13.76 C:305 14.29 -5.33 C:304 16.69 -5.33 C:204 10.68 -15.87 O 16.69 -13.76 O 22.78 -14.46 O 20.33 -10.26 O 11.89 -9.56 O 14.29 -13.76 O 13.10 -14.45 C:302 15.52 -7.43 C:105 20.33 -14.46 C:106 19.13 -13.76 C:2 17.93 -10.26 C:103 21.55 -12.36 C:301 14.29 -8.14 C:201 11.89 -12.36 O 16.69 -9.56 C:303 15.52 -6.03 C:203 10.68 -14.46 C:104 21.55 -13.76 C:102 20.33 -11.66 C:7 13.10 -10.26 C:5 14.29 -12.36 C:101 19.13 -12.36 C:3 17.93 -11.66 C:6 13.10 -11.66 C:8 14.29 -9.56 C:4 16.69 -12.36 C:9 15.52 -10.26 C:10 15.52 -11.66 C:202 11.89 -13.76 1 20 2 2 19 1 3 19 1 4 20 1 5 29 2 6 21 1 7 22 1 8 23 1 9 24 1 10 32 1 11 16 1 11 19 2 12 13 1 12 21 2 13 25 2 14 18 1 14 26 2 15 21 1 15 22 2 16 28 1 17 27 1 17 32 1 18 30 1 20 32 1 22 25 1 23 27 1 23 28 2 24 27 2 24 31 1 25 26 1 26 29 1 28 30 1 29 31 1 30 31 2', '32 34 C 9.46 -13.76 C 14.29 -5.33 C 16.69 -5.33 C 10.68 -15.87 O 16.69 -13.76 O 22.78 -14.46 O 20.33 -10.26 O 11.89 -9.56 O 14.29 -13.76 O 13.10 -14.45 C 15.52 -7.43 C 20.33 -14.46 C 19.13 -13.76 C 17.93 -10.26 C 21.55 -12.36 C 14.29 -8.14 C 11.89 -12.36 O 16.69 -9.56 C 15.52 -6.03 C 10.68 -14.46 C 21.55 -13.76 C 20.33 -11.66 C 13.10 -10.26 C 14.29 -12.36 C 19.13 -12.36 C 17.93 -11.66 C 13.10 -11.66 C 14.29 -9.56 C 16.69 -12.36 C 15.52 -10.26 C 15.52 -11.66 C 11.89 -13.76 1 20 2 2 19 1 3 19 1 4 20 1 5 29 2 6 21 1 7 22 1 8 23 1 9 24 1 10 32 1 11 16 1 11 19 2 12 13 1 12 21 2 13 25 2 14 18 1 14 26 2 15 21 1 15 22 2 16 28 1 17 27 1 17 32 1 18 30 1 20 32 1 22 25 1 23 27 1 23 28 2 24 27 2 24 31 1 25 26 1 26 29 1 28 30 1 29 31 1 30 31 2', '32 34 C:110 9.46 -13.76 C:18 14.29 -5.33 C:25 16.69 -5.33 C:18 10.68 -15.87 O 16.69 -13.76 O 22.78 -14.46 O 20.33 -10.26 O 11.89 -9.56 O 14.29 -13.76 O 13.10 -14.45 C:123 15.52 -7.43 C:106 20.33 -14.46 C:132 19.13 -13.76 C:155 17.93 -10.26 C:103 21.55 -12.36 C:21 14.29 -8.14 C:29 11.89 -12.36 O 16.69 -9.56 C:131 15.52 -6.03 C:147 10.68 -14.46 C:158 21.55 -13.76 C:156 20.33 -11.66 C:162 13.10 -10.26 C:157 14.29 -12.36 C:109 19.13 -12.36 C:120 17.93 -11.66 C:109 13.10 -11.66 C:106 14.29 -9.56 C:181 16.69 -12.36 C:153 15.52 -10.26 C:104 15.52 -11.66 C:75 11.89 -13.76 1 20 2 2 19 1 3 19 1 4 20 1 5 29 2 6 21 1 7 22 1 8 23 1 9 24 1 10 32 1 11 16 1 11 19 2 12 13 1 12 21 2 13 25 2 14 18 1 14 26 2 15 21 1 15 22 2 16 28 1 17 27 1 17 32 1 18 30 1 20 32 1 22 25 1 23 27 1 23 28 2 24 27 2 24 31 1 25 26 1 26 29 1 28 30 1 29 31 1 30 31 2', 'C25H26O7', 438.263, 'D', 'ph51_1147_1', 2699, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(10402, 'Erysenegalensein O', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:205][C:203]([CH3:204])=[CH:202][CH2:201][c:6]3[c:5](O)[c:10]2[c:4](=O)[c:3]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O)[cH:2]o[c:9]2[c:8]4[CH2:304][CH:303](O)[C:302]([CH3:306])([CH3:305])O[c:7]34', 'CC(C)=CCc3c(O)c2c(=O)c(c1ccc(O)cc1O)coc2c4CC(O)C(C)(C)Oc34', '[CH3:18][C:131]([CH3:25])=[CH:122][CH2:21][c:111]3[c:156](O)[c:105]2[c:181](=O)[c:120]([c:109]1[cH:132][cH:106][c:159](O)[cH:103][c:156]1O)[cH:155]o[c:153]2[c:99]4[CH2:25][CH:67](O)[C:79]([CH3:21])([CH3:26])O[c:156]34', '32 35 C:205 9.46 -13.37 C:204 10.68 -15.48 C:306 10.47 -7.80 C:305 11.16 -6.58 O 16.70 -13.37 O 22.80 -14.07 O 20.34 -9.87 O 14.29 -13.37 O 13.10 -5.68 C:202 11.89 -13.37 C:105 20.34 -14.07 C:106 19.14 -13.37 C:2 17.94 -9.87 C:103 21.56 -11.97 C:201 11.89 -11.97 C:304 14.29 -7.79 O 11.89 -9.19 O 16.70 -9.17 C:203 10.68 -14.07 C:104 21.56 -13.37 C:102 20.34 -11.27 C:5 14.29 -11.97 C:101 19.14 -11.97 C:3 17.94 -11.27 C:6 13.10 -11.27 C:8 14.29 -9.19 C:7 13.10 -9.87 C:4 16.70 -11.97 C:9 15.53 -9.87 C:10 15.53 -11.27 C:303 13.10 -7.08 C:302 11.89 -7.80 1 19 1 2 19 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 22 1 9 31 1 10 15 1 10 19 2 11 12 1 11 20 2 12 23 2 13 18 1 13 24 2 14 20 1 14 21 2 15 25 1 16 26 1 16 31 1 17 27 1 17 32 1 18 29 1 21 23 1 22 25 2 22 30 1 23 24 1 24 28 1 25 27 1 26 27 2 26 29 1 28 30 1 29 30 2 31 32 1', '32 35 C 9.46 -13.37 C 10.68 -15.48 C 10.47 -7.80 C 11.16 -6.58 O 16.70 -13.37 O 22.80 -14.07 O 20.34 -9.87 O 14.29 -13.37 O 13.10 -5.68 C 11.89 -13.37 C 20.34 -14.07 C 19.14 -13.37 C 17.94 -9.87 C 21.56 -11.97 C 11.89 -11.97 C 14.29 -7.79 O 11.89 -9.19 O 16.70 -9.17 C 10.68 -14.07 C 21.56 -13.37 C 20.34 -11.27 C 14.29 -11.97 C 19.14 -11.97 C 17.94 -11.27 C 13.10 -11.27 C 14.29 -9.19 C 13.10 -9.87 C 16.70 -11.97 C 15.53 -9.87 C 15.53 -11.27 C 13.10 -7.08 C 11.89 -7.80 1 19 1 2 19 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 22 1 9 31 1 10 15 1 10 19 2 11 12 1 11 20 2 12 23 2 13 18 1 13 24 2 14 20 1 14 21 2 15 25 1 16 26 1 16 31 1 17 27 1 17 32 1 18 29 1 21 23 1 22 25 2 22 30 1 23 24 1 24 28 1 25 27 1 26 27 2 26 29 1 28 30 1 29 30 2 31 32 1', '32 35 C:18 9.46 -13.37 C:25 10.68 -15.48 C:21 10.47 -7.80 C:26 11.16 -6.58 O 16.70 -13.37 O 22.80 -14.07 O 20.34 -9.87 O 14.29 -13.37 O 13.10 -5.68 C:122 11.89 -13.37 C:106 20.34 -14.07 C:132 19.14 -13.37 C:155 17.94 -9.87 C:103 21.56 -11.97 C:21 11.89 -11.97 C:25 14.29 -7.79 O 11.89 -9.19 O 16.70 -9.17 C:131 10.68 -14.07 C:159 21.56 -13.37 C:156 20.34 -11.27 C:156 14.29 -11.97 C:109 19.14 -11.97 C:120 17.94 -11.27 C:111 13.10 -11.27 C:99 14.29 -9.19 C:156 13.10 -9.87 C:181 16.70 -11.97 C:153 15.53 -9.87 C:105 15.53 -11.27 C:67 13.10 -7.08 C:79 11.89 -7.80 1 19 1 2 19 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 22 1 9 31 1 10 15 1 10 19 2 11 12 1 11 20 2 12 23 2 13 18 1 13 24 2 14 20 1 14 21 2 15 25 1 16 26 1 16 31 1 17 27 1 17 32 1 18 29 1 21 23 1 22 25 2 22 30 1 23 24 1 24 28 1 25 27 1 26 27 2 26 29 1 28 30 1 29 30 2 31 32 1', 'C25H26O7', 438.263, 'D', 'ph51_1147_2', 2699, '', '', '1', 1, NULL, NULL),
(10403, '', '6-Hydroxy-7,2'',4'',5''-tetramethoxyisoflavones', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:7001]O[c:7]3[cH:8][c:9]2o[cH:2][c:3]([c:101]1[cH:106][c:105](O[CH3:105001])[c:104](O[CH3:104001])[cH:103][c:102]1O[CH3:102001])[c:4](=O)[c:10]2[cH:5][c:6]3O', 'COc3cc2occ(c1cc(OC)c(OC)cc1OC)c(=O)c2cc3O', '[CH3:58]O[c:166]3[cH:96][c:160]2o[cH:156][c:125]([c:113]1[cH:118][c:145](O[CH3:57])[c:152](O[CH3:57])[cH:100][c:154]1O[CH3:58])[c:183](=O)[c:106]2[cH:100][c:165]3O', '26 28 C:7001 10.69 -6.40 C:104001 21.58 -14.11 C:105001 17.93 -14.80 C:102001 20.36 -7.80 O 15.52 -12.00 O 10.69 -10.61 C:2 16.75 -8.50 C:103 20.36 -10.61 C:106 17.93 -12.00 C:5 13.10 -10.61 C:8 13.10 -7.80 O 10.69 -7.80 O 21.58 -12.71 O 19.14 -14.11 O 19.14 -8.50 O 15.52 -7.80 C:6 11.89 -9.91 C:7 11.89 -8.50 C:104 20.36 -12.00 C:105 19.14 -12.71 C:102 19.14 -9.91 C:101 17.93 -10.61 C:3 16.75 -9.91 C:4 15.52 -10.61 C:9 14.34 -8.50 C:10 14.34 -9.91 1 12 1 2 13 1 3 14 1 4 15 1 5 24 2 6 17 1 7 16 1 7 23 2 8 19 1 8 21 2 9 20 1 9 22 2 10 17 2 10 26 1 11 18 2 11 25 1 12 18 1 13 19 1 14 20 1 15 21 1 16 25 1 17 18 1 19 20 2 21 22 1 22 23 1 23 24 1 24 26 1 25 26 2', '26 28 C 10.69 -6.40 C 21.58 -14.11 C 17.93 -14.80 C 20.36 -7.80 O 15.52 -12.00 O 10.69 -10.61 C 16.75 -8.50 C 20.36 -10.61 C 17.93 -12.00 C 13.10 -10.61 C 13.10 -7.80 O 10.69 -7.80 O 21.58 -12.71 O 19.14 -14.11 O 19.14 -8.50 O 15.52 -7.80 C 11.89 -9.91 C 11.89 -8.50 C 20.36 -12.00 C 19.14 -12.71 C 19.14 -9.91 C 17.93 -10.61 C 16.75 -9.91 C 15.52 -10.61 C 14.34 -8.50 C 14.34 -9.91 1 12 1 2 13 1 3 14 1 4 15 1 5 24 2 6 17 1 7 16 1 7 23 2 8 19 1 8 21 2 9 20 1 9 22 2 10 17 2 10 26 1 11 18 2 11 25 1 12 18 1 13 19 1 14 20 1 15 21 1 16 25 1 17 18 1 19 20 2 21 22 1 22 23 1 23 24 1 24 26 1 25 26 2', '26 28 C:58 10.69 -6.40 C:57 21.58 -14.11 C:57 17.93 -14.80 C:58 20.36 -7.80 O 15.52 -12.00 O 10.69 -10.61 C:156 16.75 -8.50 C:100 20.36 -10.61 C:118 17.93 -12.00 C:100 13.10 -10.61 C:96 13.10 -7.80 O 10.69 -7.80 O 21.58 -12.71 O 19.14 -14.11 O 19.14 -8.50 O 15.52 -7.80 C:165 11.89 -9.91 C:166 11.89 -8.50 C:152 20.36 -12.00 C:145 19.14 -12.71 C:154 19.14 -9.91 C:113 17.93 -10.61 C:125 16.75 -9.91 C:183 15.52 -10.61 C:160 14.34 -8.50 C:106 14.34 -9.91 1 12 1 2 13 1 3 14 1 4 15 1 5 24 2 6 17 1 7 16 1 7 23 2 8 19 1 8 21 2 9 20 1 9 22 2 10 17 2 10 26 1 11 18 2 11 25 1 12 18 1 13 19 1 14 20 1 15 21 1 16 25 1 17 18 1 19 20 2 21 22 1 22 23 1 23 24 1 24 26 1 25 26 2', 'C19H18O7', 358.199, 'D', 'ph53_605_1', 2700, 'Signals C-5 and C-6 interchanged', '', '1', 1, NULL, NULL),
(10404, 'Indicanine B', '', 'Chromans', 'Coumarins', 'Pyranocoumarins', '[CH3:5001]O[c:5]3[c:6]1[CH:204]=[CH:203][C:202]([CH3:205])([CH3:206])O[c:7]1[cH:8][c:9]4o[c:2](=O)[c:3]([c:101]2[cH:102][cH:103][c:104](O)[cH:105][cH:106]2)[c:4](O)[c:10]34', 'COc3c1C=CC(C)(C)Oc1cc4oc(=O)c(c2ccc(O)cc2)c(O)c34', '[CH3:64]O[c:156]3[c:110]1[CH:115]=[CH:131][C:78]([CH3:28])([CH3:28])O[c:156]1[cH:100][c:153]4o[c:160](=O)[c:103]([c:122]2[cH:132][cH:115][c:153](O)[cH:115][cH:132]2)[c:162](O)[c:103]34', '27 30 C:5001 13.13 -13.27 C:205 10.03 -7.87 C:206 9.34 -9.08 O 19.22 -8.38 O 22.86 -13.27 O 16.78 -12.59 C:204 11.94 -11.18 C:203 10.73 -10.47 C:103 21.63 -11.18 C:105 20.42 -13.27 C:102 20.42 -10.47 C:106 19.22 -12.59 C:8 14.35 -8.38 O 14.35 -12.59 O 11.94 -8.38 O 16.78 -8.38 C:104 21.63 -12.59 C:101 19.22 -11.18 C:6 13.13 -10.47 C:7 13.13 -9.08 C:4 16.78 -11.18 C:5 14.35 -11.18 C:3 18.02 -10.47 C:2 18.02 -9.08 C:9 15.61 -9.08 C:10 15.61 -10.47 C:202 10.73 -9.08 1 14 1 2 27 1 3 27 1 4 24 2 5 17 1 6 21 1 7 8 2 7 19 1 8 27 1 9 11 2 9 17 1 10 12 1 10 17 2 11 18 1 12 18 2 13 20 2 13 25 1 14 22 1 15 20 1 15 27 1 16 24 1 16 25 1 18 23 1 19 20 1 19 22 2 21 23 2 21 26 1 22 26 1 23 24 1 25 26 2', '27 30 C 13.13 -13.27 C 10.03 -7.87 C 9.34 -9.08 O 19.22 -8.38 O 22.86 -13.27 O 16.78 -12.59 C 11.94 -11.18 C 10.73 -10.47 C 21.63 -11.18 C 20.42 -13.27 C 20.42 -10.47 C 19.22 -12.59 C 14.35 -8.38 O 14.35 -12.59 O 11.94 -8.38 O 16.78 -8.38 C 21.63 -12.59 C 19.22 -11.18 C 13.13 -10.47 C 13.13 -9.08 C 16.78 -11.18 C 14.35 -11.18 C 18.02 -10.47 C 18.02 -9.08 C 15.61 -9.08 C 15.61 -10.47 C 10.73 -9.08 1 14 1 2 27 1 3 27 1 4 24 2 5 17 1 6 21 1 7 8 2 7 19 1 8 27 1 9 11 2 9 17 1 10 12 1 10 17 2 11 18 1 12 18 2 13 20 2 13 25 1 14 22 1 15 20 1 15 27 1 16 24 1 16 25 1 18 23 1 19 20 1 19 22 2 21 23 2 21 26 1 22 26 1 23 24 1 25 26 2', '27 30 C:64 13.13 -13.27 C:28 10.03 -7.87 C:28 9.34 -9.08 O 19.22 -8.38 O 22.86 -13.27 O 16.78 -12.59 C:115 11.94 -11.18 C:131 10.73 -10.47 C:115 21.63 -11.18 C:115 20.42 -13.27 C:132 20.42 -10.47 C:132 19.22 -12.59 C:100 14.35 -8.38 O 14.35 -12.59 O 11.94 -8.38 O 16.78 -8.38 C:153 21.63 -12.59 C:122 19.22 -11.18 C:110 13.13 -10.47 C:156 13.13 -9.08 C:162 16.78 -11.18 C:156 14.35 -11.18 C:103 18.02 -10.47 C:160 18.02 -9.08 C:153 15.61 -9.08 C:103 15.61 -10.47 C:78 10.73 -9.08 1 14 1 2 27 1 3 27 1 4 24 2 5 17 1 6 21 1 7 8 2 7 19 1 8 27 1 9 11 2 9 17 1 10 12 1 10 17 2 11 18 1 12 18 2 13 20 2 13 25 1 14 22 1 15 20 1 15 27 1 16 24 1 16 25 1 18 23 1 19 20 1 19 22 2 21 23 2 21 26 1 22 26 1 23 24 1 25 26 2', 'C21H18O6', 366.221, 'D', 'ph53_981_1', 2701, '', '', '1', 1, NULL, NULL),
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(10417, 'Burttinol C', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavenes', '[CH3:102001]O[c:102]1[cH:103][c:104](O)[cH:105][cH:106][c:101]1[C:3]3=[CH:4][c:10]2[cH:5][cH:6][c:7](O)[c:8]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:9]2O[CH2:2]3', 'COc1cc(O)ccc1C3=Cc2ccc(O)c(CC=C(C)C)c2OC3', '[CH3:55]O[c:158]1[cH:99][c:157](O)[cH:107][cH:129][c:121]1[C:129]3=[CH:122][c:117]2[cH:125][cH:109][c:155](O)[c:114]([CH2:22][CH:122]=[C:135]([CH3:26])[CH3:18])[c:152]2O[CH2:68]3', '25 27 C:102001 20.36 -10.25 C:205 10.65 -6.09 C:204 13.07 -6.05 O 21.57 -15.15 O 10.65 -10.25 C:202 11.86 -8.16 C:4 15.52 -13.05 C:105 19.15 -15.15 C:6 11.86 -12.35 C:5 13.07 -13.05 C:106 17.95 -14.45 C:103 20.36 -13.05 C:201 13.05 -8.84 C:2 16.75 -10.95 O 19.15 -10.95 O 15.52 -10.25 C:203 11.86 -6.76 C:3 16.75 -12.35 C:104 20.36 -14.45 C:7 11.86 -10.95 C:10 14.31 -12.35 C:102 19.15 -12.35 C:101 17.95 -13.05 C:8 13.07 -10.25 C:9 14.31 -10.95 1 15 1 2 17 1 3 17 1 4 19 1 5 20 1 6 13 1 6 17 2 7 18 2 7 21 1 8 11 1 8 19 2 9 10 2 9 20 1 10 21 1 11 23 2 12 19 1 12 22 2 13 24 1 14 16 1 14 18 1 15 22 1 16 25 1 18 23 1 20 24 2 21 25 2 22 23 1 24 25 1', '25 27 C 20.36 -10.25 C 10.65 -6.09 C 13.07 -6.05 O 21.57 -15.15 O 10.65 -10.25 C 11.86 -8.16 C 15.52 -13.05 C 19.15 -15.15 C 11.86 -12.35 C 13.07 -13.05 C 17.95 -14.45 C 20.36 -13.05 C 13.05 -8.84 C 16.75 -10.95 O 19.15 -10.95 O 15.52 -10.25 C 11.86 -6.76 C 16.75 -12.35 C 20.36 -14.45 C 11.86 -10.95 C 14.31 -12.35 C 19.15 -12.35 C 17.95 -13.05 C 13.07 -10.25 C 14.31 -10.95 1 15 1 2 17 1 3 17 1 4 19 1 5 20 1 6 13 1 6 17 2 7 18 2 7 21 1 8 11 1 8 19 2 9 10 2 9 20 1 10 21 1 11 23 2 12 19 1 12 22 2 13 24 1 14 16 1 14 18 1 15 22 1 16 25 1 18 23 1 20 24 2 21 25 2 22 23 1 24 25 1', '25 27 C:55 20.36 -10.25 C:26 10.65 -6.09 C:18 13.07 -6.05 O 21.57 -15.15 O 10.65 -10.25 C:122 11.86 -8.16 C:122 15.52 -13.05 C:107 19.15 -15.15 C:109 11.86 -12.35 C:125 13.07 -13.05 C:129 17.95 -14.45 C:99 20.36 -13.05 C:22 13.05 -8.84 C:68 16.75 -10.95 O 19.15 -10.95 O 15.52 -10.25 C:135 11.86 -6.76 C:129 16.75 -12.35 C:157 20.36 -14.45 C:155 11.86 -10.95 C:117 14.31 -12.35 C:158 19.15 -12.35 C:121 17.95 -13.05 C:114 13.07 -10.25 C:152 14.31 -10.95 1 15 1 2 17 1 3 17 1 4 19 1 5 20 1 6 13 1 6 17 2 7 18 2 7 21 1 8 11 1 8 19 2 9 10 2 9 20 1 10 21 1 11 23 2 12 19 1 12 22 2 13 24 1 14 16 1 14 18 1 15 22 1 16 25 1 18 23 1 20 24 2 21 25 2 22 23 1 24 25 1', 'C21H22O4', 338.222, 'C', 'ph59_337_3', 2705, '', '', '1', 1, NULL, NULL),
(10418, 'Burttinol D', '', 'Aromatics', 'Stilbenes', 'Benzofuranoids', '[CH2:5003]=[CH:5002][C:5001]([CH3:5101])([CH3:5102])[c:5]3[cH:4][c:9]2[cH:3][c:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O[CH3:102001])o[c:8]2[cH:7][c:6]3O', 'C=CC(C)(C)c3cc2cc(c1ccc(O)cc1OC)oc2cc3O', '[CH2:114]=[CH:148][C:40]([CH3:27])([CH3:27])[c:128]3[cH:117][c:113]2[cH:100][c:154]([c:123]1[cH:128][cH:107][c:157](O)[cH:99][c:158]1O[CH3:9999])o[c:152]2[cH:104][c:152]3O', '24 26 C:5003 9.22 -12.61 C:102001 19.55 -7.59 C:5101 10.65 -13.60 C:5102 12.63 -13.60 O 23.05 -11.23 O 11.65 -9.83 C:5002 10.45 -11.92 C:105 20.95 -12.45 C:106 19.55 -12.45 C:103 20.95 -10.01 C:7 14.08 -9.83 C:3 16.62 -12.36 C:4 14.08 -12.61 O 18.85 -8.80 O 16.62 -10.09 C:104 21.65 -11.23 C:6 12.87 -10.53 C:102 19.55 -10.01 C:2 17.45 -11.23 C:101 18.85 -11.23 C:5 12.87 -11.92 C:9 15.29 -11.92 C:8 15.29 -10.53 C:5001 11.65 -12.61 1 7 2 2 14 1 3 24 1 4 24 1 5 16 1 6 17 1 7 24 1 8 9 1 8 16 2 9 20 2 10 16 1 10 18 2 11 17 2 11 23 1 12 19 2 12 22 1 13 21 2 13 22 1 14 18 1 15 19 1 15 23 1 17 21 1 18 20 1 19 20 1 21 24 1 22 23 2', '24 26 C 9.22 -12.61 C 19.55 -7.59 C 10.65 -13.60 C 12.63 -13.60 O 23.05 -11.23 O 11.65 -9.83 C 10.45 -11.92 C 20.95 -12.45 C 19.55 -12.45 C 20.95 -10.01 C 14.08 -9.83 C 16.62 -12.36 C 14.08 -12.61 O 18.85 -8.80 O 16.62 -10.09 C 21.65 -11.23 C 12.87 -10.53 C 19.55 -10.01 C 17.45 -11.23 C 18.85 -11.23 C 12.87 -11.92 C 15.29 -11.92 C 15.29 -10.53 C 11.65 -12.61 1 7 2 2 14 1 3 24 1 4 24 1 5 16 1 6 17 1 7 24 1 8 9 1 8 16 2 9 20 2 10 16 1 10 18 2 11 17 2 11 23 1 12 19 2 12 22 1 13 21 2 13 22 1 14 18 1 15 19 1 15 23 1 17 21 1 18 20 1 19 20 1 21 24 1 22 23 2', '24 26 C:114 9.22 -12.61 C 19.55 -7.59 C:27 10.65 -13.60 C:27 12.63 -13.60 O 23.05 -11.23 O 11.65 -9.83 C:148 10.45 -11.92 C:107 20.95 -12.45 C:128 19.55 -12.45 C:99 20.95 -10.01 C:104 14.08 -9.83 C:100 16.62 -12.36 C:117 14.08 -12.61 O 18.85 -8.80 O 16.62 -10.09 C:157 21.65 -11.23 C:152 12.87 -10.53 C:158 19.55 -10.01 C:154 17.45 -11.23 C:123 18.85 -11.23 C:128 12.87 -11.92 C:113 15.29 -11.92 C:152 15.29 -10.53 C:40 11.65 -12.61 1 7 2 2 14 1 3 24 1 4 24 1 5 16 1 6 17 1 7 24 1 8 9 1 8 16 2 9 20 2 10 16 1 10 18 2 11 17 2 11 23 1 12 19 2 12 22 1 13 21 2 13 22 1 14 18 1 15 19 1 15 23 1 17 21 1 18 20 1 19 20 1 21 24 1 22 23 2', 'C20H20O4', 324.212, 'C', 'ph59_337_4', 2705, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(10420, '', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:102001]O[c:102]1[cH:103][c:104](O[C:104001]([CH3:104002])=O)[c:105](O[C:105001]([CH3:105002])=O)[cH:106][c:101]1[c:3]3[cH:2]o[c:9]2[cH:8][c:7](O[C:7001]([CH3:7002])=O)[cH:6][cH:5][c:10]2[c:4]3=O', 'COc1cc(OC(C)=O)c(OC(C)=O)cc1c3coc2cc(OC(C)=O)ccc2c3=O', '[CH3:57]O[c:152]1[cH:108][c:148](O[C:169]([CH3:21])=O)[c:138](O[C:169]([CH3:21])=O)[cH:125][c:117]1[c:122]3[cH:155]o[c:157]2[cH:111][c:155](O[C:169]([CH3:21])=O)[cH:120][cH:128][c:122]2[c:175]3=O', '31 33 C:102001 20.37 -7.47 C:7002 9.51 -5.34 C:104002 22.80 -14.47 C:105002 17.92 -15.87 O 11.91 -5.34 O 20.37 -14.47 O 16.71 -13.78 O 15.53 -11.68 C:6 11.91 -9.58 C:5 13.11 -10.28 C:2 16.71 -8.16 C:103 20.37 -10.28 C:106 17.92 -11.68 C:8 13.11 -7.47 O 19.14 -8.16 O 10.70 -7.45 O 21.58 -12.39 O 19.14 -13.78 O 15.53 -7.47 C:7001 10.70 -6.05 C:104001 21.58 -13.78 C:105001 17.92 -14.47 C:7 11.91 -8.16 C:104 20.37 -11.68 C:105 19.14 -12.39 C:102 19.14 -9.58 C:101 17.92 -10.28 C:3 16.71 -9.58 C:4 15.53 -10.28 C:9 14.32 -8.16 C:10 14.32 -9.58 1 15 1 2 20 1 3 21 1 4 22 1 5 20 2 6 21 2 7 22 2 8 29 2 9 10 2 9 23 1 10 31 1 11 19 1 11 28 2 12 24 1 12 26 2 13 25 1 13 27 2 14 23 2 14 30 1 15 26 1 16 20 1 16 23 1 17 21 1 17 24 1 18 22 1 18 25 1 19 30 1 24 25 2 26 27 1 27 28 1 28 29 1 29 31 1 30 31 2', '31 33 C 20.37 -7.47 C 9.51 -5.34 C 22.80 -14.47 C 17.92 -15.87 O 11.91 -5.34 O 20.37 -14.47 O 16.71 -13.78 O 15.53 -11.68 C 11.91 -9.58 C 13.11 -10.28 C 16.71 -8.16 C 20.37 -10.28 C 17.92 -11.68 C 13.11 -7.47 O 19.14 -8.16 O 10.70 -7.45 O 21.58 -12.39 O 19.14 -13.78 O 15.53 -7.47 C 10.70 -6.05 C 21.58 -13.78 C 17.92 -14.47 C 11.91 -8.16 C 20.37 -11.68 C 19.14 -12.39 C 19.14 -9.58 C 17.92 -10.28 C 16.71 -9.58 C 15.53 -10.28 C 14.32 -8.16 C 14.32 -9.58 1 15 1 2 20 1 3 21 1 4 22 1 5 20 2 6 21 2 7 22 2 8 29 2 9 10 2 9 23 1 10 31 1 11 19 1 11 28 2 12 24 1 12 26 2 13 25 1 13 27 2 14 23 2 14 30 1 15 26 1 16 20 1 16 23 1 17 21 1 17 24 1 18 22 1 18 25 1 19 30 1 24 25 2 26 27 1 27 28 1 28 29 1 29 31 1 30 31 2', '31 33 C:57 20.37 -7.47 C:21 9.51 -5.34 C:21 22.80 -14.47 C:21 17.92 -15.87 O 11.91 -5.34 O 20.37 -14.47 O 16.71 -13.78 O 15.53 -11.68 C:120 11.91 -9.58 C:128 13.11 -10.28 C:155 16.71 -8.16 C:108 20.37 -10.28 C:125 17.92 -11.68 C:111 13.11 -7.47 O 19.14 -8.16 O 10.70 -7.45 O 21.58 -12.39 O 19.14 -13.78 O 15.53 -7.47 C:169 10.70 -6.05 C:169 21.58 -13.78 C:169 17.92 -14.47 C:155 11.91 -8.16 C:148 20.37 -11.68 C:138 19.14 -12.39 C:152 19.14 -9.58 C:117 17.92 -10.28 C:122 16.71 -9.58 C:175 15.53 -10.28 C:157 14.32 -8.16 C:122 14.32 -9.58 1 15 1 2 20 1 3 21 1 4 22 1 5 20 2 6 21 2 7 22 2 8 29 2 9 10 2 9 23 1 10 31 1 11 19 1 11 28 2 12 24 1 12 26 2 13 25 1 13 27 2 14 23 2 14 30 1 15 26 1 16 20 1 16 23 1 17 21 1 17 24 1 18 22 1 18 25 1 19 30 1 24 25 2 26 27 1 27 28 1 28 29 1 29 31 1 30 31 2', 'C22H18O9', 426.23, 'C', 'ph59_415_5', 2706, '', '', '1', 1, NULL, NULL),
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(10423, 'Kraussianone', '5,7,2''-Trihydroxy-6-(3-hidroxy-3-methylbutyl-[6'''',6''''-dimethylpyrano(2'''',3'''':4'',5'')]isoflavone', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:205][C:203]([CH3:204])(O)[CH2:202][CH2:201][c:6]4[c:7](O)[cH:8][c:9]3o[cH:2][c:3]([c:101]2[cH:106][c:105]1[CH:304]=[CH:303][C:302]([CH3:306])([CH3:305])O[c:104]1[cH:103][c:102]2O)[c:4](=O)[c:10]3[c:5]4O', 'CC(C)(O)CCc4c(O)cc3occ(c2cc1C=CC(C)(C)Oc1cc2O)c(=O)c3c4O', '[CH3:29][C:69]([CH3:29])(O)[CH2:43][CH2:17][c:113]4[c:162](O)[cH:93][c:155]3o[cH:155][c:120]([c:111]2[cH:130][c:113]1[CH:122]=[CH:128][C:76]([CH3:28])([CH3:28])O[c:154]1[cH:103][c:157]2O)[c:181](=O)[c:104]3[c:159]4O', '32 35 C:205 8.80 -11.09 C:204 10.01 -13.16 C:306 22.79 -14.33 C:305 23.47 -13.16 O 16.01 -11.09 O 19.65 -7.54 O 11.21 -6.84 O 13.59 -11.09 O 8.80 -12.46 C:304 19.65 -13.16 C:303 20.87 -13.84 C:2 17.25 -7.54 C:103 20.87 -9.67 C:106 18.45 -11.09 C:8 13.59 -6.84 C:201 11.21 -9.67 C:202 11.21 -11.09 O 22.08 -11.77 O 16.01 -6.84 C:102 19.65 -8.96 C:7 12.40 -7.54 C:105 19.65 -11.77 C:5 13.59 -9.67 C:104 20.87 -11.09 C:101 18.45 -9.67 C:6 12.40 -8.96 C:3 17.25 -8.96 C:4 16.01 -9.67 C:9 14.85 -7.54 C:10 14.85 -8.96 C:203 10.01 -11.77 C:302 22.08 -13.16 1 31 1 2 31 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 23 1 9 31 1 10 11 2 10 22 1 11 32 1 12 19 1 12 27 2 13 20 2 13 24 1 14 22 1 14 25 2 15 21 2 15 29 1 16 17 1 16 26 1 17 31 1 18 24 1 18 32 1 19 29 1 20 25 1 21 26 1 22 24 2 23 26 2 23 30 1 25 27 1 27 28 1 28 30 1 29 30 2', '32 35 C 8.80 -11.09 C 10.01 -13.16 C 22.79 -14.33 C 23.47 -13.16 O 16.01 -11.09 O 19.65 -7.54 O 11.21 -6.84 O 13.59 -11.09 O 8.80 -12.46 C 19.65 -13.16 C 20.87 -13.84 C 17.25 -7.54 C 20.87 -9.67 C 18.45 -11.09 C 13.59 -6.84 C 11.21 -9.67 C 11.21 -11.09 O 22.08 -11.77 O 16.01 -6.84 C 19.65 -8.96 C 12.40 -7.54 C 19.65 -11.77 C 13.59 -9.67 C 20.87 -11.09 C 18.45 -9.67 C 12.40 -8.96 C 17.25 -8.96 C 16.01 -9.67 C 14.85 -7.54 C 14.85 -8.96 C 10.01 -11.77 C 22.08 -13.16 1 31 1 2 31 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 23 1 9 31 1 10 11 2 10 22 1 11 32 1 12 19 1 12 27 2 13 20 2 13 24 1 14 22 1 14 25 2 15 21 2 15 29 1 16 17 1 16 26 1 17 31 1 18 24 1 18 32 1 19 29 1 20 25 1 21 26 1 22 24 2 23 26 2 23 30 1 25 27 1 27 28 1 28 30 1 29 30 2', '32 35 C:29 8.80 -11.09 C:29 10.01 -13.16 C:28 22.79 -14.33 C:28 23.47 -13.16 O 16.01 -11.09 O 19.65 -7.54 O 11.21 -6.84 O 13.59 -11.09 O 8.80 -12.46 C:122 19.65 -13.16 C:128 20.87 -13.84 C:155 17.25 -7.54 C:103 20.87 -9.67 C:130 18.45 -11.09 C:93 13.59 -6.84 C:17 11.21 -9.67 C:43 11.21 -11.09 O 22.08 -11.77 O 16.01 -6.84 C:157 19.65 -8.96 C:162 12.40 -7.54 C:113 19.65 -11.77 C:159 13.59 -9.67 C:154 20.87 -11.09 C:111 18.45 -9.67 C:113 12.40 -8.96 C:120 17.25 -8.96 C:181 16.01 -9.67 C:155 14.85 -7.54 C:104 14.85 -8.96 C:69 10.01 -11.77 C:76 22.08 -13.16 1 31 1 2 31 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 23 1 9 31 1 10 11 2 10 22 1 11 32 1 12 19 1 12 27 2 13 20 2 13 24 1 14 22 1 14 25 2 15 21 2 15 29 1 16 17 1 16 26 1 17 31 1 18 24 1 18 32 1 19 29 1 20 25 1 21 26 1 22 24 2 23 26 2 23 30 1 25 27 1 27 28 1 28 30 1 29 30 2', 'C25H26O7', 438.263, 'A', 'ph59_739_3', 2707, '', '', '1', 1, NULL, NULL),
(10424, 'Kraussianone', '5b,7-Dihydroxy-2,2,10,10-tetrametil-5b,13a-dihydro-2H,6H,10H-chromeno[6'',7'':4,5]furo[2,3-b]pirano[2,3-g]chromene-6-one', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:305][C:302]2([CH3:306])[CH:303]=[CH:304][c:105]1[cH:106][c:101]5[c:102]([cH:103][c:104]1O2)O[CH:2]6O[c:9]4[cH:8][c:7]3O[C:202]([CH3:206])([CH3:205])[CH:203]=[CH:204][c:6]3[c:5](O)[c:10]4[C:4](=O)[C:3]56O', 'CC2(C)C=Cc1cc5c(cc1O2)OC6Oc4cc3OC(C)(C)C=Cc3c(O)c4C(=O)C56O', '[CH3:28][C:77]2([CH3:28])[CH:129]=[CH:122][c:117]1[cH:123][c:119]5[c:160]([cH:100][c:157]1O2)O[CH:111]6O[c:159]4[cH:97][c:163]3O[C:79]([CH3:29])([CH3:29])[CH:127]=[CH:115][c:104]3[c:159](O)[c:100]4[C:192](=O)[C:78]56O', '32 37 C:305 24.12 -11.84 C:306 23.97 -13.23 C:206 8.79 -7.63 C:205 8.09 -8.84 O 15.51 -12.34 O 13.10 -12.34 O 16.75 -11.64 C:304 20.62 -13.38 C:204 10.70 -10.94 C:303 22.02 -13.53 C:203 9.49 -10.24 C:106 18.65 -11.95 C:103 20.30 -9.69 C:8 13.10 -8.14 O 18.08 -8.41 O 15.51 -8.14 O 22.27 -11.12 O 10.70 -8.14 C:4 15.51 -10.94 C:105 20.05 -12.10 C:5 13.10 -10.94 C:6 11.91 -10.24 C:104 20.87 -10.94 C:102 18.91 -9.54 C:7 11.91 -8.84 C:9 14.36 -8.84 C:101 18.08 -10.67 C:10 14.36 -10.24 C:2 16.75 -8.84 C:302 22.84 -12.40 C:202 9.49 -8.84 C:3 16.75 -10.24 1 30 1 2 30 1 3 31 1 4 31 1 5 19 2 6 21 1 7 32 1 8 10 2 8 20 1 9 11 2 9 22 1 10 30 1 11 31 1 12 20 1 12 27 2 13 23 1 13 24 2 14 25 2 14 26 1 15 24 1 15 29 1 16 26 1 16 29 1 17 23 1 17 30 1 18 25 1 18 31 1 19 28 1 19 32 1 20 23 2 21 22 2 21 28 1 22 25 1 24 27 1 26 28 2 27 32 1 29 32 1', '32 37 C 24.12 -11.84 C 23.97 -13.23 C 8.79 -7.63 C 8.09 -8.84 O 15.51 -12.34 O 13.10 -12.34 O 16.75 -11.64 C 20.62 -13.38 C 10.70 -10.94 C 22.02 -13.53 C 9.49 -10.24 C 18.65 -11.95 C 20.30 -9.69 C 13.10 -8.14 O 18.08 -8.41 O 15.51 -8.14 O 22.27 -11.12 O 10.70 -8.14 C 15.51 -10.94 C 20.05 -12.10 C 13.10 -10.94 C 11.91 -10.24 C 20.87 -10.94 C 18.91 -9.54 C 11.91 -8.84 C 14.36 -8.84 C 18.08 -10.67 C 14.36 -10.24 C 16.75 -8.84 C 22.84 -12.40 C 9.49 -8.84 C 16.75 -10.24 1 30 1 2 30 1 3 31 1 4 31 1 5 19 2 6 21 1 7 32 1 8 10 2 8 20 1 9 11 2 9 22 1 10 30 1 11 31 1 12 20 1 12 27 2 13 23 1 13 24 2 14 25 2 14 26 1 15 24 1 15 29 1 16 26 1 16 29 1 17 23 1 17 30 1 18 25 1 18 31 1 19 28 1 19 32 1 20 23 2 21 22 2 21 28 1 22 25 1 24 27 1 26 28 2 27 32 1 29 32 1', '32 37 C:28 24.12 -11.84 C:28 23.97 -13.23 C:29 8.79 -7.63 C:29 8.09 -8.84 O 15.51 -12.34 O 13.10 -12.34 O 16.75 -11.64 C:122 20.62 -13.38 C:115 10.70 -10.94 C:129 22.02 -13.53 C:127 9.49 -10.24 C:123 18.65 -11.95 C:100 20.30 -9.69 C:97 13.10 -8.14 O 18.08 -8.41 O 15.51 -8.14 O 22.27 -11.12 O 10.70 -8.14 C:192 15.51 -10.94 C:117 20.05 -12.10 C:159 13.10 -10.94 C:104 11.91 -10.24 C:157 20.87 -10.94 C:160 18.91 -9.54 C:163 11.91 -8.84 C:159 14.36 -8.84 C:119 18.08 -10.67 C:100 14.36 -10.24 C:111 16.75 -8.84 C:77 22.84 -12.40 C:79 9.49 -8.84 C:78 16.75 -10.24 1 30 1 2 30 1 3 31 1 4 31 1 5 19 2 6 21 1 7 32 1 8 10 2 8 20 1 9 11 2 9 22 1 10 30 1 11 31 1 12 20 1 12 27 2 13 23 1 13 24 2 14 25 2 14 26 1 15 24 1 15 29 1 16 26 1 16 29 1 17 23 1 17 30 1 18 25 1 18 31 1 19 28 1 19 32 1 20 23 2 21 22 2 21 28 1 22 25 1 24 27 1 26 28 2 27 32 1 29 32 1', 'C25H22O7', 434.263, 'C+A', 'ph59_739_4', 2707, '', '', '1', 1, NULL, NULL),
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