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
(10435, '', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:205][C:202]4([CH3:206])[CH:203]=[CH:204][c:6]3[c:7]([cH:8][c:9]2o[cH:2][c:3]([c:101]1[cH:102][cH:103][c:104](O)[cH:105][cH:106]1)[c:4](=O)[c:10]2[c:5]3O)O4', 'CC4(C)C=Cc3c(cc2occ(c1ccc(O)cc1)c(=O)c2c3O)O4', '[CH3:28][C:78]4([CH3:28])[CH:128]=[CH:115][c:106]3[c:159]([cH:95][c:157]2o[cH:153][c:124]([c:122]1[cH:130][cH:115][c:156](O)[cH:115][cH:130]1)[c:181](=O)[c:105]2[c:157]3O)O4', '25 28 C:205 10.09 -7.88 C:206 9.39 -9.10 O 16.87 -12.60 O 22.90 -13.30 O 14.41 -12.60 C:204 12.00 -11.20 C:203 10.79 -10.50 C:103 21.69 -11.20 C:105 20.48 -13.30 C:102 20.48 -10.50 C:106 19.29 -12.60 C:2 18.09 -9.10 C:8 14.41 -8.40 O 12.00 -8.40 O 16.87 -8.40 C:104 21.69 -12.60 C:101 19.29 -11.20 C:6 13.21 -10.50 C:7 13.21 -9.10 C:5 14.41 -11.20 C:3 18.09 -10.50 C:4 16.87 -11.20 C:9 15.67 -9.10 C:10 15.67 -10.50 C:202 10.79 -9.10 1 25 1 2 25 1 3 22 2 4 16 1 5 20 1 6 7 2 6 18 1 7 25 1 8 10 2 8 16 1 9 11 1 9 16 2 10 17 1 11 17 2 12 15 1 12 21 2 13 19 2 13 23 1 14 19 1 14 25 1 15 23 1 17 21 1 18 19 1 18 20 2 20 24 1 21 22 1 22 24 1 23 24 2', '25 28 C 10.09 -7.88 C 9.39 -9.10 O 16.87 -12.60 O 22.90 -13.30 O 14.41 -12.60 C 12.00 -11.20 C 10.79 -10.50 C 21.69 -11.20 C 20.48 -13.30 C 20.48 -10.50 C 19.29 -12.60 C 18.09 -9.10 C 14.41 -8.40 O 12.00 -8.40 O 16.87 -8.40 C 21.69 -12.60 C 19.29 -11.20 C 13.21 -10.50 C 13.21 -9.10 C 14.41 -11.20 C 18.09 -10.50 C 16.87 -11.20 C 15.67 -9.10 C 15.67 -10.50 C 10.79 -9.10 1 25 1 2 25 1 3 22 2 4 16 1 5 20 1 6 7 2 6 18 1 7 25 1 8 10 2 8 16 1 9 11 1 9 16 2 10 17 1 11 17 2 12 15 1 12 21 2 13 19 2 13 23 1 14 19 1 14 25 1 15 23 1 17 21 1 18 19 1 18 20 2 20 24 1 21 22 1 22 24 1 23 24 2', '25 28 C:28 10.09 -7.88 C:28 9.39 -9.10 O 16.87 -12.60 O 22.90 -13.30 O 14.41 -12.60 C:115 12.00 -11.20 C:128 10.79 -10.50 C:115 21.69 -11.20 C:115 20.48 -13.30 C:130 20.48 -10.50 C:130 19.29 -12.60 C:153 18.09 -9.10 C:95 14.41 -8.40 O 12.00 -8.40 O 16.87 -8.40 C:156 21.69 -12.60 C:122 19.29 -11.20 C:106 13.21 -10.50 C:159 13.21 -9.10 C:157 14.41 -11.20 C:124 18.09 -10.50 C:181 16.87 -11.20 C:157 15.67 -9.10 C:105 15.67 -10.50 C:78 10.79 -9.10 1 25 1 2 25 1 3 22 2 4 16 1 5 20 1 6 7 2 6 18 1 7 25 1 8 10 2 8 16 1 9 11 1 9 16 2 10 17 1 11 17 2 12 15 1 12 21 2 13 19 2 13 23 1 14 19 1 14 25 1 15 23 1 17 21 1 18 19 1 18 20 2 20 24 1 21 22 1 22 24 1 23 24 2', 'C20H16O5', 336.211, 'C+M', 'ph60_783_2', 2710, 'C-3&apos;&apos; and C-4&apos;&apos; interchanged', '', '1', 1, NULL, NULL),
(10436, 'Isoerysenegalensein E (lysisteisoflavone)', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH2:204]=[C:203]([CH3:205])[CH:202](O)[CH2:201][c:6]3[c:7](O)[c:8]([CH2:301][CH:302]=[C:303]([CH3:304])[CH3:305])[c:9]2o[cH:2][c:3]([c:101]1[cH:102][cH:103][c:104](O)[cH:105][cH:106]1)[c:4](=O)[c:10]2[c:5]3O', 'C=C(C)C(O)Cc3c(O)c(CC=C(C)C)c2occ(c1ccc(O)cc1)c(=O)c2c3O', '[CH2:110]=[C:147]([CH3:19])[CH:78](O)[CH2:29][c:109]3[c:161](O)[c:107]([CH2:22][CH:122]=[C:132]([CH3:26])[CH3:18])[c:154]2o[cH:153][c:123]([c:122]1[cH:130][cH:116][c:156](O)[cH:116][cH:130]1)[c:181](=O)[c:106]2[c:158]3O', '31 33 C:204 8.86 -12.34 C:304 17.33 -6.04 C:305 14.88 -6.04 C:205 10.05 -14.44 O 17.33 -14.44 O 23.37 -15.11 O 12.48 -10.22 O 14.88 -14.44 O 11.26 -10.94 C:302 16.13 -8.14 C:103 22.16 -13.04 C:105 20.95 -15.11 C:102 20.95 -12.34 C:106 19.76 -14.44 C:2 18.56 -10.94 C:301 14.88 -8.84 C:201 12.48 -13.04 O 17.33 -10.22 C:303 16.13 -6.74 C:203 10.05 -13.04 C:104 22.16 -14.44 C:101 19.76 -13.04 C:7 13.69 -10.94 C:5 14.88 -13.04 C:3 18.56 -12.34 C:6 13.69 -12.34 C:8 14.88 -10.22 C:4 17.33 -13.04 C:9 16.13 -10.94 C:10 16.13 -12.34 C:202 11.26 -12.34 1 20 2 2 19 1 3 19 1 4 20 1 5 28 2 6 21 1 7 23 1 8 24 1 9 31 1 10 16 1 10 19 2 11 13 2 11 21 1 12 14 1 12 21 2 13 22 1 14 22 2 15 18 1 15 25 2 16 27 1 17 26 1 17 31 1 18 29 1 20 31 1 22 25 1 23 26 1 23 27 2 24 26 2 24 30 1 25 28 1 27 29 1 28 30 1 29 30 2', '31 33 C 8.86 -12.34 C 17.33 -6.04 C 14.88 -6.04 C 10.05 -14.44 O 17.33 -14.44 O 23.37 -15.11 O 12.48 -10.22 O 14.88 -14.44 O 11.26 -10.94 C 16.13 -8.14 C 22.16 -13.04 C 20.95 -15.11 C 20.95 -12.34 C 19.76 -14.44 C 18.56 -10.94 C 14.88 -8.84 C 12.48 -13.04 O 17.33 -10.22 C 16.13 -6.74 C 10.05 -13.04 C 22.16 -14.44 C 19.76 -13.04 C 13.69 -10.94 C 14.88 -13.04 C 18.56 -12.34 C 13.69 -12.34 C 14.88 -10.22 C 17.33 -13.04 C 16.13 -10.94 C 16.13 -12.34 C 11.26 -12.34 1 20 2 2 19 1 3 19 1 4 20 1 5 28 2 6 21 1 7 23 1 8 24 1 9 31 1 10 16 1 10 19 2 11 13 2 11 21 1 12 14 1 12 21 2 13 22 1 14 22 2 15 18 1 15 25 2 16 27 1 17 26 1 17 31 1 18 29 1 20 31 1 22 25 1 23 26 1 23 27 2 24 26 2 24 30 1 25 28 1 27 29 1 28 30 1 29 30 2', '31 33 C:110 8.86 -12.34 C:26 17.33 -6.04 C:18 14.88 -6.04 C:19 10.05 -14.44 O 17.33 -14.44 O 23.37 -15.11 O 12.48 -10.22 O 14.88 -14.44 O 11.26 -10.94 C:122 16.13 -8.14 C:116 22.16 -13.04 C:116 20.95 -15.11 C:130 20.95 -12.34 C:130 19.76 -14.44 C:153 18.56 -10.94 C:22 14.88 -8.84 C:29 12.48 -13.04 O 17.33 -10.22 C:132 16.13 -6.74 C:147 10.05 -13.04 C:156 22.16 -14.44 C:122 19.76 -13.04 C:161 13.69 -10.94 C:158 14.88 -13.04 C:123 18.56 -12.34 C:109 13.69 -12.34 C:107 14.88 -10.22 C:181 17.33 -13.04 C:154 16.13 -10.94 C:106 16.13 -12.34 C:78 11.26 -12.34 1 20 2 2 19 1 3 19 1 4 20 1 5 28 2 6 21 1 7 23 1 8 24 1 9 31 1 10 16 1 10 19 2 11 13 2 11 21 1 12 14 1 12 21 2 13 22 1 14 22 2 15 18 1 15 25 2 16 27 1 17 26 1 17 31 1 18 29 1 20 31 1 22 25 1 23 26 1 23 27 2 24 26 2 24 30 1 25 28 1 27 29 1 28 30 1 29 30 2', 'C25H26O6', 422.264, 'C', 'ph60_783_3', 2710, '', '', '1', 1, NULL, NULL),
(10437, 'Lysisteisoflavanone', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavanones', '[CH3:104001]O[c:104]3[cH:103][c:102](O)[c:101]([CH:3]2[CH2:2]O[c:9]1[cH:8][c:7](O)[cH:6][c:5](O)[c:10]1[C:4]2=O)[cH:106][c:105]3[CH2:201][CH:202]=[C:203]([CH3:204])[CH3:205]', 'COc3cc(O)c(C2COc1cc(O)cc(O)c1C2=O)cc3CC=C(C)C', '[CH3:55]O[c:158]3[cH:101][c:154](O)[c:123]([CH:45]2[CH2:70]O[c:163]1[cH:96][c:166](O)[cH:97][c:165](O)[c:102]1[C:197]2=O)[cH:128][c:113]3[CH2:28][CH:123]=[C:132]([CH3:26])[CH3:18]', '27 29 C:104001 21.58 -12.30 C:204 16.71 -15.11 C:205 19.14 -15.11 O 15.52 -10.23 O 10.68 -6.01 O 19.14 -6.71 O 13.08 -10.23 C:202 17.92 -13.00 C:6 11.89 -8.12 C:8 13.08 -6.01 C:103 20.33 -8.83 C:106 17.92 -10.23 C:201 19.14 -12.30 C:2 16.71 -6.71 O 21.58 -10.90 O 15.52 -6.01 C:203 17.92 -14.40 C:4 15.52 -8.83 C:7 11.89 -6.71 C:102 19.14 -8.12 C:5 13.08 -8.83 C:105 19.14 -10.90 C:104 20.33 -10.23 C:9 14.33 -6.71 C:101 17.92 -8.83 C:10 14.33 -8.12 C:3 16.71 -8.12 1 15 1 2 17 1 3 17 1 4 18 2 5 19 1 6 20 1 7 21 1 8 13 1 8 17 2 9 19 1 9 21 2 10 19 2 10 24 1 11 20 2 11 23 1 12 22 1 12 25 2 13 22 1 14 16 1 14 27 1 15 23 1 16 24 1 18 26 1 18 27 1 20 25 1 21 26 1 22 23 2 24 26 2 25 27 1', '27 29 C 21.58 -12.30 C 16.71 -15.11 C 19.14 -15.11 O 15.52 -10.23 O 10.68 -6.01 O 19.14 -6.71 O 13.08 -10.23 C 17.92 -13.00 C 11.89 -8.12 C 13.08 -6.01 C 20.33 -8.83 C 17.92 -10.23 C 19.14 -12.30 C 16.71 -6.71 O 21.58 -10.90 O 15.52 -6.01 C 17.92 -14.40 C 15.52 -8.83 C 11.89 -6.71 C 19.14 -8.12 C 13.08 -8.83 C 19.14 -10.90 C 20.33 -10.23 C 14.33 -6.71 C 17.92 -8.83 C 14.33 -8.12 C 16.71 -8.12 1 15 1 2 17 1 3 17 1 4 18 2 5 19 1 6 20 1 7 21 1 8 13 1 8 17 2 9 19 1 9 21 2 10 19 2 10 24 1 11 20 2 11 23 1 12 22 1 12 25 2 13 22 1 14 16 1 14 27 1 15 23 1 16 24 1 18 26 1 18 27 1 20 25 1 21 26 1 22 23 2 24 26 2 25 27 1', '27 29 C:55 21.58 -12.30 C:26 16.71 -15.11 C:18 19.14 -15.11 O 15.52 -10.23 O 10.68 -6.01 O 19.14 -6.71 O 13.08 -10.23 C:123 17.92 -13.00 C:97 11.89 -8.12 C:96 13.08 -6.01 C:101 20.33 -8.83 C:128 17.92 -10.23 C:28 19.14 -12.30 C:70 16.71 -6.71 O 21.58 -10.90 O 15.52 -6.01 C:132 17.92 -14.40 C:197 15.52 -8.83 C:166 11.89 -6.71 C:154 19.14 -8.12 C:165 13.08 -8.83 C:113 19.14 -10.90 C:158 20.33 -10.23 C:163 14.33 -6.71 C:123 17.92 -8.83 C:102 14.33 -8.12 C:45 16.71 -8.12 1 15 1 2 17 1 3 17 1 4 18 2 5 19 1 6 20 1 7 21 1 8 13 1 8 17 2 9 19 1 9 21 2 10 19 2 10 24 1 11 20 2 11 23 1 12 22 1 12 25 2 13 22 1 14 16 1 14 27 1 15 23 1 16 24 1 18 26 1 18 27 1 20 25 1 21 26 1 22 23 2 24 26 2 25 27 1', 'C21H22O6', 370.221, 'C', 'ph60_783_6', 2710, '', '', '1', 1, NULL, NULL),
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19 2 17 44 1 18 20 1 18 44 2 19 45 1 20 45 2 21 37 1 21 48 2 22 47 2 22 50 1 23 46 2 23 51 1 24 27 1 53 24 -1 25 44 1 26 46 1 54 27 -2 28 38 1 56 28 -2 29 39 1 57 29 -2 30 40 1 58 30 -1 31 41 1 59 31 -2 32 42 1 60 32 -1 33 43 1 61 33 -1 34 47 1 55 34 -1 35 52 1 35 54 1 36 53 1 36 55 1 37 50 1 45 48 1 46 47 1 48 49 1 49 51 1 50 51 2 52 56 1 53 57 1 54 58 1 55 59 1 56 60 1 57 61 1 58 60 1 59 61 1', '61 65 C:56 24.01 -18.62 C:57 13.12 -16.51 C:21 24.01 -6.06 C:21 11.89 -4.64 C:21 15.50 -3.92 C:21 9.46 -13.01 C:21 20.38 -2.51 C:21 8.27 -8.11 C:18 21.59 -8.84 O 22.79 -8.13 O 10.68 -6.74 O 17.96 -3.92 O 11.89 -13.03 O 21.59 -4.60 O 9.46 -10.22 O 17.96 -16.51 C:114 22.79 -15.12 C:114 21.59 -17.22 C:130 21.59 -14.42 C:130 20.38 -16.51 C:153 19.20 -13.03 C:107 15.55 -12.33 C:107 15.55 -15.12 C:67 15.55 -8.13 O 24.01 -17.22 O 13.12 -15.11 O 16.77 -8.84 O 21.59 -6.02 O 13.12 -6.74 O 16.71 -6.02 O 10.69 -10.92 O 19.14 -4.61 O 10.68 -8.13 O 13.12 -12.33 O 19.20 -8.78 O 14.34 -10.23 O 17.96 -12.33 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13 41 2 14 42 2 15 43 2 16 50 2 17 47 1 18 20 2 18 44 1 19 21 1 19 44 2 20 45 1 21 45 2 22 37 1 22 48 2 23 46 2 23 51 1 24 27 1 54 24 -1 25 44 1 26 49 1 55 27 -2 28 38 1 57 28 -2 29 39 1 58 29 -2 30 40 1 59 30 -1 31 41 1 60 31 -2 32 42 1 61 32 -1 33 43 1 62 33 -1 34 46 1 56 34 -1 35 53 1 35 55 1 36 54 1 36 56 1 37 51 1 45 48 1 46 49 1 47 49 2 47 52 1 48 50 1 50 52 1 51 52 2 53 57 1 54 58 1 55 59 1 56 60 1 57 61 1 58 62 1 59 61 1 60 62 1', '62 66 C:55 24.02 -18.63 C:61 13.13 -16.52 C:21 24.02 -6.06 C:21 11.90 -4.64 C:21 15.55 -3.92 C:21 9.46 -13.02 C:21 20.39 -2.51 C:21 8.27 -8.11 C:17 21.60 -8.84 O 22.80 -8.13 O 10.68 -6.74 O 17.97 -3.92 O 11.90 -13.04 O 21.60 -4.60 O 9.46 -10.22 O 17.97 -16.52 O 15.55 -16.53 C:114 22.80 -15.13 C:114 21.60 -17.23 C:130 21.60 -14.43 C:130 20.39 -16.52 C:154 19.21 -13.04 C:95 15.56 -12.34 C:67 15.55 -8.13 O 24.02 -17.23 O 13.13 -15.12 O 16.78 -8.84 O 21.60 -6.02 O 13.13 -6.74 O 16.72 -6.02 O 10.69 -10.93 O 19.15 -4.61 O 10.68 -8.13 O 13.13 -12.34 O 19.21 -8.78 O 14.35 -10.23 O 17.97 -12.34 C:170 22.80 -6.74 C:170 11.90 -6.04 C:170 16.72 -4.62 C:170 10.68 -12.33 C:169 20.39 -3.91 C:170 9.46 -8.82 C:160 22.80 -16.52 C:123 20.39 -15.13 C:156 14.35 -13.04 C:154 15.55 -15.13 C:123 19.21 -14.43 C:134 14.35 -14.43 C:181 17.97 -15.13 C:153 16.78 -13.04 C:108 16.78 -14.43 C:67 20.39 -8.13 C:74 14.35 -8.84 C:98 17.97 -8.13 C:100 13.13 -10.93 C:71 20.39 -6.69 C:69 13.13 -8.13 C:69 17.97 -6.74 C:71 11.90 -10.23 C:69 19.15 -6.02 C:72 11.90 -8.84 1 25 1 2 26 1 3 38 1 4 39 1 5 40 1 6 41 1 7 42 1 8 43 1 53 9 -1 10 38 2 11 39 2 12 40 2 13 41 2 14 42 2 15 43 2 16 50 2 17 47 1 18 20 2 18 44 1 19 21 1 19 44 2 20 45 1 21 45 2 22 37 1 22 48 2 23 46 2 23 51 1 24 27 1 54 24 -1 25 44 1 26 49 1 55 27 -2 28 38 1 57 28 -2 29 39 1 58 29 -2 30 40 1 59 30 -1 31 41 1 60 31 -2 32 42 1 61 32 -1 33 43 1 62 33 -1 34 46 1 56 34 -1 35 53 1 35 55 1 36 54 1 36 56 1 37 51 1 45 48 1 46 49 1 47 49 2 47 52 1 48 50 1 50 52 1 51 52 2 53 57 1 54 58 1 55 59 1 56 60 1 57 61 1 58 62 1 59 61 1 60 62 1', 'C41H46O21', 874.426, 'M', 'ph60_827_5', 2712, '', '', '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
(10447, 'Formosanatin A', '5,7,5''-Trihydroxy-6-(3-hydroxy-3-methylbutyl)-8-(γ,γ-dimethylallyl)-[6'''''''',6''''''''-dimethylpyrano-(2'''''''',3'''''''':4'',3'')]coumaronochromone', 'Flavonoids', 'Isoflavonoids', 'Isoflavonols', '[CH3:304][C:303]([CH3:305])=[CH:302][CH2:301][c:8]4[c:7](O)[c:6]([CH2:201][CH2:202][C:203]([CH3:205])([CH3:204])O)[c:5](O)[c:10]5[c:4](=O)[c:3]3[c:2](o[c:102]2[c:103]1[CH:404]=[CH:403][C:402]([CH3:405])([CH3:406])O[c:104]1[c:105](O)[cH:106][c:101]23)o[c:9]45', 'CC(C)=CCc4c(O)c(CCC(C)(C)O)c(O)c5c(=O)c3c(oc2c1C=CC(C)(C)Oc1c(O)cc23)oc45', '[CH3:18][C:132]([CH3:26])=[CH:122][CH2:22][c:108]4[c:158](O)[c:113]([CH2:17][CH2:41][C:71]([CH3:29])([CH3:29])O)[c:158](O)[c:103]5[c:179](=O)[c:98]3[c:165](o[c:139]2[c:107]1[CH:115]=[CH:132][C:77]([CH3:27])([CH3:27])O[c:138]1[c:143](O)[cH:106][c:114]23)o[c:150]45', '38 42 C:304 13.52 -5.84 C:305 15.91 -5.84 C:205 8.66 -14.25 C:204 7.46 -12.14 C:405 24.62 -12.67 C:406 24.76 -11.28 O 15.91 -14.25 O 21.03 -15.28 O 11.09 -10.06 O 13.52 -14.25 O 7.46 -13.55 C:404 21.52 -10.44 C:403 22.90 -10.57 C:302 14.74 -7.93 C:106 19.06 -13.86 C:301 13.52 -8.64 C:201 11.09 -12.84 C:202 9.87 -12.14 O 22.67 -13.00 O 18.49 -10.31 O 15.91 -10.06 C:303 14.74 -6.54 C:105 20.46 -14.00 C:7 12.31 -10.75 C:5 13.52 -12.84 C:103 20.71 -11.59 C:6 12.31 -12.14 C:8 13.52 -10.06 C:104 21.28 -12.84 C:4 15.91 -12.84 C:2 17.15 -10.75 C:101 18.49 -12.57 C:102 19.31 -11.45 C:9 14.74 -10.75 C:10 14.74 -12.14 C:3 17.15 -12.14 C:203 8.66 -12.84 C:402 23.48 -11.85 1 22 1 2 22 1 3 37 1 4 37 1 5 38 1 6 38 1 7 30 2 8 23 1 9 24 1 10 25 1 11 37 1 12 13 2 12 26 1 13 38 1 14 16 1 14 22 2 15 23 1 15 32 2 16 28 1 17 18 1 17 27 1 18 37 1 19 29 1 19 38 1 20 31 1 20 33 1 21 31 1 21 34 1 23 29 2 24 27 1 24 28 2 25 27 2 25 35 1 26 29 1 26 33 2 28 34 1 30 35 1 30 36 1 31 36 2 32 33 1 32 36 1 34 35 2', '38 42 C 13.52 -5.84 C 15.91 -5.84 C 8.66 -14.25 C 7.46 -12.14 C 24.62 -12.67 C 24.76 -11.28 O 15.91 -14.25 O 21.03 -15.28 O 11.09 -10.06 O 13.52 -14.25 O 7.46 -13.55 C 21.52 -10.44 C 22.90 -10.57 C 14.74 -7.93 C 19.06 -13.86 C 13.52 -8.64 C 11.09 -12.84 C 9.87 -12.14 O 22.67 -13.00 O 18.49 -10.31 O 15.91 -10.06 C 14.74 -6.54 C 20.46 -14.00 C 12.31 -10.75 C 13.52 -12.84 C 20.71 -11.59 C 12.31 -12.14 C 13.52 -10.06 C 21.28 -12.84 C 15.91 -12.84 C 17.15 -10.75 C 18.49 -12.57 C 19.31 -11.45 C 14.74 -10.75 C 14.74 -12.14 C 17.15 -12.14 C 8.66 -12.84 C 23.48 -11.85 1 22 1 2 22 1 3 37 1 4 37 1 5 38 1 6 38 1 7 30 2 8 23 1 9 24 1 10 25 1 11 37 1 12 13 2 12 26 1 13 38 1 14 16 1 14 22 2 15 23 1 15 32 2 16 28 1 17 18 1 17 27 1 18 37 1 19 29 1 19 38 1 20 31 1 20 33 1 21 31 1 21 34 1 23 29 2 24 27 1 24 28 2 25 27 2 25 35 1 26 29 1 26 33 2 28 34 1 30 35 1 30 36 1 31 36 2 32 33 1 32 36 1 34 35 2', '38 42 C:18 13.52 -5.84 C:26 15.91 -5.84 C:29 8.66 -14.25 C:29 7.46 -12.14 C:27 24.62 -12.67 C:27 24.76 -11.28 O 15.91 -14.25 O 21.03 -15.28 O 11.09 -10.06 O 13.52 -14.25 O 7.46 -13.55 C:115 21.52 -10.44 C:132 22.90 -10.57 C:122 14.74 -7.93 C:106 19.06 -13.86 C:22 13.52 -8.64 C:17 11.09 -12.84 C:41 9.87 -12.14 O 22.67 -13.00 O 18.49 -10.31 O 15.91 -10.06 C:132 14.74 -6.54 C:143 20.46 -14.00 C:158 12.31 -10.75 C:158 13.52 -12.84 C:107 20.71 -11.59 C:113 12.31 -12.14 C:108 13.52 -10.06 C:138 21.28 -12.84 C:179 15.91 -12.84 C:165 17.15 -10.75 C:114 18.49 -12.57 C:139 19.31 -11.45 C:150 14.74 -10.75 C:103 14.74 -12.14 C:98 17.15 -12.14 C:71 8.66 -12.84 C:77 23.48 -11.85 1 22 1 2 22 1 3 37 1 4 37 1 5 38 1 6 38 1 7 30 2 8 23 1 9 24 1 10 25 1 11 37 1 12 13 2 12 26 1 13 38 1 14 16 1 14 22 2 15 23 1 15 32 2 16 28 1 17 18 1 17 27 1 18 37 1 19 29 1 19 38 1 20 31 1 20 33 1 21 31 1 21 34 1 23 29 2 24 27 1 24 28 2 25 27 2 25 35 1 26 29 1 26 33 2 28 34 1 30 35 1 30 36 1 31 36 2 32 33 1 32 36 1 34 35 2', 'C30H32O8', 520.316, 'C', 'ph60_839_1', 2713, '', '', '1', 1, NULL, NULL),
(10448, 'Formosanatin B', '5,7,5'',4'''''''',5''''''''-Pentahydroxy-6,8-bis-(γ,γ-dimethylallyl)-[6'''''''',6''''''''-dimethyl-4'''''''',5''''''''-dihydropyrano-(2'''''''',3'''''''':4'',3'')]-coumaronochromone', 'Flavonoids', 'Isoflavonoids', 'Isoflavonols', '[CH3:204][C:203]([CH3:205])=[CH:202][CH2:201][c:6]5[c:7](O)[c:8]([CH2:301][CH:302]=[C:303]([CH3:305])[CH3:304])[c:9]4o[c:2]3o[c:102]2[c:103]1[c:104](O[C:402]([CH3:406])([CH3:405])[C@H:403](O)[C@H:404]1O)[c:105](O)[cH:106][c:101]2[c:3]3[c:4](=O)[c:10]4[c:5]5O', 'CC(C)=CCc5c(O)c(CC=C(C)C)c4oc3oc2c1c(OC(C)(C)[C@H](O)[C@H]1O)c(O)cc2c3c(=O)c4c5O', '[CH3:26][C:135]([CH3:18])=[CH:121][CH2:22][c:111]5[c:159](O)[c:107]([CH2:22][CH:121]=[C:133]([CH3:26])[CH3:19])[c:150]4o[c:165]3o[c:141]2[c:109]1[c:136](O[C:80]([CH3:19])([CH3:26])[C@H:76](O)[C@H:67]1O)[c:144](O)[cH:106][c:115]2[c:97]3[c:179](=O)[c:104]4[c:160]5O', '39 43 C:204 7.46 -12.14 C:205 8.66 -14.25 C:305 15.91 -5.84 C:304 13.52 -5.84 C:406 24.76 -11.28 C:405 24.62 -12.67 O 15.91 -14.25 O 21.03 -15.28 O 11.09 -10.06 O 13.52 -14.25 O 20.95 -9.16 O 23.70 -9.42 C:202 9.87 -12.14 C:302 14.74 -7.93 C:106 19.06 -13.86 C:201 11.09 -12.84 C:301 13.52 -8.64 O 22.67 -13.00 O 15.91 -10.06 O 18.49 -10.31 C:203 8.66 -12.84 C:303 14.74 -6.54 C:105 20.46 -14.00 C:7 12.31 -10.75 C:5 13.52 -12.84 C:6 12.31 -12.14 C:8 13.52 -10.06 C:104 21.28 -12.84 C:103 20.71 -11.59 C:4 15.91 -12.84 C:2 17.15 -10.75 C:101 18.49 -12.57 C:9 14.74 -10.75 C:102 19.31 -11.45 C:10 14.74 -12.14 C:3 17.15 -12.14 C:404 21.52 -10.44 C:403 22.90 -10.57 C:402 23.48 -11.85 1 21 1 2 21 1 3 22 1 4 22 1 5 39 1 6 39 1 7 30 2 8 23 1 9 24 1 10 25 1 37 11 -2 38 12 -1 13 16 1 13 21 2 14 17 1 14 22 2 15 23 1 15 32 2 16 26 1 17 27 1 18 28 1 18 39 1 19 31 1 19 33 1 20 31 1 20 34 1 23 28 2 24 26 1 24 27 2 25 26 2 25 35 1 27 33 1 28 29 1 29 34 2 29 37 1 30 35 1 30 36 1 31 36 2 32 34 1 32 36 1 33 35 2 37 38 1 38 39 1', '39 43 C 7.46 -12.14 C 8.66 -14.25 C 15.91 -5.84 C 13.52 -5.84 C 24.76 -11.28 C 24.62 -12.67 O 15.91 -14.25 O 21.03 -15.28 O 11.09 -10.06 O 13.52 -14.25 O 20.95 -9.16 O 23.70 -9.42 C 9.87 -12.14 C 14.74 -7.93 C 19.06 -13.86 C 11.09 -12.84 C 13.52 -8.64 O 22.67 -13.00 O 15.91 -10.06 O 18.49 -10.31 C 8.66 -12.84 C 14.74 -6.54 C 20.46 -14.00 C 12.31 -10.75 C 13.52 -12.84 C 12.31 -12.14 C 13.52 -10.06 C 21.28 -12.84 C 20.71 -11.59 C 15.91 -12.84 C 17.15 -10.75 C 18.49 -12.57 C 14.74 -10.75 C 19.31 -11.45 C 14.74 -12.14 C 17.15 -12.14 C 21.52 -10.44 C 22.90 -10.57 C 23.48 -11.85 1 21 1 2 21 1 3 22 1 4 22 1 5 39 1 6 39 1 7 30 2 8 23 1 9 24 1 10 25 1 37 11 -2 38 12 -1 13 16 1 13 21 2 14 17 1 14 22 2 15 23 1 15 32 2 16 26 1 17 27 1 18 28 1 18 39 1 19 31 1 19 33 1 20 31 1 20 34 1 23 28 2 24 26 1 24 27 2 25 26 2 25 35 1 27 33 1 28 29 1 29 34 2 29 37 1 30 35 1 30 36 1 31 36 2 32 34 1 32 36 1 33 35 2 37 38 1 38 39 1', '39 43 C:26 7.46 -12.14 C:18 8.66 -14.25 C:26 15.91 -5.84 C:19 13.52 -5.84 C:19 24.76 -11.28 C:26 24.62 -12.67 O 15.91 -14.25 O 21.03 -15.28 O 11.09 -10.06 O 13.52 -14.25 O 20.95 -9.16 O 23.70 -9.42 C:121 9.87 -12.14 C:121 14.74 -7.93 C:106 19.06 -13.86 C:22 11.09 -12.84 C:22 13.52 -8.64 O 22.67 -13.00 O 15.91 -10.06 O 18.49 -10.31 C:135 8.66 -12.84 C:133 14.74 -6.54 C:144 20.46 -14.00 C:159 12.31 -10.75 C:160 13.52 -12.84 C:111 12.31 -12.14 C:107 13.52 -10.06 C:136 21.28 -12.84 C:109 20.71 -11.59 C:179 15.91 -12.84 C:165 17.15 -10.75 C:115 18.49 -12.57 C:150 14.74 -10.75 C:141 19.31 -11.45 C:104 14.74 -12.14 C:97 17.15 -12.14 C:67 21.52 -10.44 C:76 22.90 -10.57 C:80 23.48 -11.85 1 21 1 2 21 1 3 22 1 4 22 1 5 39 1 6 39 1 7 30 2 8 23 1 9 24 1 10 25 1 37 11 -2 38 12 -1 13 16 1 13 21 2 14 17 1 14 22 2 15 23 1 15 32 2 16 26 1 17 27 1 18 28 1 18 39 1 19 31 1 19 33 1 20 31 1 20 34 1 23 28 2 24 26 1 24 27 2 25 26 2 25 35 1 27 33 1 28 29 1 29 34 2 29 37 1 30 35 1 30 36 1 31 36 2 32 34 1 32 36 1 33 35 2 37 38 1 38 39 1', 'C30H32O9', 536.316, 'C', 'ph60_839_2', 2713, '', '', '1', 1, NULL, NULL),
(10449, 'Formosanatin C', '5,5''-Dihydroxy-8-(γ,γ-dimethylallyl)-[6'''',6''''-dimethyl-4'''',5''''-dihydropyrano-(2'''',3'''':7,6)]-[6'''''''',6''''''''-dimethylpyrano-(2'''''''',3'''''''':4'',3'')]-coumaronochromone', 'Flavonoids', 'Isoflavonoids', 'Isoflavonols', '[CH3:305][C:303]([CH3:304])=[CH:302][CH2:301][c:8]5[c:7]1O[C:202]([CH3:205])([CH3:206])[CH2:203][CH2:204][c:6]1[c:5](O)[c:10]6[c:4](=O)[c:3]4[c:2](o[c:102]3[c:103]2[CH:404]=[CH:403][C:402]([CH3:406])([CH3:405])O[c:104]2[c:105](O)[cH:106][c:101]34)o[c:9]56', 'CC(C)=CCc5c1OC(C)(C)CCc1c(O)c6c(=O)c4c(oc3c2C=CC(C)(C)Oc2c(O)cc34)oc56', '[CH3:26][C:132]([CH3:18])=[CH:122][CH2:22][c:108]5[c:157]1O[C:76]([CH3:27])([CH3:27])[CH2:32][CH2:16][c:106]1[c:158](O)[c:103]6[c:179](=O)[c:98]4[c:165](o[c:139]3[c:107]2[CH:115]=[CH:132][C:78]([CH3:27])([CH3:27])O[c:137]2[c:143](O)[cH:106][c:115]34)o[c:150]56', '37 42 C:305 15.45 -5.89 C:304 13.06 -5.89 C:406 24.28 -11.32 C:405 24.14 -12.72 C:205 8.74 -9.58 C:206 8.03 -10.79 O 15.45 -14.30 O 20.57 -15.32 O 13.06 -14.30 C:404 21.06 -10.48 C:403 22.44 -10.61 C:302 14.28 -7.97 C:106 18.60 -13.91 C:301 13.06 -8.68 C:204 10.64 -12.90 C:203 9.43 -12.19 O 22.21 -13.05 O 10.64 -10.09 O 18.03 -10.35 O 15.45 -10.09 C:303 14.28 -6.59 C:105 20.00 -14.05 C:5 13.06 -12.90 C:103 20.25 -11.63 C:6 11.85 -12.19 C:8 13.06 -10.09 C:104 20.82 -12.90 C:7 11.85 -10.79 C:4 15.45 -12.90 C:2 16.69 -10.79 C:101 18.03 -12.62 C:102 18.85 -11.49 C:9 14.28 -10.79 C:10 14.28 -12.19 C:3 16.69 -12.19 C:402 23.00 -11.89 C:202 9.43 -10.79 1 21 1 2 21 1 3 36 1 4 36 1 5 37 1 6 37 1 7 29 2 8 22 1 9 23 1 10 11 2 10 24 1 11 36 1 12 14 1 12 21 2 13 22 1 13 31 2 14 26 1 15 16 1 15 25 1 16 37 1 17 27 1 17 36 1 18 28 1 18 37 1 19 30 1 19 32 1 20 30 1 20 33 1 22 27 2 23 25 2 23 34 1 24 27 1 24 32 2 25 28 1 26 28 2 26 33 1 29 34 1 29 35 1 30 35 2 31 32 1 31 35 1 33 34 2', '37 42 C 15.45 -5.89 C 13.06 -5.89 C 24.28 -11.32 C 24.14 -12.72 C 8.74 -9.58 C 8.03 -10.79 O 15.45 -14.30 O 20.57 -15.32 O 13.06 -14.30 C 21.06 -10.48 C 22.44 -10.61 C 14.28 -7.97 C 18.60 -13.91 C 13.06 -8.68 C 10.64 -12.90 C 9.43 -12.19 O 22.21 -13.05 O 10.64 -10.09 O 18.03 -10.35 O 15.45 -10.09 C 14.28 -6.59 C 20.00 -14.05 C 13.06 -12.90 C 20.25 -11.63 C 11.85 -12.19 C 13.06 -10.09 C 20.82 -12.90 C 11.85 -10.79 C 15.45 -12.90 C 16.69 -10.79 C 18.03 -12.62 C 18.85 -11.49 C 14.28 -10.79 C 14.28 -12.19 C 16.69 -12.19 C 23.00 -11.89 C 9.43 -10.79 1 21 1 2 21 1 3 36 1 4 36 1 5 37 1 6 37 1 7 29 2 8 22 1 9 23 1 10 11 2 10 24 1 11 36 1 12 14 1 12 21 2 13 22 1 13 31 2 14 26 1 15 16 1 15 25 1 16 37 1 17 27 1 17 36 1 18 28 1 18 37 1 19 30 1 19 32 1 20 30 1 20 33 1 22 27 2 23 25 2 23 34 1 24 27 1 24 32 2 25 28 1 26 28 2 26 33 1 29 34 1 29 35 1 30 35 2 31 32 1 31 35 1 33 34 2', '37 42 C:26 15.45 -5.89 C:18 13.06 -5.89 C:27 24.28 -11.32 C:27 24.14 -12.72 C:27 8.74 -9.58 C:27 8.03 -10.79 O 15.45 -14.30 O 20.57 -15.32 O 13.06 -14.30 C:115 21.06 -10.48 C:132 22.44 -10.61 C:122 14.28 -7.97 C:106 18.60 -13.91 C:22 13.06 -8.68 C:16 10.64 -12.90 C:32 9.43 -12.19 O 22.21 -13.05 O 10.64 -10.09 O 18.03 -10.35 O 15.45 -10.09 C:132 14.28 -6.59 C:143 20.00 -14.05 C:158 13.06 -12.90 C:107 20.25 -11.63 C:106 11.85 -12.19 C:108 13.06 -10.09 C:137 20.82 -12.90 C:157 11.85 -10.79 C:179 15.45 -12.90 C:165 16.69 -10.79 C:115 18.03 -12.62 C:139 18.85 -11.49 C:150 14.28 -10.79 C:103 14.28 -12.19 C:98 16.69 -12.19 C:78 23.00 -11.89 C:76 9.43 -10.79 1 21 1 2 21 1 3 36 1 4 36 1 5 37 1 6 37 1 7 29 2 8 22 1 9 23 1 10 11 2 10 24 1 11 36 1 12 14 1 12 21 2 13 22 1 13 31 2 14 26 1 15 16 1 15 25 1 16 37 1 17 27 1 17 36 1 18 28 1 18 37 1 19 30 1 19 32 1 20 30 1 20 33 1 22 27 2 23 25 2 23 34 1 24 27 1 24 32 2 25 28 1 26 28 2 26 33 1 29 34 1 29 35 1 30 35 2 31 32 1 31 35 1 33 34 2', 'C30H30O7', 502.317, 'C', 'ph60_839_3', 2713, '', '', '1', 1, NULL, NULL),
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(10461, 'Erypoegin H', '', 'Flavonoids', 'Pterocarpanoids', '', '[CH3:104][C:103]([CH3:105])=[CH:102][CH2:101][c:10]3[c:9](O)[cH:8][cH:7][c:6002]4[c:6001]2[CH2:6]O[c:4001]1[cH:4][c:3](O)[cH:2][cH:1][c:11002]1[c:11001]2o[c:10001]34', 'CC(C)=CCc3c(O)ccc4c2COc1cc(O)ccc1c2oc34', '[CH3:26][C:135]([CH3:18])=[CH:121][CH2:23][c:111]3[c:152](O)[cH:113][cH:116][c:119]4[c:106]2[CH2:66]O[c:155]1[cH:104][c:157](O)[cH:108][cH:121][c:110]1[c:147]2o[c:155]34', '24 27 C:104 14.77 -14.27 C:105 16.99 -15.25 O 11.33 -5.96 O 20.89 -12.40 C:102 16.72 -12.84 C:2 12.54 -8.04 C:1 13.75 -8.74 C:8 20.65 -9.98 C:7 19.82 -8.83 C:4 13.75 -5.96 C:101 18.12 -12.69 C:6 17.39 -6.65 O 16.16 -5.96 O 16.46 -10.12 C:103 16.16 -14.12 C:3 12.54 -6.65 C:9 20.07 -11.26 C:4001 14.96 -6.65 C:11002 14.96 -8.04 C:10 18.68 -11.41 C:6001 17.39 -8.04 C:11001 16.16 -8.74 C:6002 18.43 -8.98 C:10001 17.86 -10.27 1 15 1 2 15 1 3 16 1 4 17 1 5 11 1 5 15 2 6 7 1 6 16 2 7 19 2 8 9 2 8 17 1 9 23 1 10 16 1 10 18 2 11 20 1 12 13 1 12 21 1 13 18 1 14 22 1 14 24 1 17 20 2 18 19 1 19 22 1 20 24 1 21 22 2 21 23 1 23 24 2', '24 27 C 14.77 -14.27 C 16.99 -15.25 O 11.33 -5.96 O 20.89 -12.40 C 16.72 -12.84 C 12.54 -8.04 C 13.75 -8.74 C 20.65 -9.98 C 19.82 -8.83 C 13.75 -5.96 C 18.12 -12.69 C 17.39 -6.65 O 16.16 -5.96 O 16.46 -10.12 C 16.16 -14.12 C 12.54 -6.65 C 20.07 -11.26 C 14.96 -6.65 C 14.96 -8.04 C 18.68 -11.41 C 17.39 -8.04 C 16.16 -8.74 C 18.43 -8.98 C 17.86 -10.27 1 15 1 2 15 1 3 16 1 4 17 1 5 11 1 5 15 2 6 7 1 6 16 2 7 19 2 8 9 2 8 17 1 9 23 1 10 16 1 10 18 2 11 20 1 12 13 1 12 21 1 13 18 1 14 22 1 14 24 1 17 20 2 18 19 1 19 22 1 20 24 1 21 22 2 21 23 1 23 24 2', '24 27 C:26 14.77 -14.27 C:18 16.99 -15.25 O 11.33 -5.96 O 20.89 -12.40 C:121 16.72 -12.84 C:108 12.54 -8.04 C:121 13.75 -8.74 C:113 20.65 -9.98 C:116 19.82 -8.83 C:104 13.75 -5.96 C:23 18.12 -12.69 C:66 17.39 -6.65 O 16.16 -5.96 O 16.46 -10.12 C:135 16.16 -14.12 C:157 12.54 -6.65 C:152 20.07 -11.26 C:155 14.96 -6.65 C:110 14.96 -8.04 C:111 18.68 -11.41 C:106 17.39 -8.04 C:147 16.16 -8.74 C:119 18.43 -8.98 C:155 17.86 -10.27 1 15 1 2 15 1 3 16 1 4 17 1 5 11 1 5 15 2 6 7 1 6 16 2 7 19 2 8 9 2 8 17 1 9 23 1 10 16 1 10 18 2 11 20 1 12 13 1 12 21 1 13 18 1 14 22 1 14 24 1 17 20 2 18 19 1 19 22 1 20 24 1 21 22 2 21 23 1 23 24 2', 'C20H18O4', 322.212, 'C', 'ph63_597_3', 2716, '', '', '1', 1, NULL, NULL),
(10462, 'Erypoegin I', '', 'Flavonoids', 'Pterocarpanoids', '', '[H][C@@:11001]24O[c:10001]1[c:10]([CH2:101][C:102](=O)[CH:103]([CH3:105])[CH3:104])[c:9](O[CH3:9001])[cH:8][cH:7][c:6002]1[C@:6001]2(O)[CH2:6]O[c:4001]3[cH:4][c:3](O)[cH:2][cH:1][c:11002]34', '[H][C@@]24Oc1c(CC(=O)C(C)C)c(OC)ccc1[C@]2(O)COc3cc(O)ccc34', '[H][C@@:85]24O[c:159]1[c:107]([CH2:36][C:213](=O)[CH:40]([CH3:18])[CH3:18])[c:160](O[CH3:56])[cH:104][cH:122][c:120]1[C@:77]2(O)[CH2:70]O[c:156]3[cH:104][c:157](O)[cH:110][cH:132][c:113]34', '28 31 H 14.70 -9.00 C:9001 21.69 -12.28 C:105 16.41 -15.30 C:104 14.17 -14.34 O 15.27 -11.76 O 10.59 -5.90 O 17.99 -7.30 C:2 11.83 -7.99 C:8 20.09 -9.97 C:1 13.06 -8.70 C:7 19.25 -8.80 C:4 13.06 -5.90 C:101 17.53 -12.71 C:6 16.77 -6.59 O 20.30 -12.41 O 15.56 -5.90 O 15.81 -10.10 C:102 16.12 -12.87 C:3 11.83 -6.59 C:9 19.50 -11.27 C:4001 14.29 -6.59 C:10 18.08 -11.42 C:11002 14.29 -7.99 C:6002 17.83 -8.95 C:10001 17.24 -10.25 C:103 15.56 -14.17 C:11001 15.56 -8.70 C:6001 16.77 -7.99 27 1 -2 2 15 1 3 26 1 4 26 1 5 18 2 6 19 1 28 7 -2 8 10 1 8 19 2 9 11 2 9 20 1 10 23 2 11 24 1 12 19 1 12 21 2 13 18 1 13 22 1 14 16 1 14 28 1 15 20 1 16 21 1 17 25 1 17 27 1 18 26 1 20 22 2 21 23 1 22 25 1 23 27 1 24 25 2 24 28 1 27 28 1', '28 31 H 14.70 -9.00 C 21.69 -12.28 C 16.41 -15.30 C 14.17 -14.34 O 15.27 -11.76 O 10.59 -5.90 O 17.99 -7.30 C 11.83 -7.99 C 20.09 -9.97 C 13.06 -8.70 C 19.25 -8.80 C 13.06 -5.90 C 17.53 -12.71 C 16.77 -6.59 O 20.30 -12.41 O 15.56 -5.90 O 15.81 -10.10 C 16.12 -12.87 C 11.83 -6.59 C 19.50 -11.27 C 14.29 -6.59 C 18.08 -11.42 C 14.29 -7.99 C 17.83 -8.95 C 17.24 -10.25 C 15.56 -14.17 C 15.56 -8.70 C 16.77 -7.99 27 1 -2 2 15 1 3 26 1 4 26 1 5 18 2 6 19 1 28 7 -2 8 10 1 8 19 2 9 11 2 9 20 1 10 23 2 11 24 1 12 19 1 12 21 2 13 18 1 13 22 1 14 16 1 14 28 1 15 20 1 16 21 1 17 25 1 17 27 1 18 26 1 20 22 2 21 23 1 22 25 1 23 27 1 24 25 2 24 28 1 27 28 1', '28 31 H 14.70 -9.00 C:56 21.69 -12.28 C:18 16.41 -15.30 C:18 14.17 -14.34 O 15.27 -11.76 O 10.59 -5.90 O 17.99 -7.30 C:110 11.83 -7.99 C:104 20.09 -9.97 C:132 13.06 -8.70 C:122 19.25 -8.80 C:104 13.06 -5.90 C:36 17.53 -12.71 C:70 16.77 -6.59 O 20.30 -12.41 O 15.56 -5.90 O 15.81 -10.10 C:213 16.12 -12.87 C:157 11.83 -6.59 C:160 19.50 -11.27 C:156 14.29 -6.59 C:107 18.08 -11.42 C:113 14.29 -7.99 C:120 17.83 -8.95 C:159 17.24 -10.25 C:40 15.56 -14.17 C:85 15.56 -8.70 C:77 16.77 -7.99 27 1 -2 2 15 1 3 26 1 4 26 1 5 18 2 6 19 1 28 7 -2 8 10 1 8 19 2 9 11 2 9 20 1 10 23 2 11 24 1 12 19 1 12 21 2 13 18 1 13 22 1 14 16 1 14 28 1 15 20 1 16 21 1 17 25 1 17 27 1 18 26 1 20 22 2 21 23 1 22 25 1 23 27 1 24 25 2 24 28 1 27 28 1', 'C21H22O6', 370.229, 'C', 'ph63_597_4', 2716, '', '', '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
(10463, 'Erypoegin J', '', 'Flavonoids', 'Pterocarpanoids', '', '[H][C@@:11001]25O[c:10001]1[c:6002]([cH:7][cH:8][c:9](O[CH3:9001])[c:10]1[CH2:201][C:202](=O)[CH:203]([CH3:205])[CH3:204])[C@:6001]2(O)[CH2:6]O[c:4001]4[cH:4][c:3]3O[C:102]([CH3:105])([CH3:106])[CH:103]=[CH:104][c:2]3[cH:1][c:11002]45', '[H][C@@]25Oc1c(ccc(OC)c1CC(=O)C(C)C)[C@]2(O)COc4cc3OC(C)(C)C=Cc3cc45', '[H][C@@:85]25O[c:159]1[c:121]([cH:121][cH:104][c:160](O[CH3:56])[c:114]1[CH2:23][C:122](=O)[CH:132]([CH3:26])[CH3:18])[C@:77]2(O)[CH2:70]O[c:156]4[cH:105][c:155]3O[C:77]([CH3:28])([CH3:28])[CH:129]=[CH:122][c:117]3[cH:129][c:113]45', '33 37 H 15.99 -9.27 C:9001 22.96 -12.55 C:205 17.69 -15.56 C:204 15.44 -14.61 C:105 9.98 -5.63 C:106 9.28 -6.86 O 16.56 -12.03 O 19.27 -7.57 C:104 11.89 -8.97 C:103 10.68 -8.27 C:8 21.36 -10.23 C:7 20.52 -9.07 C:4 14.33 -6.16 C:1 14.33 -8.97 C:201 18.81 -12.98 C:6 18.05 -6.86 O 21.57 -12.68 O 16.85 -6.16 O 11.89 -6.16 O 17.09 -10.36 C:202 17.40 -13.14 C:2 13.10 -8.27 C:9 20.77 -11.55 C:3 13.10 -6.86 C:4001 15.56 -6.86 C:11002 15.56 -8.27 C:6002 19.11 -9.27 C:10 19.36 -11.70 C:10001 18.52 -10.51 C:203 16.85 -14.44 C:102 10.68 -6.86 C:11001 16.85 -8.97 C:6001 18.05 -8.27 32 1 -2 2 17 1 3 30 1 4 30 1 5 31 1 6 31 1 7 21 2 33 8 -2 9 10 2 9 22 1 10 31 1 11 12 2 11 23 1 12 27 1 13 24 1 13 25 2 14 22 1 14 26 2 15 21 1 15 28 1 16 18 1 16 33 1 17 23 1 18 25 1 19 24 1 19 31 1 20 29 1 20 32 1 21 30 1 22 24 2 23 28 2 25 26 1 26 32 1 27 29 2 27 33 1 28 29 1 32 33 1', '33 37 H 15.99 -9.27 C 22.96 -12.55 C 17.69 -15.56 C 15.44 -14.61 C 9.98 -5.63 C 9.28 -6.86 O 16.56 -12.03 O 19.27 -7.57 C 11.89 -8.97 C 10.68 -8.27 C 21.36 -10.23 C 20.52 -9.07 C 14.33 -6.16 C 14.33 -8.97 C 18.81 -12.98 C 18.05 -6.86 O 21.57 -12.68 O 16.85 -6.16 O 11.89 -6.16 O 17.09 -10.36 C 17.40 -13.14 C 13.10 -8.27 C 20.77 -11.55 C 13.10 -6.86 C 15.56 -6.86 C 15.56 -8.27 C 19.11 -9.27 C 19.36 -11.70 C 18.52 -10.51 C 16.85 -14.44 C 10.68 -6.86 C 16.85 -8.97 C 18.05 -8.27 32 1 -2 2 17 1 3 30 1 4 30 1 5 31 1 6 31 1 7 21 2 33 8 -2 9 10 2 9 22 1 10 31 1 11 12 2 11 23 1 12 27 1 13 24 1 13 25 2 14 22 1 14 26 2 15 21 1 15 28 1 16 18 1 16 33 1 17 23 1 18 25 1 19 24 1 19 31 1 20 29 1 20 32 1 21 30 1 22 24 2 23 28 2 25 26 1 26 32 1 27 29 2 27 33 1 28 29 1 32 33 1', '33 37 H 15.99 -9.27 C:56 22.96 -12.55 C:26 17.69 -15.56 C:18 15.44 -14.61 C:28 9.98 -5.63 C:28 9.28 -6.86 O 16.56 -12.03 O 19.27 -7.57 C:122 11.89 -8.97 C:129 10.68 -8.27 C:104 21.36 -10.23 C:121 20.52 -9.07 C:105 14.33 -6.16 C:129 14.33 -8.97 C:23 18.81 -12.98 C:70 18.05 -6.86 O 21.57 -12.68 O 16.85 -6.16 O 11.89 -6.16 O 17.09 -10.36 C:122 17.40 -13.14 C:117 13.10 -8.27 C:160 20.77 -11.55 C:155 13.10 -6.86 C:156 15.56 -6.86 C:113 15.56 -8.27 C:121 19.11 -9.27 C:114 19.36 -11.70 C:159 18.52 -10.51 C:132 16.85 -14.44 C:77 10.68 -6.86 C:85 16.85 -8.97 C:77 18.05 -8.27 32 1 -2 2 17 1 3 30 1 4 30 1 5 31 1 6 31 1 7 21 2 33 8 -2 9 10 2 9 22 1 10 31 1 11 12 2 11 23 1 12 27 1 13 24 1 13 25 2 14 22 1 14 26 2 15 21 1 15 28 1 16 18 1 16 33 1 17 23 1 18 25 1 19 24 1 19 31 1 20 29 1 20 32 1 21 30 1 22 24 2 23 28 2 25 26 1 26 32 1 27 29 2 27 33 1 28 29 1 32 33 1', 'C26H28O6', 436.283, 'C', 'ph63_597_5', 2716, '', '', '1', 1, NULL, NULL),
(10464, 'Uncinanone A', '5,7,2'',4''-Tetrahydroxy-6-(3-methylbut-2-enyl)isoflavanone', 'Flavonoids', 'Isoflavonoids', 'Isoflavanones', '[CH3:204][C:203]([CH3:205])=[CH:202][CH2:201][c:6]3[c:7](O)[cH:8][c:9]2O[CH2:2][CH: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', 'CC(C)=CCc3c(O)cc2OCC(c1ccc(O)cc1O)C(=O)c2c3O', '[CH3:18][C:136]([CH3:26])=[CH:121][CH2:21][c:107]3[c:165](O)[cH:96][c:161]2O[CH2:69][CH:45]([c:115]1[cH:128][cH:108][c:157](O)[cH:105][c:156]1O)[C:197](=O)[c:102]2[c:162]3O', '26 28 C:204 9.45 -11.62 C:205 10.66 -13.73 O 16.71 -11.62 O 22.78 -12.32 O 11.87 -7.42 O 20.35 -8.12 O 14.28 -11.62 C:202 11.87 -11.62 C:105 20.35 -12.32 C:106 19.14 -11.62 C:103 21.56 -10.22 C:8 14.28 -7.42 C:201 11.87 -10.22 C:2 17.94 -8.12 O 16.71 -7.42 C:203 10.66 -12.32 C:4 16.71 -10.22 C:104 21.56 -11.62 C:7 13.08 -8.12 C:102 20.35 -9.52 C:5 14.28 -10.22 C:9 15.53 -8.12 C:6 13.08 -9.52 C:101 19.14 -10.22 C:10 15.53 -9.52 C:3 17.94 -9.52 1 16 1 2 16 1 3 17 2 4 18 1 5 19 1 6 20 1 7 21 1 8 13 1 8 16 2 9 10 1 9 18 2 10 24 2 11 18 1 11 20 2 12 19 2 12 22 1 13 23 1 14 15 1 14 26 1 15 22 1 17 25 1 17 26 1 19 23 1 20 24 1 21 23 2 21 25 1 22 25 2 24 26 1', '26 28 C 9.45 -11.62 C 10.66 -13.73 O 16.71 -11.62 O 22.78 -12.32 O 11.87 -7.42 O 20.35 -8.12 O 14.28 -11.62 C 11.87 -11.62 C 20.35 -12.32 C 19.14 -11.62 C 21.56 -10.22 C 14.28 -7.42 C 11.87 -10.22 C 17.94 -8.12 O 16.71 -7.42 C 10.66 -12.32 C 16.71 -10.22 C 21.56 -11.62 C 13.08 -8.12 C 20.35 -9.52 C 14.28 -10.22 C 15.53 -8.12 C 13.08 -9.52 C 19.14 -10.22 C 15.53 -9.52 C 17.94 -9.52 1 16 1 2 16 1 3 17 2 4 18 1 5 19 1 6 20 1 7 21 1 8 13 1 8 16 2 9 10 1 9 18 2 10 24 2 11 18 1 11 20 2 12 19 2 12 22 1 13 23 1 14 15 1 14 26 1 15 22 1 17 25 1 17 26 1 19 23 1 20 24 1 21 23 2 21 25 1 22 25 2 24 26 1', '26 28 C:18 9.45 -11.62 C:26 10.66 -13.73 O 16.71 -11.62 O 22.78 -12.32 O 11.87 -7.42 O 20.35 -8.12 O 14.28 -11.62 C:121 11.87 -11.62 C:108 20.35 -12.32 C:128 19.14 -11.62 C:105 21.56 -10.22 C:96 14.28 -7.42 C:21 11.87 -10.22 C:69 17.94 -8.12 O 16.71 -7.42 C:136 10.66 -12.32 C:197 16.71 -10.22 C:157 21.56 -11.62 C:165 13.08 -8.12 C:156 20.35 -9.52 C:162 14.28 -10.22 C:161 15.53 -8.12 C:107 13.08 -9.52 C:115 19.14 -10.22 C:102 15.53 -9.52 C:45 17.94 -9.52 1 16 1 2 16 1 3 17 2 4 18 1 5 19 1 6 20 1 7 21 1 8 13 1 8 16 2 9 10 1 9 18 2 10 24 2 11 18 1 11 20 2 12 19 2 12 22 1 13 23 1 14 15 1 14 26 1 15 22 1 17 25 1 17 26 1 19 23 1 20 24 1 21 23 2 21 25 1 22 25 2 24 26 1', 'C20H20O6', 356.21, 'C', 'ph64_265_1', 2717, '', '', '1', 1, NULL, NULL),
(10465, 'Uncinanone B', '4'''',5''''-Dihydro-5,2'',4''-trihydroxy-5''''-isopropenylfurano-(2'''',3'''';7,6)-isoflavanone', 'Flavonoids', 'Isoflavonoids', 'Isoflavanones', '[CH2:205]=[C:204]([CH3:206])[CH:202]4[CH2:203][c:6]3[c:5](O)[c:10]2[C:4](=O)[CH:3]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O)[CH2:2]O[c:9]2[cH:8][c:7]3O4', 'C=C(C)C4Cc3c(O)c2C(=O)C(c1ccc(O)cc1O)COc2cc3O4', '[CH2:114]=[C:143]([CH3:17])[CH:89]4[CH2:30][c:107]3[c:160](O)[c:102]2[C:197](=O)[CH:45]([c:116]1[cH:129][cH:109][c:157](O)[cH:106][c:157]1O)[CH2:70]O[c:164]2[cH:91][c:170]3O4', '26 29 C:205 9.16 -8.34 C:206 9.16 -10.76 O 17.05 -12.35 O 23.11 -13.05 O 20.69 -8.85 O 14.62 -12.35 C:105 20.69 -13.05 C:106 19.48 -12.35 C:103 21.90 -10.95 C:8 14.62 -8.15 C:2 18.28 -8.85 C:203 12.09 -10.68 O 17.05 -8.15 O 12.09 -8.42 C:204 9.86 -9.55 C:4 17.05 -10.95 C:104 21.90 -12.35 C:102 20.69 -10.25 C:5 14.62 -10.95 C:9 15.87 -8.85 C:7 13.42 -8.85 C:6 13.42 -10.25 C:101 19.48 -10.95 C:10 15.87 -10.25 C:202 11.26 -9.55 C:3 18.28 -10.25 1 15 2 2 15 1 3 16 2 4 17 1 5 18 1 6 19 1 7 8 1 7 17 2 8 23 2 9 17 1 9 18 2 10 20 1 10 21 2 11 13 1 11 26 1 12 22 1 12 25 1 13 20 1 14 21 1 14 25 1 15 25 1 16 24 1 16 26 1 18 23 1 19 22 2 19 24 1 20 24 2 21 22 1 23 26 1', '26 29 C 9.16 -8.34 C 9.16 -10.76 O 17.05 -12.35 O 23.11 -13.05 O 20.69 -8.85 O 14.62 -12.35 C 20.69 -13.05 C 19.48 -12.35 C 21.90 -10.95 C 14.62 -8.15 C 18.28 -8.85 C 12.09 -10.68 O 17.05 -8.15 O 12.09 -8.42 C 9.86 -9.55 C 17.05 -10.95 C 21.90 -12.35 C 20.69 -10.25 C 14.62 -10.95 C 15.87 -8.85 C 13.42 -8.85 C 13.42 -10.25 C 19.48 -10.95 C 15.87 -10.25 C 11.26 -9.55 C 18.28 -10.25 1 15 2 2 15 1 3 16 2 4 17 1 5 18 1 6 19 1 7 8 1 7 17 2 8 23 2 9 17 1 9 18 2 10 20 1 10 21 2 11 13 1 11 26 1 12 22 1 12 25 1 13 20 1 14 21 1 14 25 1 15 25 1 16 24 1 16 26 1 18 23 1 19 22 2 19 24 1 20 24 2 21 22 1 23 26 1', '26 29 C:114 9.16 -8.34 C:17 9.16 -10.76 O 17.05 -12.35 O 23.11 -13.05 O 20.69 -8.85 O 14.62 -12.35 C:109 20.69 -13.05 C:129 19.48 -12.35 C:106 21.90 -10.95 C:91 14.62 -8.15 C:70 18.28 -8.85 C:30 12.09 -10.68 O 17.05 -8.15 O 12.09 -8.42 C:143 9.86 -9.55 C:197 17.05 -10.95 C:157 21.90 -12.35 C:157 20.69 -10.25 C:160 14.62 -10.95 C:164 15.87 -8.85 C:170 13.42 -8.85 C:107 13.42 -10.25 C:116 19.48 -10.95 C:102 15.87 -10.25 C:89 11.26 -9.55 C:45 18.28 -10.25 1 15 2 2 15 1 3 16 2 4 17 1 5 18 1 6 19 1 7 8 1 7 17 2 8 23 2 9 17 1 9 18 2 10 20 1 10 21 2 11 13 1 11 26 1 12 22 1 12 25 1 13 20 1 14 21 1 14 25 1 15 25 1 16 24 1 16 26 1 18 23 1 19 22 2 19 24 1 20 24 2 21 22 1 23 26 1', 'C20H18O6', 354.21, 'C', 'ph64_265_2', 2717, '', '', '1', 1, NULL, NULL),
(10466, 'Uncinanone C', '4'''',5''''-Dihydro-2''-methoxy-5,4''-dihydroxy-5''''-isopropenylfurano-(2'''',3'''',7,6)-isoflavanone', 'Flavonoids', 'Isoflavonoids', 'Isoflavanones', '[CH2:205]=[C:204]([CH3:206])[CH:202]4[CH2:203][c:6]3[c:5](O)[c:10]2[C:4](=O)[CH:3]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O[CH3:102001])[CH2:2]O[c:9]2[cH:8][c:7]3O4', 'C=C(C)C4Cc3c(O)c2C(=O)C(c1ccc(O)cc1OC)COc2cc3O4', '[CH2:113]=[C:144]([CH3:17])[CH:89]4[CH2:31][c:106]3[c:160](O)[c:105]2[C:198](=O)[CH:47]([c:115]1[cH:131][cH:108][c:158](O)[cH:100][c:159]1O[CH3:56])[CH2:70]O[c:165]2[cH:91][c:169]3O4', '27 30 C:205 9.16 -8.34 C:102001 21.90 -8.15 C:206 9.16 -10.76 O 17.04 -12.35 O 23.11 -13.04 O 14.61 -12.35 C:105 20.68 -13.04 C:106 19.47 -12.35 C:103 21.90 -10.95 C:8 14.61 -8.15 C:2 18.27 -8.85 C:203 12.09 -10.68 O 20.68 -8.85 O 17.04 -8.15 O 12.09 -8.42 C:204 9.86 -9.55 C:4 17.04 -10.95 C:104 21.90 -12.35 C:5 14.61 -10.95 C:102 20.68 -10.25 C:9 15.86 -8.85 C:7 13.41 -8.85 C:6 13.41 -10.25 C:101 19.47 -10.95 C:10 15.86 -10.25 C:202 11.26 -9.55 C:3 18.27 -10.25 1 16 2 2 13 1 3 16 1 4 17 2 5 18 1 6 19 1 7 8 1 7 18 2 8 24 2 9 18 1 9 20 2 10 21 1 10 22 2 11 14 1 11 27 1 12 23 1 12 26 1 13 20 1 14 21 1 15 22 1 15 26 1 16 26 1 17 25 1 17 27 1 19 23 2 19 25 1 20 24 1 21 25 2 22 23 1 24 27 1', '27 30 C 9.16 -8.34 C 21.90 -8.15 C 9.16 -10.76 O 17.04 -12.35 O 23.11 -13.04 O 14.61 -12.35 C 20.68 -13.04 C 19.47 -12.35 C 21.90 -10.95 C 14.61 -8.15 C 18.27 -8.85 C 12.09 -10.68 O 20.68 -8.85 O 17.04 -8.15 O 12.09 -8.42 C 9.86 -9.55 C 17.04 -10.95 C 21.90 -12.35 C 14.61 -10.95 C 20.68 -10.25 C 15.86 -8.85 C 13.41 -8.85 C 13.41 -10.25 C 19.47 -10.95 C 15.86 -10.25 C 11.26 -9.55 C 18.27 -10.25 1 16 2 2 13 1 3 16 1 4 17 2 5 18 1 6 19 1 7 8 1 7 18 2 8 24 2 9 18 1 9 20 2 10 21 1 10 22 2 11 14 1 11 27 1 12 23 1 12 26 1 13 20 1 14 21 1 15 22 1 15 26 1 16 26 1 17 25 1 17 27 1 19 23 2 19 25 1 20 24 1 21 25 2 22 23 1 24 27 1', '27 30 C:113 9.16 -8.34 C:56 21.90 -8.15 C:17 9.16 -10.76 O 17.04 -12.35 O 23.11 -13.04 O 14.61 -12.35 C:108 20.68 -13.04 C:131 19.47 -12.35 C:100 21.90 -10.95 C:91 14.61 -8.15 C:70 18.27 -8.85 C:31 12.09 -10.68 O 20.68 -8.85 O 17.04 -8.15 O 12.09 -8.42 C:144 9.86 -9.55 C:198 17.04 -10.95 C:158 21.90 -12.35 C:160 14.61 -10.95 C:159 20.68 -10.25 C:165 15.86 -8.85 C:169 13.41 -8.85 C:106 13.41 -10.25 C:115 19.47 -10.95 C:105 15.86 -10.25 C:89 11.26 -9.55 C:47 18.27 -10.25 1 16 2 2 13 1 3 16 1 4 17 2 5 18 1 6 19 1 7 8 1 7 18 2 8 24 2 9 18 1 9 20 2 10 21 1 10 22 2 11 14 1 11 27 1 12 23 1 12 26 1 13 20 1 14 21 1 15 22 1 15 26 1 16 26 1 17 25 1 17 27 1 19 23 2 19 25 1 20 24 1 21 25 2 22 23 1 24 27 1', 'C21H20O6', 368.221, 'C', 'ph64_265_3', 2717, '', '', '1', 1, NULL, NULL),
(10467, 'Bitucarpin A', '5''-Deprenyldimethylerybraedin C', 'Flavonoids', 'Pterocarpanoids', '', '[H][C@@:6001]24[CH2:6]O[c:4001]1[c:11002]([cH:1][cH:2][c:3](O[CH3:3001])[c:4]1[CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[C@:11001]2([H])O[c:10001]3[cH:10][c:9](O[CH3:9001])[cH:8][cH:7][c:6002]34', '[H][C@@]24COc1c(ccc(OC)c1CC=C(C)C)[C@]2([H])Oc3cc(OC)ccc34', '[H][C@@:40]24[CH2:67]O[c:155]1[c:114]([cH:129][cH:105][c:159](O[CH3:57])[c:118]1[CH2:23][CH:123]=[C:132]([CH3:18])[CH3:27])[C@:80]2([H])O[c:162]3[cH:98][c:162](O[CH3:56])[cH:107][cH:125][c:120]34', '28 31 H 18.86 -10.48 H 16.06 -12.01 C:9001 21.07 -16.66 C:3001 10.59 -9.48 C:105 14.29 -4.51 C:104 16.73 -4.51 C:102 15.52 -6.62 C:8 21.44 -12.92 C:2 13.02 -10.90 C:7 20.57 -11.74 C:1 14.29 -11.64 C:10 19.40 -14.40 C:101 14.29 -7.32 C:6 18.06 -9.48 O 21.65 -15.39 O 11.80 -8.77 O 16.79 -8.77 O 17.10 -13.06 C:103 15.52 -5.22 C:9 20.84 -14.25 C:3 13.02 -9.48 C:10001 18.55 -13.23 C:6002 19.13 -11.89 C:11002 15.52 -10.90 C:4 14.29 -8.77 C:4001 15.52 -9.48 C:6001 18.06 -10.90 C:11001 16.79 -11.64 27 1 -2 28 2 -2 3 15 1 4 16 1 5 19 1 6 19 1 7 13 1 7 19 2 8 10 2 8 20 1 9 11 1 9 21 2 10 23 1 11 24 2 12 20 2 12 22 1 13 25 1 14 17 1 14 27 1 15 20 1 16 21 1 17 26 1 18 22 1 18 28 1 21 25 1 22 23 2 23 27 1 24 26 1 24 28 1 25 26 2 27 28 1', '28 31 H 18.86 -10.48 H 16.06 -12.01 C 21.07 -16.66 C 10.59 -9.48 C 14.29 -4.51 C 16.73 -4.51 C 15.52 -6.62 C 21.44 -12.92 C 13.02 -10.90 C 20.57 -11.74 C 14.29 -11.64 C 19.40 -14.40 C 14.29 -7.32 C 18.06 -9.48 O 21.65 -15.39 O 11.80 -8.77 O 16.79 -8.77 O 17.10 -13.06 C 15.52 -5.22 C 20.84 -14.25 C 13.02 -9.48 C 18.55 -13.23 C 19.13 -11.89 C 15.52 -10.90 C 14.29 -8.77 C 15.52 -9.48 C 18.06 -10.90 C 16.79 -11.64 27 1 -2 28 2 -2 3 15 1 4 16 1 5 19 1 6 19 1 7 13 1 7 19 2 8 10 2 8 20 1 9 11 1 9 21 2 10 23 1 11 24 2 12 20 2 12 22 1 13 25 1 14 17 1 14 27 1 15 20 1 16 21 1 17 26 1 18 22 1 18 28 1 21 25 1 22 23 2 23 27 1 24 26 1 24 28 1 25 26 2 27 28 1', '28 31 H 18.86 -10.48 H 16.06 -12.01 C:56 21.07 -16.66 C:57 10.59 -9.48 C:18 14.29 -4.51 C:27 16.73 -4.51 C:123 15.52 -6.62 C:107 21.44 -12.92 C:105 13.02 -10.90 C:125 20.57 -11.74 C:129 14.29 -11.64 C:98 19.40 -14.40 C:23 14.29 -7.32 C:67 18.06 -9.48 O 21.65 -15.39 O 11.80 -8.77 O 16.79 -8.77 O 17.10 -13.06 C:132 15.52 -5.22 C:162 20.84 -14.25 C:159 13.02 -9.48 C:162 18.55 -13.23 C:120 19.13 -11.89 C:114 15.52 -10.90 C:118 14.29 -8.77 C:155 15.52 -9.48 C:40 18.06 -10.90 C:80 16.79 -11.64 27 1 -2 28 2 -2 3 15 1 4 16 1 5 19 1 6 19 1 7 13 1 7 19 2 8 10 2 8 20 1 9 11 1 9 21 2 10 23 1 11 24 2 12 20 2 12 22 1 13 25 1 14 17 1 14 27 1 15 20 1 16 21 1 17 26 1 18 22 1 18 28 1 21 25 1 22 23 2 23 27 1 24 26 1 24 28 1 25 26 2 27 28 1', 'C22H24O4', 352.249, 'C', 'ph64_595_1b', 2718, '', '', '1', 1, NULL, NULL),
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(10478, 'Eryzerin E', '', 'Flavonoids', 'Pterocarpanoids', '', '[H][C@@:11001]24O[c:10001]1[c:10]([CH2:201][CH:202]=[C:203]([CH3:204])[CH3:205])[c:9](O[CH3:9001])[cH:8][cH:7][c:6002]1[C@:6001]2(O)[CH2:6]O[c:4001]3[c:4]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:3](O)[cH:2][cH:1][c:11002]34', '[H][C@@]24Oc1c(CC=C(C)C)c(OC)ccc1[C@]2(O)COc3c(CC=C(C)C)c(O)ccc34', '[H][C@@:85]24O[c:159]1[c:114]([CH2:23][CH:122]=[C:132]([CH3:18])[CH3:26])[c:160](O[CH3:56])[cH:104][cH:121][c:121]1[C@:77]2(O)[CH2:70]O[c:153]3[c:115]([CH2:22][CH:122]=[C:135]([CH3:26])[CH3:18])[c:156](O)[cH:110][cH:130][c:113]34', '32 35 H 14.79 -10.70 C:9001 21.70 -13.88 C:105 15.50 -3.28 C:104 13.03 -3.28 C:204 16.36 -16.87 C:205 18.56 -17.87 O 10.60 -7.50 O 17.97 -8.92 C:102 14.27 -5.37 C:202 18.33 -15.45 C:2 11.80 -9.61 C:8 20.10 -11.59 C:1 13.03 -10.33 C:7 19.24 -10.43 C:101 13.03 -6.07 C:201 17.51 -14.32 C:6 16.77 -8.19 O 20.31 -14.02 O 15.50 -7.50 O 15.81 -11.72 C:103 14.27 -3.98 C:203 17.75 -16.73 C:3 11.80 -8.19 C:9 19.51 -12.89 C:4 13.03 -7.50 C:10 18.09 -13.04 C:11002 14.27 -9.61 C:6002 17.82 -10.58 C:4001 14.27 -8.19 C:10001 17.25 -11.88 C:11001 15.50 -10.33 C:6001 16.77 -9.61 31 1 -2 2 18 1 3 21 1 4 21 1 5 22 1 6 22 1 7 23 1 32 8 -2 9 15 1 9 21 2 10 16 1 10 22 2 11 13 1 11 23 2 12 14 2 12 24 1 13 27 2 14 28 1 15 25 1 16 26 1 17 19 1 17 32 1 18 24 1 19 29 1 20 30 1 20 31 1 23 25 1 24 26 2 25 29 2 26 30 1 27 29 1 27 31 1 28 30 2 28 32 1 31 32 1', '32 35 H 14.79 -10.70 C 21.70 -13.88 C 15.50 -3.28 C 13.03 -3.28 C 16.36 -16.87 C 18.56 -17.87 O 10.60 -7.50 O 17.97 -8.92 C 14.27 -5.37 C 18.33 -15.45 C 11.80 -9.61 C 20.10 -11.59 C 13.03 -10.33 C 19.24 -10.43 C 13.03 -6.07 C 17.51 -14.32 C 16.77 -8.19 O 20.31 -14.02 O 15.50 -7.50 O 15.81 -11.72 C 14.27 -3.98 C 17.75 -16.73 C 11.80 -8.19 C 19.51 -12.89 C 13.03 -7.50 C 18.09 -13.04 C 14.27 -9.61 C 17.82 -10.58 C 14.27 -8.19 C 17.25 -11.88 C 15.50 -10.33 C 16.77 -9.61 31 1 -2 2 18 1 3 21 1 4 21 1 5 22 1 6 22 1 7 23 1 32 8 -2 9 15 1 9 21 2 10 16 1 10 22 2 11 13 1 11 23 2 12 14 2 12 24 1 13 27 2 14 28 1 15 25 1 16 26 1 17 19 1 17 32 1 18 24 1 19 29 1 20 30 1 20 31 1 23 25 1 24 26 2 25 29 2 26 30 1 27 29 1 27 31 1 28 30 2 28 32 1 31 32 1', '32 35 H 14.79 -10.70 C:56 21.70 -13.88 C:26 15.50 -3.28 C:18 13.03 -3.28 C:18 16.36 -16.87 C:26 18.56 -17.87 O 10.60 -7.50 O 17.97 -8.92 C:122 14.27 -5.37 C:122 18.33 -15.45 C:110 11.80 -9.61 C:104 20.10 -11.59 C:130 13.03 -10.33 C:121 19.24 -10.43 C:22 13.03 -6.07 C:23 17.51 -14.32 C:70 16.77 -8.19 O 20.31 -14.02 O 15.50 -7.50 O 15.81 -11.72 C:135 14.27 -3.98 C:132 17.75 -16.73 C:156 11.80 -8.19 C:160 19.51 -12.89 C:115 13.03 -7.50 C:114 18.09 -13.04 C:113 14.27 -9.61 C:121 17.82 -10.58 C:153 14.27 -8.19 C:159 17.25 -11.88 C:85 15.50 -10.33 C:77 16.77 -9.61 31 1 -2 2 18 1 3 21 1 4 21 1 5 22 1 6 22 1 7 23 1 32 8 -2 9 15 1 9 21 2 10 16 1 10 22 2 11 13 1 11 23 2 12 14 2 12 24 1 13 27 2 14 28 1 15 25 1 16 26 1 17 19 1 17 32 1 18 24 1 19 29 1 20 30 1 20 31 1 23 25 1 24 26 2 25 29 2 26 30 1 27 29 1 27 31 1 28 30 2 28 32 1 31 32 1', 'C26H30O5', 422.283, 'C', 'ph64_753_5', 2720, '', '129.5', '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
(10479, 'Usararotenoid C', '', 'Flavonoids', 'Rotenoids', '', '[H][C@@:6001]35[CH2:6]O[c:4001]2[cH:4][c:3]1O[CH2:2001]O[c:2]1[cH:1][c:1001]2[C@@:12001]3(O)[C:12](=O)[c:11001]4[cH:11][cH:10][c:9](O[CH3:9001])[c:8]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:7001]4O5', '[H][C@@]35COc2cc1OCOc1cc2[C@@]3(O)C(=O)c4ccc(OC)c(CC=C(C)C)c4O5', '[H][C@@:77]35[CH2:62]O[c:151]2[cH:99][c:149]1O[CH2:102]O[c:142]1[cH:110][c:111]2[C@@:67]3(O)[C:188](=O)[c:114]4[cH:128][cH:106][c:163](O[CH3:56])[c:117]([CH2:22][CH:122]=[C:132]([CH3:18])[CH3:26])[c:158]4O5', '31 35 H 17.44 -12.05 C:9001 10.11 -11.06 C:105 13.76 -15.95 C:104 11.34 -15.95 O 16.22 -7.51 O 17.44 -8.22 C:102 12.55 -13.85 C:10 12.55 -9.63 C:11 13.76 -8.92 C:4 21.12 -8.92 C:1 18.65 -7.51 C:101 13.76 -13.15 C:2001 21.59 -5.25 C:6 18.65 -11.75 O 11.34 -11.75 O 22.16 -6.55 O 20.18 -5.41 O 19.88 -11.06 O 16.22 -11.75 C:103 12.55 -15.25 C:12 16.22 -8.92 C:9 12.55 -11.06 C:3 21.12 -7.51 C:2 19.88 -6.80 C:4001 19.88 -9.63 C:11001 14.98 -9.63 C:1001 18.65 -8.92 C:8 13.76 -11.75 C:7001 14.98 -11.06 C:6001 17.44 -11.06 C:12001 17.44 -9.63 30 1 -2 2 15 1 3 20 1 4 20 1 5 21 2 31 6 -1 7 12 1 7 20 2 8 9 2 8 22 1 9 26 1 10 23 2 10 25 1 11 24 2 11 27 1 12 28 1 13 16 1 13 17 1 14 18 1 14 30 1 15 22 1 16 23 1 17 24 1 18 25 1 19 29 1 19 30 1 21 26 1 21 31 1 22 28 2 23 24 1 25 27 2 26 29 2 27 31 1 28 29 1 30 31 1', '31 35 H 17.44 -12.05 C 10.11 -11.06 C 13.76 -15.95 C 11.34 -15.95 O 16.22 -7.51 O 17.44 -8.22 C 12.55 -13.85 C 12.55 -9.63 C 13.76 -8.92 C 21.12 -8.92 C 18.65 -7.51 C 13.76 -13.15 C 21.59 -5.25 C 18.65 -11.75 O 11.34 -11.75 O 22.16 -6.55 O 20.18 -5.41 O 19.88 -11.06 O 16.22 -11.75 C 12.55 -15.25 C 16.22 -8.92 C 12.55 -11.06 C 21.12 -7.51 C 19.88 -6.80 C 19.88 -9.63 C 14.98 -9.63 C 18.65 -8.92 C 13.76 -11.75 C 14.98 -11.06 C 17.44 -11.06 C 17.44 -9.63 30 1 -2 2 15 1 3 20 1 4 20 1 5 21 2 31 6 -1 7 12 1 7 20 2 8 9 2 8 22 1 9 26 1 10 23 2 10 25 1 11 24 2 11 27 1 12 28 1 13 16 1 13 17 1 14 18 1 14 30 1 15 22 1 16 23 1 17 24 1 18 25 1 19 29 1 19 30 1 21 26 1 21 31 1 22 28 2 23 24 1 25 27 2 26 29 2 27 31 1 28 29 1 30 31 1', '31 35 H 17.44 -12.05 C:56 10.11 -11.06 C:18 13.76 -15.95 C:26 11.34 -15.95 O 16.22 -7.51 O 17.44 -8.22 C:122 12.55 -13.85 C:106 12.55 -9.63 C:128 13.76 -8.92 C:99 21.12 -8.92 C:110 18.65 -7.51 C:22 13.76 -13.15 C:102 21.59 -5.25 C:62 18.65 -11.75 O 11.34 -11.75 O 22.16 -6.55 O 20.18 -5.41 O 19.88 -11.06 O 16.22 -11.75 C:132 12.55 -15.25 C:188 16.22 -8.92 C:163 12.55 -11.06 C:149 21.12 -7.51 C:142 19.88 -6.80 C:151 19.88 -9.63 C:114 14.98 -9.63 C:111 18.65 -8.92 C:117 13.76 -11.75 C:158 14.98 -11.06 C:77 17.44 -11.06 C:67 17.44 -9.63 30 1 -2 2 15 1 3 20 1 4 20 1 5 21 2 31 6 -1 7 12 1 7 20 2 8 9 2 8 22 1 9 26 1 10 23 2 10 25 1 11 24 2 11 27 1 12 28 1 13 16 1 13 17 1 14 18 1 14 30 1 15 22 1 16 23 1 17 24 1 18 25 1 19 29 1 19 30 1 21 26 1 21 31 1 22 28 2 23 24 1 25 27 2 26 29 2 27 31 1 28 29 1 30 31 1', 'C23H22O7', 410.25, 'C', 'ph64_773_1', 2721, '', '', '1', 1, NULL, NULL),
(10480, 'Olibergin A', '', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:105001]O[c:105]3[cH:106][c:101]([c:3]2[cH:2]o[c:9]1[cH:8][c:7](O)[cH:6][c:5](O)[c:10]1[c:4]2=O)[c:102](O[CH3:102001])[cH:103][c:104]3O', 'COc3cc(c2coc1cc(O)cc(O)c1c2=O)c(OC)cc3O', '[CH3:57]O[c:142]3[cH:117][c:111]([c:122]2[cH:156]o[c:159]1[cH:95][c:165](O)[cH:100][c:164](O)[c:106]1[c:182]2=O)[c:154](O[CH3:57])[cH:101][c:149]3O', '24 26 C:105001 17.94 -14.07 C:102001 20.38 -7.09 O 15.52 -11.29 O 10.70 -7.09 O 21.60 -12.00 O 13.10 -11.29 C:2 16.76 -7.79 C:6 11.91 -9.20 C:103 20.38 -9.90 C:106 17.94 -11.29 C:8 13.10 -7.09 O 19.15 -13.40 O 19.15 -7.79 O 15.52 -7.09 C:7 11.91 -7.79 C:104 20.38 -11.29 C:5 13.10 -9.90 C:105 19.15 -12.00 C:102 19.15 -9.20 C:101 17.94 -9.90 C:3 16.76 -9.20 C:4 15.52 -9.90 C:9 14.34 -7.79 C:10 14.34 -9.20 1 12 1 2 13 1 3 22 2 4 15 1 5 16 1 6 17 1 7 14 1 7 21 2 8 15 1 8 17 2 9 16 1 9 19 2 10 18 1 10 20 2 11 15 2 11 23 1 12 18 1 13 19 1 14 23 1 16 18 2 17 24 1 19 20 1 20 21 1 21 22 1 22 24 1 23 24 2', '24 26 C 17.94 -14.07 C 20.38 -7.09 O 15.52 -11.29 O 10.70 -7.09 O 21.60 -12.00 O 13.10 -11.29 C 16.76 -7.79 C 11.91 -9.20 C 20.38 -9.90 C 17.94 -11.29 C 13.10 -7.09 O 19.15 -13.40 O 19.15 -7.79 O 15.52 -7.09 C 11.91 -7.79 C 20.38 -11.29 C 13.10 -9.90 C 19.15 -12.00 C 19.15 -9.20 C 17.94 -9.90 C 16.76 -9.20 C 15.52 -9.90 C 14.34 -7.79 C 14.34 -9.20 1 12 1 2 13 1 3 22 2 4 15 1 5 16 1 6 17 1 7 14 1 7 21 2 8 15 1 8 17 2 9 16 1 9 19 2 10 18 1 10 20 2 11 15 2 11 23 1 12 18 1 13 19 1 14 23 1 16 18 2 17 24 1 19 20 1 20 21 1 21 22 1 22 24 1 23 24 2', '24 26 C:57 17.94 -14.07 C:57 20.38 -7.09 O 15.52 -11.29 O 10.70 -7.09 O 21.60 -12.00 O 13.10 -11.29 C:156 16.76 -7.79 C:100 11.91 -9.20 C:101 20.38 -9.90 C:117 17.94 -11.29 C:95 13.10 -7.09 O 19.15 -13.40 O 19.15 -7.79 O 15.52 -7.09 C:165 11.91 -7.79 C:149 20.38 -11.29 C:164 13.10 -9.90 C:142 19.15 -12.00 C:154 19.15 -9.20 C:111 17.94 -9.90 C:122 16.76 -9.20 C:182 15.52 -9.90 C:159 14.34 -7.79 C:106 14.34 -9.20 1 12 1 2 13 1 3 22 2 4 15 1 5 16 1 6 17 1 7 14 1 7 21 2 8 15 1 8 17 2 9 16 1 9 19 2 10 18 1 10 20 2 11 15 2 11 23 1 12 18 1 13 19 1 14 23 1 16 18 2 17 24 1 19 20 1 20 21 1 21 22 1 22 24 1 23 24 2', 'C17H14O7', 330.178, 'C', 'ph64_1265_1', 2722, '', '', '1', 1, NULL, NULL),
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(10497, 'Kraussianone', '3,5-Dihydroxy-7-(7-hydroxy-2,2-dimethyl-2H-chromene-6-yl)-2,2-dimethyl-3,4-dihydro2H,6H-pyrano[3,2-g]chromen-6-one', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH3:305][C:302]5([CH3:306])[CH:303]=[CH:304][c:105]4[cH:106][c:101]([c:3]3[cH:2]o[c:9]2[cH:8][c:7]1O[C:202]([CH3:205])([CH3:206])[CH:203](O)[CH2:204][c:6]1[c:5](O)[c:10]2[c:4]3=O)[c:102](O)[cH:103][c:104]4O5', 'CC5(C)C=Cc4cc(c3coc2cc1OC(C)(C)C(O)Cc1c(O)c2c3=O)c(O)cc4O5', '[CH3:28][C:78]5([CH3:28])[CH:129]=[CH:122][c:116]4[cH:127][c:112]([c:123]3[cH:155]o[c:156]2[cH:95][c:160]1O[C:79]([CH3:25])([CH3:22])[CH:69](O)[CH2:26][c:104]1[c:160](O)[c:105]2[c:182]3=O)[c:157](O)[cH:108][c:156]4O5', '32 36 C:305 22.87 -14.61 C:306 23.57 -13.44 C:205 9.33 -6.61 C:206 8.63 -7.84 O 16.10 -11.33 O 19.76 -7.84 O 13.65 -11.33 O 8.81 -9.91 C:304 19.76 -13.44 C:303 20.98 -14.12 C:2 17.34 -7.84 C:103 20.98 -9.91 C:106 18.55 -11.33 C:8 13.65 -7.13 C:204 11.23 -9.91 O 22.17 -12.03 O 11.23 -7.13 O 16.10 -7.13 C:102 19.76 -9.23 C:105 19.76 -12.03 C:5 13.65 -9.91 C:104 20.98 -11.33 C:7 12.44 -7.84 C:101 18.55 -9.91 C:6 12.44 -9.23 C:3 17.34 -9.23 C:4 16.10 -9.91 C:9 14.90 -7.84 C:10 14.90 -9.23 C:203 10.02 -9.23 C:302 22.17 -13.44 C:202 10.02 -7.84 1 31 1 2 31 1 3 32 1 4 32 1 5 27 2 6 19 1 7 21 1 8 30 1 9 10 2 9 20 1 10 31 1 11 18 1 11 26 2 12 19 2 12 22 1 13 20 1 13 24 2 14 23 2 14 28 1 15 25 1 15 30 1 16 22 1 16 31 1 17 23 1 17 32 1 18 28 1 19 24 1 20 22 2 21 25 2 21 29 1 23 25 1 24 26 1 26 27 1 27 29 1 28 29 2 30 32 1', '32 36 C 22.87 -14.61 C 23.57 -13.44 C 9.33 -6.61 C 8.63 -7.84 O 16.10 -11.33 O 19.76 -7.84 O 13.65 -11.33 O 8.81 -9.91 C 19.76 -13.44 C 20.98 -14.12 C 17.34 -7.84 C 20.98 -9.91 C 18.55 -11.33 C 13.65 -7.13 C 11.23 -9.91 O 22.17 -12.03 O 11.23 -7.13 O 16.10 -7.13 C 19.76 -9.23 C 19.76 -12.03 C 13.65 -9.91 C 20.98 -11.33 C 12.44 -7.84 C 18.55 -9.91 C 12.44 -9.23 C 17.34 -9.23 C 16.10 -9.91 C 14.90 -7.84 C 14.90 -9.23 C 10.02 -9.23 C 22.17 -13.44 C 10.02 -7.84 1 31 1 2 31 1 3 32 1 4 32 1 5 27 2 6 19 1 7 21 1 8 30 1 9 10 2 9 20 1 10 31 1 11 18 1 11 26 2 12 19 2 12 22 1 13 20 1 13 24 2 14 23 2 14 28 1 15 25 1 15 30 1 16 22 1 16 31 1 17 23 1 17 32 1 18 28 1 19 24 1 20 22 2 21 25 2 21 29 1 23 25 1 24 26 1 26 27 1 27 29 1 28 29 2 30 32 1', '32 36 C:28 22.87 -14.61 C:28 23.57 -13.44 C:25 9.33 -6.61 C:22 8.63 -7.84 O 16.10 -11.33 O 19.76 -7.84 O 13.65 -11.33 O 8.81 -9.91 C:122 19.76 -13.44 C:129 20.98 -14.12 C:155 17.34 -7.84 C:108 20.98 -9.91 C:127 18.55 -11.33 C:95 13.65 -7.13 C:26 11.23 -9.91 O 22.17 -12.03 O 11.23 -7.13 O 16.10 -7.13 C:157 19.76 -9.23 C:116 19.76 -12.03 C:160 13.65 -9.91 C:156 20.98 -11.33 C:160 12.44 -7.84 C:112 18.55 -9.91 C:104 12.44 -9.23 C:123 17.34 -9.23 C:182 16.10 -9.91 C:156 14.90 -7.84 C:105 14.90 -9.23 C:69 10.02 -9.23 C:78 22.17 -13.44 C:79 10.02 -7.84 1 31 1 2 31 1 3 32 1 4 32 1 5 27 2 6 19 1 7 21 1 8 30 1 9 10 2 9 20 1 10 31 1 11 18 1 11 26 2 12 19 2 12 22 1 13 20 1 13 24 2 14 23 2 14 28 1 15 25 1 15 30 1 16 22 1 16 31 1 17 23 1 17 32 1 18 28 1 19 24 1 20 22 2 21 25 2 21 29 1 23 25 1 24 26 1 26 27 1 27 29 1 28 29 2 30 32 1', 'C25H24O7', 436.263, 'C', 'ph65_1955_6', 2729, '', '', '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
(10498, 'Kraussianone', '5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethyl-2H-chromene-6-yl)-6-(2-hydroxy-3-methyl-3butenyl)-4H-chromen-4-one', 'Flavonoids', 'Isoflavonoids', 'Isoflavones', '[CH2:205]=[C:203]([CH3:204])[CH:202](O)[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]([CH3:305])([CH3:306])O[c:104]1[cH:103][c:102]2O)[c:4](=O)[c:10]3[c:5]4O', 'C=C(C)C(O)Cc4c(O)cc3occ(c2cc1C=CC(C)(C)Oc1cc2O)c(=O)c3c4O', '[CH2:113]=[C:143]([CH3:17])[CH:89](O)[CH2:31][c:112]4[c:167](O)[cH:89][c:156]3o[cH:155][c:122]([c:110]2[cH:127][c:116]1[CH:121]=[CH:129][C:77]([CH3:28])([CH3:28])O[c:157]1[cH:107][c:158]2O)[c:182](=O)[c:106]3[c:157]4O', '32 35 C:205 9.98 -13.13 C:204 8.76 -11.05 C:305 22.78 -14.29 C:306 23.49 -13.13 O 16.01 -11.05 O 19.66 -7.51 O 11.19 -6.83 O 13.55 -11.05 O 12.36 -11.74 C:304 19.66 -13.13 C:303 20.89 -13.83 C:2 17.24 -7.51 C:103 20.89 -9.62 C:106 18.45 -11.05 C:8 13.55 -6.83 C:201 11.19 -9.62 O 22.08 -11.74 O 16.01 -6.83 C:203 9.98 -11.74 C:102 19.66 -8.91 C:7 12.36 -7.51 C:105 19.66 -11.74 C:104 20.89 -11.05 C:5 13.55 -9.62 C:101 18.45 -9.62 C:3 17.24 -8.91 C:6 12.36 -8.91 C:4 16.01 -9.62 C:9 14.81 -7.51 C:10 14.81 -8.91 C:202 11.19 -11.05 C:302 22.08 -13.13 1 19 2 2 19 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 24 1 9 31 1 10 11 2 10 22 1 11 32 1 12 18 1 12 26 2 13 20 2 13 23 1 14 22 1 14 25 2 15 21 2 15 29 1 16 27 1 16 31 1 17 23 1 17 32 1 18 29 1 19 31 1 20 25 1 21 27 1 22 23 2 24 27 2 24 30 1 25 26 1 26 28 1 28 30 1 29 30 2', '32 35 C 9.98 -13.13 C 8.76 -11.05 C 22.78 -14.29 C 23.49 -13.13 O 16.01 -11.05 O 19.66 -7.51 O 11.19 -6.83 O 13.55 -11.05 O 12.36 -11.74 C 19.66 -13.13 C 20.89 -13.83 C 17.24 -7.51 C 20.89 -9.62 C 18.45 -11.05 C 13.55 -6.83 C 11.19 -9.62 O 22.08 -11.74 O 16.01 -6.83 C 9.98 -11.74 C 19.66 -8.91 C 12.36 -7.51 C 19.66 -11.74 C 20.89 -11.05 C 13.55 -9.62 C 18.45 -9.62 C 17.24 -8.91 C 12.36 -8.91 C 16.01 -9.62 C 14.81 -7.51 C 14.81 -8.91 C 11.19 -11.05 C 22.08 -13.13 1 19 2 2 19 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 24 1 9 31 1 10 11 2 10 22 1 11 32 1 12 18 1 12 26 2 13 20 2 13 23 1 14 22 1 14 25 2 15 21 2 15 29 1 16 27 1 16 31 1 17 23 1 17 32 1 18 29 1 19 31 1 20 25 1 21 27 1 22 23 2 24 27 2 24 30 1 25 26 1 26 28 1 28 30 1 29 30 2', '32 35 C:113 9.98 -13.13 C:17 8.76 -11.05 C:28 22.78 -14.29 C:28 23.49 -13.13 O 16.01 -11.05 O 19.66 -7.51 O 11.19 -6.83 O 13.55 -11.05 O 12.36 -11.74 C:121 19.66 -13.13 C:129 20.89 -13.83 C:155 17.24 -7.51 C:107 20.89 -9.62 C:127 18.45 -11.05 C:89 13.55 -6.83 C:31 11.19 -9.62 O 22.08 -11.74 O 16.01 -6.83 C:143 9.98 -11.74 C:158 19.66 -8.91 C:167 12.36 -7.51 C:116 19.66 -11.74 C:157 20.89 -11.05 C:157 13.55 -9.62 C:110 18.45 -9.62 C:122 17.24 -8.91 C:112 12.36 -8.91 C:182 16.01 -9.62 C:156 14.81 -7.51 C:106 14.81 -8.91 C:89 11.19 -11.05 C:77 22.08 -13.13 1 19 2 2 19 1 3 32 1 4 32 1 5 28 2 6 20 1 7 21 1 8 24 1 9 31 1 10 11 2 10 22 1 11 32 1 12 18 1 12 26 2 13 20 2 13 23 1 14 22 1 14 25 2 15 21 2 15 29 1 16 27 1 16 31 1 17 23 1 17 32 1 18 29 1 19 31 1 20 25 1 21 27 1 22 23 2 24 27 2 24 30 1 25 26 1 26 28 1 28 30 1 29 30 2', 'C25H24O7', 436.263, 'C', 'ph65_1955_7', 2729, '', '', '1', 1, NULL, NULL),
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(10515, '', '5-Acetyl-7,4''-dimethoxyflavone-(6–8'''')-5-acetyl-7'''',4''''''-dimethoxyflavone', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:104001]O[c:104]6[cH:103][cH:102][c:101]([c:2]5[cH:3][c:4](=O)[c:10]4[c:5](O[C:5001]([CH3:5002])=O)[c:6]([c:208]2[c:207](O[CH3:207001])[cH:206][c:205](O[C:205001]([CH3:205002])=O)[c:210]3[c:204](=O)[cH:203][c:202]([c:301]1[cH:306][cH:305][c:304](O[CH3:304001])[cH:303][cH:302]1)o[c:209]23)[c:7](O[CH3:7001])[cH:8][c:9]4o5)[cH:106][cH:105]6', 'COc6ccc(c5cc(=O)c4c(OC(C)=O)c(c2c(OC)cc(OC(C)=O)c3c(=O)cc(c1ccc(OC)cc1)oc23)c(OC)cc4o5)cc6', '[CH3:55]O[c:162]6[cH:115][cH:128][c:124]([c:162]5[cH:107][c:177](=O)[c:111]4[c:156](O[C:169]([CH3:21])=O)[c:107]([c:107]2[c:161](O[CH3:56])[cH:104][c:151](O[C:170]([CH3:21])=O)[c:111]3[c:177](=O)[cH:106][c:162]([c:124]1[cH:128][cH:114][c:162](O[CH3:56])[cH:114][cH:128]1)o[c:159]23)[c:162](O[CH3:56])[cH:97][c:159]4o5)[cH:128][cH:115]6', '50 55 C:104001 25.21 -5.65 C:304001 20.30 -15.49 C:207001 10.66 -7.05 C:7001 13.07 -5.65 C:205002 7.01 -11.95 C:5002 17.99 -12.51 O 8.23 -9.86 O 15.61 -12.85 O 10.66 -14.07 O 17.88 -11.26 C:103 22.79 -7.05 C:105 21.58 -4.94 C:305 17.88 -14.07 C:303 16.70 -16.18 C:102 21.58 -7.77 C:106 20.35 -5.65 C:306 16.70 -13.37 C:302 15.50 -15.49 C:206 10.66 -9.86 C:203 13.07 -14.07 C:3 19.10 -9.17 C:8 15.50 -7.05 O 24.01 -4.94 O 19.10 -16.18 O 11.87 -7.77 O 13.07 -7.05 O 9.43 -11.97 O 15.50 -11.26 O 17.88 -7.05 O 14.28 -11.97 C:205001 8.23 -11.26 C:5001 16.70 -11.97 C:104 22.79 -5.65 C:304 17.88 -15.49 C:101 20.35 -7.05 C:301 15.50 -14.07 C:207 11.87 -9.17 C:7 14.28 -7.77 C:205 10.66 -11.26 C:2 19.10 -7.77 C:202 14.28 -13.37 C:5 15.50 -9.86 C:6 14.28 -9.17 C:208 13.07 -9.86 C:204 11.87 -13.37 C:4 17.88 -9.86 C:9 16.70 -7.77 C:209 13.07 -11.26 C:210 11.87 -11.97 C:10 16.70 -9.17 1 23 1 2 24 1 3 25 1 4 26 1 5 31 1 6 32 1 7 31 2 8 32 2 9 45 2 10 46 2 11 15 1 11 33 2 12 16 2 12 33 1 13 17 2 13 34 1 14 18 1 14 34 2 15 35 2 16 35 1 17 36 1 18 36 2 19 37 1 19 39 2 20 41 2 20 45 1 21 40 2 21 46 1 22 38 2 22 47 1 23 33 1 24 34 1 25 37 1 26 38 1 27 31 1 27 39 1 28 32 1 28 42 1 29 40 1 29 47 1 30 41 1 30 48 1 35 40 1 36 41 1 37 44 2 38 43 1 39 49 1 42 43 2 42 50 1 43 44 1 44 48 1 45 49 1 46 50 1 47 50 2 48 49 2', '50 55 C 25.21 -5.65 C 20.30 -15.49 C 10.66 -7.05 C 13.07 -5.65 C 7.01 -11.95 C 17.99 -12.51 O 8.23 -9.86 O 15.61 -12.85 O 10.66 -14.07 O 17.88 -11.26 C 22.79 -7.05 C 21.58 -4.94 C 17.88 -14.07 C 16.70 -16.18 C 21.58 -7.77 C 20.35 -5.65 C 16.70 -13.37 C 15.50 -15.49 C 10.66 -9.86 C 13.07 -14.07 C 19.10 -9.17 C 15.50 -7.05 O 24.01 -4.94 O 19.10 -16.18 O 11.87 -7.77 O 13.07 -7.05 O 9.43 -11.97 O 15.50 -11.26 O 17.88 -7.05 O 14.28 -11.97 C 8.23 -11.26 C 16.70 -11.97 C 22.79 -5.65 C 17.88 -15.49 C 20.35 -7.05 C 15.50 -14.07 C 11.87 -9.17 C 14.28 -7.77 C 10.66 -11.26 C 19.10 -7.77 C 14.28 -13.37 C 15.50 -9.86 C 14.28 -9.17 C 13.07 -9.86 C 11.87 -13.37 C 17.88 -9.86 C 16.70 -7.77 C 13.07 -11.26 C 11.87 -11.97 C 16.70 -9.17 1 23 1 2 24 1 3 25 1 4 26 1 5 31 1 6 32 1 7 31 2 8 32 2 9 45 2 10 46 2 11 15 1 11 33 2 12 16 2 12 33 1 13 17 2 13 34 1 14 18 1 14 34 2 15 35 2 16 35 1 17 36 1 18 36 2 19 37 1 19 39 2 20 41 2 20 45 1 21 40 2 21 46 1 22 38 2 22 47 1 23 33 1 24 34 1 25 37 1 26 38 1 27 31 1 27 39 1 28 32 1 28 42 1 29 40 1 29 47 1 30 41 1 30 48 1 35 40 1 36 41 1 37 44 2 38 43 1 39 49 1 42 43 2 42 50 1 43 44 1 44 48 1 45 49 1 46 50 1 47 50 2 48 49 2', '50 55 C:55 25.21 -5.65 C:56 20.30 -15.49 C:56 10.66 -7.05 C:56 13.07 -5.65 C:21 7.01 -11.95 C:21 17.99 -12.51 O 8.23 -9.86 O 15.61 -12.85 O 10.66 -14.07 O 17.88 -11.26 C:115 22.79 -7.05 C:115 21.58 -4.94 C:114 17.88 -14.07 C:114 16.70 -16.18 C:128 21.58 -7.77 C:128 20.35 -5.65 C:128 16.70 -13.37 C:128 15.50 -15.49 C:104 10.66 -9.86 C:106 13.07 -14.07 C:107 19.10 -9.17 C:97 15.50 -7.05 O 24.01 -4.94 O 19.10 -16.18 O 11.87 -7.77 O 13.07 -7.05 O 9.43 -11.97 O 15.50 -11.26 O 17.88 -7.05 O 14.28 -11.97 C:170 8.23 -11.26 C:169 16.70 -11.97 C:162 22.79 -5.65 C:162 17.88 -15.49 C:124 20.35 -7.05 C:124 15.50 -14.07 C:161 11.87 -9.17 C:162 14.28 -7.77 C:151 10.66 -11.26 C:162 19.10 -7.77 C:162 14.28 -13.37 C:156 15.50 -9.86 C:107 14.28 -9.17 C:107 13.07 -9.86 C:177 11.87 -13.37 C:177 17.88 -9.86 C:159 16.70 -7.77 C:159 13.07 -11.26 C:111 11.87 -11.97 C:111 16.70 -9.17 1 23 1 2 24 1 3 25 1 4 26 1 5 31 1 6 32 1 7 31 2 8 32 2 9 45 2 10 46 2 11 15 1 11 33 2 12 16 2 12 33 1 13 17 2 13 34 1 14 18 1 14 34 2 15 35 2 16 35 1 17 36 1 18 36 2 19 37 1 19 39 2 20 41 2 20 45 1 21 40 2 21 46 1 22 38 2 22 47 1 23 33 1 24 34 1 25 37 1 26 38 1 27 31 1 27 39 1 28 32 1 28 42 1 29 40 1 29 47 1 30 41 1 30 48 1 35 40 1 36 41 1 37 44 2 38 43 1 39 49 1 42 43 2 42 50 1 43 44 1 44 48 1 45 49 1 46 50 1 47 50 2 48 49 2', 'C38H30O12', 678.399, 'C', 'mrc06_35_3', 2734, '', '', '1', 1, NULL, NULL),
(10516, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', 'O=[c:4]2[cH:3][c:2]([c:101]1[cH:106][cH:105][cH:104][c:103](O)[c:102]1O)o[c:9]3[cH:8][cH:7][cH:6][cH:5][c:10]23', 'O=c2cc(c1cccc(O)c1O)oc3ccccc23', 'O=[c:177]2[cH:111][c:161]([c:118]1[cH:119][cH:119][cH:118][c:146](O)[c:145]1O)o[c:156]3[cH:118][cH:134][cH:125][cH:125][c:123]23', '19 21 O 14.95 -13.71 O 21.00 -10.21 O 18.58 -11.62 C:105 18.58 -7.41 C:7 11.31 -10.21 C:6 11.31 -11.62 C:104 19.79 -8.11 C:106 17.37 -8.11 C:8 12.52 -9.51 C:5 12.52 -12.31 C:3 16.15 -11.62 O 14.95 -9.51 C:103 19.79 -9.51 C:102 18.58 -10.21 C:2 16.15 -10.21 C:101 17.37 -9.51 C:4 14.95 -12.31 C:9 13.73 -10.21 C:10 13.73 -11.62 1 17 2 2 13 1 3 14 1 4 7 1 4 8 2 5 6 1 5 9 2 6 10 2 7 13 2 8 16 1 9 18 1 10 19 1 11 15 2 11 17 1 12 15 1 12 18 1 13 14 1 14 16 2 15 16 1 17 19 1 18 19 2', '19 21 O 14.95 -13.71 O 21.00 -10.21 O 18.58 -11.62 C 18.58 -7.41 C 11.31 -10.21 C 11.31 -11.62 C 19.79 -8.11 C 17.37 -8.11 C 12.52 -9.51 C 12.52 -12.31 C 16.15 -11.62 O 14.95 -9.51 C 19.79 -9.51 C 18.58 -10.21 C 16.15 -10.21 C 17.37 -9.51 C 14.95 -12.31 C 13.73 -10.21 C 13.73 -11.62 1 17 2 2 13 1 3 14 1 4 7 1 4 8 2 5 6 1 5 9 2 6 10 2 7 13 2 8 16 1 9 18 1 10 19 1 11 15 2 11 17 1 12 15 1 12 18 1 13 14 1 14 16 2 15 16 1 17 19 1 18 19 2', '19 21 O 14.95 -13.71 O 21.00 -10.21 O 18.58 -11.62 C:119 18.58 -7.41 C:134 11.31 -10.21 C:125 11.31 -11.62 C:118 19.79 -8.11 C:119 17.37 -8.11 C:118 12.52 -9.51 C:125 12.52 -12.31 C:111 16.15 -11.62 O 14.95 -9.51 C:146 19.79 -9.51 C:145 18.58 -10.21 C:161 16.15 -10.21 C:118 17.37 -9.51 C:177 14.95 -12.31 C:156 13.73 -10.21 C:123 13.73 -11.62 1 17 2 2 13 1 3 14 1 4 7 1 4 8 2 5 6 1 5 9 2 6 10 2 7 13 2 8 16 1 9 18 1 10 19 1 11 15 2 11 17 1 12 15 1 12 18 1 13 14 1 14 16 2 15 16 1 17 19 1 18 19 2', 'C15H10O4', 254.158, 'D', 'mrc06_99_4', 2735, '', '', '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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(10540, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:5001]O[c:5]2[cH:6][cH:7][cH:8][c:9]3o[c:2]([c:101]1[cH:106][cH:105][c:104](N)[cH:103][cH:102]1)[cH:3][c:4](=O)[c:10]23', 'COc2cccc3oc(c1ccc(N)cc1)cc(=O)c23', '[CH3:57]O[c:159]2[cH:107][cH:134][cH:110][c:158]3o[c:162]([c:117]1[cH:128][cH:114][c:153](N)[cH:114][cH:128]1)[cH:105][c:177](=O)[c:114]23', '20 22 C:5001 11.26 -14.09 N 20.94 -7.09 O 14.92 -13.39 C:7 11.26 -9.89 C:6 11.26 -11.28 C:105 18.57 -7.09 C:103 19.74 -9.19 C:106 17.32 -7.79 C:102 18.57 -9.89 C:8 12.48 -9.19 C:3 16.12 -11.28 O 12.48 -13.39 O 14.92 -9.19 C:104 19.74 -7.79 C:101 17.32 -9.19 C:2 16.12 -9.89 C:5 12.48 -11.99 C:4 14.92 -11.99 C:9 13.71 -9.89 C:10 13.71 -11.28 1 12 1 2 14 1 3 18 2 4 5 1 4 10 2 5 17 2 6 8 2 6 14 1 7 9 1 7 14 2 8 15 1 9 15 2 10 19 1 11 16 2 11 18 1 12 17 1 13 16 1 13 19 1 15 16 1 17 20 1 18 20 1 19 20 2', '20 22 C 11.26 -14.09 N 20.94 -7.09 O 14.92 -13.39 C 11.26 -9.89 C 11.26 -11.28 C 18.57 -7.09 C 19.74 -9.19 C 17.32 -7.79 C 18.57 -9.89 C 12.48 -9.19 C 16.12 -11.28 O 12.48 -13.39 O 14.92 -9.19 C 19.74 -7.79 C 17.32 -9.19 C 16.12 -9.89 C 12.48 -11.99 C 14.92 -11.99 C 13.71 -9.89 C 13.71 -11.28 1 12 1 2 14 1 3 18 2 4 5 1 4 10 2 5 17 2 6 8 2 6 14 1 7 9 1 7 14 2 8 15 1 9 15 2 10 19 1 11 16 2 11 18 1 12 17 1 13 16 1 13 19 1 15 16 1 17 20 1 18 20 1 19 20 2', '20 22 C:57 11.26 -14.09 N 20.94 -7.09 O 14.92 -13.39 C:134 11.26 -9.89 C:107 11.26 -11.28 C:114 18.57 -7.09 C:114 19.74 -9.19 C:128 17.32 -7.79 C:128 18.57 -9.89 C:110 12.48 -9.19 C:105 16.12 -11.28 O 12.48 -13.39 O 14.92 -9.19 C:153 19.74 -7.79 C:117 17.32 -9.19 C:162 16.12 -9.89 C:159 12.48 -11.99 C:177 14.92 -11.99 C:158 13.71 -9.89 C:114 13.71 -11.28 1 12 1 2 14 1 3 18 2 4 5 1 4 10 2 5 17 2 6 8 2 6 14 1 7 9 1 7 14 2 8 15 1 9 15 2 10 19 1 11 16 2 11 18 1 12 17 1 13 16 1 13 19 1 15 16 1 17 20 1 18 20 1 19 20 2', 'C16H13NO3', 267.176, 'C', 'mrc06_1122_2i', 2737, '', '', '1', 1, NULL, NULL),
(10541, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:5001]O[c:5]2[cH:6][cH:7][cH:8][c:9]3o[c:2]([c:101]1[cH:106][cH:105][cH:104][c:103](N)[c:102]1[CH3:102001])[cH:3][c:4](=O)[c:10]23', 'COc2cccc3oc(c1cccc(N)c1C)cc(=O)c23', '[CH3:14]O[c:160]2[cH:106][cH:134][cH:110][c:159]3o[c:164]([c:130]1[cH:120][cH:121][cH:117][c:145](N)[c:121]1[CH3:57])[cH:114][c:178](=O)[c:115]23', '21 23 C:5001 11.33 -14.11 C:102001 18.59 -11.31 N 20.97 -9.91 O 14.94 -13.40 C:105 18.59 -7.10 C:7 11.28 -9.91 C:104 19.77 -7.80 C:6 11.28 -11.31 C:106 17.34 -7.80 C:8 12.53 -9.20 C:3 16.14 -11.31 O 12.53 -13.40 O 14.94 -9.20 C:103 19.77 -9.20 C:102 18.59 -9.91 C:2 16.14 -9.91 C:5 12.53 -12.00 C:101 17.34 -9.20 C:4 14.94 -12.00 C:9 13.72 -9.91 C:10 13.72 -11.31 1 12 1 2 15 1 3 14 1 4 19 2 5 7 1 5 9 2 6 8 1 6 10 2 7 14 2 8 17 2 9 18 1 10 20 1 11 16 2 11 19 1 12 17 1 13 16 1 13 20 1 14 15 1 15 18 2 16 18 1 17 21 1 19 21 1 20 21 2', '21 23 C 11.33 -14.11 C 18.59 -11.31 N 20.97 -9.91 O 14.94 -13.40 C 18.59 -7.10 C 11.28 -9.91 C 19.77 -7.80 C 11.28 -11.31 C 17.34 -7.80 C 12.53 -9.20 C 16.14 -11.31 O 12.53 -13.40 O 14.94 -9.20 C 19.77 -9.20 C 18.59 -9.91 C 16.14 -9.91 C 12.53 -12.00 C 17.34 -9.20 C 14.94 -12.00 C 13.72 -9.91 C 13.72 -11.31 1 12 1 2 15 1 3 14 1 4 19 2 5 7 1 5 9 2 6 8 1 6 10 2 7 14 2 8 17 2 9 18 1 10 20 1 11 16 2 11 19 1 12 17 1 13 16 1 13 20 1 14 15 1 15 18 2 16 18 1 17 21 1 19 21 1 20 21 2', '21 23 C:14 11.33 -14.11 C:57 18.59 -11.31 N 20.97 -9.91 O 14.94 -13.40 C:121 18.59 -7.10 C:134 11.28 -9.91 C:117 19.77 -7.80 C:106 11.28 -11.31 C:120 17.34 -7.80 C:110 12.53 -9.20 C:114 16.14 -11.31 O 12.53 -13.40 O 14.94 -9.20 C:145 19.77 -9.20 C:121 18.59 -9.91 C:164 16.14 -9.91 C:160 12.53 -12.00 C:130 17.34 -9.20 C:178 14.94 -12.00 C:159 13.72 -9.91 C:115 13.72 -11.31 1 12 1 2 15 1 3 14 1 4 19 2 5 7 1 5 9 2 6 8 1 6 10 2 7 14 2 8 17 2 9 18 1 10 20 1 11 16 2 11 19 1 12 17 1 13 16 1 13 20 1 14 15 1 15 18 2 16 18 1 17 21 1 19 21 1 20 21 2', 'C17H15NO3', 281.187, 'C', 'mrc06_1122_2r', 2737, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(10567, 'retro-Carotenoid', '', 'Terpenoids', 'Tetraterpenoids', 'Carotenoids', '[CH3:120][C:113]([CH:114]=[CH:115][CH:15]=[CH:14][C:13]([CH3:20])=[CH:12][CH:11]=[CH:10][C:9]([CH3:19])=[CH:8][CH:7]=[C:6]1[C@@:1]([CH3:16])([CH3:17])[CH2:2][C@H:3](O)[CH2:4][C@@:5]1([CH3:18])O)=[CH:112][CH:111]=[CH:110][C:109]([CH3:119])=[CH:108][CH:107]=[C:106]2[C:105]([CH3:118])=[CH:104][C@@H:103](O)[CH2:102][C@:101]2([CH3:116])[CH3:117]', 'CC(C=CC=CC(C)=CC=CC(C)=CC=C1[C@@](C)(C)C[C@H](O)C[C@@]1(C)O)=CC=CC(C)=CC=C2C(C)=C[C@@H](O)C[C@]2(C)C', '[CH3:12][C:135]([CH:137]=[CH:129][CH:129]=[CH:137][C:136]([CH3:12])=[CH:133][CH:125]=[CH:139][C:137]([CH3:13])=[CH:130][CH:120]=[C:151]1[C@@:37]([CH3:33])([CH3:31])[CH2:50][C@H:64](O)[CH2:48][C@@:75]1([CH3:32])O)=[CH:133][CH:125]=[CH:139][C:136]([CH3:13])=[CH:132][CH:122]=[C:144]2[C:135]([CH3:21])=[CH:132][C@@H:66](O)[CH2:50][C@:36]2([CH3:27])[CH3:32]', '43 44 C:120 19.20 -12.36 C:20 13.12 -8.86 C:119 24.03 -12.36 C:19 8.29 -8.86 C:118 28.91 -12.36 C:116 26.28 -8.86 C:117 26.97 -7.65 C:16 6.03 -12.36 C:17 5.33 -13.57 C:18 4.12 -9.05 O 31.31 -8.16 O 1.00 -13.06 O 2.72 -9.05 C:115 16.77 -10.96 C:15 15.55 -10.26 C:111 21.62 -10.96 C:11 10.73 -10.26 C:114 17.99 -10.26 C:14 14.34 -10.96 C:112 20.41 -10.26 C:12 11.94 -10.96 C:110 22.83 -10.26 C:10 9.51 -10.96 C:108 25.26 -10.26 C:8 7.06 -10.96 C:107 26.47 -10.96 C:7 5.85 -10.26 C:104 30.11 -10.26 C:102 28.91 -8.16 C:2 3.42 -13.06 C:4 2.21 -10.96 C:113 19.20 -10.96 C:13 13.12 -10.26 C:109 24.03 -10.96 C:9 8.29 -10.26 C:105 28.91 -10.96 C:106 27.68 -10.26 C:6 4.63 -10.96 C:103 30.11 -8.86 C:3 2.21 -12.36 C:101 27.68 -8.86 C:1 4.63 -12.36 C:5 3.42 -10.26 1 32 1 2 33 1 3 34 1 4 35 1 5 36 1 41 6 -2 41 7 -1 42 8 -2 42 9 -1 43 10 -2 39 11 -2 40 12 -2 43 13 -1 14 15 1 14 18 2 15 19 2 16 20 1 16 22 2 17 21 1 17 23 2 18 32 1 19 33 1 20 32 2 21 33 2 22 34 1 23 35 1 24 26 1 24 34 2 25 27 1 25 35 2 26 37 2 27 38 2 28 36 2 28 39 1 29 39 1 29 41 1 30 40 1 30 42 1 31 40 1 31 43 1 36 37 1 37 41 1 38 42 1 38 43 1', '43 44 C 19.20 -12.36 C 13.12 -8.86 C 24.03 -12.36 C 8.29 -8.86 C 28.91 -12.36 C 26.28 -8.86 C 26.97 -7.65 C 6.03 -12.36 C 5.33 -13.57 C 4.12 -9.05 O 31.31 -8.16 O 1.00 -13.06 O 2.72 -9.05 C 16.77 -10.96 C 15.55 -10.26 C 21.62 -10.96 C 10.73 -10.26 C 17.99 -10.26 C 14.34 -10.96 C 20.41 -10.26 C 11.94 -10.96 C 22.83 -10.26 C 9.51 -10.96 C 25.26 -10.26 C 7.06 -10.96 C 26.47 -10.96 C 5.85 -10.26 C 30.11 -10.26 C 28.91 -8.16 C 3.42 -13.06 C 2.21 -10.96 C 19.20 -10.96 C 13.12 -10.26 C 24.03 -10.96 C 8.29 -10.26 C 28.91 -10.96 C 27.68 -10.26 C 4.63 -10.96 C 30.11 -8.86 C 2.21 -12.36 C 27.68 -8.86 C 4.63 -12.36 C 3.42 -10.26 1 32 1 2 33 1 3 34 1 4 35 1 5 36 1 41 6 -2 41 7 -1 42 8 -2 42 9 -1 43 10 -2 39 11 -2 40 12 -2 43 13 -1 14 15 1 14 18 2 15 19 2 16 20 1 16 22 2 17 21 1 17 23 2 18 32 1 19 33 1 20 32 2 21 33 2 22 34 1 23 35 1 24 26 1 24 34 2 25 27 1 25 35 2 26 37 2 27 38 2 28 36 2 28 39 1 29 39 1 29 41 1 30 40 1 30 42 1 31 40 1 31 43 1 36 37 1 37 41 1 38 42 1 38 43 1', '43 44 C:12 19.20 -12.36 C:12 13.12 -8.86 C:13 24.03 -12.36 C:13 8.29 -8.86 C:21 28.91 -12.36 C:27 26.28 -8.86 C:32 26.97 -7.65 C:33 6.03 -12.36 C:31 5.33 -13.57 C:32 4.12 -9.05 O 31.31 -8.16 O 1.00 -13.06 O 2.72 -9.05 C:129 16.77 -10.96 C:129 15.55 -10.26 C:125 21.62 -10.96 C:125 10.73 -10.26 C:137 17.99 -10.26 C:137 14.34 -10.96 C:133 20.41 -10.26 C:133 11.94 -10.96 C:139 22.83 -10.26 C:139 9.51 -10.96 C:132 25.26 -10.26 C:130 7.06 -10.96 C:122 26.47 -10.96 C:120 5.85 -10.26 C:132 30.11 -10.26 C:50 28.91 -8.16 C:50 3.42 -13.06 C:48 2.21 -10.96 C:135 19.20 -10.96 C:136 13.12 -10.26 C:136 24.03 -10.96 C:137 8.29 -10.26 C:135 28.91 -10.96 C:144 27.68 -10.26 C:151 4.63 -10.96 C:66 30.11 -8.86 C:64 2.21 -12.36 C:36 27.68 -8.86 C:37 4.63 -12.36 C:75 3.42 -10.26 1 32 1 2 33 1 3 34 1 4 35 1 5 36 1 41 6 -2 41 7 -1 42 8 -2 42 9 -1 43 10 -2 39 11 -2 40 12 -2 43 13 -1 14 15 1 14 18 2 15 19 2 16 20 1 16 22 2 17 21 1 17 23 2 18 32 1 19 33 1 20 32 2 21 33 2 22 34 1 23 35 1 24 26 1 24 34 2 25 27 1 25 35 2 26 37 2 27 38 2 28 36 2 28 39 1 29 39 1 29 41 1 30 40 1 30 42 1 31 40 1 31 43 1 36 37 1 37 41 1 38 42 1 38 43 1', 'C40H56O3', 584.426, 'C', 'np00_1288_1', 2750, '', '', '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
(10568, '6E-(3S,3''S)-Eschscholtzxanthin', '', 'Terpenoids', 'Tetraterpenoids', 'Carotenoids', '[CH3:120][C:113]([CH:114]=[CH:115][CH:15]=[CH:14][C:13]([CH3:20])=[CH:12][CH:11]=[CH:10][C:9]([CH3:19])=[CH:8][CH:7]=[C:6]1[C:5]([CH3:18])=[CH:4][C@@H:3](O)[CH2:2][C@@:1]1([CH3:17])[CH3:16])=[CH:112][CH:111]=[CH:110][C:109]([CH3:119])=[CH:108][CH:107]=[C:106]2[C:105]([CH3:118])=[CH:104][C@@H:103](O)[CH2:102][C@@:101]2([CH3:117])[CH3:116]', 'CC(C=CC=CC(C)=CC=CC(C)=CC=C1C(C)=C[C@@H](O)C[C@@]1(C)C)=CC=CC(C)=CC=C2C(C)=C[C@@H](O)C[C@@]2(C)C', '[CH3:12][C:135]([CH:137]=[CH:129][CH:129]=[CH:137][C:135]([CH3:12])=[CH:133][CH:125]=[CH:139][C:136]([CH3:13])=[CH:132][CH:122]=[C:144]1[C:135]([CH3:21])=[CH:133][C@@H:66](O)[CH2:50][C@@:36]1([CH3:32])[CH3:27])=[CH:133][CH:125]=[CH:139][C:136]([CH3:13])=[CH:132][CH:122]=[C:144]2[C:135]([CH3:21])=[CH:133][C@@H:66](O)[CH2:50][C@@:36]2([CH3:32])[CH3:27]', '42 43 C:120 19.20 -12.31 C:20 13.11 -8.81 C:119 24.03 -12.31 C:19 8.28 -8.81 C:118 28.91 -12.31 C:18 3.42 -8.81 C:117 26.97 -7.60 C:116 26.28 -8.81 C:17 5.33 -13.52 C:16 6.03 -12.31 O 31.31 -8.11 O 1.00 -13.01 C:115 16.76 -10.91 C:15 15.54 -10.21 C:111 21.62 -10.91 C:11 10.72 -10.21 C:114 17.99 -10.21 C:14 14.33 -10.91 C:112 20.41 -10.21 C:12 11.93 -10.91 C:110 22.83 -10.21 C:10 9.50 -10.91 C:108 25.26 -10.21 C:8 7.05 -10.91 C:107 26.47 -10.91 C:7 5.85 -10.21 C:104 30.11 -10.21 C:4 2.21 -10.91 C:102 28.91 -8.11 C:2 3.42 -13.01 C:113 19.20 -10.91 C:13 13.11 -10.21 C:109 24.03 -10.91 C:9 8.28 -10.21 C:105 28.91 -10.91 C:5 3.42 -10.21 C:106 27.68 -10.21 C:6 4.63 -10.91 C:103 30.11 -8.81 C:3 2.21 -12.31 C:101 27.68 -8.81 C:1 4.63 -12.31 1 31 1 2 32 1 3 33 1 4 34 1 5 35 1 6 36 1 41 7 -1 41 8 -2 42 9 -1 42 10 -2 39 11 -2 40 12 -2 13 14 1 13 17 2 14 18 2 15 19 1 15 21 2 16 20 1 16 22 2 17 31 1 18 32 1 19 31 2 20 32 2 21 33 1 22 34 1 23 25 1 23 33 2 24 26 1 24 34 2 25 37 2 26 38 2 27 35 2 27 39 1 28 36 2 28 40 1 29 39 1 29 41 1 30 40 1 30 42 1 35 37 1 36 38 1 37 41 1 38 42 1', '42 43 C 19.20 -12.31 C 13.11 -8.81 C 24.03 -12.31 C 8.28 -8.81 C 28.91 -12.31 C 3.42 -8.81 C 26.97 -7.60 C 26.28 -8.81 C 5.33 -13.52 C 6.03 -12.31 O 31.31 -8.11 O 1.00 -13.01 C 16.76 -10.91 C 15.54 -10.21 C 21.62 -10.91 C 10.72 -10.21 C 17.99 -10.21 C 14.33 -10.91 C 20.41 -10.21 C 11.93 -10.91 C 22.83 -10.21 C 9.50 -10.91 C 25.26 -10.21 C 7.05 -10.91 C 26.47 -10.91 C 5.85 -10.21 C 30.11 -10.21 C 2.21 -10.91 C 28.91 -8.11 C 3.42 -13.01 C 19.20 -10.91 C 13.11 -10.21 C 24.03 -10.91 C 8.28 -10.21 C 28.91 -10.91 C 3.42 -10.21 C 27.68 -10.21 C 4.63 -10.91 C 30.11 -8.81 C 2.21 -12.31 C 27.68 -8.81 C 4.63 -12.31 1 31 1 2 32 1 3 33 1 4 34 1 5 35 1 6 36 1 41 7 -1 41 8 -2 42 9 -1 42 10 -2 39 11 -2 40 12 -2 13 14 1 13 17 2 14 18 2 15 19 1 15 21 2 16 20 1 16 22 2 17 31 1 18 32 1 19 31 2 20 32 2 21 33 1 22 34 1 23 25 1 23 33 2 24 26 1 24 34 2 25 37 2 26 38 2 27 35 2 27 39 1 28 36 2 28 40 1 29 39 1 29 41 1 30 40 1 30 42 1 35 37 1 36 38 1 37 41 1 38 42 1', '42 43 C:12 19.20 -12.31 C:12 13.11 -8.81 C:13 24.03 -12.31 C:13 8.28 -8.81 C:21 28.91 -12.31 C:21 3.42 -8.81 C:32 26.97 -7.60 C:27 26.28 -8.81 C:32 5.33 -13.52 C:27 6.03 -12.31 O 31.31 -8.11 O 1.00 -13.01 C:129 16.76 -10.91 C:129 15.54 -10.21 C:125 21.62 -10.91 C:125 10.72 -10.21 C:137 17.99 -10.21 C:137 14.33 -10.91 C:133 20.41 -10.21 C:133 11.93 -10.91 C:139 22.83 -10.21 C:139 9.50 -10.91 C:132 25.26 -10.21 C:132 7.05 -10.91 C:122 26.47 -10.91 C:122 5.85 -10.21 C:133 30.11 -10.21 C:133 2.21 -10.91 C:50 28.91 -8.11 C:50 3.42 -13.01 C:135 19.20 -10.91 C:135 13.11 -10.21 C:136 24.03 -10.91 C:136 8.28 -10.21 C:135 28.91 -10.91 C:135 3.42 -10.21 C:144 27.68 -10.21 C:144 4.63 -10.91 C:66 30.11 -8.81 C:66 2.21 -12.31 C:36 27.68 -8.81 C:36 4.63 -12.31 1 31 1 2 32 1 3 33 1 4 34 1 5 35 1 6 36 1 41 7 -1 41 8 -2 42 9 -1 42 10 -2 39 11 -2 40 12 -2 13 14 1 13 17 2 14 18 2 15 19 1 15 21 2 16 20 1 16 22 2 17 31 1 18 32 1 19 31 2 20 32 2 21 33 1 22 34 1 23 25 1 23 33 2 24 26 1 24 34 2 25 37 2 26 38 2 27 35 2 27 39 1 28 36 2 28 40 1 29 39 1 29 41 1 30 40 1 30 42 1 35 37 1 36 38 1 37 41 1 38 42 1', 'C40H54O2', 566.427, 'C', 'np00_1288_2_E', 2750, '', '', '1', 1, NULL, NULL),
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