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
(4540, 'Norcaesalpinin D', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1(O)[C@:4]([CH3:19])([CH3:18])[C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@H:1](O[C:1001]([CH3:1002])=O)[C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][c:12]3o[cH:16][cH:15][c:13]3[C:14]4=O', '[H][C@@]24CC[C@@]1(O)[C@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@@]2([H])Cc3occc3C4=O', '[H][C@@:44]24[CH2:21][CH2:27][C@@:77]1(O)[C@:43]([CH3:26])([CH3:23])[C@H:77](O[C:170]([CH3:21])=O)[C@H:66](O[C:170]([CH3:21])=O)[C@H:74](O[C:170]([CH3:21])=O)[C@:46]1([CH3:19])[C@@:40]2([H])[CH2:23][c:166]3o[cH:143][cH:107][c:120]3[C:196]4=O', '36 39 H 18.66 -10.16 H 17.40 -11.44 C:2002 9.96 -10.70 C:3002 11.16 -15.42 C:1002 13.72 -6.94 C:19 14.04 -14.54 C:18 15.67 -14.55 C:20 16.14 -9.74 O 11.22 -12.73 O 13.58 -15.46 O 12.48 -9.02 O 21.15 -11.19 O 16.14 -13.86 C:16 20.34 -6.80 C:15 20.91 -8.08 C:7 18.66 -12.66 C:6 17.40 -13.39 C:11 17.40 -9.02 O 12.38 -10.56 O 12.40 -13.34 O 14.91 -9.06 O 18.95 -6.95 C:2001 11.22 -11.33 C:3001 12.38 -14.74 C:1001 13.70 -8.34 C:14 19.89 -10.46 C:12 18.66 -8.32 C:13 19.89 -9.02 C:2 13.62 -11.22 C:3 13.62 -12.66 C:1 14.89 -10.46 C:4 14.89 -13.39 C:8 18.66 -11.22 C:9 17.40 -10.46 C:5 16.14 -12.66 C:10 16.14 -11.22 33 1 -1 34 2 -2 3 23 1 4 24 1 5 25 1 32 6 -1 32 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 26 2 35 13 -2 14 15 2 14 22 1 15 28 1 16 17 1 16 33 1 17 35 1 18 27 1 18 34 1 19 23 1 29 19 -2 20 24 1 30 20 -2 21 25 1 31 21 -2 22 27 1 26 28 1 26 33 1 27 28 2 29 30 1 29 31 1 30 32 1 31 36 1 32 35 1 33 34 1 34 36 1 35 36 1', '36 39 H 18.66 -10.16 H 17.40 -11.44 C 9.96 -10.70 C 11.16 -15.42 C 13.72 -6.94 C 14.04 -14.54 C 15.67 -14.55 C 16.14 -9.74 O 11.22 -12.73 O 13.58 -15.46 O 12.48 -9.02 O 21.15 -11.19 O 16.14 -13.86 C 20.34 -6.80 C 20.91 -8.08 C 18.66 -12.66 C 17.40 -13.39 C 17.40 -9.02 O 12.38 -10.56 O 12.40 -13.34 O 14.91 -9.06 O 18.95 -6.95 C 11.22 -11.33 C 12.38 -14.74 C 13.70 -8.34 C 19.89 -10.46 C 18.66 -8.32 C 19.89 -9.02 C 13.62 -11.22 C 13.62 -12.66 C 14.89 -10.46 C 14.89 -13.39 C 18.66 -11.22 C 17.40 -10.46 C 16.14 -12.66 C 16.14 -11.22 33 1 -1 34 2 -2 3 23 1 4 24 1 5 25 1 32 6 -1 32 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 26 2 35 13 -2 14 15 2 14 22 1 15 28 1 16 17 1 16 33 1 17 35 1 18 27 1 18 34 1 19 23 1 29 19 -2 20 24 1 30 20 -2 21 25 1 31 21 -2 22 27 1 26 28 1 26 33 1 27 28 2 29 30 1 29 31 1 30 32 1 31 36 1 32 35 1 33 34 1 34 36 1 35 36 1', '36 39 H 18.66 -10.16 H 17.40 -11.44 C:21 9.96 -10.70 C:21 11.16 -15.42 C:21 13.72 -6.94 C:26 14.04 -14.54 C:23 15.67 -14.55 C:19 16.14 -9.74 O 11.22 -12.73 O 13.58 -15.46 O 12.48 -9.02 O 21.15 -11.19 O 16.14 -13.86 C:143 20.34 -6.80 C:107 20.91 -8.08 C:21 18.66 -12.66 C:27 17.40 -13.39 C:23 17.40 -9.02 O 12.38 -10.56 O 12.40 -13.34 O 14.91 -9.06 O 18.95 -6.95 C:170 11.22 -11.33 C:170 12.38 -14.74 C:170 13.70 -8.34 C:196 19.89 -10.46 C:166 18.66 -8.32 C:120 19.89 -9.02 C:66 13.62 -11.22 C:77 13.62 -12.66 C:74 14.89 -10.46 C:43 14.89 -13.39 C:44 18.66 -11.22 C:40 17.40 -10.46 C:77 16.14 -12.66 C:46 16.14 -11.22 33 1 -1 34 2 -2 3 23 1 4 24 1 5 25 1 32 6 -1 32 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 26 2 35 13 -2 14 15 2 14 22 1 15 28 1 16 17 1 16 33 1 17 35 1 18 27 1 18 34 1 19 23 1 29 19 -2 20 24 1 30 20 -2 21 25 1 31 21 -2 22 27 1 26 28 1 26 33 1 27 28 2 29 30 1 29 31 1 30 32 1 31 36 1 32 35 1 33 34 1 34 36 1 35 36 1', 'C25H32O9', 476.278, 'C', 'np05_706_6', 1330, '', '', '1', 1, NULL, NULL),
(4541, 'Norcaesalpinin E', '', 'Terpenoids', 'Diterpenoids', 'Vouacapanes', '[H][C@:9]23[CH2:11][c:12]1o[cH:16][cH:15][c:13]1[C:14](=O)[C@:8]2([H])[C@@H:7](O)[CH2:6][C@@:5]4(O)[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][C@H:1](O[C:1001]([CH3:1002])=O)[C@:10]34[CH3:20]', '[H][C@]23Cc1occc1C(=O)[C@]2([H])[C@@H](O)C[C@@]4(O)[C@](C)(C)CC[C@H](OC(C)=O)[C@]34C', '[H][C@:39]23[CH2:23][c:167]1o[cH:143][cH:106][c:120]1[C:198](=O)[C@:51]2([H])[C@@H:67](O)[CH2:34][C@@:78]4(O)[C@:38]([CH3:25])([CH3:28])[CH2:30][CH2:23][C@H:75](O[C:169]([CH3:22])=O)[C@:44]34[CH3:18]', '29 32 H 16.16 -11.89 H 17.42 -10.61 C:1002 12.48 -7.39 C:19 12.80 -14.99 C:18 14.43 -15.00 C:20 14.90 -10.19 O 11.25 -9.47 O 19.91 -11.64 O 18.64 -13.80 O 14.90 -14.31 C:16 19.10 -7.25 C:15 19.67 -8.53 C:2 12.38 -11.67 C:3 12.38 -13.11 C:11 16.16 -9.47 C:6 16.16 -13.84 O 13.67 -9.51 O 17.71 -7.40 C:1001 12.46 -8.79 C:14 18.65 -10.91 C:12 17.42 -8.77 C:13 18.65 -9.47 C:7 17.42 -13.11 C:1 13.65 -10.91 C:4 13.65 -13.84 C:9 16.16 -10.91 C:8 17.42 -11.67 C:5 14.90 -13.11 C:10 14.90 -11.67 26 1 -2 27 2 -1 3 19 1 25 4 -1 25 5 -2 29 6 -1 7 19 2 8 20 2 23 9 -1 28 10 -2 11 12 2 11 18 1 12 22 1 13 14 1 13 24 1 14 25 1 15 21 1 15 26 1 16 23 1 16 28 1 17 19 1 24 17 -2 18 21 1 20 22 1 20 27 1 21 22 2 23 27 1 24 29 1 25 28 1 26 27 1 26 29 1 28 29 1', '29 32 H 16.16 -11.89 H 17.42 -10.61 C 12.48 -7.39 C 12.80 -14.99 C 14.43 -15.00 C 14.90 -10.19 O 11.25 -9.47 O 19.91 -11.64 O 18.64 -13.80 O 14.90 -14.31 C 19.10 -7.25 C 19.67 -8.53 C 12.38 -11.67 C 12.38 -13.11 C 16.16 -9.47 C 16.16 -13.84 O 13.67 -9.51 O 17.71 -7.40 C 12.46 -8.79 C 18.65 -10.91 C 17.42 -8.77 C 18.65 -9.47 C 17.42 -13.11 C 13.65 -10.91 C 13.65 -13.84 C 16.16 -10.91 C 17.42 -11.67 C 14.90 -13.11 C 14.90 -11.67 26 1 -2 27 2 -1 3 19 1 25 4 -1 25 5 -2 29 6 -1 7 19 2 8 20 2 23 9 -1 28 10 -2 11 12 2 11 18 1 12 22 1 13 14 1 13 24 1 14 25 1 15 21 1 15 26 1 16 23 1 16 28 1 17 19 1 24 17 -2 18 21 1 20 22 1 20 27 1 21 22 2 23 27 1 24 29 1 25 28 1 26 27 1 26 29 1 28 29 1', '29 32 H 16.16 -11.89 H 17.42 -10.61 C:22 12.48 -7.39 C:25 12.80 -14.99 C:28 14.43 -15.00 C:18 14.90 -10.19 O 11.25 -9.47 O 19.91 -11.64 O 18.64 -13.80 O 14.90 -14.31 C:143 19.10 -7.25 C:106 19.67 -8.53 C:23 12.38 -11.67 C:30 12.38 -13.11 C:23 16.16 -9.47 C:34 16.16 -13.84 O 13.67 -9.51 O 17.71 -7.40 C:169 12.46 -8.79 C:198 18.65 -10.91 C:167 17.42 -8.77 C:120 18.65 -9.47 C:67 17.42 -13.11 C:75 13.65 -10.91 C:38 13.65 -13.84 C:39 16.16 -10.91 C:51 17.42 -11.67 C:78 14.90 -13.11 C:44 14.90 -11.67 26 1 -2 27 2 -1 3 19 1 25 4 -1 25 5 -2 29 6 -1 7 19 2 8 20 2 23 9 -1 28 10 -2 11 12 2 11 18 1 12 22 1 13 14 1 13 24 1 14 25 1 15 21 1 15 26 1 16 23 1 16 28 1 17 19 1 24 17 -2 18 21 1 20 22 1 20 27 1 21 22 2 23 27 1 24 29 1 25 28 1 26 27 1 26 29 1 28 29 1', 'C21H28O6', 376.237, 'C', 'np05_706_7', 1330, '', '', '1', 1, NULL, NULL),
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(4555, 'Caesaldekarin G', '', 'Terpenoids', 'Diterpenoids', 'Cassanes', '[H][C@@:8]23[CH2:7][CH2:6][C@@:5]1(O)[C@@:4]([CH3:18])([C:19](=O)O[CH3:19001])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][C:12](=O)[C:13]([CH2:15][CH2:16]O)=[C:14]3[CH3:17]', '[H][C@@]23CC[C@@]1(O)[C@@](C)(C(=O)OC)CCC[C@]1(C)[C@@]2([H])CC(=O)C(CCO)=C3C', '[H][C@@:41]23[CH2:25][CH2:29][C@@:76]1(O)[C@@:49]([CH3:24])([C:177](=O)O[CH3:52])[CH2:32][CH2:18][CH2:31][C@:41]1([CH3:15])[C@@:44]2([H])[CH2:38][C:202](=O)[C:132]([CH2:29][CH2:62]O)=[C:160]3[CH3:18]', '28 30 H 16.59 -9.94 H 15.33 -11.22 C:19001 9.75 -15.29 C:17 19.08 -10.97 C:18 13.60 -14.33 C:20 14.07 -9.52 O 16.58 -6.70 O 12.50 -15.61 O 21.44 -8.06 O 14.07 -13.64 C:16 20.24 -8.77 C:2 11.55 -11.00 C:15 19.02 -8.08 C:3 11.55 -12.44 C:1 12.82 -10.24 C:7 16.59 -12.44 C:6 15.33 -13.17 C:11 15.33 -8.80 O 10.58 -14.16 C:12 16.59 -8.10 C:14 17.82 -10.24 C:19 11.97 -14.32 C:13 17.82 -8.80 C:8 16.59 -11.00 C:9 15.33 -10.24 C:4 12.82 -13.17 C:10 14.07 -11.00 C:5 14.07 -12.44 24 1 -1 25 2 -2 3 19 1 4 21 1 26 5 -2 27 6 -1 7 20 2 8 22 2 9 11 1 28 10 -2 11 13 1 12 14 1 12 15 1 13 23 1 14 26 1 15 27 1 16 17 1 16 24 1 17 28 1 18 20 1 18 25 1 19 22 1 20 23 1 21 23 2 21 24 1 26 22 -1 24 25 1 25 27 1 26 28 1 27 28 1', '28 30 H 16.59 -9.94 H 15.33 -11.22 C 9.75 -15.29 C 19.08 -10.97 C 13.60 -14.33 C 14.07 -9.52 O 16.58 -6.70 O 12.50 -15.61 O 21.44 -8.06 O 14.07 -13.64 C 20.24 -8.77 C 11.55 -11.00 C 19.02 -8.08 C 11.55 -12.44 C 12.82 -10.24 C 16.59 -12.44 C 15.33 -13.17 C 15.33 -8.80 O 10.58 -14.16 C 16.59 -8.10 C 17.82 -10.24 C 11.97 -14.32 C 17.82 -8.80 C 16.59 -11.00 C 15.33 -10.24 C 12.82 -13.17 C 14.07 -11.00 C 14.07 -12.44 24 1 -1 25 2 -2 3 19 1 4 21 1 26 5 -2 27 6 -1 7 20 2 8 22 2 9 11 1 28 10 -2 11 13 1 12 14 1 12 15 1 13 23 1 14 26 1 15 27 1 16 17 1 16 24 1 17 28 1 18 20 1 18 25 1 19 22 1 20 23 1 21 23 2 21 24 1 26 22 -1 24 25 1 25 27 1 26 28 1 27 28 1', '28 30 H 16.59 -9.94 H 15.33 -11.22 C:52 9.75 -15.29 C:18 19.08 -10.97 C:24 13.60 -14.33 C:15 14.07 -9.52 O 16.58 -6.70 O 12.50 -15.61 O 21.44 -8.06 O 14.07 -13.64 C:62 20.24 -8.77 C:18 11.55 -11.00 C:29 19.02 -8.08 C:32 11.55 -12.44 C:31 12.82 -10.24 C:25 16.59 -12.44 C:29 15.33 -13.17 C:38 15.33 -8.80 O 10.58 -14.16 C:202 16.59 -8.10 C:160 17.82 -10.24 C:177 11.97 -14.32 C:132 17.82 -8.80 C:41 16.59 -11.00 C:44 15.33 -10.24 C:49 12.82 -13.17 C:41 14.07 -11.00 C:76 14.07 -12.44 24 1 -1 25 2 -2 3 19 1 4 21 1 26 5 -2 27 6 -1 7 20 2 8 22 2 9 11 1 28 10 -2 11 13 1 12 14 1 12 15 1 13 23 1 14 26 1 15 27 1 16 17 1 16 24 1 17 28 1 18 20 1 18 25 1 19 22 1 20 23 1 21 23 2 21 24 1 26 22 -1 24 25 1 25 27 1 26 28 1 27 28 1', 'C21H32O5', 364.238, 'C', 'ph47_1153_3', 1786, '', '', '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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(4583, '', '9-Benzoyl-6-hydroxy-5-methoxy-4-phenylnodakenetin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:5001]O[c:5]4[c:6]1[c:7](O[C@H:6002]([C:6003]([CH3:6004])([CH3:6301])O)[C@@H:6001]1O)[c:8]([C:8001](=O)[c:8002]2[cH:8007][cH:8006][cH:8005][cH:8004][cH:8003]2)[c:9]5o[c:2](=O)[cH:3][c:4]([c:101]3[cH:102][cH:103][cH:104][cH:105][cH:106]3)[c:10]45', 'COc4c1c(O[C@H](C(C)(C)O)[C@@H]1O)c(C(=O)c2ccccc2)c5oc(=O)cc(c3ccccc3)c45', '[CH3:59]O[c:157]4[c:116]1[c:162](O[C@H:90]([C:73]([CH3:25])([CH3:28])O)[C@@H:71]1O)[c:106]([C:191](=O)[c:138]2[cH:130][cH:129][cH:134][cH:129][cH:130]2)[c:156]5o[c:159](=O)[cH:114][c:155]([c:140]3[cH:127][cH:128][cH:128][cH:128][cH:127]3)[c:106]45', '35 39 C:5001 15.00 -14.64 C:6004 10.76 -9.93 C:6301 10.76 -12.36 O 15.00 -7.65 O 21.07 -9.74 O 13.25 -13.61 O 10.06 -11.14 C:8005 19.83 -6.23 C:104 18.65 -16.74 C:8006 19.84 -7.62 C:8004 18.61 -5.54 C:103 19.86 -16.05 C:105 17.44 -16.05 C:8007 18.63 -8.33 C:8003 17.40 -6.24 C:102 19.86 -14.64 C:106 17.44 -14.64 C:3 19.86 -11.84 O 16.23 -13.94 O 13.69 -10.01 O 18.65 -9.74 C:8001 16.22 -8.34 C:8002 17.41 -7.63 C:101 18.65 -13.94 C:4 18.65 -12.54 C:7 15.02 -10.44 C:5 16.23 -12.54 C:8 16.23 -9.74 C:6 15.02 -11.84 C:2 19.86 -10.44 C:9 17.44 -10.44 C:10 17.44 -11.84 C:6001 13.69 -12.28 C:6002 12.86 -11.14 C:6003 11.45 -11.14 1 19 1 2 35 1 3 35 1 4 22 2 5 30 2 33 6 -1 7 35 1 8 10 2 8 11 1 9 12 1 9 13 2 10 14 1 11 15 2 12 16 2 13 17 1 14 23 2 15 23 1 16 24 1 17 24 2 18 25 2 18 30 1 19 27 1 20 26 1 20 34 1 21 30 1 21 31 1 22 23 1 22 28 1 24 25 1 25 32 1 26 28 1 26 29 2 27 29 1 27 32 2 28 31 2 29 33 1 31 32 1 33 34 1 34 35 -1', '35 39 C 15.00 -14.64 C 10.76 -9.93 C 10.76 -12.36 O 15.00 -7.65 O 21.07 -9.74 O 13.25 -13.61 O 10.06 -11.14 C 19.83 -6.23 C 18.65 -16.74 C 19.84 -7.62 C 18.61 -5.54 C 19.86 -16.05 C 17.44 -16.05 C 18.63 -8.33 C 17.40 -6.24 C 19.86 -14.64 C 17.44 -14.64 C 19.86 -11.84 O 16.23 -13.94 O 13.69 -10.01 O 18.65 -9.74 C 16.22 -8.34 C 17.41 -7.63 C 18.65 -13.94 C 18.65 -12.54 C 15.02 -10.44 C 16.23 -12.54 C 16.23 -9.74 C 15.02 -11.84 C 19.86 -10.44 C 17.44 -10.44 C 17.44 -11.84 C 13.69 -12.28 C 12.86 -11.14 C 11.45 -11.14 1 19 1 2 35 1 3 35 1 4 22 2 5 30 2 33 6 -1 7 35 1 8 10 2 8 11 1 9 12 1 9 13 2 10 14 1 11 15 2 12 16 2 13 17 1 14 23 2 15 23 1 16 24 1 17 24 2 18 25 2 18 30 1 19 27 1 20 26 1 20 34 1 21 30 1 21 31 1 22 23 1 22 28 1 24 25 1 25 32 1 26 28 1 26 29 2 27 29 1 27 32 2 28 31 2 29 33 1 31 32 1 33 34 1 34 35 -1', '35 39 C:59 15.00 -14.64 C:25 10.76 -9.93 C:28 10.76 -12.36 O 15.00 -7.65 O 21.07 -9.74 O 13.25 -13.61 O 10.06 -11.14 C:134 19.83 -6.23 C:128 18.65 -16.74 C:129 19.84 -7.62 C:129 18.61 -5.54 C:128 19.86 -16.05 C:128 17.44 -16.05 C:130 18.63 -8.33 C:130 17.40 -6.24 C:127 19.86 -14.64 C:127 17.44 -14.64 C:114 19.86 -11.84 O 16.23 -13.94 O 13.69 -10.01 O 18.65 -9.74 C:191 16.22 -8.34 C:138 17.41 -7.63 C:140 18.65 -13.94 C:155 18.65 -12.54 C:162 15.02 -10.44 C:157 16.23 -12.54 C:106 16.23 -9.74 C:116 15.02 -11.84 C:159 19.86 -10.44 C:156 17.44 -10.44 C:106 17.44 -11.84 C:71 13.69 -12.28 C:90 12.86 -11.14 C:73 11.45 -11.14 1 19 1 2 35 1 3 35 1 4 22 2 5 30 2 33 6 -1 7 35 1 8 10 2 8 11 1 9 12 1 9 13 2 10 14 1 11 15 2 12 16 2 13 17 1 14 23 2 15 23 1 16 24 1 17 24 2 18 25 2 18 30 1 19 27 1 20 26 1 20 34 1 21 30 1 21 31 1 22 23 1 22 28 1 24 25 1 25 32 1 26 28 1 26 29 2 27 29 1 27 32 2 28 31 2 29 33 1 31 32 1 33 34 1 34 35 -1', 'C28H24O7', 472.295, 'C', '5', 300, '', '', '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
(4584, '', '(-)-6-Benzoyl-5-hydroxy-4-phenylcolumbianelin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8301][C:8003]([CH3:8004])(O)[C@@H:8002]1[CH2:8001][c:8]4[c:7](O1)[c:6]([C:6001](=O)[c:6002]2[cH:6007][cH:6006][cH:6005][cH:6004][cH:6003]2)[c:5](O)[c:10]5[c:4]([c:101]3[cH:102][cH:103][cH:104][cH:105][cH:106]3)[cH:3][c:2](=O)o[c:9]45', 'CC(C)(O)[C@@H]1Cc4c(O1)c(C(=O)c2ccccc2)c(O)c5c(c3ccccc3)cc(=O)oc45', '[CH3:24][C:71]([CH3:24])(O)[C@@H:93]1[CH2:27][c:106]4[c:164](O1)[c:103]([C:199](=O)[c:139]2[cH:127][cH:128][cH:128][cH:128][cH:127]2)[c:164](O)[c:103]5[c:156]([c:139]3[cH:127][cH:128][cH:128][cH:128][cH:127]3)[cH:112][c:160](=O)o[c:156]45', '33 37 C:8004 12.39 -3.84 C:8301 14.49 -2.62 O 13.75 -10.76 O 21.02 -6.56 O 16.16 -10.76 O 13.09 -2.62 C:6005 10.11 -7.27 C:104 18.60 -13.57 C:6004 10.11 -8.67 C:6006 11.32 -6.57 C:105 17.39 -12.87 C:103 19.81 -12.87 C:6003 11.33 -9.37 C:6007 12.54 -7.26 C:106 17.39 -11.47 C:102 19.81 -11.47 C:3 19.81 -8.66 C:8001 15.88 -5.19 O 13.92 -6.33 O 18.60 -6.56 C:6001 13.75 -9.36 C:6002 12.54 -8.66 C:101 18.60 -10.76 C:5 16.17 -9.36 C:4 18.60 -9.36 C:7 14.96 -7.26 C:8 16.17 -6.56 C:6 14.96 -8.66 C:2 19.81 -7.26 C:9 17.39 -7.26 C:10 17.39 -8.66 C:8002 14.49 -5.05 C:8003 13.79 -3.83 1 33 1 2 33 1 3 21 2 4 29 2 5 24 1 6 33 1 7 9 1 7 10 2 8 11 2 8 12 1 9 13 2 10 14 1 11 15 1 12 16 2 13 22 1 14 22 2 15 23 2 16 23 1 17 25 2 17 29 1 18 27 1 18 32 1 19 26 1 19 32 1 20 29 1 20 30 1 21 22 1 21 28 1 23 25 1 24 28 1 24 31 2 25 31 1 26 27 1 26 28 2 27 30 2 30 31 1 32 33 -2', '33 37 C 12.39 -3.84 C 14.49 -2.62 O 13.75 -10.76 O 21.02 -6.56 O 16.16 -10.76 O 13.09 -2.62 C 10.11 -7.27 C 18.60 -13.57 C 10.11 -8.67 C 11.32 -6.57 C 17.39 -12.87 C 19.81 -12.87 C 11.33 -9.37 C 12.54 -7.26 C 17.39 -11.47 C 19.81 -11.47 C 19.81 -8.66 C 15.88 -5.19 O 13.92 -6.33 O 18.60 -6.56 C 13.75 -9.36 C 12.54 -8.66 C 18.60 -10.76 C 16.17 -9.36 C 18.60 -9.36 C 14.96 -7.26 C 16.17 -6.56 C 14.96 -8.66 C 19.81 -7.26 C 17.39 -7.26 C 17.39 -8.66 C 14.49 -5.05 C 13.79 -3.83 1 33 1 2 33 1 3 21 2 4 29 2 5 24 1 6 33 1 7 9 1 7 10 2 8 11 2 8 12 1 9 13 2 10 14 1 11 15 1 12 16 2 13 22 1 14 22 2 15 23 2 16 23 1 17 25 2 17 29 1 18 27 1 18 32 1 19 26 1 19 32 1 20 29 1 20 30 1 21 22 1 21 28 1 23 25 1 24 28 1 24 31 2 25 31 1 26 27 1 26 28 2 27 30 2 30 31 1 32 33 -2', '33 37 C:24 12.39 -3.84 C:24 14.49 -2.62 O 13.75 -10.76 O 21.02 -6.56 O 16.16 -10.76 O 13.09 -2.62 C:128 10.11 -7.27 C:128 18.60 -13.57 C:128 10.11 -8.67 C:128 11.32 -6.57 C:128 17.39 -12.87 C:128 19.81 -12.87 C:127 11.33 -9.37 C:127 12.54 -7.26 C:127 17.39 -11.47 C:127 19.81 -11.47 C:112 19.81 -8.66 C:27 15.88 -5.19 O 13.92 -6.33 O 18.60 -6.56 C:199 13.75 -9.36 C:139 12.54 -8.66 C:139 18.60 -10.76 C:164 16.17 -9.36 C:156 18.60 -9.36 C:164 14.96 -7.26 C:106 16.17 -6.56 C:103 14.96 -8.66 C:160 19.81 -7.26 C:156 17.39 -7.26 C:103 17.39 -8.66 C:93 14.49 -5.05 C:71 13.79 -3.83 1 33 1 2 33 1 3 21 2 4 29 2 5 24 1 6 33 1 7 9 1 7 10 2 8 11 2 8 12 1 9 13 2 10 14 1 11 15 1 12 16 2 13 22 1 14 22 2 15 23 2 16 23 1 17 25 2 17 29 1 18 27 1 18 32 1 19 26 1 19 32 1 20 29 1 20 30 1 21 22 1 21 28 1 23 25 1 24 28 1 24 31 2 25 31 1 26 27 1 26 28 2 27 30 2 30 31 1 32 33 -2', 'C27H22O6', 442.285, 'C', '6', 300, '', '', '3', 1, NULL, NULL),
(4585, '', '9-Benzoyl-5-methoxy-4-phenylnodakenetin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:5001]O[c:5]4[c:6]1[CH2:6001][C@@H:6002]([C:6003]([CH3:6004])([CH3:6301])O)O[c:7]1[c:8]([C:8001](=O)[c:8002]2[cH:8007][cH:8006][cH:8005][cH:8004][cH:8003]2)[c:9]5o[c:2](=O)[cH:3][c:4]([c:101]3[cH:102][cH:103][cH:104][cH:105][cH:106]3)[c:10]45', 'COc4c1C[C@@H](C(C)(C)O)Oc1c(C(=O)c2ccccc2)c5oc(=O)cc(c3ccccc3)c45', '[CH3:59]O[c:155]4[c:114]1[CH2:28][C@@H:91]([C:71]([CH3:26])([CH3:25])O)O[c:162]1[c:107]([C:191](=O)[c:137]2[cH:130][cH:129][cH:134][cH:129][cH:130]2)[c:154]5o[c:159](=O)[cH:113][c:155]([c:140]3[cH:127][cH:128][cH:128][cH:128][cH:127]3)[c:106]45', '34 38 C:5001 15.00 -14.64 C:6004 10.76 -9.93 C:6301 10.76 -12.36 O 15.00 -7.65 O 21.07 -9.74 O 10.06 -11.14 C:8005 19.83 -6.23 C:104 18.65 -16.75 C:8006 19.84 -7.62 C:8004 18.61 -5.54 C:103 19.86 -16.05 C:105 17.44 -16.05 C:8007 18.63 -8.33 C:8003 17.40 -6.24 C:102 19.86 -14.64 C:106 17.44 -14.64 C:3 19.86 -11.84 C:6001 13.69 -12.28 O 16.23 -13.94 O 13.69 -10.01 O 18.65 -9.74 C:8001 16.23 -8.34 C:8002 17.41 -7.63 C:101 18.65 -13.94 C:4 18.65 -12.54 C:6 15.02 -11.84 C:7 15.02 -10.44 C:5 16.23 -12.54 C:8 16.23 -9.74 C:2 19.86 -10.44 C:9 17.44 -10.44 C:10 17.44 -11.84 C:6002 12.86 -11.14 C:6003 11.45 -11.14 1 19 1 2 34 1 3 34 1 4 22 2 5 30 2 6 34 1 7 9 2 7 10 1 8 11 1 8 12 2 9 13 1 10 14 2 11 15 2 12 16 1 13 23 2 14 23 1 15 24 1 16 24 2 17 25 2 17 30 1 18 26 1 18 33 1 19 28 1 20 27 1 20 33 1 21 30 1 21 31 1 22 23 1 22 29 1 24 25 1 25 32 1 26 27 2 26 28 1 27 29 1 28 32 2 29 31 2 31 32 1 33 34 -1', '34 38 C 15.00 -14.64 C 10.76 -9.93 C 10.76 -12.36 O 15.00 -7.65 O 21.07 -9.74 O 10.06 -11.14 C 19.83 -6.23 C 18.65 -16.75 C 19.84 -7.62 C 18.61 -5.54 C 19.86 -16.05 C 17.44 -16.05 C 18.63 -8.33 C 17.40 -6.24 C 19.86 -14.64 C 17.44 -14.64 C 19.86 -11.84 C 13.69 -12.28 O 16.23 -13.94 O 13.69 -10.01 O 18.65 -9.74 C 16.23 -8.34 C 17.41 -7.63 C 18.65 -13.94 C 18.65 -12.54 C 15.02 -11.84 C 15.02 -10.44 C 16.23 -12.54 C 16.23 -9.74 C 19.86 -10.44 C 17.44 -10.44 C 17.44 -11.84 C 12.86 -11.14 C 11.45 -11.14 1 19 1 2 34 1 3 34 1 4 22 2 5 30 2 6 34 1 7 9 2 7 10 1 8 11 1 8 12 2 9 13 1 10 14 2 11 15 2 12 16 1 13 23 2 14 23 1 15 24 1 16 24 2 17 25 2 17 30 1 18 26 1 18 33 1 19 28 1 20 27 1 20 33 1 21 30 1 21 31 1 22 23 1 22 29 1 24 25 1 25 32 1 26 27 2 26 28 1 27 29 1 28 32 2 29 31 2 31 32 1 33 34 -1', '34 38 C:59 15.00 -14.64 C:26 10.76 -9.93 C:25 10.76 -12.36 O 15.00 -7.65 O 21.07 -9.74 O 10.06 -11.14 C:134 19.83 -6.23 C:128 18.65 -16.75 C:129 19.84 -7.62 C:129 18.61 -5.54 C:128 19.86 -16.05 C:128 17.44 -16.05 C:130 18.63 -8.33 C:130 17.40 -6.24 C:127 19.86 -14.64 C:127 17.44 -14.64 C:113 19.86 -11.84 C:28 13.69 -12.28 O 16.23 -13.94 O 13.69 -10.01 O 18.65 -9.74 C:191 16.23 -8.34 C:137 17.41 -7.63 C:140 18.65 -13.94 C:155 18.65 -12.54 C:114 15.02 -11.84 C:162 15.02 -10.44 C:155 16.23 -12.54 C:107 16.23 -9.74 C:159 19.86 -10.44 C:154 17.44 -10.44 C:106 17.44 -11.84 C:91 12.86 -11.14 C:71 11.45 -11.14 1 19 1 2 34 1 3 34 1 4 22 2 5 30 2 6 34 1 7 9 2 7 10 1 8 11 1 8 12 2 9 13 1 10 14 2 11 15 2 12 16 1 13 23 2 14 23 1 15 24 1 16 24 2 17 25 2 17 30 1 18 26 1 18 33 1 19 28 1 20 27 1 20 33 1 21 30 1 21 31 1 22 23 1 22 29 1 24 25 1 25 32 1 26 27 2 26 28 1 27 29 1 28 32 2 29 31 2 31 32 1 33 34 -1', 'C28H24O6', 456.296, 'C', '7', 300, '', '', '3', 1, NULL, NULL),
(4586, 'Volubolin', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:104001]O[c:104]3[cH:105][cH:106][c:101]([c:4]1[cH:3][c:2](=O)o[c:9]2[cH:8][c:7](O)[cH:6][cH:5][c:10]12)[cH:102][c:103]3O', 'COc3ccc(c1cc(=O)oc2cc(O)ccc12)cc3O', '[CH3:9999]O[c:9999]3[cH:9999][cH:9999][c:9999]([c:9999]1[cH:9999][c:9999](=O)o[c:9999]2[cH:9999][c:9999](O)[cH:9999][cH:9999][c:9999]12)[cH:9999][c:9999]3O', '21 23 O 19.22 -3.53 C:104 16.80 -10.53 C:103 18.01 -9.83 C:105 15.59 -9.83 C:102 18.01 -8.43 C:106 15.59 -8.43 C:7 13.16 -4.23 C:8 14.37 -3.53 C:5 14.37 -6.33 C:3 18.01 -5.63 O 16.80 -3.53 C:2 18.01 -4.23 C:6 13.16 -5.63 C:101 16.80 -7.73 C:9 15.59 -4.23 C:10 15.59 -5.63 C:4 16.80 -6.33 O 19.23 -10.53 O 16.80 -11.93 C:104001 18.02 -12.63 O 11.95 -3.53 1 12 2 2 3 1 2 4 2 3 5 2 4 6 1 5 14 1 6 14 2 7 8 1 7 13 2 8 15 2 9 13 1 9 16 2 10 12 1 10 17 2 11 12 1 11 15 1 14 17 1 15 16 1 16 17 1 3 18 1 2 19 1 19 20 1 7 21 1', '21 23 O 19.22 -3.53 C 16.80 -10.53 C 18.01 -9.83 C 15.59 -9.83 C 18.01 -8.43 C 15.59 -8.43 C 13.16 -4.23 C 14.37 -3.53 C 14.37 -6.33 C 18.01 -5.63 O 16.80 -3.53 C 18.01 -4.23 C 13.16 -5.63 C 16.80 -7.73 C 15.59 -4.23 C 15.59 -5.63 C 16.80 -6.33 O 19.23 -10.53 O 16.80 -11.93 C 18.02 -12.63 O 11.95 -3.53 1 12 2 2 3 1 2 4 2 3 5 2 4 6 1 5 14 1 6 14 2 7 8 1 7 13 2 8 15 2 9 13 1 9 16 2 10 12 1 10 17 2 11 12 1 11 15 1 14 17 1 15 16 1 16 17 1 3 18 1 2 19 1 19 20 1 7 21 1', '21 23 O 19.22 -3.53 C 16.80 -10.53 C 18.01 -9.83 C 15.59 -9.83 C 18.01 -8.43 C 15.59 -8.43 C 13.16 -4.23 C 14.37 -3.53 C 14.37 -6.33 C 18.01 -5.63 O 16.80 -3.53 C 18.01 -4.23 C 13.16 -5.63 C 16.80 -7.73 C 15.59 -4.23 C 15.59 -5.63 C 16.80 -6.33 O 19.23 -10.53 O 16.80 -11.93 C 18.02 -12.63 O 11.95 -3.53 1 12 2 2 3 1 2 4 2 3 5 2 4 6 1 5 14 1 6 14 2 7 8 1 7 13 2 8 15 2 9 13 1 9 16 2 10 12 1 10 17 2 11 12 1 11 15 1 14 17 1 15 16 1 16 17 1 3 18 1 2 19 1 19 20 1 7 21 1', 'C16H12O5', 284.168, '', '8', 679, '', '', '3', 1, NULL, NULL),
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(4600, '', '3''-Hydroxy-5,7,4''-trimethoxy-4-phenylcoumarin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:7001]O[c:7]3[cH:6][c:5](O[CH3:5001])[c:10]2[c:4]([c:101]1[cH:106][cH:105][c:104](O[CH3:104001])[c:103](O)[cH:102]1)[cH:3][c:2](=O)o[c:9]2[cH:8]3', 'COc3cc(OC)c2c(c1ccc(OC)c(O)c1)cc(=O)oc2c3', '[CH3:56]O[c:164]3[cH:96][c:160](O[CH3:56])[c:104]2[c:157]([c:133]1[cH:119][cH:113][c:147](O[CH3:56])[c:145](O)[cH:114]1)[cH:110][c:161](=O)o[c:155]2[cH:94]3', '24 26 C:7001 11.34 -7.31 C:104001 18.63 -15.70 C:5001 13.75 -11.49 O 19.83 -6.61 O 19.84 -13.60 C:106 16.20 -11.50 C:105 16.20 -12.90 C:102 18.62 -11.50 C:6 13.77 -8.71 C:3 18.62 -8.71 C:8 14.99 -6.61 O 12.56 -6.61 O 17.41 -15.00 O 14.98 -10.80 O 17.41 -6.61 C:7 13.77 -7.31 C:103 18.62 -12.90 C:101 17.41 -10.80 C:104 17.41 -13.60 C:5 14.99 -9.40 C:4 17.41 -9.40 C:2 18.62 -7.31 C:9 16.20 -7.31 C:10 16.20 -8.71 1 12 1 2 13 1 3 14 1 4 22 2 5 17 1 6 7 1 6 18 2 7 19 2 8 17 2 8 18 1 9 16 2 9 20 1 10 21 2 10 22 1 11 16 1 11 23 2 12 16 1 13 19 1 14 20 1 15 22 1 15 23 1 17 19 1 18 21 1 20 24 2 21 24 1 23 24 1', '24 26 C 11.34 -7.31 C 18.63 -15.70 C 13.75 -11.49 O 19.83 -6.61 O 19.84 -13.60 C 16.20 -11.50 C 16.20 -12.90 C 18.62 -11.50 C 13.77 -8.71 C 18.62 -8.71 C 14.99 -6.61 O 12.56 -6.61 O 17.41 -15.00 O 14.98 -10.80 O 17.41 -6.61 C 13.77 -7.31 C 18.62 -12.90 C 17.41 -10.80 C 17.41 -13.60 C 14.99 -9.40 C 17.41 -9.40 C 18.62 -7.31 C 16.20 -7.31 C 16.20 -8.71 1 12 1 2 13 1 3 14 1 4 22 2 5 17 1 6 7 1 6 18 2 7 19 2 8 17 2 8 18 1 9 16 2 9 20 1 10 21 2 10 22 1 11 16 1 11 23 2 12 16 1 13 19 1 14 20 1 15 22 1 15 23 1 17 19 1 18 21 1 20 24 2 21 24 1 23 24 1', '24 26 C:56 11.34 -7.31 C:56 18.63 -15.70 C:56 13.75 -11.49 O 19.83 -6.61 O 19.84 -13.60 C:119 16.20 -11.50 C:113 16.20 -12.90 C:114 18.62 -11.50 C:96 13.77 -8.71 C:110 18.62 -8.71 C:94 14.99 -6.61 O 12.56 -6.61 O 17.41 -15.00 O 14.98 -10.80 O 17.41 -6.61 C:164 13.77 -7.31 C:145 18.62 -12.90 C:133 17.41 -10.80 C:147 17.41 -13.60 C:160 14.99 -9.40 C:157 17.41 -9.40 C:161 18.62 -7.31 C:155 16.20 -7.31 C:104 16.20 -8.71 1 12 1 2 13 1 3 14 1 4 22 2 5 17 1 6 7 1 6 18 2 7 19 2 8 17 2 8 18 1 9 16 2 9 20 1 10 21 2 10 22 1 11 16 1 11 23 2 12 16 1 13 19 1 14 20 1 15 22 1 15 23 1 17 19 1 18 21 1 20 24 2 21 24 1 23 24 1', 'C18H16O6', 328.189, 'C', '22', 968, '', '', '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
(4601, '', '5-Hydroxy-6-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-phenyl-2,2''-dimethyl-2H,6H-benzo[1,2-b:3,4-b'']-dipyran-2-one', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6301][CH:6003]([CH2:6004]O[C:6005](=O)[CH:6006]=[CH:6007][c:6008]1[cH:6009][cH:6010][cH:6011][cH:6012][cH:6013]1)[CH2:6002][C:6001](=O)[c:6]5[c:5](O)[c:10]3[c:4]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:3][c:2](=O)o[c:9]3[c:8]4[CH:8001]=[CH:8002][C:8003]([CH3:8004])([CH3:8301])O[c:7]45', 'CC(COC(=O)C=Cc1ccccc1)CC(=O)c5c(O)c3c(c2ccccc2)cc(=O)oc3c4C=CC(C)(C)Oc45', '[CH3:18][CH:30]([CH2:69]O[C:167](=O)[CH:118]=[CH:146][c:135]1[cH:129][cH:130][cH:131][cH:130][cH:129]1)[CH2:49][C:206](=O)[c:108]5[c:165](O)[c:103]3[c:157]([c:140]2[cH:128][cH:128][cH:129][cH:128][cH:128]2)[cH:113][c:160](=O)o[c:159]3[c:102]4[CH:116]=[CH:127][C:81]([CH3:29])([CH3:29])O[c:156]45', '41 45 C:6301 10.11 -8.76 C:8004 12.55 -4.50 C:8301 12.54 -5.90 O 11.37 -13.64 O 13.75 -10.82 O 21.01 -6.61 O 16.19 -10.80 C:6006 13.80 -13.62 C:6007 13.80 -15.02 C:8001 16.18 -5.21 C:8002 14.97 -4.51 C:6011 17.47 -17.09 C:104 18.61 -13.60 C:6010 17.45 -15.69 C:6012 16.26 -17.80 C:103 19.81 -12.91 C:105 17.39 -12.91 C:6009 16.23 -15.00 C:6013 15.03 -17.11 C:102 19.81 -11.51 C:106 17.39 -11.51 C:3 19.81 -8.71 C:6004 11.33 -10.84 C:6002 12.54 -8.73 O 12.58 -11.53 O 13.75 -6.61 O 18.61 -6.61 C:6005 12.58 -12.93 C:6001 13.75 -9.42 C:6008 15.03 -15.71 C:101 18.61 -10.80 C:5 16.18 -9.40 C:8 16.18 -6.61 C:4 18.61 -9.40 C:7 14.96 -7.31 C:6 14.96 -8.71 C:2 19.81 -7.31 C:9 17.39 -7.31 C:10 17.39 -8.71 C:6003 11.33 -9.44 C:8003 13.76 -5.21 1 40 1 2 41 1 3 41 1 4 28 2 5 29 2 6 37 2 7 32 1 8 9 2 8 28 1 9 30 1 10 11 2 10 33 1 11 41 1 12 14 1 12 15 2 13 16 1 13 17 2 14 18 2 15 19 1 16 20 2 17 21 1 18 30 1 19 30 2 20 31 1 21 31 2 22 34 2 22 37 1 23 25 1 23 40 1 24 29 1 24 40 1 25 28 1 26 35 1 26 41 1 27 37 1 27 38 1 29 36 1 31 34 1 32 36 1 32 39 2 33 35 1 33 38 2 34 39 1 35 36 2 38 39 1', '41 45 C 10.11 -8.76 C 12.55 -4.50 C 12.54 -5.90 O 11.37 -13.64 O 13.75 -10.82 O 21.01 -6.61 O 16.19 -10.80 C 13.80 -13.62 C 13.80 -15.02 C 16.18 -5.21 C 14.97 -4.51 C 17.47 -17.09 C 18.61 -13.60 C 17.45 -15.69 C 16.26 -17.80 C 19.81 -12.91 C 17.39 -12.91 C 16.23 -15.00 C 15.03 -17.11 C 19.81 -11.51 C 17.39 -11.51 C 19.81 -8.71 C 11.33 -10.84 C 12.54 -8.73 O 12.58 -11.53 O 13.75 -6.61 O 18.61 -6.61 C 12.58 -12.93 C 13.75 -9.42 C 15.03 -15.71 C 18.61 -10.80 C 16.18 -9.40 C 16.18 -6.61 C 18.61 -9.40 C 14.96 -7.31 C 14.96 -8.71 C 19.81 -7.31 C 17.39 -7.31 C 17.39 -8.71 C 11.33 -9.44 C 13.76 -5.21 1 40 1 2 41 1 3 41 1 4 28 2 5 29 2 6 37 2 7 32 1 8 9 2 8 28 1 9 30 1 10 11 2 10 33 1 11 41 1 12 14 1 12 15 2 13 16 1 13 17 2 14 18 2 15 19 1 16 20 2 17 21 1 18 30 1 19 30 2 20 31 1 21 31 2 22 34 2 22 37 1 23 25 1 23 40 1 24 29 1 24 40 1 25 28 1 26 35 1 26 41 1 27 37 1 27 38 1 29 36 1 31 34 1 32 36 1 32 39 2 33 35 1 33 38 2 34 39 1 35 36 2 38 39 1', '41 45 C:18 10.11 -8.76 C:29 12.55 -4.50 C:29 12.54 -5.90 O 11.37 -13.64 O 13.75 -10.82 O 21.01 -6.61 O 16.19 -10.80 C:118 13.80 -13.62 C:146 13.80 -15.02 C:116 16.18 -5.21 C:127 14.97 -4.51 C:131 17.47 -17.09 C:129 18.61 -13.60 C:130 17.45 -15.69 C:130 16.26 -17.80 C:128 19.81 -12.91 C:128 17.39 -12.91 C:129 16.23 -15.00 C:129 15.03 -17.11 C:128 19.81 -11.51 C:128 17.39 -11.51 C:113 19.81 -8.71 C:69 11.33 -10.84 C:49 12.54 -8.73 O 12.58 -11.53 O 13.75 -6.61 O 18.61 -6.61 C:167 12.58 -12.93 C:206 13.75 -9.42 C:135 15.03 -15.71 C:140 18.61 -10.80 C:165 16.18 -9.40 C:102 16.18 -6.61 C:157 18.61 -9.40 C:156 14.96 -7.31 C:108 14.96 -8.71 C:160 19.81 -7.31 C:159 17.39 -7.31 C:103 17.39 -8.71 C:30 11.33 -9.44 C:81 13.76 -5.21 1 40 1 2 41 1 3 41 1 4 28 2 5 29 2 6 37 2 7 32 1 8 9 2 8 28 1 9 30 1 10 11 2 10 33 1 11 41 1 12 14 1 12 15 2 13 16 1 13 17 2 14 18 2 15 19 1 16 20 2 17 21 1 18 30 1 19 30 2 20 31 1 21 31 2 22 34 2 22 37 1 23 25 1 23 40 1 24 29 1 24 40 1 25 28 1 26 35 1 26 41 1 27 37 1 27 38 1 29 36 1 31 34 1 32 36 1 32 39 2 33 35 1 33 38 2 34 39 1 35 36 2 38 39 1', 'C34H30O7', 550.36, 'C', '23', 433, '', '', '3', 1, NULL, NULL),
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(4616, 'Disparacetylfuran A', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8004][C:8003](=O)[c:8002]1[cH:8001][c:8]3[c:7](o1)[c:6]([C:6001](=O)[CH2:6002][CH:6003]([CH3:6301])[CH3:6004])[c:5](O)[c:10]4[c:4]([c:101]2[cH:106][cH:105][cH:104][cH:103][cH:102]2)[cH:3][c:2](=O)o[c:9]34', 'CC(=O)c1cc3c(o1)c(C(=O)CC(C)C)c(O)c4c(c2ccccc2)cc(=O)oc34', '[CH3:26][C:186](=O)[c:152]1[cH:111][c:110]3[c:147](o1)[c:119]([C:204](=O)[CH2:52][CH:26]([CH3:23])[CH3:23])[c:166](O)[c:103]4[c:156]([c:138]2[cH:127][cH:128][cH:129][cH:128][cH:127]2)[cH:115][c:159](=O)o[c:157]34', '30 33 C:8004 14.50 -5.69 C:6301 11.34 -13.81 C:6004 10.14 -11.70 O 12.40 -6.91 O 13.76 -13.82 O 21.03 -9.63 O 16.18 -13.83 C:104 18.61 -16.64 C:105 17.40 -15.94 C:103 19.82 -15.94 C:106 17.40 -14.53 C:102 19.82 -14.53 C:3 19.82 -11.73 C:8001 15.89 -8.26 C:6002 12.55 -11.71 O 13.93 -9.40 O 18.61 -9.63 C:8003 13.80 -6.90 C:6001 13.76 -12.43 C:101 18.61 -13.83 C:8002 14.50 -8.12 C:5 16.18 -12.43 C:4 18.61 -12.43 C:6 14.97 -11.73 C:2 19.82 -10.33 C:8 16.18 -9.63 C:7 14.97 -10.33 C:10 17.40 -11.73 C:9 17.40 -10.33 C:6003 11.34 -12.42 1 18 1 2 30 1 3 30 1 4 18 2 5 19 2 6 25 2 7 22 1 8 9 2 8 10 1 9 11 1 10 12 2 11 20 2 12 20 1 13 23 2 13 25 1 14 21 2 14 26 1 15 19 1 15 30 1 16 21 1 16 27 1 17 25 1 17 29 1 18 21 1 19 24 1 20 23 1 22 24 1 22 28 2 23 28 1 24 27 2 26 27 1 26 29 2 28 29 1', '30 33 C 14.50 -5.69 C 11.34 -13.81 C 10.14 -11.70 O 12.40 -6.91 O 13.76 -13.82 O 21.03 -9.63 O 16.18 -13.83 C 18.61 -16.64 C 17.40 -15.94 C 19.82 -15.94 C 17.40 -14.53 C 19.82 -14.53 C 19.82 -11.73 C 15.89 -8.26 C 12.55 -11.71 O 13.93 -9.40 O 18.61 -9.63 C 13.80 -6.90 C 13.76 -12.43 C 18.61 -13.83 C 14.50 -8.12 C 16.18 -12.43 C 18.61 -12.43 C 14.97 -11.73 C 19.82 -10.33 C 16.18 -9.63 C 14.97 -10.33 C 17.40 -11.73 C 17.40 -10.33 C 11.34 -12.42 1 18 1 2 30 1 3 30 1 4 18 2 5 19 2 6 25 2 7 22 1 8 9 2 8 10 1 9 11 1 10 12 2 11 20 2 12 20 1 13 23 2 13 25 1 14 21 2 14 26 1 15 19 1 15 30 1 16 21 1 16 27 1 17 25 1 17 29 1 18 21 1 19 24 1 20 23 1 22 24 1 22 28 2 23 28 1 24 27 2 26 27 1 26 29 2 28 29 1', '30 33 C:26 14.50 -5.69 C:23 11.34 -13.81 C:23 10.14 -11.70 O 12.40 -6.91 O 13.76 -13.82 O 21.03 -9.63 O 16.18 -13.83 C:129 18.61 -16.64 C:128 17.40 -15.94 C:128 19.82 -15.94 C:127 17.40 -14.53 C:127 19.82 -14.53 C:115 19.82 -11.73 C:111 15.89 -8.26 C:52 12.55 -11.71 O 13.93 -9.40 O 18.61 -9.63 C:186 13.80 -6.90 C:204 13.76 -12.43 C:138 18.61 -13.83 C:152 14.50 -8.12 C:166 16.18 -12.43 C:156 18.61 -12.43 C:119 14.97 -11.73 C:159 19.82 -10.33 C:110 16.18 -9.63 C:147 14.97 -10.33 C:103 17.40 -11.73 C:157 17.40 -10.33 C:26 11.34 -12.42 1 18 1 2 30 1 3 30 1 4 18 2 5 19 2 6 25 2 7 22 1 8 9 2 8 10 1 9 11 1 10 12 2 11 20 2 12 20 1 13 23 2 13 25 1 14 21 2 14 26 1 15 19 1 15 30 1 16 21 1 16 27 1 17 25 1 17 29 1 18 21 1 19 24 1 20 23 1 22 24 1 22 28 2 23 28 1 24 27 2 26 27 1 26 29 2 28 29 1', 'C24H20O6', 404.253, 'C', '38', 781, '', '', '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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(4632, 'Inophyllum D', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8004][C@@H:8003]5O[c:7]4[c:6]1[CH:6001]=[CH:6002][C:6003]([CH3:6004])([CH3:6301])O[c:5]1[c:10]3[c:4]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:3][c:2](=O)o[c:9]3[c:8]4[C@@H:8001](O)[C@@H:8002]5[CH3:8201]', 'C[C@@H]5Oc4c1C=CC(C)(C)Oc1c3c(c2ccccc2)cc(=O)oc3c4[C@@H](O)[C@@H]5C', '[CH3:18][C@@H:71]5O[c:154]4[c:106]1[CH:116]=[CH:127][C:77]([CH3:27])([CH3:27])O[c:151]1[c:103]3[c:156]([c:140]2[cH:127][cH:127][cH:128][cH:127][cH:127]2)[cH:112][c:161](=O)o[c:155]3[c:104]4[C@@H:65](O)[C@@H:37]5[CH3:9]', '30 34 C:8004 11.32 -4.24 O 19.83 -6.33 C:8001 14.96 -4.93 C:8002 13.75 -4.23 C:104 17.40 -13.33 C:105 16.19 -12.63 C:103 18.61 -12.63 C:106 16.19 -11.22 C:102 18.61 -11.22 C:3 18.61 -8.43 O 12.54 -6.33 O 17.40 -6.33 C:101 17.40 -10.52 C:5 14.96 -9.13 C:8 14.96 -6.33 C:7 13.75 -7.03 C:4 17.40 -9.13 C:6 13.75 -8.43 C:2 18.61 -7.03 C:9 16.19 -7.03 C:10 16.19 -8.43 C:8003 12.53 -4.93 C:8201 13.76 -2.83 O 16.17 -4.23 C:6001 12.54 -9.12 C:6002 12.54 -10.52 C:6003 13.75 -11.23 O 14.96 -10.53 C:6301 14.96 -11.93 C:6004 12.54 -11.92 22 1 -1 2 19 2 3 4 1 3 15 1 4 22 1 5 6 2 5 7 1 6 8 1 7 9 2 8 13 2 9 13 1 10 17 2 10 19 1 11 16 1 11 22 1 12 19 1 12 20 1 13 17 1 14 18 1 14 21 2 15 16 1 15 20 2 16 18 2 17 21 1 20 21 1 4 23 -1 3 24 -2 25 26 2 26 27 1 27 28 1 14 28 1 18 25 1 27 29 1 27 30 1', '30 34 C 11.32 -4.24 O 19.83 -6.33 C 14.96 -4.93 C 13.75 -4.23 C 17.40 -13.33 C 16.19 -12.63 C 18.61 -12.63 C 16.19 -11.22 C 18.61 -11.22 C 18.61 -8.43 O 12.54 -6.33 O 17.40 -6.33 C 17.40 -10.52 C 14.96 -9.13 C 14.96 -6.33 C 13.75 -7.03 C 17.40 -9.13 C 13.75 -8.43 C 18.61 -7.03 C 16.19 -7.03 C 16.19 -8.43 C 12.53 -4.93 C 13.76 -2.83 O 16.17 -4.23 C 12.54 -9.12 C 12.54 -10.52 C 13.75 -11.23 O 14.96 -10.53 C 14.96 -11.93 C 12.54 -11.92 22 1 -1 2 19 2 3 4 1 3 15 1 4 22 1 5 6 2 5 7 1 6 8 1 7 9 2 8 13 2 9 13 1 10 17 2 10 19 1 11 16 1 11 22 1 12 19 1 12 20 1 13 17 1 14 18 1 14 21 2 15 16 1 15 20 2 16 18 2 17 21 1 20 21 1 4 23 -1 3 24 -2 25 26 2 26 27 1 27 28 1 14 28 1 18 25 1 27 29 1 27 30 1', '30 34 C:18 11.32 -4.24 O 19.83 -6.33 C:65 14.96 -4.93 C:37 13.75 -4.23 C:128 17.40 -13.33 C:127 16.19 -12.63 C:127 18.61 -12.63 C:127 16.19 -11.22 C:127 18.61 -11.22 C:112 18.61 -8.43 O 12.54 -6.33 O 17.40 -6.33 C:140 17.40 -10.52 C:151 14.96 -9.13 C:104 14.96 -6.33 C:154 13.75 -7.03 C:156 17.40 -9.13 C:106 13.75 -8.43 C:161 18.61 -7.03 C:155 16.19 -7.03 C:103 16.19 -8.43 C:71 12.53 -4.93 C:9 13.76 -2.83 O 16.17 -4.23 C:116 12.54 -9.12 C:127 12.54 -10.52 C:77 13.75 -11.23 O 14.96 -10.53 C:27 14.96 -11.93 C:27 12.54 -11.92 22 1 -1 2 19 2 3 4 1 3 15 1 4 22 1 5 6 2 5 7 1 6 8 1 7 9 2 8 13 2 9 13 1 10 17 2 10 19 1 11 16 1 11 22 1 12 19 1 12 20 1 13 17 1 14 18 1 14 21 2 15 16 1 15 20 2 16 18 2 17 21 1 20 21 1 4 23 -1 3 24 -2 25 26 2 26 27 1 27 28 1 14 28 1 18 25 1 27 29 1 27 30 1', 'C25H24O5', 404.264, 'C', '54', 1767, '', '', '3', 1, NULL, NULL),
(4633, 'Inophyllum E', '(+)-cis-inophyllolide', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8004][C@@H:8003]5O[c:7]4[c:6]1[CH:6001]=[CH:6002][C:6003]([CH3:6301])([CH3:6004])O[c:5]1[c:10]3[c:4]([c:101]2[cH:106][cH:105][cH:104][cH:103][cH:102]2)[cH:3][c:2](=O)o[c:9]3[c:8]4[C:8001](=O)[C@@H:8002]5[CH3:8201]', 'C[C@@H]5Oc4c1C=CC(C)(C)Oc1c3c(c2ccccc2)cc(=O)oc3c4C(=O)[C@@H]5C', '[CH3:16][C@@H:77]5O[c:155]4[c:105]1[CH:115]=[CH:127][C:79]([CH3:27])([CH3:27])O[c:156]1[c:103]3[c:159]([c:140]2[cH:128][cH:128][cH:127][cH:128][cH:128]2)[cH:113][c:159](=O)o[c:155]3[c:104]4[C:192](=O)[C@@H:46]5[CH3:9]', '30 34 C:8004 11.32 -4.24 C:8201 13.76 -2.83 C:6004 12.54 -11.92 C:6301 14.96 -11.93 O 19.83 -6.33 C:6001 12.54 -9.12 C:6002 12.54 -10.52 C:104 17.40 -13.33 C:103 18.61 -12.63 C:105 16.19 -12.63 C:102 18.61 -11.22 C:106 16.19 -11.22 C:3 18.61 -8.43 O 12.54 -6.33 O 14.96 -10.53 O 17.40 -6.33 C:101 17.40 -10.52 C:6 13.75 -8.43 C:7 13.75 -7.03 C:4 17.40 -9.13 C:5 14.96 -9.13 C:8 14.96 -6.33 C:2 18.61 -7.03 C:9 16.19 -7.03 C:10 16.19 -8.43 C:8003 12.53 -4.93 C:8002 13.75 -4.23 C:8001 14.96 -4.93 C:6003 13.75 -11.23 O 16.17 -4.23 26 1 -1 27 2 -1 3 29 1 4 29 1 5 23 2 6 7 2 6 18 1 7 29 1 8 9 1 8 10 2 9 11 2 10 12 1 11 17 1 12 17 2 13 20 2 13 23 1 14 19 1 14 26 1 15 21 1 15 29 1 16 23 1 16 24 1 17 20 1 18 19 2 18 21 1 19 22 1 20 25 1 21 25 2 22 24 2 22 28 1 24 25 1 26 27 1 27 28 1 28 30 2', '30 34 C 11.32 -4.24 C 13.76 -2.83 C 12.54 -11.92 C 14.96 -11.93 O 19.83 -6.33 C 12.54 -9.12 C 12.54 -10.52 C 17.40 -13.33 C 18.61 -12.63 C 16.19 -12.63 C 18.61 -11.22 C 16.19 -11.22 C 18.61 -8.43 O 12.54 -6.33 O 14.96 -10.53 O 17.40 -6.33 C 17.40 -10.52 C 13.75 -8.43 C 13.75 -7.03 C 17.40 -9.13 C 14.96 -9.13 C 14.96 -6.33 C 18.61 -7.03 C 16.19 -7.03 C 16.19 -8.43 C 12.53 -4.93 C 13.75 -4.23 C 14.96 -4.93 C 13.75 -11.23 O 16.17 -4.23 26 1 -1 27 2 -1 3 29 1 4 29 1 5 23 2 6 7 2 6 18 1 7 29 1 8 9 1 8 10 2 9 11 2 10 12 1 11 17 1 12 17 2 13 20 2 13 23 1 14 19 1 14 26 1 15 21 1 15 29 1 16 23 1 16 24 1 17 20 1 18 19 2 18 21 1 19 22 1 20 25 1 21 25 2 22 24 2 22 28 1 24 25 1 26 27 1 27 28 1 28 30 2', '30 34 C:16 11.32 -4.24 C:9 13.76 -2.83 C:27 12.54 -11.92 C:27 14.96 -11.93 O 19.83 -6.33 C:115 12.54 -9.12 C:127 12.54 -10.52 C:127 17.40 -13.33 C:128 18.61 -12.63 C:128 16.19 -12.63 C:128 18.61 -11.22 C:128 16.19 -11.22 C:113 18.61 -8.43 O 12.54 -6.33 O 14.96 -10.53 O 17.40 -6.33 C:140 17.40 -10.52 C:105 13.75 -8.43 C:155 13.75 -7.03 C:159 17.40 -9.13 C:156 14.96 -9.13 C:104 14.96 -6.33 C:159 18.61 -7.03 C:155 16.19 -7.03 C:103 16.19 -8.43 C:77 12.53 -4.93 C:46 13.75 -4.23 C:192 14.96 -4.93 C:79 13.75 -11.23 O 16.17 -4.23 26 1 -1 27 2 -1 3 29 1 4 29 1 5 23 2 6 7 2 6 18 1 7 29 1 8 9 1 8 10 2 9 11 2 10 12 1 11 17 1 12 17 2 13 20 2 13 23 1 14 19 1 14 26 1 15 21 1 15 29 1 16 23 1 16 24 1 17 20 1 18 19 2 18 21 1 19 22 1 20 25 1 21 25 2 22 24 2 22 28 1 24 25 1 26 27 1 27 28 1 28 30 2', 'C25H22O5', 402.264, 'C', '55', 1767, '', '', '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
(4634, 'Inophyllum G-1', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8004][C@@H:8003]6O[c:7]5[c:6]1[c:5](O[CH:6002]2[CH:6001]1[C:6003]2([CH3:6004])[CH3:6301])[c:10]4[c:4]([c:101]3[cH:102][cH:103][cH:104][cH:105][cH:106]3)[cH:3][c:2](=O)o[c:9]4[c:8]5[C@H:8001](O)[C@@H:8002]6[CH3:8201]', 'C[C@@H]6Oc5c1c(OC2C1C2(C)C)c4c(c3ccccc3)cc(=O)oc4c5[C@H](O)[C@@H]6C', '[CH3:16][C@@H:76]6O[c:153]5[c:112]1[c:158](O[CH:73]2[CH:29]1[C:23]2([CH3:13])[CH3:13])[c:99]4[c:155]([c:138]3[cH:128][cH:128][cH:128][cH:128][cH:128]3)[cH:111][c:161](=O)o[c:153]4[c:106]5[C@H:63](O)[C@@H:36]6[CH3:11]', '30 35 C:8004 11.68 -4.21 C:8201 14.09 -2.82 C:6301 10.99 -9.61 C:6004 11.53 -11.64 O 20.16 -6.31 O 16.51 -4.21 C:104 17.74 -13.29 C:105 16.53 -12.59 C:103 18.95 -12.59 C:106 16.53 -11.18 C:102 18.95 -11.18 C:3 18.95 -8.40 O 12.88 -6.31 O 15.02 -10.47 O 17.74 -6.31 C:101 17.74 -10.49 C:4 17.74 -9.10 C:7 14.10 -7.00 C:5 15.31 -9.10 C:6 14.10 -8.40 C:8 15.31 -6.31 C:2 18.95 -7.00 C:9 16.53 -7.00 C:10 16.53 -8.40 C:8003 12.88 -4.91 C:8002 14.09 -4.21 C:8001 15.31 -4.91 C:6002 13.63 -10.61 C:6001 13.06 -9.34 C:6003 12.15 -10.39 25 1 -1 26 2 -1 3 30 1 4 30 1 5 22 2 27 6 -1 7 8 2 7 9 1 8 10 1 9 11 2 10 16 2 11 16 1 12 17 2 12 22 1 13 18 1 13 25 1 14 19 1 14 28 1 15 22 1 15 23 1 16 17 1 17 24 1 18 20 2 18 21 1 19 20 1 19 24 2 20 29 1 21 23 2 21 27 1 23 24 1 25 26 1 26 27 1 28 29 1 30 28 -2 30 29 -2', '30 35 C 11.68 -4.21 C 14.09 -2.82 C 10.99 -9.61 C 11.53 -11.64 O 20.16 -6.31 O 16.51 -4.21 C 17.74 -13.29 C 16.53 -12.59 C 18.95 -12.59 C 16.53 -11.18 C 18.95 -11.18 C 18.95 -8.40 O 12.88 -6.31 O 15.02 -10.47 O 17.74 -6.31 C 17.74 -10.49 C 17.74 -9.10 C 14.10 -7.00 C 15.31 -9.10 C 14.10 -8.40 C 15.31 -6.31 C 18.95 -7.00 C 16.53 -7.00 C 16.53 -8.40 C 12.88 -4.91 C 14.09 -4.21 C 15.31 -4.91 C 13.63 -10.61 C 13.06 -9.34 C 12.15 -10.39 25 1 -1 26 2 -1 3 30 1 4 30 1 5 22 2 27 6 -1 7 8 2 7 9 1 8 10 1 9 11 2 10 16 2 11 16 1 12 17 2 12 22 1 13 18 1 13 25 1 14 19 1 14 28 1 15 22 1 15 23 1 16 17 1 17 24 1 18 20 2 18 21 1 19 20 1 19 24 2 20 29 1 21 23 2 21 27 1 23 24 1 25 26 1 26 27 1 28 29 1 30 28 -2 30 29 -2', '30 35 C:16 11.68 -4.21 C:11 14.09 -2.82 C:13 10.99 -9.61 C:13 11.53 -11.64 O 20.16 -6.31 O 16.51 -4.21 C:128 17.74 -13.29 C:128 16.53 -12.59 C:128 18.95 -12.59 C:128 16.53 -11.18 C:128 18.95 -11.18 C:111 18.95 -8.40 O 12.88 -6.31 O 15.02 -10.47 O 17.74 -6.31 C:138 17.74 -10.49 C:155 17.74 -9.10 C:153 14.10 -7.00 C:158 15.31 -9.10 C:112 14.10 -8.40 C:106 15.31 -6.31 C:161 18.95 -7.00 C:153 16.53 -7.00 C:99 16.53 -8.40 C:76 12.88 -4.91 C:36 14.09 -4.21 C:63 15.31 -4.91 C:73 13.63 -10.61 C:29 13.06 -9.34 C:23 12.15 -10.39 25 1 -1 26 2 -1 3 30 1 4 30 1 5 22 2 27 6 -1 7 8 2 7 9 1 8 10 1 9 11 2 10 16 2 11 16 1 12 17 2 12 22 1 13 18 1 13 25 1 14 19 1 14 28 1 15 22 1 15 23 1 16 17 1 17 24 1 18 20 2 18 21 1 19 20 1 19 24 2 20 29 1 21 23 2 21 27 1 23 24 1 25 26 1 26 27 1 28 29 1 30 28 -2 30 29 -2', 'C25H24O5', 404.264, 'C', '56', 1767, '', '', '3', 1, NULL, NULL),
(4635, 'Inophyllum G-2', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8004][C@@H:8003]6O[c:7]5[c:6]1[c:5](O[C@@H:6002]2[C@H:6001]1[C:6003]2([CH3:6004])[CH3:6301])[c:10]4[c:4]([c:101]3[cH:102][cH:103][cH:104][cH:105][cH:106]3)[cH:3][c:2](=O)o[c:9]4[c:8]5[C@H:8001](O)[C@@H:8002]6[CH3:8201]', 'C[C@@H]6Oc5c1c(O[C@@H]2[C@H]1C2(C)C)c4c(c3ccccc3)cc(=O)oc4c5[C@H](O)[C@@H]6C', '[CH3:16][C@@H:76]6O[c:154]5[c:112]1[c:158](O[C@@H:13]2[C@H:29]1[C:73]2([CH3:23])[CH3:13])[c:99]4[c:155]([c:138]3[cH:128][cH:128][cH:128][cH:128][cH:128]3)[cH:111][c:161](=O)o[c:153]4[c:106]5[C@H:63](O)[C@@H:36]6[CH3:10]', '30 35 C:8004 11.68 -4.21 C:8201 14.09 -2.82 C:6301 10.99 -9.61 C:6004 11.53 -11.64 O 20.16 -6.31 O 16.51 -4.21 C:104 17.74 -13.29 C:105 16.53 -12.59 C:103 18.95 -12.59 C:106 16.53 -11.18 C:102 18.95 -11.18 C:3 18.95 -8.40 O 12.88 -6.31 O 15.02 -10.47 O 17.74 -6.31 C:101 17.74 -10.49 C:4 17.74 -9.10 C:7 14.10 -7.00 C:5 15.31 -9.10 C:6 14.10 -8.40 C:8 15.31 -6.31 C:2 18.95 -7.00 C:9 16.53 -7.00 C:10 16.53 -8.40 C:8003 12.88 -4.91 C:8002 14.09 -4.21 C:8001 15.31 -4.91 C:6002 13.63 -10.61 C:6001 13.06 -9.34 C:6003 12.15 -10.39 25 1 -1 26 2 -1 3 30 1 4 30 1 5 22 2 27 6 -1 7 8 2 7 9 1 8 10 1 9 11 2 10 16 2 11 16 1 12 17 2 12 22 1 13 18 1 13 25 1 14 19 1 14 28 1 15 22 1 15 23 1 16 17 1 17 24 1 18 20 2 18 21 1 19 20 1 19 24 2 20 29 1 21 23 2 21 27 1 23 24 1 25 26 1 26 27 1 28 29 1 28 30 -1 29 30 -1', '30 35 C 11.68 -4.21 C 14.09 -2.82 C 10.99 -9.61 C 11.53 -11.64 O 20.16 -6.31 O 16.51 -4.21 C 17.74 -13.29 C 16.53 -12.59 C 18.95 -12.59 C 16.53 -11.18 C 18.95 -11.18 C 18.95 -8.40 O 12.88 -6.31 O 15.02 -10.47 O 17.74 -6.31 C 17.74 -10.49 C 17.74 -9.10 C 14.10 -7.00 C 15.31 -9.10 C 14.10 -8.40 C 15.31 -6.31 C 18.95 -7.00 C 16.53 -7.00 C 16.53 -8.40 C 12.88 -4.91 C 14.09 -4.21 C 15.31 -4.91 C 13.63 -10.61 C 13.06 -9.34 C 12.15 -10.39 25 1 -1 26 2 -1 3 30 1 4 30 1 5 22 2 27 6 -1 7 8 2 7 9 1 8 10 1 9 11 2 10 16 2 11 16 1 12 17 2 12 22 1 13 18 1 13 25 1 14 19 1 14 28 1 15 22 1 15 23 1 16 17 1 17 24 1 18 20 2 18 21 1 19 20 1 19 24 2 20 29 1 21 23 2 21 27 1 23 24 1 25 26 1 26 27 1 28 29 1 28 30 -1 29 30 -1', '30 35 C:16 11.68 -4.21 C:10 14.09 -2.82 C:13 10.99 -9.61 C:23 11.53 -11.64 O 20.16 -6.31 O 16.51 -4.21 C:128 17.74 -13.29 C:128 16.53 -12.59 C:128 18.95 -12.59 C:128 16.53 -11.18 C:128 18.95 -11.18 C:111 18.95 -8.40 O 12.88 -6.31 O 15.02 -10.47 O 17.74 -6.31 C:138 17.74 -10.49 C:155 17.74 -9.10 C:154 14.10 -7.00 C:158 15.31 -9.10 C:112 14.10 -8.40 C:106 15.31 -6.31 C:161 18.95 -7.00 C:153 16.53 -7.00 C:99 16.53 -8.40 C:76 12.88 -4.91 C:36 14.09 -4.21 C:63 15.31 -4.91 C:13 13.63 -10.61 C:29 13.06 -9.34 C:73 12.15 -10.39 25 1 -1 26 2 -1 3 30 1 4 30 1 5 22 2 27 6 -1 7 8 2 7 9 1 8 10 1 9 11 2 10 16 2 11 16 1 12 17 2 12 22 1 13 18 1 13 25 1 14 19 1 14 28 1 15 22 1 15 23 1 16 17 1 17 24 1 18 20 2 18 21 1 19 20 1 19 24 2 20 29 1 21 23 2 21 27 1 23 24 1 25 26 1 26 27 1 28 29 1 28 30 -1 29 30 -1', 'C25H24O5', 404.264, 'C', '57', 1767, '', '', '3', 1, NULL, NULL),
(4636, 'Inophyllum P', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:8004][C@@H:8003]5O[c:7]4[c:6]1[CH:6001]=[CH:6002][C:6003]([CH3:6301])([CH3:6004])O[c:5]1[c:10]3[c:4]([c:101]2[cH:106][cH:105][cH:104][cH:103][cH:102]2)[cH:3][c:2](=O)o[c:9]3[c:8]4[C@@H:8001](O)[C@H:8002]5[CH3:8201]', 'C[C@@H]5Oc4c1C=CC(C)(C)Oc1c3c(c2ccccc2)cc(=O)oc3c4[C@@H](O)[C@H]5C', '[CH3:19][C@@H:77]5O[c:154]4[c:106]1[CH:116]=[CH:128][C:77]([CH3:27])([CH3:27])O[c:151]1[c:104]3[c:156]([c:140]2[cH:127][cH:127][cH:127][cH:127][cH:127]2)[cH:112][c:160](=O)o[c:154]3[c:106]4[C@@H:67](O)[C@H:40]5[CH3:15]', '30 34 C:8004 11.32 -4.24 C:8201 13.76 -2.83 C:6004 12.54 -11.92 C:6301 14.96 -11.93 O 19.83 -6.33 C:6001 12.54 -9.12 C:6002 12.54 -10.52 C:104 17.40 -13.33 C:103 18.61 -12.63 C:105 16.19 -12.63 C:102 18.61 -11.22 C:106 16.19 -11.22 C:3 18.61 -8.43 O 12.54 -6.33 O 14.96 -10.53 O 17.40 -6.33 C:101 17.40 -10.52 C:6 13.75 -8.43 C:7 13.75 -7.03 C:4 17.40 -9.13 C:5 14.96 -9.13 C:8 14.96 -6.33 C:2 18.61 -7.03 C:9 16.19 -7.03 C:10 16.19 -8.43 C:8003 12.53 -4.93 C:8002 13.75 -4.23 C:8001 14.96 -4.93 C:6003 13.75 -11.23 O 16.17 -4.23 26 1 -1 27 2 -2 3 29 1 4 29 1 5 23 2 6 7 2 6 18 1 7 29 1 8 9 1 8 10 2 9 11 2 10 12 1 11 17 1 12 17 2 13 20 2 13 23 1 14 19 1 14 26 1 15 21 1 15 29 1 16 23 1 16 24 1 17 20 1 18 19 2 18 21 1 19 22 1 20 25 1 21 25 2 22 24 2 22 28 1 24 25 1 26 27 1 27 28 1 28 30 -2', '30 34 C 11.32 -4.24 C 13.76 -2.83 C 12.54 -11.92 C 14.96 -11.93 O 19.83 -6.33 C 12.54 -9.12 C 12.54 -10.52 C 17.40 -13.33 C 18.61 -12.63 C 16.19 -12.63 C 18.61 -11.22 C 16.19 -11.22 C 18.61 -8.43 O 12.54 -6.33 O 14.96 -10.53 O 17.40 -6.33 C 17.40 -10.52 C 13.75 -8.43 C 13.75 -7.03 C 17.40 -9.13 C 14.96 -9.13 C 14.96 -6.33 C 18.61 -7.03 C 16.19 -7.03 C 16.19 -8.43 C 12.53 -4.93 C 13.75 -4.23 C 14.96 -4.93 C 13.75 -11.23 O 16.17 -4.23 26 1 -1 27 2 -2 3 29 1 4 29 1 5 23 2 6 7 2 6 18 1 7 29 1 8 9 1 8 10 2 9 11 2 10 12 1 11 17 1 12 17 2 13 20 2 13 23 1 14 19 1 14 26 1 15 21 1 15 29 1 16 23 1 16 24 1 17 20 1 18 19 2 18 21 1 19 22 1 20 25 1 21 25 2 22 24 2 22 28 1 24 25 1 26 27 1 27 28 1 28 30 -2', '30 34 C:19 11.32 -4.24 C:15 13.76 -2.83 C:27 12.54 -11.92 C:27 14.96 -11.93 O 19.83 -6.33 C:116 12.54 -9.12 C:128 12.54 -10.52 C:127 17.40 -13.33 C:127 18.61 -12.63 C:127 16.19 -12.63 C:127 18.61 -11.22 C:127 16.19 -11.22 C:112 18.61 -8.43 O 12.54 -6.33 O 14.96 -10.53 O 17.40 -6.33 C:140 17.40 -10.52 C:106 13.75 -8.43 C:154 13.75 -7.03 C:156 17.40 -9.13 C:151 14.96 -9.13 C:106 14.96 -6.33 C:160 18.61 -7.03 C:154 16.19 -7.03 C:104 16.19 -8.43 C:77 12.53 -4.93 C:40 13.75 -4.23 C:67 14.96 -4.93 C:77 13.75 -11.23 O 16.17 -4.23 26 1 -1 27 2 -2 3 29 1 4 29 1 5 23 2 6 7 2 6 18 1 7 29 1 8 9 1 8 10 2 9 11 2 10 12 1 11 17 1 12 17 2 13 20 2 13 23 1 14 19 1 14 26 1 15 21 1 15 29 1 16 23 1 16 24 1 17 20 1 18 19 2 18 21 1 19 22 1 20 25 1 21 25 2 22 24 2 22 28 1 24 25 1 26 27 1 27 28 1 28 30 -2', 'C25H24O5', 404.264, 'C', '58', 1767, '', '', '3', 1, NULL, NULL),
(4637, 'Interruptin A', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6001][c:6]4[c:7](O)[c:8]([C:8001](=O)[CH2:8002][CH2:8003][c:8004]1[cH:8005][cH:8006][cH:8007][cH:8008][cH:8009]1)[c:9]3o[c:2](=O)[cH:3][c:4]([c:101]2[cH:106][cH:105][cH:104][cH:103][cH:102]2)[c:10]3[c:5]4O', 'Cc4c(O)c(C(=O)CCc1ccccc1)c3oc(=O)cc(c2ccccc2)c3c4O', '[CH3:8][c:106]4[c:165](O)[c:107]([C:206](=O)[CH2:47][CH2:30][c:141]1[cH:128][cH:128][cH:131][cH:128][cH:128]1)[c:157]3o[c:159](=O)[cH:113][c:153]([c:136]2[cH:128][cH:130][cH:126][cH:130][cH:128]2)[c:100]3[c:157]4O', '30 33 O 19.21 -7.73 C:6001 11.92 -10.52 C:104 16.78 -14.72 C:103 17.99 -14.02 C:105 15.57 -14.02 C:102 17.99 -12.62 C:106 15.57 -12.62 C:3 17.99 -9.83 O 11.92 -7.73 O 14.34 -11.93 O 16.78 -7.73 C:101 16.78 -11.92 C:6 13.13 -9.83 C:7 13.13 -8.43 C:4 16.78 -10.53 C:5 14.34 -10.53 C:8 14.34 -7.73 C:2 17.99 -8.43 C:9 15.57 -8.43 C:10 15.57 -9.83 C:8001 14.34 -6.33 C:8002 15.55 -5.63 C:8003 15.55 -4.23 C:8004 16.76 -3.53 C:8009 17.98 -4.23 C:8008 19.19 -3.53 C:8007 19.19 -2.13 C:8006 17.98 -1.43 C:8005 16.76 -2.13 O 13.13 -5.63 1 18 2 2 13 1 3 4 1 3 5 2 4 6 2 5 7 1 6 12 1 7 12 2 8 15 2 8 18 1 9 14 1 10 16 1 11 18 1 11 19 1 12 15 1 13 14 2 13 16 1 14 17 1 15 20 1 16 20 2 17 19 2 17 21 1 19 20 1 21 22 1 22 23 1 23 24 1 25 26 1 26 27 2 27 28 1 28 29 2 24 29 1 24 25 2 21 30 2', '30 33 O 19.21 -7.73 C 11.92 -10.52 C 16.78 -14.72 C 17.99 -14.02 C 15.57 -14.02 C 17.99 -12.62 C 15.57 -12.62 C 17.99 -9.83 O 11.92 -7.73 O 14.34 -11.93 O 16.78 -7.73 C 16.78 -11.92 C 13.13 -9.83 C 13.13 -8.43 C 16.78 -10.53 C 14.34 -10.53 C 14.34 -7.73 C 17.99 -8.43 C 15.57 -8.43 C 15.57 -9.83 C 14.34 -6.33 C 15.55 -5.63 C 15.55 -4.23 C 16.76 -3.53 C 17.98 -4.23 C 19.19 -3.53 C 19.19 -2.13 C 17.98 -1.43 C 16.76 -2.13 O 13.13 -5.63 1 18 2 2 13 1 3 4 1 3 5 2 4 6 2 5 7 1 6 12 1 7 12 2 8 15 2 8 18 1 9 14 1 10 16 1 11 18 1 11 19 1 12 15 1 13 14 2 13 16 1 14 17 1 15 20 1 16 20 2 17 19 2 17 21 1 19 20 1 21 22 1 22 23 1 23 24 1 25 26 1 26 27 2 27 28 1 28 29 2 24 29 1 24 25 2 21 30 2', '30 33 O 19.21 -7.73 C:8 11.92 -10.52 C:126 16.78 -14.72 C:130 17.99 -14.02 C:130 15.57 -14.02 C:128 17.99 -12.62 C:128 15.57 -12.62 C:113 17.99 -9.83 O 11.92 -7.73 O 14.34 -11.93 O 16.78 -7.73 C:136 16.78 -11.92 C:106 13.13 -9.83 C:165 13.13 -8.43 C:153 16.78 -10.53 C:157 14.34 -10.53 C:107 14.34 -7.73 C:159 17.99 -8.43 C:157 15.57 -8.43 C:100 15.57 -9.83 C:206 14.34 -6.33 C:47 15.55 -5.63 C:30 15.55 -4.23 C:141 16.76 -3.53 C:128 17.98 -4.23 C:128 19.19 -3.53 C:131 19.19 -2.13 C:128 17.98 -1.43 C:128 16.76 -2.13 O 13.13 -5.63 1 18 2 2 13 1 3 4 1 3 5 2 4 6 2 5 7 1 6 12 1 7 12 2 8 15 2 8 18 1 9 14 1 10 16 1 11 18 1 11 19 1 12 15 1 13 14 2 13 16 1 14 17 1 15 20 1 16 20 2 17 19 2 17 21 1 19 20 1 21 22 1 22 23 1 23 24 1 25 26 1 26 27 2 27 28 1 28 29 2 24 29 1 24 25 2 21 30 2', 'C25H20O5', 400.264, 'C', '59', 1834, '', '', '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
(4650, 'Calocoumarin C', '', 'Flavonoids', 'Neoflavonoids', '', '[H][C@:6002]56O[c:5]3[c:6]([c:7]1O[C@@H:8003]([CH3:8004])[C@@H:8002]([CH3:8201])[C:8001](=O)[c:8]1[c:9]4o[c:2](=O)[cH:3][c:4]([c:101]2[cH:106][cH:105][cH:104][cH:103][cH:102]2)[c:10]34)[C@@:6001]5([H])[C:6003]6([CH3:6301])[CH3:6004]', '[H][C@]56Oc3c(c1O[C@@H](C)[C@@H](C)C(=O)c1c4oc(=O)cc(c2ccccc2)c34)[C@@]5([H])C6(C)C', '[H][C@:9999]56O[c:9999]3[c:9999]([c:9999]1O[C@@H:9999]([CH3:9999])[C@@H:9999]([CH3:9999])[C:9999](=O)[c:9999]1[c:9999]4o[c:9999](=O)[cH:9999][c:9999]([c:9999]2[cH:9999][cH:9999][cH:9999][cH:9999][cH:9999]2)[c:9999]34)[C@@:9999]5([H])[C:9999]6([CH3:9999])[CH3:9999]', '32 37 H 13.99 -14.62 H 12.44 -11.74 C:8004 11.62 -7.20 C:8201 14.08 -5.79 C:6301 10.92 -12.71 C:6004 11.47 -14.78 O 16.53 -7.20 O 20.25 -9.34 C:104 17.79 -16.46 C:105 16.55 -15.74 C:103 19.02 -15.74 C:106 16.55 -14.31 C:102 19.02 -14.31 C:3 19.02 -11.47 O 12.85 -9.34 O 15.03 -13.58 O 17.79 -9.34 C:8001 15.32 -7.92 C:101 17.79 -13.60 C:4 17.79 -12.19 C:7 14.09 -10.05 C:5 15.32 -12.19 C:8 15.32 -9.34 C:6 14.09 -11.47 C:2 19.02 -10.05 C:9 16.55 -10.05 C:10 16.55 -11.47 C:8003 12.85 -7.92 C:8002 14.08 -7.20 C:6003 12.10 -13.50 C:6002 13.61 -13.73 C:6001 13.03 -12.43 31 1 -1 32 2 -1 28 3 -1 29 4 -1 5 30 1 6 30 1 7 18 2 8 25 2 9 10 2 9 11 1 10 12 1 11 13 2 12 19 2 13 19 1 14 20 2 14 25 1 15 21 1 15 28 1 16 22 1 16 31 1 17 25 1 17 26 1 18 23 1 18 29 1 19 20 1 20 27 1 21 23 1 21 24 2 22 24 1 22 27 2 23 26 2 24 32 1 26 27 1 28 29 1 30 31 1 30 32 1 31 32 1', '32 37 H 13.99 -14.62 H 12.44 -11.74 C 11.62 -7.20 C 14.08 -5.79 C 10.92 -12.71 C 11.47 -14.78 O 16.53 -7.20 O 20.25 -9.34 C 17.79 -16.46 C 16.55 -15.74 C 19.02 -15.74 C 16.55 -14.31 C 19.02 -14.31 C 19.02 -11.47 O 12.85 -9.34 O 15.03 -13.58 O 17.79 -9.34 C 15.32 -7.92 C 17.79 -13.60 C 17.79 -12.19 C 14.09 -10.05 C 15.32 -12.19 C 15.32 -9.34 C 14.09 -11.47 C 19.02 -10.05 C 16.55 -10.05 C 16.55 -11.47 C 12.85 -7.92 C 14.08 -7.20 C 12.10 -13.50 C 13.61 -13.73 C 13.03 -12.43 31 1 -1 32 2 -1 28 3 -1 29 4 -1 5 30 1 6 30 1 7 18 2 8 25 2 9 10 2 9 11 1 10 12 1 11 13 2 12 19 2 13 19 1 14 20 2 14 25 1 15 21 1 15 28 1 16 22 1 16 31 1 17 25 1 17 26 1 18 23 1 18 29 1 19 20 1 20 27 1 21 23 1 21 24 2 22 24 1 22 27 2 23 26 2 24 32 1 26 27 1 28 29 1 30 31 1 30 32 1 31 32 1', '32 37 H 13.99 -14.62 H 12.44 -11.74 C 11.62 -7.20 C 14.08 -5.79 C 10.92 -12.71 C 11.47 -14.78 O 16.53 -7.20 O 20.25 -9.34 C 17.79 -16.46 C 16.55 -15.74 C 19.02 -15.74 C 16.55 -14.31 C 19.02 -14.31 C 19.02 -11.47 O 12.85 -9.34 O 15.03 -13.58 O 17.79 -9.34 C 15.32 -7.92 C 17.79 -13.60 C 17.79 -12.19 C 14.09 -10.05 C 15.32 -12.19 C 15.32 -9.34 C 14.09 -11.47 C 19.02 -10.05 C 16.55 -10.05 C 16.55 -11.47 C 12.85 -7.92 C 14.08 -7.20 C 12.10 -13.50 C 13.61 -13.73 C 13.03 -12.43 31 1 -1 32 2 -1 28 3 -1 29 4 -1 5 30 1 6 30 1 7 18 2 8 25 2 9 10 2 9 11 1 10 12 1 11 13 2 12 19 2 13 19 1 14 20 2 14 25 1 15 21 1 15 28 1 16 22 1 16 31 1 17 25 1 17 26 1 18 23 1 18 29 1 19 20 1 20 27 1 21 23 1 21 24 2 22 24 1 22 27 2 23 26 2 24 32 1 26 27 1 28 29 1 30 31 1 30 32 1 31 32 1', 'C25H22O5', 402.28, '', '72', 973, '', '', '3', 1, NULL, NULL),
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(4662, 'Mammea A/AB cyclo D (MAB 5)', '5-hydroxy-6-(2-methyl-1-oxobutyl)-4-phenyl-6'',6''-dimethylpyrano(2'',3'':7,8)-coumarin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6004][CH2:6003][CH:6002]([CH3:6201])[C:6001](=O)[c:6]4[c:5](O)[c:10]2[c:4]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)[cH:3][c:2](=O)o[c:9]2[c:8]3[CH:8001]=[CH:8002][C:8003]([CH3:8004])([CH3:8301])O[c:7]34', 'CCC(C)C(=O)c4c(O)c2c(c1ccccc1)cc(=O)oc2c3C=CC(C)(C)Oc34', '[CH3:12][CH2:27][CH:47]([CH3:17])[C:211](=O)[c:107]4[c:164](O)[c:102]2[c:155]([c:139]1[cH:127][cH:128][cH:128][cH:128][cH:127]1)[cH:113][c:160](=O)o[c:158]2[c:101]3[CH:115]=[CH:126][C:80]([CH3:28])([CH3:28])O[c:156]34', '30 33 C:6004 10.13 -8.01 C:8301 13.37 -3.19 C:8004 12.38 -4.80 O 13.77 -10.13 O 21.04 -5.94 O 16.17 -10.14 C:8001 16.17 -4.54 C:8002 14.96 -3.84 C:104 18.61 -12.94 C:103 19.82 -12.24 C:105 17.40 -12.24 C:102 19.82 -10.83 C:106 17.40 -10.83 C:3 19.82 -8.04 C:6002 12.55 -8.02 O 13.76 -5.94 O 18.61 -5.94 C:6001 13.76 -8.73 C:101 18.61 -10.13 C:5 16.17 -8.74 C:8 16.17 -5.94 C:4 18.61 -8.74 C:7 14.96 -6.64 C:6 14.96 -8.04 C:2 19.82 -6.64 C:9 17.40 -6.64 C:10 17.40 -8.04 C:6003 11.33 -8.72 C:8003 13.75 -4.54 C:6201 12.56 -6.62 1 28 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 2 7 21 1 8 29 1 9 10 1 9 11 2 10 12 2 11 13 1 12 19 1 13 19 2 14 22 2 14 25 1 15 18 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1 15 30 1', '30 33 C 10.13 -8.01 C 13.37 -3.19 C 12.38 -4.80 O 13.77 -10.13 O 21.04 -5.94 O 16.17 -10.14 C 16.17 -4.54 C 14.96 -3.84 C 18.61 -12.94 C 19.82 -12.24 C 17.40 -12.24 C 19.82 -10.83 C 17.40 -10.83 C 19.82 -8.04 C 12.55 -8.02 O 13.76 -5.94 O 18.61 -5.94 C 13.76 -8.73 C 18.61 -10.13 C 16.17 -8.74 C 16.17 -5.94 C 18.61 -8.74 C 14.96 -6.64 C 14.96 -8.04 C 19.82 -6.64 C 17.40 -6.64 C 17.40 -8.04 C 11.33 -8.72 C 13.75 -4.54 C 12.56 -6.62 1 28 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 2 7 21 1 8 29 1 9 10 1 9 11 2 10 12 2 11 13 1 12 19 1 13 19 2 14 22 2 14 25 1 15 18 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1 15 30 1', '30 33 C:12 10.13 -8.01 C:28 13.37 -3.19 C:28 12.38 -4.80 O 13.77 -10.13 O 21.04 -5.94 O 16.17 -10.14 C:115 16.17 -4.54 C:126 14.96 -3.84 C:128 18.61 -12.94 C:128 19.82 -12.24 C:128 17.40 -12.24 C:127 19.82 -10.83 C:127 17.40 -10.83 C:113 19.82 -8.04 C:47 12.55 -8.02 O 13.76 -5.94 O 18.61 -5.94 C:211 13.76 -8.73 C:139 18.61 -10.13 C:164 16.17 -8.74 C:101 16.17 -5.94 C:155 18.61 -8.74 C:156 14.96 -6.64 C:107 14.96 -8.04 C:160 19.82 -6.64 C:158 17.40 -6.64 C:102 17.40 -8.04 C:27 11.33 -8.72 C:80 13.75 -4.54 C:17 12.56 -6.62 1 28 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 2 7 21 1 8 29 1 9 10 1 9 11 2 10 12 2 11 13 1 12 19 1 13 19 2 14 22 2 14 25 1 15 18 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1 15 30 1', 'C25H24O5', 404.264, 'C', '84', 432, '', '', '3', 1, NULL, NULL),
(4663, 'Mammea A/AB cyclo E', '9,10-dihydro-5,9-dihydroxy-8,8-dimethyl-6-(2-methyl-1-oxobutyl)-4-phenyl-2H,8H-benzo[1,2-b:5,6-b'']-dipyran-2-one', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6004][CH2:6003][CH:6002]([CH3:6201])[C:6001](=O)[c:6]4[c:5](O)[c:10]2[c:4]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)[cH:3][c:2](=O)o[c:9]2[c:8]3[CH2:8001][CH:8002](O)[C:8003]([CH3:8004])([CH3:8301])O[c:7]34', 'CCC(C)C(=O)c4c(O)c2c(c1ccccc1)cc(=O)oc2c3CC(O)C(C)(C)Oc34', '[CH3:12][CH2:26][CH:46]([CH3:17])[C:210](=O)[c:103]4[c:165](O)[c:103]2[c:157]([c:139]1[cH:127][cH:128][cH:128][cH:128][cH:127]1)[cH:112][c:160](=O)o[c:156]2[c:105]3[CH2:27][CH:89](O)[C:83]([CH3:20])([CH3:21])O[c:164]34', '31 34 C:6004 10.13 -8.40 C:8301 13.37 -3.58 C:8004 12.38 -5.19 O 13.77 -10.52 O 21.04 -6.33 O 16.17 -10.53 C:8001 16.17 -4.93 C:8002 14.96 -4.23 C:104 18.61 -13.33 C:103 19.82 -12.63 C:105 17.40 -12.63 C:102 19.82 -11.22 C:106 17.40 -11.22 C:3 19.82 -8.43 C:6002 12.55 -8.41 O 13.76 -6.33 O 18.61 -6.33 C:6001 13.76 -9.12 C:101 18.61 -10.52 C:5 16.17 -9.13 C:8 16.17 -6.33 C:4 18.61 -9.13 C:7 14.96 -7.03 C:6 14.96 -8.43 C:2 19.82 -7.03 C:9 17.40 -7.03 C:10 17.40 -8.43 C:6003 11.33 -9.11 C:8003 13.75 -4.93 C:6201 12.56 -7.01 O 14.96 -2.83 1 28 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 1 7 21 1 8 29 1 9 10 1 9 11 2 10 12 2 11 13 1 12 19 1 13 19 2 14 22 2 14 25 1 15 18 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1 15 30 1 8 31 1', '31 34 C 10.13 -8.40 C 13.37 -3.58 C 12.38 -5.19 O 13.77 -10.52 O 21.04 -6.33 O 16.17 -10.53 C 16.17 -4.93 C 14.96 -4.23 C 18.61 -13.33 C 19.82 -12.63 C 17.40 -12.63 C 19.82 -11.22 C 17.40 -11.22 C 19.82 -8.43 C 12.55 -8.41 O 13.76 -6.33 O 18.61 -6.33 C 13.76 -9.12 C 18.61 -10.52 C 16.17 -9.13 C 16.17 -6.33 C 18.61 -9.13 C 14.96 -7.03 C 14.96 -8.43 C 19.82 -7.03 C 17.40 -7.03 C 17.40 -8.43 C 11.33 -9.11 C 13.75 -4.93 C 12.56 -7.01 O 14.96 -2.83 1 28 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 1 7 21 1 8 29 1 9 10 1 9 11 2 10 12 2 11 13 1 12 19 1 13 19 2 14 22 2 14 25 1 15 18 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1 15 30 1 8 31 1', '31 34 C:12 10.13 -8.40 C:21 13.37 -3.58 C:20 12.38 -5.19 O 13.77 -10.52 O 21.04 -6.33 O 16.17 -10.53 C:27 16.17 -4.93 C:89 14.96 -4.23 C:128 18.61 -13.33 C:128 19.82 -12.63 C:128 17.40 -12.63 C:127 19.82 -11.22 C:127 17.40 -11.22 C:112 19.82 -8.43 C:46 12.55 -8.41 O 13.76 -6.33 O 18.61 -6.33 C:210 13.76 -9.12 C:139 18.61 -10.52 C:165 16.17 -9.13 C:105 16.17 -6.33 C:157 18.61 -9.13 C:164 14.96 -7.03 C:103 14.96 -8.43 C:160 19.82 -7.03 C:156 17.40 -7.03 C:103 17.40 -8.43 C:26 11.33 -9.11 C:83 13.75 -4.93 C:17 12.56 -7.01 O 14.96 -2.83 1 28 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 1 7 21 1 8 29 1 9 10 1 9 11 2 10 12 2 11 13 1 12 19 1 13 19 2 14 22 2 14 25 1 15 18 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1 15 30 1 8 31 1', 'C25H26O6', 422.264, 'C', '85', 783, '', '', '3', 1, NULL, NULL),
(4664, 'Mammea A/AB cyclo F (MAB 3)', '4,5-dihydro-5-hydroxy-5-(1-hydroxy-1-methylethyl)-6-(2-methylbutyryl)-4-phenylfuro[2,3:7,8]coumarin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6004][CH2:6003][CH:6002]([CH3:6201])[C:6001](=O)[c:6]4[c:5](O)[c:10]2[c:4]([c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[cH:3][c:2](=O)o[c:9]2[c:8]3[CH2:8001][C@H:8002]([C:8003]([CH3:8004])([CH3:8301])O)O[c:7]34', 'CCC(C)C(=O)c4c(O)c2c(c1ccccc1)cc(=O)oc2c3C[C@H](C(C)(C)O)Oc34', '[CH3:12][CH2:26][CH:46]([CH3:16])[C:210](=O)[c:103]4[c:165](O)[c:102]2[c:157]([c:139]1[cH:127][cH:128][cH:128][cH:128][cH:127]1)[cH:112][c:160](=O)o[c:155]2[c:105]3[CH2:27][C@H:93]([C:71]([CH3:26])([CH3:25])O)O[c:164]34', '31 34 C:6004 10.14 -11.71 C:6201 12.56 -10.32 C:8004 12.37 -6.92 C:8301 14.45 -5.69 O 13.76 -13.82 O 21.03 -9.63 O 16.15 -13.83 O 12.98 -5.74 C:104 18.60 -16.62 C:103 19.81 -15.93 C:105 17.39 -15.93 C:102 19.81 -14.52 C:106 17.39 -14.52 C:3 19.81 -11.74 C:6003 11.33 -12.42 C:8001 15.86 -8.26 O 13.90 -9.40 O 18.60 -9.63 C:6001 13.75 -12.43 C:101 18.60 -13.82 C:5 16.15 -12.44 C:4 18.60 -12.44 C:7 14.95 -10.33 C:8 16.15 -9.63 C:6 14.95 -11.74 C:2 19.81 -10.33 C:9 17.39 -10.33 C:10 17.39 -11.74 C:6002 12.55 -11.72 C:8002 14.46 -8.12 C:8003 13.76 -6.91 1 15 1 2 29 1 3 31 1 4 31 1 5 19 2 6 26 2 7 21 1 8 31 1 9 10 1 9 11 2 10 12 2 11 13 1 12 20 1 13 20 2 14 22 2 14 26 1 15 29 1 16 24 1 16 30 1 17 23 1 17 30 1 18 26 1 18 27 1 19 25 1 19 29 1 20 22 1 21 25 1 21 28 2 22 28 1 23 24 1 23 25 2 24 27 2 27 28 1 30 31 -1', '31 34 C 10.14 -11.71 C 12.56 -10.32 C 12.37 -6.92 C 14.45 -5.69 O 13.76 -13.82 O 21.03 -9.63 O 16.15 -13.83 O 12.98 -5.74 C 18.60 -16.62 C 19.81 -15.93 C 17.39 -15.93 C 19.81 -14.52 C 17.39 -14.52 C 19.81 -11.74 C 11.33 -12.42 C 15.86 -8.26 O 13.90 -9.40 O 18.60 -9.63 C 13.75 -12.43 C 18.60 -13.82 C 16.15 -12.44 C 18.60 -12.44 C 14.95 -10.33 C 16.15 -9.63 C 14.95 -11.74 C 19.81 -10.33 C 17.39 -10.33 C 17.39 -11.74 C 12.55 -11.72 C 14.46 -8.12 C 13.76 -6.91 1 15 1 2 29 1 3 31 1 4 31 1 5 19 2 6 26 2 7 21 1 8 31 1 9 10 1 9 11 2 10 12 2 11 13 1 12 20 1 13 20 2 14 22 2 14 26 1 15 29 1 16 24 1 16 30 1 17 23 1 17 30 1 18 26 1 18 27 1 19 25 1 19 29 1 20 22 1 21 25 1 21 28 2 22 28 1 23 24 1 23 25 2 24 27 2 27 28 1 30 31 -1', '31 34 C:12 10.14 -11.71 C:16 12.56 -10.32 C:26 12.37 -6.92 C:25 14.45 -5.69 O 13.76 -13.82 O 21.03 -9.63 O 16.15 -13.83 O 12.98 -5.74 C:128 18.60 -16.62 C:128 19.81 -15.93 C:128 17.39 -15.93 C:127 19.81 -14.52 C:127 17.39 -14.52 C:112 19.81 -11.74 C:26 11.33 -12.42 C:27 15.86 -8.26 O 13.90 -9.40 O 18.60 -9.63 C:210 13.75 -12.43 C:139 18.60 -13.82 C:165 16.15 -12.44 C:157 18.60 -12.44 C:164 14.95 -10.33 C:105 16.15 -9.63 C:103 14.95 -11.74 C:160 19.81 -10.33 C:155 17.39 -10.33 C:102 17.39 -11.74 C:46 12.55 -11.72 C:93 14.46 -8.12 C:71 13.76 -6.91 1 15 1 2 29 1 3 31 1 4 31 1 5 19 2 6 26 2 7 21 1 8 31 1 9 10 1 9 11 2 10 12 2 11 13 1 12 20 1 13 20 2 14 22 2 14 26 1 15 29 1 16 24 1 16 30 1 17 23 1 17 30 1 18 26 1 18 27 1 19 25 1 19 29 1 20 22 1 21 25 1 21 28 2 22 28 1 23 24 1 23 25 2 24 27 2 27 28 1 30 31 -1', 'C25H26O6', 422.264, 'C', '86', 781, '', '', '3', 1, NULL, NULL),
(4665, 'Mammea A/AC', '', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6004][CH2:6003][CH2:6002][C:6001](=O)[c:6]3[c:7](O)[c:8]([CH2:8001][CH:8002]=[C:8003]([CH3:8301])[CH3:8004])[c:9]2o[c:2](=O)[cH:3][c:4]([c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)[c:10]2[c:5]3O', 'CCCC(=O)c3c(O)c(CC=C(C)C)c2oc(=O)cc(c1ccccc1)c2c3O', '[CH3:14][CH2:18][CH2:47][C:207](=O)[c:108]3[c:163](O)[c:108]([CH2:22][CH:121]=[C:135]([CH3:18])[CH3:26])[c:157]2o[c:159](=O)[cH:113][c:160]([c:137]1[cH:127][cH:129][cH:130][cH:129][cH:127]1)[c:101]2[c:154]3O', '29 31 C:8004 18.59 -2.47 C:8301 16.16 -2.47 C:6004 10.14 -8.74 O 13.77 -10.86 O 21.03 -6.66 O 13.76 -6.66 O 16.16 -10.87 C:8002 17.38 -4.56 C:104 18.60 -13.66 C:103 19.81 -12.97 C:105 17.39 -12.97 C:102 19.81 -11.56 C:106 17.39 -11.56 C:3 19.81 -8.77 C:8001 16.16 -5.26 C:6002 12.56 -8.75 O 18.60 -6.66 C:8003 17.38 -3.17 C:6001 13.76 -9.46 C:7 14.96 -7.36 C:101 18.60 -10.86 C:5 16.16 -9.47 C:4 18.60 -9.47 C:8 16.16 -6.66 C:6 14.96 -8.77 C:2 19.81 -7.36 C:9 17.39 -7.36 C:10 17.39 -8.77 C:6003 11.34 -9.45 1 18 1 2 18 1 3 29 1 4 19 2 5 26 2 6 20 1 7 22 1 8 15 1 8 18 2 9 10 1 9 11 2 10 12 2 11 13 1 12 21 1 13 21 2 14 23 2 14 26 1 15 24 1 16 19 1 16 29 1 17 26 1 17 27 1 19 25 1 20 24 1 20 25 2 21 23 1 22 25 1 22 28 2 23 28 1 24 27 2 27 28 1', '29 31 C 18.59 -2.47 C 16.16 -2.47 C 10.14 -8.74 O 13.77 -10.86 O 21.03 -6.66 O 13.76 -6.66 O 16.16 -10.87 C 17.38 -4.56 C 18.60 -13.66 C 19.81 -12.97 C 17.39 -12.97 C 19.81 -11.56 C 17.39 -11.56 C 19.81 -8.77 C 16.16 -5.26 C 12.56 -8.75 O 18.60 -6.66 C 17.38 -3.17 C 13.76 -9.46 C 14.96 -7.36 C 18.60 -10.86 C 16.16 -9.47 C 18.60 -9.47 C 16.16 -6.66 C 14.96 -8.77 C 19.81 -7.36 C 17.39 -7.36 C 17.39 -8.77 C 11.34 -9.45 1 18 1 2 18 1 3 29 1 4 19 2 5 26 2 6 20 1 7 22 1 8 15 1 8 18 2 9 10 1 9 11 2 10 12 2 11 13 1 12 21 1 13 21 2 14 23 2 14 26 1 15 24 1 16 19 1 16 29 1 17 26 1 17 27 1 19 25 1 20 24 1 20 25 2 21 23 1 22 25 1 22 28 2 23 28 1 24 27 2 27 28 1', '29 31 C:26 18.59 -2.47 C:18 16.16 -2.47 C:14 10.14 -8.74 O 13.77 -10.86 O 21.03 -6.66 O 13.76 -6.66 O 16.16 -10.87 C:121 17.38 -4.56 C:130 18.60 -13.66 C:129 19.81 -12.97 C:129 17.39 -12.97 C:127 19.81 -11.56 C:127 17.39 -11.56 C:113 19.81 -8.77 C:22 16.16 -5.26 C:47 12.56 -8.75 O 18.60 -6.66 C:135 17.38 -3.17 C:207 13.76 -9.46 C:163 14.96 -7.36 C:137 18.60 -10.86 C:154 16.16 -9.47 C:160 18.60 -9.47 C:108 16.16 -6.66 C:108 14.96 -8.77 C:159 19.81 -7.36 C:157 17.39 -7.36 C:101 17.39 -8.77 C:18 11.34 -9.45 1 18 1 2 18 1 3 29 1 4 19 2 5 26 2 6 20 1 7 22 1 8 15 1 8 18 2 9 10 1 9 11 2 10 12 2 11 13 1 12 21 1 13 21 2 14 23 2 14 26 1 15 24 1 16 19 1 16 29 1 17 26 1 17 27 1 19 25 1 20 24 1 20 25 2 21 23 1 22 25 1 22 28 2 23 28 1 24 27 2 27 28 1', 'C24H24O5', 392.254, 'C', '87', 1557, '', '', '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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(4667, 'Mammea A/AC cyclo D', '6-butyryl-5-hydroxy-4-phenylseselin', 'Flavonoids', 'Neoflavonoids', '', '[CH3:6004][CH2:6003][CH2:6002][C:6001](=O)[c:6]4[c:5](O)[c:10]2[c:4]([c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[cH:3][c:2](=O)o[c:9]2[c:8]3[CH:8001]=[CH:8002][C:8003]([CH3:8301])([CH3:8004])O[c:7]34', 'CCCC(=O)c4c(O)c2c(c1ccccc1)cc(=O)oc2c3C=CC(C)(C)Oc34', '[CH3:14][CH2:19][CH2:47][C:208](=O)[c:107]4[c:165](O)[c:103]2[c:157]([c:140]1[cH:128][cH:128][cH:129][cH:128][cH:128]1)[cH:113][c:160](=O)o[c:159]2[c:102]3[CH:116]=[CH:127][C:80]([CH3:29])([CH3:29])O[c:155]34', '29 32 C:6004 10.13 -8.01 C:8004 12.38 -4.80 C:8301 13.37 -3.19 O 13.77 -10.13 O 21.04 -5.94 O 16.17 -10.14 C:8001 16.17 -4.54 C:8002 14.96 -3.84 C:104 18.61 -12.94 C:105 17.40 -12.24 C:103 19.82 -12.24 C:106 17.40 -10.83 C:102 19.82 -10.83 C:3 19.82 -8.04 C:6003 11.33 -8.72 O 13.76 -5.94 O 18.61 -5.94 C:6001 13.76 -8.73 C:101 18.61 -10.13 C:5 16.17 -8.74 C:8 16.17 -5.94 C:4 18.61 -8.74 C:7 14.96 -6.64 C:6 14.96 -8.04 C:2 19.82 -6.64 C:9 17.40 -6.64 C:10 17.40 -8.04 C:6002 12.55 -8.02 C:8003 13.75 -4.54 1 15 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 2 7 21 1 8 29 1 9 10 2 9 11 1 10 12 1 11 13 2 12 19 2 13 19 1 14 22 2 14 25 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 18 28 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1', '29 32 C 10.13 -8.01 C 12.38 -4.80 C 13.37 -3.19 O 13.77 -10.13 O 21.04 -5.94 O 16.17 -10.14 C 16.17 -4.54 C 14.96 -3.84 C 18.61 -12.94 C 17.40 -12.24 C 19.82 -12.24 C 17.40 -10.83 C 19.82 -10.83 C 19.82 -8.04 C 11.33 -8.72 O 13.76 -5.94 O 18.61 -5.94 C 13.76 -8.73 C 18.61 -10.13 C 16.17 -8.74 C 16.17 -5.94 C 18.61 -8.74 C 14.96 -6.64 C 14.96 -8.04 C 19.82 -6.64 C 17.40 -6.64 C 17.40 -8.04 C 12.55 -8.02 C 13.75 -4.54 1 15 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 2 7 21 1 8 29 1 9 10 2 9 11 1 10 12 1 11 13 2 12 19 2 13 19 1 14 22 2 14 25 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 18 28 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1', '29 32 C:14 10.13 -8.01 C:29 12.38 -4.80 C:29 13.37 -3.19 O 13.77 -10.13 O 21.04 -5.94 O 16.17 -10.14 C:116 16.17 -4.54 C:127 14.96 -3.84 C:129 18.61 -12.94 C:128 17.40 -12.24 C:128 19.82 -12.24 C:128 17.40 -10.83 C:128 19.82 -10.83 C:113 19.82 -8.04 C:19 11.33 -8.72 O 13.76 -5.94 O 18.61 -5.94 C:208 13.76 -8.73 C:140 18.61 -10.13 C:165 16.17 -8.74 C:102 16.17 -5.94 C:157 18.61 -8.74 C:155 14.96 -6.64 C:107 14.96 -8.04 C:160 19.82 -6.64 C:159 17.40 -6.64 C:103 17.40 -8.04 C:47 12.55 -8.02 C:80 13.75 -4.54 1 15 1 2 29 1 3 29 1 4 18 2 5 25 2 6 20 1 7 8 2 7 21 1 8 29 1 9 10 2 9 11 1 10 12 1 11 13 2 12 19 2 13 19 1 14 22 2 14 25 1 15 28 1 16 23 1 16 29 1 17 25 1 17 26 1 18 24 1 18 28 1 19 22 1 20 24 1 20 27 2 21 23 1 21 26 2 22 27 1 23 24 2 26 27 1', 'C24H22O5', 390.254, 'C', '89', 1557, '', '', '3', 1, NULL, NULL),
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