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
(9387, 'Parthenolide', '4,5-Epoxy-germacra-1(10)E,11(13)-dien-12,6a-olide', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:7]23[CH2:8][CH2:9][C:10]([CH3:14])=[CH:1][CH2:2][CH2:3][C@@:4]1([CH3:15])O[C@@H:5]1[C@@:6]2([H])O[C:12](=O)[C:11]3=[CH2:13]', '[H][C@@]23CCC(C)=CCC[C@@]1(C)O[C@@H]1[C@@]2([H])OC(=O)C3=C', '[H][C@@:48]23[CH2:31][CH2:41][C:135]([CH3:17])=[CH:125][CH2:24][CH2:36][C@@:62]1([CH3:17])O[C@@H:66]1[C@@:83]2([H])O[C:169](=O)[C:139]3=[CH2:121]', '20 22 H 17.36 -10.03 H 16.44 -10.03 C:13 19.40 -12.83 C:14 16.86 -6.43 C:15 12.87 -11.06 O 16.86 -14.69 C:1 15.58 -8.50 C:2 14.38 -7.68 C:9 18.14 -8.50 C:8 18.46 -9.88 C:3 13.25 -8.57 O 15.69 -12.39 O 14.48 -11.11 C:10 16.86 -7.87 C:11 18.03 -12.39 C:12 16.86 -13.25 C:5 15.25 -9.90 C:7 17.57 -11.02 C:6 16.15 -11.02 C:4 13.72 -9.90 18 1 -2 19 2 -1 3 15 2 4 14 1 20 5 -1 6 16 2 7 8 1 7 14 2 8 11 1 9 10 1 9 14 1 10 18 1 11 20 1 12 16 1 12 19 1 17 13 -1 13 20 1 15 16 1 15 18 1 17 19 1 17 20 1 18 19 1', '20 22 H 17.36 -10.03 H 16.44 -10.03 C 19.40 -12.83 C 16.86 -6.43 C 12.87 -11.06 O 16.86 -14.69 C 15.58 -8.50 C 14.38 -7.68 C 18.14 -8.50 C 18.46 -9.88 C 13.25 -8.57 O 15.69 -12.39 O 14.48 -11.11 C 16.86 -7.87 C 18.03 -12.39 C 16.86 -13.25 C 15.25 -9.90 C 17.57 -11.02 C 16.15 -11.02 C 13.72 -9.90 18 1 -2 19 2 -1 3 15 2 4 14 1 20 5 -1 6 16 2 7 8 1 7 14 2 8 11 1 9 10 1 9 14 1 10 18 1 11 20 1 12 16 1 12 19 1 17 13 -1 13 20 1 15 16 1 15 18 1 17 19 1 17 20 1 18 19 1', '20 22 H 17.36 -10.03 H 16.44 -10.03 C:121 19.40 -12.83 C:17 16.86 -6.43 C:17 12.87 -11.06 O 16.86 -14.69 C:125 15.58 -8.50 C:24 14.38 -7.68 C:41 18.14 -8.50 C:31 18.46 -9.88 C:36 13.25 -8.57 O 15.69 -12.39 O 14.48 -11.11 C:135 16.86 -7.87 C:139 18.03 -12.39 C:169 16.86 -13.25 C:66 15.25 -9.90 C:48 17.57 -11.02 C:83 16.15 -11.02 C:62 13.72 -9.90 18 1 -2 19 2 -1 3 15 2 4 14 1 20 5 -1 6 16 2 7 8 1 7 14 2 8 11 1 9 10 1 9 14 1 10 18 1 11 20 1 12 16 1 12 19 1 17 13 -1 13 20 1 15 16 1 15 18 1 17 19 1 17 20 1 18 19 1', 'C15H20O3', 248.175, 'C', 'ph59_529_5', 2458, 'Ray X', '', '1', 18, NULL, NULL),
(9388, 'Sipaucin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH3:12002][C:12001](=O)O[CH2:12][C@:11]1([CH3:13])O[C@@:7]13[CH2:8][C:9](=O)[C:10]([CH3:14])=[CH:1][CH2:2][CH2:3][C@:4]2([CH2:15]O[C:15002]([CH3:15003])=O)O[C@H:5]2[CH2:6]3', 'CC(=O)OC[C@]1(C)O[C@@]13CC(=O)C(C)=CCC[C@]2(COC(C)=O)O[C@H]2C3', '[CH3:21][C:170](=O)O[CH2:65][C@:63]1([CH3:16])O[C@@:61]13[CH2:43][C:204](=O)[C:137]([CH3:13])=[CH:138][CH2:34][CH2:32][C@:62]2([CH2:63]O[C:170]([CH3:21])=O)O[C@H:62]2[CH2:24]3', '26 28 C:12002 19.60 -15.86 C:15003 11.22 -10.71 C:14 18.65 -5.33 C:13 21.09 -11.88 O 17.60 -14.50 O 13.17 -12.12 O 21.01 -6.53 C:1 17.43 -7.32 C:2 16.26 -6.53 C:3 15.18 -7.39 C:12 19.16 -12.18 C:15 14.82 -9.83 C:8 20.22 -8.69 C:6 17.98 -9.83 O 19.78 -13.45 O 13.42 -9.68 O 16.37 -9.91 O 20.73 -9.88 C:12001 18.98 -14.60 C:15002 12.60 -10.85 C:10 18.65 -6.72 C:9 19.96 -7.32 C:5 17.11 -8.69 C:11 19.96 -11.04 C:4 15.62 -8.69 C:7 19.35 -9.83 1 19 1 2 20 1 3 21 1 4 24 1 5 19 2 6 20 2 7 22 2 8 9 1 8 21 2 9 10 1 10 25 1 11 15 1 11 24 1 12 16 1 25 12 -2 13 22 1 13 26 1 14 23 1 14 26 1 15 19 1 16 20 1 23 17 -2 17 25 1 24 18 -1 26 18 -1 21 22 1 23 25 1 26 24 -2', '26 28 C 19.60 -15.86 C 11.22 -10.71 C 18.65 -5.33 C 21.09 -11.88 O 17.60 -14.50 O 13.17 -12.12 O 21.01 -6.53 C 17.43 -7.32 C 16.26 -6.53 C 15.18 -7.39 C 19.16 -12.18 C 14.82 -9.83 C 20.22 -8.69 C 17.98 -9.83 O 19.78 -13.45 O 13.42 -9.68 O 16.37 -9.91 O 20.73 -9.88 C 18.98 -14.60 C 12.60 -10.85 C 18.65 -6.72 C 19.96 -7.32 C 17.11 -8.69 C 19.96 -11.04 C 15.62 -8.69 C 19.35 -9.83 1 19 1 2 20 1 3 21 1 4 24 1 5 19 2 6 20 2 7 22 2 8 9 1 8 21 2 9 10 1 10 25 1 11 15 1 11 24 1 12 16 1 25 12 -2 13 22 1 13 26 1 14 23 1 14 26 1 15 19 1 16 20 1 23 17 -2 17 25 1 24 18 -1 26 18 -1 21 22 1 23 25 1 26 24 -2', '26 28 C:21 19.60 -15.86 C:21 11.22 -10.71 C:13 18.65 -5.33 C:16 21.09 -11.88 O 17.60 -14.50 O 13.17 -12.12 O 21.01 -6.53 C:138 17.43 -7.32 C:34 16.26 -6.53 C:32 15.18 -7.39 C:65 19.16 -12.18 C:63 14.82 -9.83 C:43 20.22 -8.69 C:24 17.98 -9.83 O 19.78 -13.45 O 13.42 -9.68 O 16.37 -9.91 O 20.73 -9.88 C:170 18.98 -14.60 C:170 12.60 -10.85 C:137 18.65 -6.72 C:204 19.96 -7.32 C:62 17.11 -8.69 C:63 19.96 -11.04 C:62 15.62 -8.69 C:61 19.35 -9.83 1 19 1 2 20 1 3 21 1 4 24 1 5 19 2 6 20 2 7 22 2 8 9 1 8 21 2 9 10 1 10 25 1 11 15 1 11 24 1 12 16 1 25 12 -2 13 22 1 13 26 1 14 23 1 14 26 1 15 19 1 16 20 1 23 17 -2 17 25 1 24 18 -1 26 18 -1 21 22 1 23 25 1 26 24 -2', 'C19H26O7', 366.199, 'C', 'ph63_377_1', 1013, '', '', '1', 18, NULL, NULL),
(9389, 'Sipaucin B', '', 'Terpenoids', 'Sesquiterpenoids', 'Elemanes', '[H][C@@:5]1([C:4](=[CH2:3])[CH2:15]O[C:15001]([CH3:15002])=O)[CH2:6][C:7]([C:11]([CH3:13])(O)[CH2:12]O[C:12001]([CH3:12002])=O)=[CH:8][C:9](=O)[C@:10]1([CH3:14])[CH:1]=[CH2:2]', '[H][C@@]1(C(=C)COC(C)=O)CC(C(C)(O)COC(C)=O)=CC(=O)[C@]1(C)C=C', '[H][C@@:47]1([C:143](=[CH2:116])[CH2:67]O[C:171]([CH3:21])=O)[CH2:29][C:163]([C:74]([CH3:24])(O)[CH2:69]O[C:171]([CH3:21])=O)=[CH:124][C:201](=O)[C@:51]1([CH3:18])[CH:141]=[CH2:115]', '26 26 H 14.25 -11.96 C:2 11.78 -9.50 C:3 11.78 -10.94 C:15002 9.39 -13.76 C:12002 22.82 -11.62 C:13 17.96 -13.07 C:14 14.25 -8.07 O 10.61 -11.65 O 21.61 -9.53 O 15.47 -7.38 O 16.75 -12.35 C:1 13.02 -8.78 C:8 16.72 -9.50 C:15 13.02 -13.07 C:12 19.18 -10.94 C:6 15.48 -11.65 O 11.80 -13.74 O 20.40 -11.63 C:15001 10.60 -13.05 C:12001 21.61 -10.93 C:4 13.02 -11.65 C:9 15.48 -8.78 C:7 16.72 -10.94 C:11 17.96 -11.65 C:5 14.25 -10.94 C:10 14.25 -9.50 25 1 -2 2 12 2 3 21 2 4 19 1 5 20 1 6 24 1 26 7 -2 8 19 2 9 20 2 10 22 2 11 24 1 12 26 1 13 22 1 13 23 2 14 17 1 14 21 1 15 18 1 15 24 1 16 23 1 16 25 1 17 19 1 18 20 1 21 25 1 22 26 1 23 24 1 25 26 1', '26 26 H 14.25 -11.96 C 11.78 -9.50 C 11.78 -10.94 C 9.39 -13.76 C 22.82 -11.62 C 17.96 -13.07 C 14.25 -8.07 O 10.61 -11.65 O 21.61 -9.53 O 15.47 -7.38 O 16.75 -12.35 C 13.02 -8.78 C 16.72 -9.50 C 13.02 -13.07 C 19.18 -10.94 C 15.48 -11.65 O 11.80 -13.74 O 20.40 -11.63 C 10.60 -13.05 C 21.61 -10.93 C 13.02 -11.65 C 15.48 -8.78 C 16.72 -10.94 C 17.96 -11.65 C 14.25 -10.94 C 14.25 -9.50 25 1 -2 2 12 2 3 21 2 4 19 1 5 20 1 6 24 1 26 7 -2 8 19 2 9 20 2 10 22 2 11 24 1 12 26 1 13 22 1 13 23 2 14 17 1 14 21 1 15 18 1 15 24 1 16 23 1 16 25 1 17 19 1 18 20 1 21 25 1 22 26 1 23 24 1 25 26 1', '26 26 H 14.25 -11.96 C:115 11.78 -9.50 C:116 11.78 -10.94 C:21 9.39 -13.76 C:21 22.82 -11.62 C:24 17.96 -13.07 C:18 14.25 -8.07 O 10.61 -11.65 O 21.61 -9.53 O 15.47 -7.38 O 16.75 -12.35 C:141 13.02 -8.78 C:124 16.72 -9.50 C:67 13.02 -13.07 C:69 19.18 -10.94 C:29 15.48 -11.65 O 11.80 -13.74 O 20.40 -11.63 C:171 10.60 -13.05 C:171 21.61 -10.93 C:143 13.02 -11.65 C:201 15.48 -8.78 C:163 16.72 -10.94 C:74 17.96 -11.65 C:47 14.25 -10.94 C:51 14.25 -9.50 25 1 -2 2 12 2 3 21 2 4 19 1 5 20 1 6 24 1 26 7 -2 8 19 2 9 20 2 10 22 2 11 24 1 12 26 1 13 22 1 13 23 2 14 17 1 14 21 1 15 18 1 15 24 1 16 23 1 16 25 1 17 19 1 18 20 1 21 25 1 22 26 1 23 24 1 25 26 1', 'C19H26O6', 350.208, 'C', 'ph63_377_2', 1013, '', '', '1', 18, NULL, NULL),
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(9404, 'Eremophilenolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Eremophilanes', '[H][C@:10]13[CH2:1][CH2:2][CH2:3][C@H:4]([CH3:15])[C@@:5]1([CH3:14])[CH2:6][C:7]2=[C:11]([CH3:13])[C:12](=O)O[C@@:8]2([H])[CH2:9]3', '[H][C@]13CCC[C@H](C)[C@@]1(C)CC2=C(C)C(=O)O[C@@]2([H])C3', '[H][C@:40]13[CH2:27][CH2:21][CH2:31][C@H:30]([CH3:16])[C@@:40]1([CH3:22])[CH2:37][C:161]2=[C:121]([CH3:8])[C:175](=O)O[C@@:81]2([H])[CH2:35]3', '19 21 H 14.34 -8.21 H 16.81 -8.29 C:13 18.61 -12.56 C:15 13.07 -12.92 C:14 14.34 -12.20 O 20.39 -10.04 C:2 11.82 -9.32 C:3 11.82 -10.76 C:1 13.07 -8.60 C:6 15.56 -11.48 C:9 15.56 -8.60 O 18.16 -8.87 C:11 18.16 -11.18 C:12 19.01 -10.04 C:7 16.81 -10.76 C:4 13.07 -11.48 C:10 14.34 -9.32 C:8 16.81 -9.32 C:5 14.34 -10.76 17 1 -1 18 2 -1 3 13 1 16 4 -1 19 5 -1 6 14 2 7 8 1 7 9 1 8 16 1 9 17 1 10 15 1 10 19 1 11 17 1 11 18 1 12 14 1 12 18 1 13 14 1 13 15 2 15 18 1 16 19 1 17 19 1', '19 21 H 14.34 -8.21 H 16.81 -8.29 C 18.61 -12.56 C 13.07 -12.92 C 14.34 -12.20 O 20.39 -10.04 C 11.82 -9.32 C 11.82 -10.76 C 13.07 -8.60 C 15.56 -11.48 C 15.56 -8.60 O 18.16 -8.87 C 18.16 -11.18 C 19.01 -10.04 C 16.81 -10.76 C 13.07 -11.48 C 14.34 -9.32 C 16.81 -9.32 C 14.34 -10.76 17 1 -1 18 2 -1 3 13 1 16 4 -1 19 5 -1 6 14 2 7 8 1 7 9 1 8 16 1 9 17 1 10 15 1 10 19 1 11 17 1 11 18 1 12 14 1 12 18 1 13 14 1 13 15 2 15 18 1 16 19 1 17 19 1', '19 21 H 14.34 -8.21 H 16.81 -8.29 C:8 18.61 -12.56 C:16 13.07 -12.92 C:22 14.34 -12.20 O 20.39 -10.04 C:21 11.82 -9.32 C:31 11.82 -10.76 C:27 13.07 -8.60 C:37 15.56 -11.48 C:35 15.56 -8.60 O 18.16 -8.87 C:121 18.16 -11.18 C:175 19.01 -10.04 C:161 16.81 -10.76 C:30 13.07 -11.48 C:40 14.34 -9.32 C:81 16.81 -9.32 C:40 14.34 -10.76 17 1 -1 18 2 -1 3 13 1 16 4 -1 19 5 -1 6 14 2 7 8 1 7 9 1 8 16 1 9 17 1 10 15 1 10 19 1 11 17 1 11 18 1 12 14 1 12 18 1 13 14 1 13 15 2 15 18 1 16 19 1 17 19 1', 'C15H22O2', 234.175, 'C', 'ph57_109_4', 761, '', '', '1', 41, 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
(9427, 'Aristophyllide B', '', 'Terpenoids', 'Sesquiterpenoids', 'Elemanes', '[CH2:2]=[CH:1][C@@:10]5([CH3:14])[CH2:9][CH2:8][CH:7]=[C:6]([CH2:11][C@@H:12]([CH3:13])O[C:111](=O)[c:101]3[cH:102][c:103]1O[CH2:103001]O[c:104]1[c:104001]4[c:104002]2[cH:105][cH:106][cH:107][c:108](O[CH3:108002])[c:108001]2[cH:109][c:110](N(=O)=O)[c:110001]34)[C@H:5]5[C:4](=[CH2:3])[CH:15]=O', 'C=C[C@@]5(C)CCC=C(C[C@@H](C)OC(=O)c3cc1OCOc1c4c2cccc(OC)c2cc(N(=O)=O)c34)[C@H]5C(=C)C=O', '[CH2:112]=[CH:146][C@@:38]5([CH3:25])[CH2:28][CH2:23][CH:126]=[C:134]([CH2:43][C@@H:72]([CH3:20])O[C:166](=O)[c:124]3[cH:113][c:146]1O[CH2:102]O[c:146]1[c:118]4[c:131]2[cH:119][cH:131][cH:108][c:157](O[CH3:56])[c:120]2[cH:121][c:146](N(=O)=O)[c:118]34)[C@H:43]5[C:151](=[CH2:137])[CH:194]=O', '41 45 C:2 8.88 -7.07 C:3 8.88 -8.48 C:108002 23.42 -15.49 C:13 13.73 -12.67 C:14 11.33 -5.67 O 8.90 -11.32 O 16.16 -12.69 O 16.29 -13.48 O 18.11 -15.07 C:1 10.11 -6.37 C:15 10.11 -10.62 C:7 13.73 -8.48 C:106 23.42 -11.29 C:107 23.42 -12.69 C:105 22.21 -10.60 C:102 17.37 -9.19 C:109 19.78 -13.39 C:8 13.73 -7.07 C:103001 20.26 -6.96 C:9 12.55 -6.37 C:11 12.55 -10.59 O 22.21 -14.79 O 18.86 -7.11 O 20.82 -8.24 O 14.94 -10.59 C:4 10.11 -9.19 C:111 16.16 -11.29 C:6 12.55 -9.19 C:103 18.57 -8.48 C:108 22.21 -13.39 C:101 17.37 -10.60 C:104 19.78 -9.19 C:110 18.57 -12.69 C:108001 21.00 -12.69 C:104002 21.00 -11.29 C:110001 18.57 -11.29 C:104001 19.78 -10.60 C:12 13.73 -11.27 C:5 11.33 -8.48 N 17.66 -13.74 C:10 11.33 -7.07 1 10 2 2 26 2 3 22 1 4 38 1 41 5 -2 6 11 2 7 27 2 8 40 2 9 40 2 10 41 1 11 26 1 12 18 1 12 28 2 13 14 1 13 15 2 14 30 2 15 35 1 16 29 1 16 31 2 17 33 2 17 34 1 18 20 1 19 23 1 19 24 1 20 41 1 21 28 1 21 38 1 22 30 1 23 29 1 24 32 1 25 27 1 38 25 -2 39 26 -1 27 31 1 28 39 1 29 32 2 30 34 1 31 36 1 32 37 1 33 36 1 33 40 1 34 35 2 35 37 1 36 37 2 39 41 1', '41 45 C 8.88 -7.07 C 8.88 -8.48 C 23.42 -15.49 C 13.73 -12.67 C 11.33 -5.67 O 8.90 -11.32 O 16.16 -12.69 O 16.29 -13.48 O 18.11 -15.07 C 10.11 -6.37 C 10.11 -10.62 C 13.73 -8.48 C 23.42 -11.29 C 23.42 -12.69 C 22.21 -10.60 C 17.37 -9.19 C 19.78 -13.39 C 13.73 -7.07 C 20.26 -6.96 C 12.55 -6.37 C 12.55 -10.59 O 22.21 -14.79 O 18.86 -7.11 O 20.82 -8.24 O 14.94 -10.59 C 10.11 -9.19 C 16.16 -11.29 C 12.55 -9.19 C 18.57 -8.48 C 22.21 -13.39 C 17.37 -10.60 C 19.78 -9.19 C 18.57 -12.69 C 21.00 -12.69 C 21.00 -11.29 C 18.57 -11.29 C 19.78 -10.60 C 13.73 -11.27 C 11.33 -8.48 N 17.66 -13.74 C 11.33 -7.07 1 10 2 2 26 2 3 22 1 4 38 1 41 5 -2 6 11 2 7 27 2 8 40 2 9 40 2 10 41 1 11 26 1 12 18 1 12 28 2 13 14 1 13 15 2 14 30 2 15 35 1 16 29 1 16 31 2 17 33 2 17 34 1 18 20 1 19 23 1 19 24 1 20 41 1 21 28 1 21 38 1 22 30 1 23 29 1 24 32 1 25 27 1 38 25 -2 39 26 -1 27 31 1 28 39 1 29 32 2 30 34 1 31 36 1 32 37 1 33 36 1 33 40 1 34 35 2 35 37 1 36 37 2 39 41 1', '41 45 C:112 8.88 -7.07 C:137 8.88 -8.48 C:56 23.42 -15.49 C:20 13.73 -12.67 C:25 11.33 -5.67 O 8.90 -11.32 O 16.16 -12.69 O 16.29 -13.48 O 18.11 -15.07 C:146 10.11 -6.37 C:194 10.11 -10.62 C:126 13.73 -8.48 C:131 23.42 -11.29 C:108 23.42 -12.69 C:119 22.21 -10.60 C:113 17.37 -9.19 C:121 19.78 -13.39 C:23 13.73 -7.07 C:102 20.26 -6.96 C:28 12.55 -6.37 C:43 12.55 -10.59 O 22.21 -14.79 O 18.86 -7.11 O 20.82 -8.24 O 14.94 -10.59 C:151 10.11 -9.19 C:166 16.16 -11.29 C:134 12.55 -9.19 C:146 18.57 -8.48 C:157 22.21 -13.39 C:124 17.37 -10.60 C:146 19.78 -9.19 C:146 18.57 -12.69 C:120 21.00 -12.69 C:131 21.00 -11.29 C:118 18.57 -11.29 C:118 19.78 -10.60 C:72 13.73 -11.27 C:43 11.33 -8.48 N 17.66 -13.74 C:38 11.33 -7.07 1 10 2 2 26 2 3 22 1 4 38 1 41 5 -2 6 11 2 7 27 2 8 40 2 9 40 2 10 41 1 11 26 1 12 18 1 12 28 2 13 14 1 13 15 2 14 30 2 15 35 1 16 29 1 16 31 2 17 33 2 17 34 1 18 20 1 19 23 1 19 24 1 20 41 1 21 28 1 21 38 1 22 30 1 23 29 1 24 32 1 25 27 1 38 25 -2 39 26 -1 27 31 1 28 39 1 29 32 2 30 34 1 31 36 1 32 37 1 33 36 1 33 40 1 34 35 2 35 37 1 36 37 2 39 41 1', 'C32H31NO8', 557.344, 'C', 'np99_348_2', 2468, '', '', '1', 21, NULL, NULL),
(9428, 'Ambrox-1-ol', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]1([CH3:13])O[CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:16])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:15])[CH3:14]', '[H][C@@]23CC[C@@]1(C)OCC[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]3(C)C', '[H][C@@:49]23[CH2:20][CH2:40][C@@:80]1([CH3:21])O[CH2:65][CH2:22][C@:53]1([H])[C@@:40]2([CH3:16])[C@@H:72](O)[CH2:26][CH2:35][C@@:33]3([CH3:21])[CH3:33]', '20 22 H 15.02 -13.08 H 16.29 -10.88 C:15 12.88 -13.81 C:14 14.52 -13.95 C:13 17.52 -9.24 C:16 15.02 -9.14 O 13.77 -8.47 C:12 18.04 -8.32 C:2 12.52 -10.62 C:11 16.59 -8.45 C:3 12.52 -12.04 C:7 17.52 -12.04 C:6 16.29 -12.77 O 18.62 -9.67 C:1 13.77 -9.87 C:4 13.77 -12.77 C:8 17.52 -10.62 C:5 15.02 -12.04 C:9 16.29 -9.87 C:10 15.02 -10.62 18 1 -2 19 2 -2 16 3 -1 16 4 -2 17 5 -1 20 6 -1 15 7 -2 8 10 1 8 14 1 9 11 1 9 15 1 10 19 1 11 16 1 12 13 1 12 17 1 13 18 1 14 17 1 15 20 1 16 18 1 17 19 1 18 20 1 19 20 1', '20 22 H 15.02 -13.08 H 16.29 -10.88 C 12.88 -13.81 C 14.52 -13.95 C 17.52 -9.24 C 15.02 -9.14 O 13.77 -8.47 C 18.04 -8.32 C 12.52 -10.62 C 16.59 -8.45 C 12.52 -12.04 C 17.52 -12.04 C 16.29 -12.77 O 18.62 -9.67 C 13.77 -9.87 C 13.77 -12.77 C 17.52 -10.62 C 15.02 -12.04 C 16.29 -9.87 C 15.02 -10.62 18 1 -2 19 2 -2 16 3 -1 16 4 -2 17 5 -1 20 6 -1 15 7 -2 8 10 1 8 14 1 9 11 1 9 15 1 10 19 1 11 16 1 12 13 1 12 17 1 13 18 1 14 17 1 15 20 1 16 18 1 17 19 1 18 20 1 19 20 1', '20 22 H 15.02 -13.08 H 16.29 -10.88 C:21 12.88 -13.81 C:33 14.52 -13.95 C:21 17.52 -9.24 C:16 15.02 -9.14 O 13.77 -8.47 C:65 18.04 -8.32 C:26 12.52 -10.62 C:22 16.59 -8.45 C:35 12.52 -12.04 C:40 17.52 -12.04 C:20 16.29 -12.77 O 18.62 -9.67 C:72 13.77 -9.87 C:33 13.77 -12.77 C:80 17.52 -10.62 C:49 15.02 -12.04 C:53 16.29 -9.87 C:40 15.02 -10.62 18 1 -2 19 2 -2 16 3 -1 16 4 -2 17 5 -1 20 6 -1 15 7 -2 8 10 1 8 14 1 9 11 1 9 15 1 10 19 1 11 16 1 12 13 1 12 17 1 13 18 1 14 17 1 15 20 1 16 18 1 17 19 1 18 20 1 19 20 1', 'C16H28O2', 252.186, 'C', 'hca04_2685_2', 403, '', '', '1', 37, NULL, NULL),
(9429, 'Ambrox-1,11-diol', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]1([CH3:13])O[CH2:12][C@@H:11](O)[C@:9]1([H])[C@@:10]2([CH3:16])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:15])[CH3:14]', '[H][C@@]23CC[C@@]1(C)OC[C@@H](O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]3(C)C', '[H][C@@:49]23[CH2:20][CH2:40][C@@:82]1([CH3:22])O[CH2:73][C@@H:70](O)[C@:59]1([H])[C@@:40]2([CH3:17])[C@@H:72](O)[CH2:25][CH2:36][C@@:33]3([CH3:21])[CH3:33]', '21 23 H 15.59 -12.96 H 16.84 -10.76 C:15 13.43 -13.69 C:14 15.09 -13.84 C:13 18.07 -9.12 C:16 15.59 -9.02 O 14.32 -8.35 O 16.20 -7.30 C:2 13.07 -10.50 C:3 13.07 -11.92 C:7 18.07 -11.92 C:6 16.84 -12.65 C:12 18.59 -8.20 O 19.17 -9.55 C:1 14.32 -9.75 C:11 17.14 -8.33 C:4 14.32 -12.65 C:8 18.07 -10.50 C:5 15.59 -11.92 C:9 16.84 -9.75 C:10 15.59 -10.50 19 1 -2 20 2 -2 17 3 -1 17 4 -2 18 5 -1 21 6 -1 15 7 -2 16 8 -2 9 10 1 9 15 1 10 17 1 11 12 1 11 18 1 12 19 1 13 14 1 13 16 1 14 18 1 15 21 1 16 20 1 17 19 1 18 20 1 19 21 1 20 21 1', '21 23 H 15.59 -12.96 H 16.84 -10.76 C 13.43 -13.69 C 15.09 -13.84 C 18.07 -9.12 C 15.59 -9.02 O 14.32 -8.35 O 16.20 -7.30 C 13.07 -10.50 C 13.07 -11.92 C 18.07 -11.92 C 16.84 -12.65 C 18.59 -8.20 O 19.17 -9.55 C 14.32 -9.75 C 17.14 -8.33 C 14.32 -12.65 C 18.07 -10.50 C 15.59 -11.92 C 16.84 -9.75 C 15.59 -10.50 19 1 -2 20 2 -2 17 3 -1 17 4 -2 18 5 -1 21 6 -1 15 7 -2 16 8 -2 9 10 1 9 15 1 10 17 1 11 12 1 11 18 1 12 19 1 13 14 1 13 16 1 14 18 1 15 21 1 16 20 1 17 19 1 18 20 1 19 21 1 20 21 1', '21 23 H 15.59 -12.96 H 16.84 -10.76 C:21 13.43 -13.69 C:33 15.09 -13.84 C:22 18.07 -9.12 C:17 15.59 -9.02 O 14.32 -8.35 O 16.20 -7.30 C:25 13.07 -10.50 C:36 13.07 -11.92 C:40 18.07 -11.92 C:20 16.84 -12.65 C:73 18.59 -8.20 O 19.17 -9.55 C:72 14.32 -9.75 C:70 17.14 -8.33 C:33 14.32 -12.65 C:82 18.07 -10.50 C:49 15.59 -11.92 C:59 16.84 -9.75 C:40 15.59 -10.50 19 1 -2 20 2 -2 17 3 -1 17 4 -2 18 5 -1 21 6 -1 15 7 -2 16 8 -2 9 10 1 9 15 1 10 17 1 11 12 1 11 18 1 12 19 1 13 14 1 13 16 1 14 18 1 15 21 1 16 20 1 17 19 1 18 20 1 19 21 1 20 21 1', 'C16H28O3', 268.185, 'C', 'hca04_2685_3', 403, '', '', '1', 37, NULL, NULL),
(9430, 'Ambrox-1,6-diol', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@:9]12[CH2:11][CH2:12]O[C@:8]1([CH3:13])[CH2:7][C@H:6](O)[C@@:5]3([H])[C@@:4]([CH3:14])([CH3:15])[CH2:3][CH2:2][C@H:1](O)[C@:10]23[CH3:16]', '[H][C@]12CCO[C@]1(C)C[C@H](O)[C@@]3([H])[C@@](C)(C)CC[C@H](O)[C@]23C', '[H][C@:54]12[CH2:27][CH2:66]O[C@:81]1([CH3:24])[CH2:49][C@H:71](O)[C@@:52]3([H])[C@@:35]([CH3:25])([CH3:24])[CH2:39][CH2:25][C@H:75](O)[C@:42]23[CH3:18]', '21 23 H 16.87 -10.65 H 15.59 -12.85 C:14 15.09 -13.73 C:15 13.43 -13.58 C:13 18.07 -9.01 C:16 15.59 -8.91 O 14.32 -8.24 O 16.87 -13.95 C:12 18.59 -8.09 C:2 13.07 -10.39 C:11 17.14 -8.22 C:3 13.07 -11.81 C:7 18.07 -11.81 O 19.17 -9.44 C:1 14.32 -9.64 C:6 16.84 -12.54 C:4 14.32 -12.54 C:8 18.07 -10.39 C:9 16.87 -9.64 C:5 15.59 -11.81 C:10 15.59 -10.39 19 1 -2 20 2 -2 17 3 -2 17 4 -1 18 5 -1 21 6 -1 15 7 -2 16 8 -2 9 11 1 9 14 1 10 12 1 10 15 1 11 19 1 12 17 1 13 16 1 13 18 1 14 18 1 15 21 1 16 20 1 17 20 1 18 19 1 19 21 1 20 21 1', '21 23 H 16.87 -10.65 H 15.59 -12.85 C 15.09 -13.73 C 13.43 -13.58 C 18.07 -9.01 C 15.59 -8.91 O 14.32 -8.24 O 16.87 -13.95 C 18.59 -8.09 C 13.07 -10.39 C 17.14 -8.22 C 13.07 -11.81 C 18.07 -11.81 O 19.17 -9.44 C 14.32 -9.64 C 16.84 -12.54 C 14.32 -12.54 C 18.07 -10.39 C 16.87 -9.64 C 15.59 -11.81 C 15.59 -10.39 19 1 -2 20 2 -2 17 3 -2 17 4 -1 18 5 -1 21 6 -1 15 7 -2 16 8 -2 9 11 1 9 14 1 10 12 1 10 15 1 11 19 1 12 17 1 13 16 1 13 18 1 14 18 1 15 21 1 16 20 1 17 20 1 18 19 1 19 21 1 20 21 1', '21 23 H 16.87 -10.65 H 15.59 -12.85 C:25 15.09 -13.73 C:24 13.43 -13.58 C:24 18.07 -9.01 C:18 15.59 -8.91 O 14.32 -8.24 O 16.87 -13.95 C:66 18.59 -8.09 C:25 13.07 -10.39 C:27 17.14 -8.22 C:39 13.07 -11.81 C:49 18.07 -11.81 O 19.17 -9.44 C:75 14.32 -9.64 C:71 16.84 -12.54 C:35 14.32 -12.54 C:81 18.07 -10.39 C:54 16.87 -9.64 C:52 15.59 -11.81 C:42 15.59 -10.39 19 1 -2 20 2 -2 17 3 -2 17 4 -1 18 5 -1 21 6 -1 15 7 -2 16 8 -2 9 11 1 9 14 1 10 12 1 10 15 1 11 19 1 12 17 1 13 16 1 13 18 1 14 18 1 15 21 1 16 20 1 17 20 1 18 19 1 19 21 1 20 21 1', 'C16H28O3', 268.185, 'C', 'hca04_2685_4', 403, '', '', '1', 37, 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
(9450, 'Mukaadial', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]12[C@@H:6](O)[CH:7]=[C:8]([CH:12]=O)[C@:9](O)([CH:11]=O)[C@@:10]1([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:14])[CH3:13]', '[H][C@@]12[C@@H](O)C=C(C=O)[C@](O)(C=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:48]12[C@@H:68](O)[CH:160]=[C:139]([CH:194]=O)[C@:78](O)([CH:204]=O)[C@@:44]1([CH3:37])[CH2:43][CH2:33][CH2:18][C@@:33]2([CH3:18])[CH3:23]', '20 21 H 14.33 -13.25 C:14 12.21 -13.97 C:13 13.83 -14.11 C:15 14.33 -9.38 O 19.26 -10.78 O 16.82 -7.97 O 15.57 -14.33 O 16.82 -9.38 C:12 18.06 -10.09 C:11 15.57 -8.68 C:7 16.82 -12.23 C:2 11.87 -10.83 C:3 11.87 -12.23 C:1 13.12 -10.09 C:8 16.82 -10.83 C:6 15.57 -12.93 C:4 13.12 -12.93 C:5 14.33 -12.23 C:10 14.33 -10.83 C:9 15.57 -10.09 18 1 -2 17 2 -1 17 3 -2 19 4 -1 5 9 2 6 10 2 16 7 -2 20 8 -2 9 15 1 20 10 -1 11 15 2 11 16 1 12 13 1 12 14 1 13 17 1 14 19 1 15 20 1 16 18 1 17 18 1 18 19 1 19 20 1', '20 21 H 14.33 -13.25 C 12.21 -13.97 C 13.83 -14.11 C 14.33 -9.38 O 19.26 -10.78 O 16.82 -7.97 O 15.57 -14.33 O 16.82 -9.38 C 18.06 -10.09 C 15.57 -8.68 C 16.82 -12.23 C 11.87 -10.83 C 11.87 -12.23 C 13.12 -10.09 C 16.82 -10.83 C 15.57 -12.93 C 13.12 -12.93 C 14.33 -12.23 C 14.33 -10.83 C 15.57 -10.09 18 1 -2 17 2 -1 17 3 -2 19 4 -1 5 9 2 6 10 2 16 7 -2 20 8 -2 9 15 1 20 10 -1 11 15 2 11 16 1 12 13 1 12 14 1 13 17 1 14 19 1 15 20 1 16 18 1 17 18 1 18 19 1 19 20 1', '20 21 H 14.33 -13.25 C:18 12.21 -13.97 C:23 13.83 -14.11 C:37 14.33 -9.38 O 19.26 -10.78 O 16.82 -7.97 O 15.57 -14.33 O 16.82 -9.38 C:194 18.06 -10.09 C:204 15.57 -8.68 C:160 16.82 -12.23 C:33 11.87 -10.83 C:18 11.87 -12.23 C:43 13.12 -10.09 C:139 16.82 -10.83 C:68 15.57 -12.93 C:33 13.12 -12.93 C:48 14.33 -12.23 C:44 14.33 -10.83 C:78 15.57 -10.09 18 1 -2 17 2 -1 17 3 -2 19 4 -1 5 9 2 6 10 2 16 7 -2 20 8 -2 9 15 1 20 10 -1 11 15 2 11 16 1 12 13 1 12 14 1 13 17 1 14 19 1 15 20 1 16 18 1 17 18 1 18 19 1 19 20 1', 'C15H22O4', 266.166, 'D', 'ph51_435_4', 1472, '', '', '1', 37, NULL, NULL),
(9451, 'Isopolygodial', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH:12]=O)[C@@H:9]([CH:11]=O)[C@@:10]1([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:14])[CH3:13]', '[H][C@@]12CC=C(C=O)[C@@H](C=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:44]12[CH2:25][CH:154]=[C:138]([CH:193]=O)[C@@H:58]([CH:202]=O)[C@@:38]1([CH3:15])[CH2:37][CH2:18][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '18 19 H 14.31 -13.35 C:14 12.18 -14.07 C:13 13.81 -14.21 C:15 14.31 -9.46 O 19.24 -10.91 O 16.78 -8.08 C:12 18.02 -10.17 C:11 15.55 -8.77 C:7 16.78 -12.32 C:2 11.84 -10.91 C:6 15.55 -13.03 C:3 11.84 -12.32 C:1 13.08 -10.17 C:8 16.78 -10.91 C:9 15.55 -10.17 C:4 13.08 -13.03 C:5 14.31 -12.32 C:10 14.31 -10.91 17 1 -2 16 2 -1 16 3 -2 18 4 -1 5 7 2 6 8 2 7 14 1 15 8 -2 9 11 1 9 14 2 10 12 1 10 13 1 11 17 1 12 16 1 13 18 1 14 15 1 15 18 1 16 17 1 17 18 1', '18 19 H 14.31 -13.35 C 12.18 -14.07 C 13.81 -14.21 C 14.31 -9.46 O 19.24 -10.91 O 16.78 -8.08 C 18.02 -10.17 C 15.55 -8.77 C 16.78 -12.32 C 11.84 -10.91 C 15.55 -13.03 C 11.84 -12.32 C 13.08 -10.17 C 16.78 -10.91 C 15.55 -10.17 C 13.08 -13.03 C 14.31 -12.32 C 14.31 -10.91 17 1 -2 16 2 -1 16 3 -2 18 4 -1 5 7 2 6 8 2 7 14 1 15 8 -2 9 11 1 9 14 2 10 12 1 10 13 1 11 17 1 12 16 1 13 18 1 14 15 1 15 18 1 16 17 1 17 18 1', '18 19 H 14.31 -13.35 C:22 12.18 -14.07 C:33 13.81 -14.21 C:15 14.31 -9.46 O 19.24 -10.91 O 16.78 -8.08 C:193 18.02 -10.17 C:202 15.55 -8.77 C:154 16.78 -12.32 C:18 11.84 -10.91 C:25 15.55 -13.03 C:42 11.84 -12.32 C:37 13.08 -10.17 C:138 16.78 -10.91 C:58 15.55 -10.17 C:33 13.08 -13.03 C:44 14.31 -12.32 C:38 14.31 -10.91 17 1 -2 16 2 -1 16 3 -2 18 4 -1 5 7 2 6 8 2 7 14 1 15 8 -2 9 11 1 9 14 2 10 12 1 10 13 1 11 17 1 12 16 1 13 18 1 14 15 1 15 18 1 16 17 1 17 18 1', 'C15H22O2', 234.167, 'C', 'ph51_435_5', 1472, '', '', '1', 37, NULL, NULL),
(9452, 'Drimanial', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[CH3:107001]O[c:107]3[cH:108][cH:109][c:104]([CH:103]=[CH:102][C:101](=O)O[C@@H:1]1[CH2:2][CH2:3][C@:4]([CH3:13])([CH3:14])[C@:5]2(O)[CH2:6][CH:7]=[C:8]([CH:12]=O)[C@H:9]([CH:11]=O)[C@@:10]12[CH3:15])[cH:105][cH:106]3', 'COc3ccc(C=CC(=O)O[C@@H]1CC[C@](C)(C)[C@]2(O)CC=C(C=O)[C@H](C=O)[C@@]12C)cc3', '[CH3:56]O[c:163]3[cH:115][cH:131][c:128]([CH:145]=[CH:117][C:166](=O)O[C@@H:78]1[CH2:25][CH2:35][C@:39]([CH3:28])([CH3:26])[C@:78]2(O)[CH2:33][CH:151]=[C:141]([CH:193]=O)[C@H:56]([CH:201]=O)[C@@:47]12[CH3:14])[cH:131][cH:115]3', '31 33 C:107001 13.13 -3.97 C:13 15.04 -18.36 C:14 13.44 -18.22 C:15 15.54 -13.63 O 20.44 -15.07 O 17.99 -12.25 O 11.91 -12.93 O 15.54 -17.87 C:12 19.23 -14.33 C:11 16.77 -12.93 C:102 13.13 -10.87 C:103 11.91 -10.20 C:7 17.99 -16.48 C:109 13.13 -8.11 C:105 10.72 -8.11 C:108 13.13 -6.73 C:106 10.72 -6.73 C:6 16.77 -17.19 C:2 13.13 -15.07 C:3 13.13 -16.48 O 11.91 -4.66 O 14.33 -12.93 C:101 13.13 -12.25 C:8 17.99 -15.07 C:104 11.91 -8.81 C:107 11.91 -6.05 C:9 16.77 -14.33 C:1 14.33 -14.33 C:4 14.33 -17.19 C:10 15.54 -15.07 C:5 15.54 -16.48 1 21 1 29 2 -2 29 3 -1 30 4 -1 5 9 2 6 10 2 7 23 2 31 8 -2 9 24 1 27 10 -1 11 12 2 11 23 1 12 25 1 13 18 1 13 24 2 14 16 1 14 25 2 15 17 2 15 25 1 16 26 2 17 26 1 18 31 1 19 20 1 19 28 1 20 29 1 21 26 1 22 23 1 28 22 -1 24 27 1 27 30 1 28 30 1 29 31 1 30 31 1', '31 33 C 13.13 -3.97 C 15.04 -18.36 C 13.44 -18.22 C 15.54 -13.63 O 20.44 -15.07 O 17.99 -12.25 O 11.91 -12.93 O 15.54 -17.87 C 19.23 -14.33 C 16.77 -12.93 C 13.13 -10.87 C 11.91 -10.20 C 17.99 -16.48 C 13.13 -8.11 C 10.72 -8.11 C 13.13 -6.73 C 10.72 -6.73 C 16.77 -17.19 C 13.13 -15.07 C 13.13 -16.48 O 11.91 -4.66 O 14.33 -12.93 C 13.13 -12.25 C 17.99 -15.07 C 11.91 -8.81 C 11.91 -6.05 C 16.77 -14.33 C 14.33 -14.33 C 14.33 -17.19 C 15.54 -15.07 C 15.54 -16.48 1 21 1 29 2 -2 29 3 -1 30 4 -1 5 9 2 6 10 2 7 23 2 31 8 -2 9 24 1 27 10 -1 11 12 2 11 23 1 12 25 1 13 18 1 13 24 2 14 16 1 14 25 2 15 17 2 15 25 1 16 26 2 17 26 1 18 31 1 19 20 1 19 28 1 20 29 1 21 26 1 22 23 1 28 22 -1 24 27 1 27 30 1 28 30 1 29 31 1 30 31 1', '31 33 C:56 13.13 -3.97 C:28 15.04 -18.36 C:26 13.44 -18.22 C:14 15.54 -13.63 O 20.44 -15.07 O 17.99 -12.25 O 11.91 -12.93 O 15.54 -17.87 C:193 19.23 -14.33 C:201 16.77 -12.93 C:117 13.13 -10.87 C:145 11.91 -10.20 C:151 17.99 -16.48 C:131 13.13 -8.11 C:131 10.72 -8.11 C:115 13.13 -6.73 C:115 10.72 -6.73 C:33 16.77 -17.19 C:25 13.13 -15.07 C:35 13.13 -16.48 O 11.91 -4.66 O 14.33 -12.93 C:166 13.13 -12.25 C:141 17.99 -15.07 C:128 11.91 -8.81 C:163 11.91 -6.05 C:56 16.77 -14.33 C:78 14.33 -14.33 C:39 14.33 -17.19 C:47 15.54 -15.07 C:78 15.54 -16.48 1 21 1 29 2 -2 29 3 -1 30 4 -1 5 9 2 6 10 2 7 23 2 31 8 -2 9 24 1 27 10 -1 11 12 2 11 23 1 12 25 1 13 18 1 13 24 2 14 16 1 14 25 2 15 17 2 15 25 1 16 26 2 17 26 1 18 31 1 19 20 1 19 28 1 20 29 1 21 26 1 22 23 1 28 22 -1 24 27 1 27 30 1 28 30 1 29 31 1 30 31 1', 'C25H30O6', 426.264, 'A', 'ph57_103_2', 1437, '', '', '1', 37, NULL, NULL),
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(9468, 'Rudbeckin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Ambrosanes', '[H][C@@:7]23[CH2:8][CH2:9][C@@:10]([CH3:14])(O)[C@:1]1([H])[CH2:2][CH2:3][C@H:4](O)[C@@:5]1([CH2:15]O)[C@:6]2([H])O[C:12](=O)[C@H:11]3[CH3:13]', '[H][C@@]23CC[C@@](C)(O)[C@]1([H])CC[C@H](O)[C@@]1(CO)[C@]2([H])OC(=O)[C@H]3C', '[H][C@@:44]23[CH2:32][CH2:42][C@@:85]([CH3:24])(O)[C@:47]1([H])[CH2:23][CH2:27][C@H:83](O)[C@@:60]1([CH2:69]O)[C@:86]2([H])O[C:179](=O)[C@H:53]3[CH3:17]', '23 25 H 17.04 -10.66 H 14.97 -8.04 H 15.69 -10.66 C:13 18.88 -13.50 C:14 17.02 -7.21 O 16.31 -15.35 O 12.65 -12.20 O 12.29 -11.53 O 15.62 -7.19 C:15 13.93 -11.84 C:3 12.60 -9.15 C:2 13.79 -8.24 C:9 17.63 -9.07 C:8 17.95 -10.50 O 15.10 -13.04 C:12 16.31 -13.90 C:11 17.51 -13.04 C:4 13.10 -10.52 C:10 16.31 -8.42 C:7 17.04 -11.63 C:1 14.97 -9.07 C:6 15.55 -11.63 C:5 14.65 -10.52 20 1 -2 21 2 -2 22 3 -2 17 4 -2 19 5 -1 6 16 2 7 10 1 18 8 -1 19 9 -2 23 10 -1 11 12 1 11 18 1 12 21 1 13 14 1 13 19 1 14 20 1 15 16 1 15 22 1 16 17 1 17 20 1 18 23 1 19 21 1 20 22 1 21 23 1 22 23 1', '23 25 H 17.04 -10.66 H 14.97 -8.04 H 15.69 -10.66 C 18.88 -13.50 C 17.02 -7.21 O 16.31 -15.35 O 12.65 -12.20 O 12.29 -11.53 O 15.62 -7.19 C 13.93 -11.84 C 12.60 -9.15 C 13.79 -8.24 C 17.63 -9.07 C 17.95 -10.50 O 15.10 -13.04 C 16.31 -13.90 C 17.51 -13.04 C 13.10 -10.52 C 16.31 -8.42 C 17.04 -11.63 C 14.97 -9.07 C 15.55 -11.63 C 14.65 -10.52 20 1 -2 21 2 -2 22 3 -2 17 4 -2 19 5 -1 6 16 2 7 10 1 18 8 -1 19 9 -2 23 10 -1 11 12 1 11 18 1 12 21 1 13 14 1 13 19 1 14 20 1 15 16 1 15 22 1 16 17 1 17 20 1 18 23 1 19 21 1 20 22 1 21 23 1 22 23 1', '23 25 H 17.04 -10.66 H 14.97 -8.04 H 15.69 -10.66 C:17 18.88 -13.50 C:24 17.02 -7.21 O 16.31 -15.35 O 12.65 -12.20 O 12.29 -11.53 O 15.62 -7.19 C:69 13.93 -11.84 C:27 12.60 -9.15 C:23 13.79 -8.24 C:42 17.63 -9.07 C:32 17.95 -10.50 O 15.10 -13.04 C:179 16.31 -13.90 C:53 17.51 -13.04 C:83 13.10 -10.52 C:85 16.31 -8.42 C:44 17.04 -11.63 C:47 14.97 -9.07 C:86 15.55 -11.63 C:60 14.65 -10.52 20 1 -2 21 2 -2 22 3 -2 17 4 -2 19 5 -1 6 16 2 7 10 1 18 8 -1 19 9 -2 23 10 -1 11 12 1 11 18 1 12 21 1 13 14 1 13 19 1 14 20 1 15 16 1 15 22 1 16 17 1 17 20 1 18 23 1 19 21 1 20 22 1 21 23 1 22 23 1', 'C15H24O5', 284.181, 'C', 'AT-444_b', 2359, '', '', '2', 25, 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
(9469, '11b-Hydroxy-13-cloro-11,13-dihydroaromatin', '', 'Terpenoids', 'Sesquiterpenoids', 'Ambrosanes', '[H][C@@:8]23[CH2:9][C@@H:10]([CH3:14])[CH:1]1[CH:2]=[CH:3][C:4](=O)[C@@:5]1([CH3:15])[CH2:6][C@:7]2([H])[C@@:11](O)([CH2:13]Cl)[C:12](=O)O3', '[H][C@@]23C[C@@H](C)C1C=CC(=O)[C@@]1(C)C[C@]2([H])[C@@](O)(CCl)C(=O)O3', '[H][C@@:79]23[CH2:35][C@@H:27]([CH3:25])[CH:45]1[CH:159]=[CH:130][C:212](=O)[C@@:51]1([CH3:19])[CH2:27][C@:55]2([H])[C@@:77](O)([CH2:48]Cl)[C:176](=O)O3', '22 24 H 17.93 -9.81 H 15.91 -12.53 C:14 15.56 -7.06 C:15 13.13 -11.70 O 11.49 -11.68 O 19.61 -13.36 O 16.04 -13.79 Cl 16.28 -15.17 C:3 11.90 -9.23 C:2 13.04 -8.33 C:13 17.35 -14.27 C:9 16.89 -9.16 C:6 14.84 -11.70 O 18.48 -11.09 C:4 12.37 -10.59 C:12 18.48 -12.53 C:10 15.56 -8.52 C:1 14.25 -9.16 C:8 17.22 -10.59 C:7 16.28 -11.70 C:5 13.94 -10.59 C:11 17.11 -12.89 19 1 -2 20 2 -2 17 3 -2 21 4 -1 5 15 2 6 16 2 22 7 -1 8 11 1 9 10 2 9 15 1 10 18 1 22 11 -2 12 17 1 12 19 1 13 20 1 13 21 1 14 16 1 14 19 1 15 21 1 16 22 1 17 18 1 18 21 1 19 20 1 20 22 1', '22 24 H 17.93 -9.81 H 15.91 -12.53 C 15.56 -7.06 C 13.13 -11.70 O 11.49 -11.68 O 19.61 -13.36 O 16.04 -13.79 Cl 16.28 -15.17 C 11.90 -9.23 C 13.04 -8.33 C 17.35 -14.27 C 16.89 -9.16 C 14.84 -11.70 O 18.48 -11.09 C 12.37 -10.59 C 18.48 -12.53 C 15.56 -8.52 C 14.25 -9.16 C 17.22 -10.59 C 16.28 -11.70 C 13.94 -10.59 C 17.11 -12.89 19 1 -2 20 2 -2 17 3 -2 21 4 -1 5 15 2 6 16 2 22 7 -1 8 11 1 9 10 2 9 15 1 10 18 1 22 11 -2 12 17 1 12 19 1 13 20 1 13 21 1 14 16 1 14 19 1 15 21 1 16 22 1 17 18 1 18 21 1 19 20 1 20 22 1', '22 24 H 17.93 -9.81 H 15.91 -12.53 C:25 15.56 -7.06 C:19 13.13 -11.70 O 11.49 -11.68 O 19.61 -13.36 O 16.04 -13.79 Cl 16.28 -15.17 C:130 11.90 -9.23 C:159 13.04 -8.33 C:48 17.35 -14.27 C:35 16.89 -9.16 C:27 14.84 -11.70 O 18.48 -11.09 C:212 12.37 -10.59 C:176 18.48 -12.53 C:27 15.56 -8.52 C:45 14.25 -9.16 C:79 17.22 -10.59 C:55 16.28 -11.70 C:51 13.94 -10.59 C:77 17.11 -12.89 19 1 -2 20 2 -2 17 3 -2 21 4 -1 5 15 2 6 16 2 22 7 -1 8 11 1 9 10 2 9 15 1 10 18 1 22 11 -2 12 17 1 12 19 1 13 20 1 13 21 1 14 16 1 14 19 1 15 21 1 16 22 1 17 18 1 18 21 1 19 20 1 20 22 1', 'C15H19ClO4', 298.627, 'C', 'AT-445_a', 1003, '', '', '2', 25, NULL, NULL),
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(9488, 'Pimaric acid', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([C:18](=O)O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CC[C@@](C)(C=C)C=C1CC[C@@]3([H])[C@](C)(C(=O)O)CCC[C@]23C', '[H][C@:52]12[CH2:20][CH2:36][C@@:39]([CH3:23])([CH:148]=[CH2:113])[CH:128]=[C:139]1[CH2:36][CH2:26][C@@:49]3([H])[C@:48]([CH3:18])([C:186](=O)O)[CH2:38][CH2:19][CH2:39][C@:38]23[CH3:15]', '24 26 H 15.56 -10.27 H 14.31 -12.41 C:16 20.46 -7.19 C:17 18.89 -6.67 C:19 12.01 -13.14 C:20 14.31 -8.56 O 13.62 -14.55 O 15.39 -12.96 C:15 19.45 -8.20 C:14 18.05 -9.29 C:2 11.81 -10.03 C:7 16.82 -11.46 C:3 11.81 -11.46 C:6 15.56 -12.18 C:1 13.05 -9.29 C:12 16.82 -7.13 C:11 15.56 -7.84 C:18 14.02 -13.23 C:8 16.82 -10.03 C:13 18.05 -7.84 C:9 15.56 -9.29 C:5 14.31 -11.46 C:4 13.05 -12.18 C:10 14.31 -10.03 21 1 -2 22 2 -2 3 9 2 20 4 -2 23 5 -1 24 6 -1 7 18 2 8 18 1 20 9 -1 10 19 2 10 20 1 11 13 1 11 15 1 12 14 1 12 19 1 13 23 1 14 22 1 15 24 1 16 17 1 16 20 1 17 21 1 23 18 -2 19 21 1 21 24 1 22 23 1 22 24 1', '24 26 H 15.56 -10.27 H 14.31 -12.41 C 20.46 -7.19 C 18.89 -6.67 C 12.01 -13.14 C 14.31 -8.56 O 13.62 -14.55 O 15.39 -12.96 C 19.45 -8.20 C 18.05 -9.29 C 11.81 -10.03 C 16.82 -11.46 C 11.81 -11.46 C 15.56 -12.18 C 13.05 -9.29 C 16.82 -7.13 C 15.56 -7.84 C 14.02 -13.23 C 16.82 -10.03 C 18.05 -7.84 C 15.56 -9.29 C 14.31 -11.46 C 13.05 -12.18 C 14.31 -10.03 21 1 -2 22 2 -2 3 9 2 20 4 -2 23 5 -1 24 6 -1 7 18 2 8 18 1 20 9 -1 10 19 2 10 20 1 11 13 1 11 15 1 12 14 1 12 19 1 13 23 1 14 22 1 15 24 1 16 17 1 16 20 1 17 21 1 23 18 -2 19 21 1 21 24 1 22 23 1 22 24 1', '24 26 H 15.56 -10.27 H 14.31 -12.41 C:113 20.46 -7.19 C:23 18.89 -6.67 C:18 12.01 -13.14 C:15 14.31 -8.56 O 13.62 -14.55 O 15.39 -12.96 C:148 19.45 -8.20 C:128 18.05 -9.29 C:19 11.81 -10.03 C:36 16.82 -11.46 C:38 11.81 -11.46 C:26 15.56 -12.18 C:39 13.05 -9.29 C:36 16.82 -7.13 C:20 15.56 -7.84 C:186 14.02 -13.23 C:139 16.82 -10.03 C:39 18.05 -7.84 C:52 15.56 -9.29 C:49 14.31 -11.46 C:48 13.05 -12.18 C:38 14.31 -10.03 21 1 -2 22 2 -2 3 9 2 20 4 -2 23 5 -1 24 6 -1 7 18 2 8 18 1 20 9 -1 10 19 2 10 20 1 11 13 1 11 15 1 12 14 1 12 19 1 13 23 1 14 22 1 15 24 1 16 17 1 16 20 1 17 21 1 23 18 -2 19 21 1 21 24 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', '258_a', 2436, '', '', '2', 4, NULL, NULL),
(9489, 'Compactone', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[CH2:6][C:7](=O)[C@@:8]1(O)[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@:9]1([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CC(=O)[C@@]1(O)C[C@@](C)(C=C)CC[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:56]23[CH2:38][C:191](=O)[C@@:76]1(O)[CH2:43][C@@:37]([CH3:25])([CH:152]=[CH2:109])[CH2:35][CH2:17][C@:59]1([H])[C@@:38]2([CH3:16])[CH2:40][CH2:19][CH2:42][C@@:34]3([CH3:24])[CH3:33]', '24 26 H 13.76 -13.58 H 15.02 -11.44 C:16 19.92 -8.36 C:19 11.46 -14.31 C:18 13.47 -14.40 C:17 18.34 -7.84 C:20 13.76 -9.74 O 17.48 -13.31 O 16.27 -9.81 C:15 18.90 -9.37 C:2 11.26 -11.20 C:3 11.26 -12.63 C:11 15.02 -9.01 C:1 12.50 -10.47 C:12 16.27 -8.30 C:6 15.02 -13.35 C:14 17.48 -10.47 C:7 16.27 -12.63 C:4 12.50 -13.35 C:5 13.76 -12.63 C:9 15.02 -10.47 C:13 17.48 -9.01 C:10 13.76 -11.20 C:8 16.27 -11.20 20 1 -2 21 2 -2 3 10 2 19 4 -1 19 5 -2 22 6 -1 23 7 -1 8 18 2 24 9 -1 22 10 -2 11 12 1 11 14 1 12 19 1 13 15 1 13 21 1 14 23 1 15 22 1 16 18 1 16 20 1 17 22 1 17 24 1 18 24 1 19 20 1 20 23 1 21 23 1 21 24 1', '24 26 H 13.76 -13.58 H 15.02 -11.44 C 19.92 -8.36 C 11.46 -14.31 C 13.47 -14.40 C 18.34 -7.84 C 13.76 -9.74 O 17.48 -13.31 O 16.27 -9.81 C 18.90 -9.37 C 11.26 -11.20 C 11.26 -12.63 C 15.02 -9.01 C 12.50 -10.47 C 16.27 -8.30 C 15.02 -13.35 C 17.48 -10.47 C 16.27 -12.63 C 12.50 -13.35 C 13.76 -12.63 C 15.02 -10.47 C 17.48 -9.01 C 13.76 -11.20 C 16.27 -11.20 20 1 -2 21 2 -2 3 10 2 19 4 -1 19 5 -2 22 6 -1 23 7 -1 8 18 2 24 9 -1 22 10 -2 11 12 1 11 14 1 12 19 1 13 15 1 13 21 1 14 23 1 15 22 1 16 18 1 16 20 1 17 22 1 17 24 1 18 24 1 19 20 1 20 23 1 21 23 1 21 24 1', '24 26 H 13.76 -13.58 H 15.02 -11.44 C:109 19.92 -8.36 C:24 11.46 -14.31 C:33 13.47 -14.40 C:25 18.34 -7.84 C:16 13.76 -9.74 O 17.48 -13.31 O 16.27 -9.81 C:152 18.90 -9.37 C:19 11.26 -11.20 C:42 11.26 -12.63 C:17 15.02 -9.01 C:40 12.50 -10.47 C:35 16.27 -8.30 C:38 15.02 -13.35 C:43 17.48 -10.47 C:191 16.27 -12.63 C:34 12.50 -13.35 C:56 13.76 -12.63 C:59 15.02 -10.47 C:37 17.48 -9.01 C:38 13.76 -11.20 C:76 16.27 -11.20 20 1 -2 21 2 -2 3 10 2 19 4 -1 19 5 -2 22 6 -1 23 7 -1 8 18 2 24 9 -1 22 10 -2 11 12 1 11 14 1 12 19 1 13 15 1 13 21 1 14 23 1 15 22 1 16 18 1 16 20 1 17 22 1 17 24 1 18 24 1 19 20 1 20 23 1 21 23 1 21 24 1', 'C20H32O2', 304.229, 'C', '258_b', 1799, '', '', '2', 4, 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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(9510, 'Arbusculin E', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[C@@H:6](O)[CH:7]([C:11](=[CH2:12])[C:13](=O)O[CH3:13001])[CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:15])O', '[H][C@@]12[C@@H](O)C(C(=C)C(=O)OC)CC[C@@]1(C)CCC[C@@]2(C)O', '[H][C@@:58]12[C@@H:73](O)[CH:50]([C:142](=[CH2:126])[C:168](=O)O[CH3:52])[CH2:27][CH2:43][C@@:36]1([CH3:20])[CH2:43][CH2:20][CH2:44][C@@:74]2([CH3:24])O', '21 22 H 13.12 -12.53 C:12 16.83 -13.63 C:13001 20.46 -11.52 C:15 12.60 -13.44 C:14 13.12 -8.66 O 18.04 -10.13 O 14.33 -13.63 O 11.20 -13.44 C:2 10.65 -10.08 C:8 15.60 -10.08 C:3 10.65 -11.52 C:1 11.89 -9.36 C:9 14.33 -9.36 O 19.25 -12.23 C:11 16.83 -12.23 C:13 18.04 -11.52 C:7 15.60 -11.52 C:6 14.33 -12.23 C:4 11.89 -12.23 C:10 13.12 -10.08 C:5 13.12 -11.52 21 1 -2 2 15 2 3 14 1 19 4 -1 20 5 -1 6 16 2 18 7 -2 19 8 -2 9 11 1 9 12 1 10 13 1 10 17 1 11 19 1 12 20 1 13 20 1 14 16 1 15 16 1 15 17 1 17 18 1 18 21 1 19 21 1 20 21 1', '21 22 H 13.12 -12.53 C 16.83 -13.63 C 20.46 -11.52 C 12.60 -13.44 C 13.12 -8.66 O 18.04 -10.13 O 14.33 -13.63 O 11.20 -13.44 C 10.65 -10.08 C 15.60 -10.08 C 10.65 -11.52 C 11.89 -9.36 C 14.33 -9.36 O 19.25 -12.23 C 16.83 -12.23 C 18.04 -11.52 C 15.60 -11.52 C 14.33 -12.23 C 11.89 -12.23 C 13.12 -10.08 C 13.12 -11.52 21 1 -2 2 15 2 3 14 1 19 4 -1 20 5 -1 6 16 2 18 7 -2 19 8 -2 9 11 1 9 12 1 10 13 1 10 17 1 11 19 1 12 20 1 13 20 1 14 16 1 15 16 1 15 17 1 17 18 1 18 21 1 19 21 1 20 21 1', '21 22 H 13.12 -12.53 C:126 16.83 -13.63 C:52 20.46 -11.52 C:24 12.60 -13.44 C:20 13.12 -8.66 O 18.04 -10.13 O 14.33 -13.63 O 11.20 -13.44 C:20 10.65 -10.08 C:27 15.60 -10.08 C:44 10.65 -11.52 C:43 11.89 -9.36 C:43 14.33 -9.36 O 19.25 -12.23 C:142 16.83 -12.23 C:168 18.04 -11.52 C:50 15.60 -11.52 C:73 14.33 -12.23 C:74 11.89 -12.23 C:36 13.12 -10.08 C:58 13.12 -11.52 21 1 -2 2 15 2 3 14 1 19 4 -1 20 5 -1 6 16 2 18 7 -2 19 8 -2 9 11 1 9 12 1 10 13 1 10 17 1 11 19 1 12 20 1 13 20 1 14 16 1 15 16 1 15 17 1 17 18 1 18 21 1 19 21 1 20 21 1', 'C16H26O4', 282.177, 'C', 'AT-655_1', 2359, '', '', '2', 24, NULL, NULL),
(9511, 'Malkanguniol', '', 'Terpenoids', 'Sesquiterpenoids', 'Agarofurans', '[H][C@:7]13[CH2:6][C@@:5]2(O[C@@:11]1([CH3:13])[CH3:12])[C@@H:4]([CH3:15])[CH2:3][CH2:2][C@@H:1](O)[C@:10]2([CH2:14]O)[C@H:9](O)[C@@H:8]3O', '[H][C@]13C[C@@]2(O[C@@]1(C)C)[C@@H](C)CC[C@@H](O)[C@]2(CO)[C@H](O)[C@@H]3O', '[H][C@:51]13[CH2:36][C@@:87]2(O[C@@:81]1([CH3:32])[CH3:26])[C@@H:40]([CH3:17])[CH2:27][CH2:26][C@@H:70](O)[C@:52]2([CH2:61]O)[C@H:70](O)[C@@H:72]3O', '21 23 H 17.98 -12.57 C:15 13.75 -13.93 C:13 17.45 -14.64 C:12 18.39 -13.62 O 14.95 -7.68 O 13.75 -8.38 O 18.60 -9.83 O 16.13 -8.38 C:14 14.95 -9.08 C:3 12.54 -11.88 C:2 12.54 -10.50 C:6 16.13 -12.57 O 15.15 -13.32 C:4 13.75 -12.57 C:1 13.75 -9.77 C:8 17.36 -10.50 C:9 16.13 -9.77 C:11 17.05 -13.32 C:7 17.36 -11.88 C:5 14.95 -11.88 C:10 14.95 -10.50 19 1 -1 14 2 -1 18 3 -1 4 18 1 5 9 1 15 6 -1 16 7 -2 17 8 -2 21 9 -1 10 11 1 10 14 1 11 15 1 12 19 1 12 20 1 13 18 1 20 13 -2 14 20 1 15 21 1 16 17 1 16 19 1 17 21 1 18 19 1 20 21 1', '21 23 H 17.98 -12.57 C 13.75 -13.93 C 17.45 -14.64 C 18.39 -13.62 O 14.95 -7.68 O 13.75 -8.38 O 18.60 -9.83 O 16.13 -8.38 C 14.95 -9.08 C 12.54 -11.88 C 12.54 -10.50 C 16.13 -12.57 O 15.15 -13.32 C 13.75 -12.57 C 13.75 -9.77 C 17.36 -10.50 C 16.13 -9.77 C 17.05 -13.32 C 17.36 -11.88 C 14.95 -11.88 C 14.95 -10.50 19 1 -1 14 2 -1 18 3 -1 4 18 1 5 9 1 15 6 -1 16 7 -2 17 8 -2 21 9 -1 10 11 1 10 14 1 11 15 1 12 19 1 12 20 1 13 18 1 20 13 -2 14 20 1 15 21 1 16 17 1 16 19 1 17 21 1 18 19 1 20 21 1', '21 23 H 17.98 -12.57 C:17 13.75 -13.93 C:32 17.45 -14.64 C:26 18.39 -13.62 O 14.95 -7.68 O 13.75 -8.38 O 18.60 -9.83 O 16.13 -8.38 C:61 14.95 -9.08 C:27 12.54 -11.88 C:26 12.54 -10.50 C:36 16.13 -12.57 O 15.15 -13.32 C:40 13.75 -12.57 C:70 13.75 -9.77 C:72 17.36 -10.50 C:70 16.13 -9.77 C:81 17.05 -13.32 C:51 17.36 -11.88 C:87 14.95 -11.88 C:52 14.95 -10.50 19 1 -1 14 2 -1 18 3 -1 4 18 1 5 9 1 15 6 -1 16 7 -2 17 8 -2 21 9 -1 10 11 1 10 14 1 11 15 1 12 19 1 12 20 1 13 18 1 20 13 -2 14 20 1 15 21 1 16 17 1 16 19 1 17 21 1 18 19 1 20 21 1', 'C15H26O5', 286.165, 'D', 'AT-655_2', 505, '', '', '2', 24, NULL, NULL),
(9512, 'Polyalcohol B', '', 'Terpenoids', 'Sesquiterpenoids', 'Agarofurans', '[H][C@@:7]23[C@@H:8](O)[CH:9](O)[C@@:10]1([CH3:14])[C@H:1](O)[CH2:2][CH2:3][C@H:4]([CH3:15])[C@:5]1(O[C@@:11]2([CH3:13])[CH3:12])[C@H:6]3O', '[H][C@@]23[C@@H](O)C(O)[C@@]1(C)[C@H](O)CC[C@H](C)[C@]1(O[C@@]2(C)C)[C@H]3O', '[H][C@@:56]23[C@@H:73](O)[CH:80](O)[C@@:46]1([CH3:11])[C@H:77](O)[CH2:25][CH2:27][C@H:34]([CH3:18])[C@:92]1(O[C@@:82]2([CH3:32])[CH3:26])[C@H:75]3O', '21 23 H 17.96 -12.20 C:15 13.77 -13.57 C:13 17.44 -14.28 C:12 18.38 -13.26 C:14 14.96 -8.73 O 13.77 -8.03 O 18.57 -9.42 O 16.14 -8.03 O 16.14 -13.70 C:3 12.56 -11.51 C:2 12.56 -10.13 O 15.16 -12.96 C:4 13.77 -12.20 C:1 13.77 -9.42 C:8 17.35 -10.13 C:9 16.14 -9.42 C:6 16.14 -12.20 C:11 17.04 -12.96 C:7 17.35 -11.51 C:10 14.96 -10.13 C:5 14.96 -11.51 19 1 -1 13 2 -1 18 3 -1 18 4 -2 20 5 -1 14 6 -1 15 7 -2 8 16 1 17 9 -2 10 11 1 10 13 1 11 14 1 12 18 1 21 12 -2 13 21 1 14 20 1 15 16 1 15 19 1 16 20 1 17 19 1 17 21 1 18 19 1 20 21 1', '21 23 H 17.96 -12.20 C 13.77 -13.57 C 17.44 -14.28 C 18.38 -13.26 C 14.96 -8.73 O 13.77 -8.03 O 18.57 -9.42 O 16.14 -8.03 O 16.14 -13.70 C 12.56 -11.51 C 12.56 -10.13 O 15.16 -12.96 C 13.77 -12.20 C 13.77 -9.42 C 17.35 -10.13 C 16.14 -9.42 C 16.14 -12.20 C 17.04 -12.96 C 17.35 -11.51 C 14.96 -10.13 C 14.96 -11.51 19 1 -1 13 2 -1 18 3 -1 18 4 -2 20 5 -1 14 6 -1 15 7 -2 8 16 1 17 9 -2 10 11 1 10 13 1 11 14 1 12 18 1 21 12 -2 13 21 1 14 20 1 15 16 1 15 19 1 16 20 1 17 19 1 17 21 1 18 19 1 20 21 1', '21 23 H 17.96 -12.20 C:18 13.77 -13.57 C:32 17.44 -14.28 C:26 18.38 -13.26 C:11 14.96 -8.73 O 13.77 -8.03 O 18.57 -9.42 O 16.14 -8.03 O 16.14 -13.70 C:27 12.56 -11.51 C:25 12.56 -10.13 O 15.16 -12.96 C:34 13.77 -12.20 C:77 13.77 -9.42 C:73 17.35 -10.13 C:80 16.14 -9.42 C:75 16.14 -12.20 C:82 17.04 -12.96 C:56 17.35 -11.51 C:46 14.96 -10.13 C:92 14.96 -11.51 19 1 -1 13 2 -1 18 3 -1 18 4 -2 20 5 -1 14 6 -1 15 7 -2 8 16 1 17 9 -2 10 11 1 10 13 1 11 14 1 12 18 1 21 12 -2 13 21 1 14 20 1 15 16 1 15 19 1 16 20 1 17 19 1 17 21 1 18 19 1 20 21 1', 'C15H26O5', 286.165, 'D', 'AT-656_1', 505, '', '', '2', 24, 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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(9534, '(7R,8S)-9-O-shikimoyl-4-O-b-D-glucopyranosyldihydrodehydrodiconiferyl alcohol', '', 'Lignans', 'Neolignans', 'Benzofurans', '[CH3:103001]O[c:103]4[cH:102][c:101]([C@@H:107]2O[c:4]1[c:3](O[CH3:3001])[cH:2][c:1]([CH2:7][CH2:8][CH2:9]O)[cH:6][c:5]1[C@H:108]2[CH2:109]O[C:301](=O)[C:302]3=[CH:303][C@@H:304](O)[C@@H:305](O)[C@H:306](O)[CH2:307]3)[cH:106][cH:105][c:104]4O[C@@H:201]5O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]5O', 'COc4cc([C@@H]2Oc1c(OC)cc(CCCO)cc1[C@H]2COC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)ccc4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O', '[CH3:57]O[c:151]4[cH:111][c:138]([C@@H:89]2O[c:148]1[c:145](O[CH3:57])[cH:114][c:136]([CH2:33][CH2:36][CH2:62]O)[cH:118][c:130]1[C@H:56]2[CH2:65]O[C:168](=O)[C:139]3=[CH:130][C@@H:73](O)[C@@H:68](O)[C@H:67](O)[CH2:32]3)[cH:119][cH:118][c:148]4O[C@@H:103]5O[C@H:78]([CH2:62]O)[C@@H:71](O)[C@H:78](O)[C@H:75]5O', '48 52 C:103001 15.88 -17.14 C:3001 20.72 -14.23 O 12.44 -9.92 O 24.92 -6.97 O 8.59 -10.06 O 17.02 -5.88 O 12.28 -4.86 O 14.93 -4.00 O 7.37 -14.94 O 7.38 -12.14 O 9.82 -16.36 C:303 15.39 -7.68 C:106 14.66 -12.27 C:105 13.45 -12.94 C:2 21.41 -10.59 C:102 15.88 -14.34 C:6 19.30 -9.39 C:9 23.51 -6.97 C:206 9.81 -10.76 C:8 22.80 -8.17 C:7 21.41 -8.17 C:109 16.17 -9.92 C:307 13.02 -7.17 O 14.66 -16.44 O 21.41 -13.00 O 14.83 -10.40 O 12.23 -14.96 O 18.35 -12.84 O 11.02 -12.86 C:301 13.77 -9.46 C:302 14.06 -8.11 C:1 20.72 -9.39 C:101 15.88 -12.94 C:104 13.45 -14.26 C:103 14.66 -15.03 C:3 20.72 -11.80 C:5 18.60 -10.59 C:4 19.30 -11.80 C:304 15.68 -6.31 C:306 13.31 -5.80 C:305 14.64 -5.37 C:203 8.58 -14.25 C:204 8.58 -12.85 C:202 9.81 -14.96 C:205 9.81 -12.16 C:201 11.02 -14.26 C:108 17.21 -10.88 C:107 17.07 -12.27 1 24 1 2 25 1 3 30 2 4 18 1 5 19 1 39 6 -2 40 7 -1 41 8 -2 42 9 -1 43 10 -2 44 11 -2 12 31 2 12 39 1 13 14 1 13 33 2 14 34 2 15 32 1 15 36 2 16 33 1 16 35 2 17 32 2 17 37 1 18 20 1 45 19 -1 20 21 1 21 32 1 22 26 1 47 22 -2 23 31 1 23 40 1 24 35 1 25 36 1 26 30 1 27 34 1 46 27 -1 28 38 1 28 48 1 29 45 1 29 46 1 30 31 1 48 33 -1 34 35 1 36 38 1 37 38 2 37 47 1 39 41 1 40 41 1 42 43 1 42 44 1 43 45 1 44 46 1 47 48 1', '48 52 C 15.88 -17.14 C 20.72 -14.23 O 12.44 -9.92 O 24.92 -6.97 O 8.59 -10.06 O 17.02 -5.88 O 12.28 -4.86 O 14.93 -4.00 O 7.37 -14.94 O 7.38 -12.14 O 9.82 -16.36 C 15.39 -7.68 C 14.66 -12.27 C 13.45 -12.94 C 21.41 -10.59 C 15.88 -14.34 C 19.30 -9.39 C 23.51 -6.97 C 9.81 -10.76 C 22.80 -8.17 C 21.41 -8.17 C 16.17 -9.92 C 13.02 -7.17 O 14.66 -16.44 O 21.41 -13.00 O 14.83 -10.40 O 12.23 -14.96 O 18.35 -12.84 O 11.02 -12.86 C 13.77 -9.46 C 14.06 -8.11 C 20.72 -9.39 C 15.88 -12.94 C 13.45 -14.26 C 14.66 -15.03 C 20.72 -11.80 C 18.60 -10.59 C 19.30 -11.80 C 15.68 -6.31 C 13.31 -5.80 C 14.64 -5.37 C 8.58 -14.25 C 8.58 -12.85 C 9.81 -14.96 C 9.81 -12.16 C 11.02 -14.26 C 17.21 -10.88 C 17.07 -12.27 1 24 1 2 25 1 3 30 2 4 18 1 5 19 1 39 6 -2 40 7 -1 41 8 -2 42 9 -1 43 10 -2 44 11 -2 12 31 2 12 39 1 13 14 1 13 33 2 14 34 2 15 32 1 15 36 2 16 33 1 16 35 2 17 32 2 17 37 1 18 20 1 45 19 -1 20 21 1 21 32 1 22 26 1 47 22 -2 23 31 1 23 40 1 24 35 1 25 36 1 26 30 1 27 34 1 46 27 -1 28 38 1 28 48 1 29 45 1 29 46 1 30 31 1 48 33 -1 34 35 1 36 38 1 37 38 2 37 47 1 39 41 1 40 41 1 42 43 1 42 44 1 43 45 1 44 46 1 47 48 1', '48 52 C:57 15.88 -17.14 C:57 20.72 -14.23 O 12.44 -9.92 O 24.92 -6.97 O 8.59 -10.06 O 17.02 -5.88 O 12.28 -4.86 O 14.93 -4.00 O 7.37 -14.94 O 7.38 -12.14 O 9.82 -16.36 C:130 15.39 -7.68 C:119 14.66 -12.27 C:118 13.45 -12.94 C:114 21.41 -10.59 C:111 15.88 -14.34 C:118 19.30 -9.39 C:62 23.51 -6.97 C:62 9.81 -10.76 C:36 22.80 -8.17 C:33 21.41 -8.17 C:65 16.17 -9.92 C:32 13.02 -7.17 O 14.66 -16.44 O 21.41 -13.00 O 14.83 -10.40 O 12.23 -14.96 O 18.35 -12.84 O 11.02 -12.86 C:168 13.77 -9.46 C:139 14.06 -8.11 C:136 20.72 -9.39 C:138 15.88 -12.94 C:148 13.45 -14.26 C:151 14.66 -15.03 C:145 20.72 -11.80 C:130 18.60 -10.59 C:148 19.30 -11.80 C:73 15.68 -6.31 C:67 13.31 -5.80 C:68 14.64 -5.37 C:78 8.58 -14.25 C:71 8.58 -12.85 C:75 9.81 -14.96 C:78 9.81 -12.16 C:103 11.02 -14.26 C:56 17.21 -10.88 C:89 17.07 -12.27 1 24 1 2 25 1 3 30 2 4 18 1 5 19 1 39 6 -2 40 7 -1 41 8 -2 42 9 -1 43 10 -2 44 11 -2 12 31 2 12 39 1 13 14 1 13 33 2 14 34 2 15 32 1 15 36 2 16 33 1 16 35 2 17 32 2 17 37 1 18 20 1 45 19 -1 20 21 1 21 32 1 22 26 1 47 22 -2 23 31 1 23 40 1 24 35 1 25 36 1 26 30 1 27 34 1 46 27 -1 28 38 1 28 48 1 29 45 1 29 46 1 30 31 1 48 33 -1 34 35 1 36 38 1 37 38 2 37 47 1 39 41 1 40 41 1 42 43 1 42 44 1 43 45 1 44 46 1 47 48 1', 'C33H42O15', 678.344, 'M', 'pm07_484_3', 2238, '', '', '1', 34, 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
(9535, '6a-Hidroxycostic acid', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:5]12[C:4](=[CH2:15])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][CH2:8][CH:7]([C:11](=[CH2:12])[C:13](=O)O[CH3:13001])[C@@H:6]2O', '[H][C@]12C(=C)CCC[C@]1(C)CCC(C(=C)C(=O)OC)[C@@H]2O', '[H][C@:58]12[C:9999](=[CH2:107])[CH2:38][CH2:27][CH2:42][C@:37]1([CH3:18])[CH2:40][CH2:24][CH:48]([C:147](=[CH2:125])[C:168](=O)O[CH3:52])[C@@H:69]2O', '20 21 H 13.70 -11.98 C:15 12.47 -13.10 C:12 17.40 -13.08 C:13001 21.05 -11.01 C:14 13.70 -8.11 O 18.62 -9.59 O 14.91 -13.08 C:2 11.23 -9.54 C:3 11.23 -10.97 C:8 16.18 -9.54 C:1 12.47 -8.82 C:9 14.91 -8.82 O 19.83 -11.70 C:4 12.47 -11.68 C:11 17.40 -11.68 C:13 18.62 -10.99 C:7 16.18 -10.97 C:6 14.91 -11.68 C:10 13.70 -9.54 C:5 13.70 -10.97 20 1 -2 2 14 2 3 15 2 4 13 1 19 5 -1 6 16 2 18 7 -2 8 9 1 8 11 1 9 14 1 10 12 1 10 17 1 11 19 1 12 19 1 13 16 1 14 20 1 15 16 1 15 17 1 17 18 1 18 20 1 19 20 1', '20 21 H 13.70 -11.98 C 12.47 -13.10 C 17.40 -13.08 C 21.05 -11.01 C 13.70 -8.11 O 18.62 -9.59 O 14.91 -13.08 C 11.23 -9.54 C 11.23 -10.97 C 16.18 -9.54 C 12.47 -8.82 C 14.91 -8.82 O 19.83 -11.70 C 12.47 -11.68 C 17.40 -11.68 C 18.62 -10.99 C 16.18 -10.97 C 14.91 -11.68 C 13.70 -9.54 C 13.70 -10.97 20 1 -2 2 14 2 3 15 2 4 13 1 19 5 -1 6 16 2 18 7 -2 8 9 1 8 11 1 9 14 1 10 12 1 10 17 1 11 19 1 12 19 1 13 16 1 14 20 1 15 16 1 15 17 1 17 18 1 18 20 1 19 20 1', '20 21 H 13.70 -11.98 C:107 12.47 -13.10 C:125 17.40 -13.08 C:52 21.05 -11.01 C:18 13.70 -8.11 O 18.62 -9.59 O 14.91 -13.08 C:27 11.23 -9.54 C:38 11.23 -10.97 C:24 16.18 -9.54 C:42 12.47 -8.82 C:40 14.91 -8.82 O 19.83 -11.70 C 12.47 -11.68 C:147 17.40 -11.68 C:168 18.62 -10.99 C:48 16.18 -10.97 C:69 14.91 -11.68 C:37 13.70 -9.54 C:58 13.70 -10.97 20 1 -2 2 14 2 3 15 2 4 13 1 19 5 -1 6 16 2 18 7 -2 8 9 1 8 11 1 9 14 1 10 12 1 10 17 1 11 19 1 12 19 1 13 16 1 14 20 1 15 16 1 15 17 1 17 18 1 18 20 1 19 20 1', 'C16H24O3', 264.177, 'C', 'AT-650_1', 2359, 'error C-4 at 14.30 ppm', '', '2', 24, NULL, NULL),
(9536, 'Dendocarbin A', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH:7]=[C:8]1[C:12](=O)O[C@@H:11](O)[C@:9]1([H])[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23CC=C1C(=O)O[C@@H](O)[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:51]23[CH2:27][CH:138]=[C:131]1[C:171](=O)O[C@@H:9999](O)[C@:60]1([H])[C@@:36]2([CH3:16])[CH2:41][CH2:20][CH2:44][C@@:35]3([CH3:23])[CH3:34]', '20 22 H 14.91 -12.96 H 16.18 -10.76 C:14 12.76 -13.70 C:13 14.41 -13.84 C:15 14.91 -9.02 O 19.87 -9.82 O 15.56 -7.31 C:7 17.41 -11.92 C:2 12.40 -10.50 C:6 16.18 -12.65 C:3 12.40 -11.92 C:1 13.66 -9.75 O 17.92 -8.20 C:12 18.50 -9.55 C:8 17.41 -10.50 C:11 16.48 -8.33 C:4 13.66 -12.65 C:5 14.91 -11.92 C:9 16.18 -9.75 C:10 14.91 -10.50 18 1 -2 19 2 -2 17 3 -1 17 4 -2 20 5 -1 6 14 2 16 7 -2 8 10 1 8 15 2 9 11 1 9 12 1 10 18 1 11 17 1 12 20 1 13 14 1 13 16 1 14 15 1 15 19 1 16 19 1 17 18 1 18 20 1 19 20 1', '20 22 H 14.91 -12.96 H 16.18 -10.76 C 12.76 -13.70 C 14.41 -13.84 C 14.91 -9.02 O 19.87 -9.82 O 15.56 -7.31 C 17.41 -11.92 C 12.40 -10.50 C 16.18 -12.65 C 12.40 -11.92 C 13.66 -9.75 O 17.92 -8.20 C 18.50 -9.55 C 17.41 -10.50 C 16.48 -8.33 C 13.66 -12.65 C 14.91 -11.92 C 16.18 -9.75 C 14.91 -10.50 18 1 -2 19 2 -2 17 3 -1 17 4 -2 20 5 -1 6 14 2 16 7 -2 8 10 1 8 15 2 9 11 1 9 12 1 10 18 1 11 17 1 12 20 1 13 14 1 13 16 1 14 15 1 15 19 1 16 19 1 17 18 1 18 20 1 19 20 1', '20 22 H 14.91 -12.96 H 16.18 -10.76 C:23 12.76 -13.70 C:34 14.41 -13.84 C:16 14.91 -9.02 O 19.87 -9.82 O 15.56 -7.31 C:138 17.41 -11.92 C:20 12.40 -10.50 C:27 16.18 -12.65 C:44 12.40 -11.92 C:41 13.66 -9.75 O 17.92 -8.20 C:171 18.50 -9.55 C:131 17.41 -10.50 C 16.48 -8.33 C:35 13.66 -12.65 C:51 14.91 -11.92 C:60 16.18 -9.75 C:36 14.91 -10.50 18 1 -2 19 2 -2 17 3 -1 17 4 -2 20 5 -1 6 14 2 16 7 -2 8 10 1 8 15 2 9 11 1 9 12 1 10 18 1 11 17 1 12 20 1 13 14 1 13 16 1 14 15 1 15 19 1 16 19 1 17 18 1 18 20 1 19 20 1', 'C15H22O3', 250.175, 'M', 'np01_726_1', 1969, '', '', '1', 38, NULL, NULL),
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(9538, 'Dendocarbin C', '', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@:9]13[C:8](=[CH:7][C@H:6](O)[C@@:5]2([H])[C@@:4]([CH3:13])([CH3:14])[CH2:3][CH2:2][CH2:1][C@:10]12[CH3:15])[CH2:12]O[C@H:11]3O', '[H][C@]13C(=C[C@H](O)[C@@]2([H])[C@@](C)(C)CCC[C@]12C)CO[C@H]3O', '[H][C@:62]13[C:9999](=[CH:121][C@H:69](O)[C@@:59]2([H])[C@@:33]([CH3:37])([CH3:22])[CH2:44][CH2:19][CH2:36][C@:40]12[CH3:15])[CH2:69]O[C@H:99]3O', '20 22 H 16.31 -11.25 H 15.00 -13.45 C:14 12.85 -14.19 C:13 14.50 -14.33 C:15 15.00 -9.52 O 16.31 -14.53 O 15.65 -7.79 C:7 17.51 -12.42 C:2 12.50 -11.00 C:12 18.60 -10.04 C:3 12.50 -12.42 C:1 13.75 -10.25 O 18.02 -8.70 C:8 17.51 -11.00 C:6 16.28 -13.15 C:11 16.57 -8.82 C:4 13.75 -13.15 C:9 16.31 -10.25 C:10 15.00 -11.00 C:5 15.00 -12.42 18 1 -2 20 2 -2 17 3 -1 17 4 -2 19 5 -1 15 6 -2 16 7 -2 8 14 2 8 15 1 9 11 1 9 12 1 10 13 1 10 14 1 11 17 1 12 19 1 13 16 1 14 18 1 15 20 1 16 18 1 17 20 1 18 19 1 19 20 1', '20 22 H 16.31 -11.25 H 15.00 -13.45 C 12.85 -14.19 C 14.50 -14.33 C 15.00 -9.52 O 16.31 -14.53 O 15.65 -7.79 C 17.51 -12.42 C 12.50 -11.00 C 18.60 -10.04 C 12.50 -12.42 C 13.75 -10.25 O 18.02 -8.70 C 17.51 -11.00 C 16.28 -13.15 C 16.57 -8.82 C 13.75 -13.15 C 16.31 -10.25 C 15.00 -11.00 C 15.00 -12.42 18 1 -2 20 2 -2 17 3 -1 17 4 -2 19 5 -1 15 6 -2 16 7 -2 8 14 2 8 15 1 9 11 1 9 12 1 10 13 1 10 14 1 11 17 1 12 19 1 13 16 1 14 18 1 15 20 1 16 18 1 17 20 1 18 19 1 19 20 1', '20 22 H 16.31 -11.25 H 15.00 -13.45 C:22 12.85 -14.19 C:37 14.50 -14.33 C:15 15.00 -9.52 O 16.31 -14.53 O 15.65 -7.79 C:121 17.51 -12.42 C:19 12.50 -11.00 C:69 18.60 -10.04 C:44 12.50 -12.42 C:36 13.75 -10.25 O 18.02 -8.70 C 17.51 -11.00 C:69 16.28 -13.15 C:99 16.57 -8.82 C:33 13.75 -13.15 C:62 16.31 -10.25 C:40 15.00 -11.00 C:59 15.00 -12.42 18 1 -2 20 2 -2 17 3 -1 17 4 -2 19 5 -1 15 6 -2 16 7 -2 8 14 2 8 15 1 9 11 1 9 12 1 10 13 1 10 14 1 11 17 1 12 19 1 13 16 1 14 18 1 15 20 1 16 18 1 17 20 1 18 19 1 19 20 1', 'C15H24O3', 252.175, 'B', 'np01_726_3', 1969, '', '', '1', 38, NULL, NULL),
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(9557, '', '11,12-Diacetoxydrimane', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]12[CH2:6][CH2:7][C@H:8]([CH2:12]O[C:12001]([CH3:12002])=O)[C@H:9]([CH2:11]O[C:11001]([CH3:11002])=O)[C@@:10]1([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:14])[CH3:13]', '[H][C@@]12CC[C@H](COC(C)=O)[C@H](COC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:51]12[CH2:19][CH2:29][C@H:52]([CH2:63]O[C:9999]([CH3:9999])=O)[C@H:56]([CH2:64]O[C:171]([CH3:21])=O)[C@@:9999]1([CH3:17])[CH2:39][CH2:18][CH2:42][C@@:33]2([CH3:22])[CH3:34]', '24 25 H 13.71 -13.81 C:12002 21.06 -11.32 C:11002 17.43 -6.46 C:14 11.58 -14.54 C:13 13.21 -14.68 C:15 13.71 -9.93 O 19.85 -9.23 O 14.96 -6.46 C:2 11.25 -11.38 C:7 16.19 -12.78 C:3 11.25 -12.78 C:1 12.48 -10.64 C:6 14.96 -13.49 C:12 17.43 -10.64 C:11 14.96 -9.24 O 18.64 -11.33 O 16.19 -8.55 C:12001 19.85 -10.63 C:11001 16.19 -7.15 C:8 16.19 -11.38 C:9 14.96 -10.64 C:4 12.48 -13.49 C:5 13.71 -12.78 C:10 13.71 -11.38 23 1 -2 2 18 1 3 19 1 22 4 -1 22 5 -2 24 6 -1 7 18 2 8 19 2 9 11 1 9 12 1 10 13 1 10 20 1 11 22 1 12 24 1 13 23 1 14 16 1 20 14 -1 15 17 1 21 15 -1 16 18 1 17 19 1 20 21 1 21 24 1 22 23 1 23 24 1', '24 25 H 13.71 -13.81 C 21.06 -11.32 C 17.43 -6.46 C 11.58 -14.54 C 13.21 -14.68 C 13.71 -9.93 O 19.85 -9.23 O 14.96 -6.46 C 11.25 -11.38 C 16.19 -12.78 C 11.25 -12.78 C 12.48 -10.64 C 14.96 -13.49 C 17.43 -10.64 C 14.96 -9.24 O 18.64 -11.33 O 16.19 -8.55 C 19.85 -10.63 C 16.19 -7.15 C 16.19 -11.38 C 14.96 -10.64 C 12.48 -13.49 C 13.71 -12.78 C 13.71 -11.38 23 1 -2 2 18 1 3 19 1 22 4 -1 22 5 -2 24 6 -1 7 18 2 8 19 2 9 11 1 9 12 1 10 13 1 10 20 1 11 22 1 12 24 1 13 23 1 14 16 1 20 14 -1 15 17 1 21 15 -1 16 18 1 17 19 1 20 21 1 21 24 1 22 23 1 23 24 1', '24 25 H 13.71 -13.81 C 21.06 -11.32 C:21 17.43 -6.46 C:22 11.58 -14.54 C:34 13.21 -14.68 C:17 13.71 -9.93 O 19.85 -9.23 O 14.96 -6.46 C:18 11.25 -11.38 C:29 16.19 -12.78 C:42 11.25 -12.78 C:39 12.48 -10.64 C:19 14.96 -13.49 C:63 17.43 -10.64 C:64 14.96 -9.24 O 18.64 -11.33 O 16.19 -8.55 C 19.85 -10.63 C:171 16.19 -7.15 C:52 16.19 -11.38 C:56 14.96 -10.64 C:33 12.48 -13.49 C:51 13.71 -12.78 C 13.71 -11.38 23 1 -2 2 18 1 3 19 1 22 4 -1 22 5 -2 24 6 -1 7 18 2 8 19 2 9 11 1 9 12 1 10 13 1 10 20 1 11 22 1 12 24 1 13 23 1 14 16 1 20 14 -1 15 17 1 21 15 -1 16 18 1 17 19 1 20 21 1 21 24 1 22 23 1 23 24 1', 'C19H32O4', 324.209, 'C', 'np99_1488_3', 179, '', 'Idéntico a np96_866_3', '1', 38, NULL, NULL),
(9558, '', '11,12-Epoxydrim-8,12-en-11-ol', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8]1=[CH:12]O[C@H:11](O)[C@:9]1([H])[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23CCC1=CO[C@H](O)[C@]1([H])[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:53]23[CH2:23][CH2:23][C:114]1=[CH:134]O[C@H:100](O)[C@:66]1([H])[C@@:9999]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]3([CH3:22])[CH3:34]', '19 21 H 15.05 -13.55 H 16.32 -11.36 C:13 14.54 -14.43 C:14 12.90 -14.29 C:15 15.05 -9.62 O 15.70 -7.89 C:12 18.65 -10.14 C:2 12.54 -11.10 C:7 17.55 -12.52 C:3 12.54 -12.52 C:1 13.79 -10.35 C:6 16.32 -13.25 O 18.06 -8.80 C:8 17.55 -11.10 C:11 16.61 -8.93 C:4 13.79 -13.25 C:5 15.05 -12.52 C:9 16.32 -10.35 C:10 15.05 -11.10 17 1 -2 18 2 -2 16 3 -2 16 4 -1 19 5 -1 15 6 -1 7 13 1 7 14 2 8 10 1 8 11 1 9 12 1 9 14 1 10 16 1 11 19 1 12 17 1 13 15 1 14 18 1 15 18 1 16 17 1 17 19 1 18 19 1', '19 21 H 15.05 -13.55 H 16.32 -11.36 C 14.54 -14.43 C 12.90 -14.29 C 15.05 -9.62 O 15.70 -7.89 C 18.65 -10.14 C 12.54 -11.10 C 17.55 -12.52 C 12.54 -12.52 C 13.79 -10.35 C 16.32 -13.25 O 18.06 -8.80 C 17.55 -11.10 C 16.61 -8.93 C 13.79 -13.25 C 15.05 -12.52 C 16.32 -10.35 C 15.05 -11.10 17 1 -2 18 2 -2 16 3 -2 16 4 -1 19 5 -1 15 6 -1 7 13 1 7 14 2 8 10 1 8 11 1 9 12 1 9 14 1 10 16 1 11 19 1 12 17 1 13 15 1 14 18 1 15 18 1 16 17 1 17 19 1 18 19 1', '19 21 H 15.05 -13.55 H 16.32 -11.36 C:34 14.54 -14.43 C:22 12.90 -14.29 C:14 15.05 -9.62 O 15.70 -7.89 C:134 18.65 -10.14 C:19 12.54 -11.10 C:23 17.55 -12.52 C:42 12.54 -12.52 C:39 13.79 -10.35 C:23 16.32 -13.25 O 18.06 -8.80 C:114 17.55 -11.10 C:100 16.61 -8.93 C:33 13.79 -13.25 C:53 15.05 -12.52 C:66 16.32 -10.35 C 15.05 -11.10 17 1 -2 18 2 -2 16 3 -2 16 4 -1 19 5 -1 15 6 -1 7 13 1 7 14 2 8 10 1 8 11 1 9 12 1 9 14 1 10 16 1 11 19 1 12 17 1 13 15 1 14 18 1 15 18 1 16 17 1 17 19 1 18 19 1', 'C15H24O2', 236.175, 'C', 'np99_1488_2', 179, '', '', '1', 38, 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
(9559, '', '11-Acetoxy-8-drimene', 'Terpenoids', 'Sesquiterpenoids', 'Drimanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8]([CH3:12])=[C:9]([CH2:11]O[C:11001]([CH3:11002])=O)[C@@:10]1([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:14])[CH3:13]', '[H][C@@]12CCC(C)=C(COC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:51]12[CH2:19][CH2:34][C:135]([CH3:21])=[C:136]([CH2:61]O[C:172]([CH3:21])=O)[C@@:38]1([CH3:20])[CH2:36][CH2:19][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '20 21 H 14.96 -14.39 C:11002 18.68 -7.02 C:12 18.68 -11.22 C:13 14.47 -15.26 C:14 12.84 -15.12 C:15 14.96 -10.52 O 16.21 -7.02 C:2 12.50 -11.96 C:7 17.44 -13.36 C:3 12.50 -13.36 C:1 13.74 -11.22 C:6 16.21 -14.07 C:11 16.21 -9.82 O 17.44 -9.12 C:11001 17.44 -7.72 C:8 17.44 -11.96 C:9 16.21 -11.22 C:4 13.74 -14.07 C:5 14.96 -13.36 C:10 14.96 -11.96 19 1 -2 2 15 1 3 16 1 18 4 -2 18 5 -1 20 6 -1 7 15 2 8 10 1 8 11 1 9 12 1 9 16 1 10 18 1 11 20 1 12 19 1 13 14 1 13 17 1 14 15 1 16 17 2 17 20 1 18 19 1 19 20 1', '20 21 H 14.96 -14.39 C 18.68 -7.02 C 18.68 -11.22 C 14.47 -15.26 C 12.84 -15.12 C 14.96 -10.52 O 16.21 -7.02 C 12.50 -11.96 C 17.44 -13.36 C 12.50 -13.36 C 13.74 -11.22 C 16.21 -14.07 C 16.21 -9.82 O 17.44 -9.12 C 17.44 -7.72 C 17.44 -11.96 C 16.21 -11.22 C 13.74 -14.07 C 14.96 -13.36 C 14.96 -11.96 19 1 -2 2 15 1 3 16 1 18 4 -2 18 5 -1 20 6 -1 7 15 2 8 10 1 8 11 1 9 12 1 9 16 1 10 18 1 11 20 1 12 19 1 13 14 1 13 17 1 14 15 1 16 17 2 17 20 1 18 19 1 19 20 1', '20 21 H 14.96 -14.39 C:21 18.68 -7.02 C:21 18.68 -11.22 C:33 14.47 -15.26 C:22 12.84 -15.12 C:20 14.96 -10.52 O 16.21 -7.02 C:19 12.50 -11.96 C:34 17.44 -13.36 C:42 12.50 -13.36 C:36 13.74 -11.22 C:19 16.21 -14.07 C:61 16.21 -9.82 O 17.44 -9.12 C:172 17.44 -7.72 C:135 17.44 -11.96 C:136 16.21 -11.22 C:33 13.74 -14.07 C:51 14.96 -13.36 C:38 14.96 -11.96 19 1 -2 2 15 1 3 16 1 18 4 -2 18 5 -1 20 6 -1 7 15 2 8 10 1 8 11 1 9 12 1 9 16 1 10 18 1 11 20 1 12 19 1 13 14 1 13 17 1 14 15 1 16 17 2 17 20 1 18 19 1 19 20 1', 'C17H28O2', 264.189, 'C', 'np99_1488_13', 179, '', '', '1', 38, NULL, NULL),
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