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
(7832, '', '11beta,13-Dihydromikamicranolide', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[H][C@@:3]35O[C@@H:5]1[CH2:4][C:15](=O)O[C@:6]14[C@:7]2([H])[C@@H:11]([CH3:13])[C:12](=O)O[C@H:8]2[CH2:9][C@@:10]([CH3:14])([CH2:1][C@:2]34O)O5', '[H][C@@]35O[C@@H]1CC(=O)O[C@]14[C@]2([H])[C@@H](C)C(=O)O[C@H]2C[C@@](C)(C[C@]34O)O5', '[H][C@@:116]35O[C@@H:81]1[CH2:38][C:175](=O)O[C@:91]14[C@:50]2([H])[C@@H:39]([CH3:16])[C:178](=O)O[C@H:76]2[CH2:44][C@@:84]([CH3:31])([CH2:45][C@:88]34O)O5', '24 28 H 11.84 -9.75 H 15.74 -12.63 C:13 17.52 -13.49 C:14 13.92 -6.74 O 14.37 -15.55 O 19.36 -11.00 O 15.07 -10.98 C:4 12.58 -13.74 C:9 15.46 -8.87 C:1 14.77 -9.30 O 17.08 -9.85 O 14.77 -13.04 O 11.75 -11.18 O 12.58 -8.60 C:15 13.92 -14.19 C:12 17.93 -11.00 C:11 17.08 -12.16 C:8 15.74 -10.29 C:5 12.58 -12.32 C:10 13.92 -8.16 C:3 12.58 -10.03 C:7 15.74 -11.72 C:2 13.92 -10.45 C:6 13.92 -11.89 21 1 -2 22 2 -2 17 3 -2 20 4 -2 5 15 2 6 16 2 23 7 -2 8 15 1 8 19 1 9 18 1 9 20 1 10 20 1 10 23 1 11 16 1 18 11 -2 12 15 1 24 12 -2 19 13 -1 13 21 1 20 14 -1 14 21 1 16 17 1 17 22 1 18 22 1 19 24 1 21 23 1 22 24 1 23 24 1', '24 28 H 11.84 -9.75 H 15.74 -12.63 C 17.52 -13.49 C 13.92 -6.74 O 14.37 -15.55 O 19.36 -11.00 O 15.07 -10.98 C 12.58 -13.74 C 15.46 -8.87 C 14.77 -9.30 O 17.08 -9.85 O 14.77 -13.04 O 11.75 -11.18 O 12.58 -8.60 C 13.92 -14.19 C 17.93 -11.00 C 17.08 -12.16 C 15.74 -10.29 C 12.58 -12.32 C 13.92 -8.16 C 12.58 -10.03 C 15.74 -11.72 C 13.92 -10.45 C 13.92 -11.89 21 1 -2 22 2 -2 17 3 -2 20 4 -2 5 15 2 6 16 2 23 7 -2 8 15 1 8 19 1 9 18 1 9 20 1 10 20 1 10 23 1 11 16 1 18 11 -2 12 15 1 24 12 -2 19 13 -1 13 21 1 20 14 -1 14 21 1 16 17 1 17 22 1 18 22 1 19 24 1 21 23 1 22 24 1 23 24 1', '24 28 H 11.84 -9.75 H 15.74 -12.63 C:16 17.52 -13.49 C:31 13.92 -6.74 O 14.37 -15.55 O 19.36 -11.00 O 15.07 -10.98 C:38 12.58 -13.74 C:44 15.46 -8.87 C:45 14.77 -9.30 O 17.08 -9.85 O 14.77 -13.04 O 11.75 -11.18 O 12.58 -8.60 C:175 13.92 -14.19 C:178 17.93 -11.00 C:39 17.08 -12.16 C:76 15.74 -10.29 C:81 12.58 -12.32 C:84 13.92 -8.16 C:116 12.58 -10.03 C:50 15.74 -11.72 C:88 13.92 -10.45 C:91 13.92 -11.89 21 1 -2 22 2 -2 17 3 -2 20 4 -2 5 15 2 6 16 2 23 7 -2 8 15 1 8 19 1 9 18 1 9 20 1 10 20 1 10 23 1 11 16 1 18 11 -2 12 15 1 24 12 -2 19 13 -1 13 21 1 20 14 -1 14 21 1 16 17 1 17 22 1 18 22 1 19 24 1 21 23 1 22 24 1 23 24 1', 'C15H18O7', 310.172, 'P', 'np04_734_2', 920, '', '', '1', 1, NULL, NULL),
(7833, 'Triacetylelegain', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:13]=[C:11]3[CH2:12]O[C@H:8]4[CH:9]=[C:10]([CH3:14])[C@@H:1]([CH2:113][C@H:112]2[C:111](=O)O[C@H:108]1[CH:109]=[C:110]([CH3:114])[C@@H:101](O[C:101001]([CH3:101002])=O)[CH2:102][CH2:103][C:104]([CH3:115])=[CH:105][C@@H:106](O[C:106001]([CH3:106002])=O)[C@@H:107]12)[CH2:2][CH2:3][C:4]([CH3:15])=[CH:5][C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7]34', 'C=C3CO[C@H]4C=C(C)[C@@H](C[C@H]2C(=O)O[C@H]1C=C(C)[C@@H](OC(C)=O)CCC(C)=C[C@@H](OC(C)=O)[C@@H]12)CCC(C)=C[C@@H](OC(C)=O)[C@H]34', '[CH2:122]=[C:137]3[CH2:170]O[C@H:75]4[CH:127]=[C:144]([CH3:18])[C@@H:34]([CH2:33][C@H:177]2[C:44](=O)O[C@H:75]1[CH:129]=[C:137]([CH3:17])[C@@H:69](O[C:170]([CH3:9999])=O)[CH2:24][CH2:37][C:138]([CH3:16])=[CH:126][C@@H:75](O[C:170]([CH3:9999])=O)[C@@H:51]12)[CH2:26][CH2:35][C:138]([CH3:15])=[CH:126][C@@H:73](O[C:170]([CH3:9999])=O)[C@H:50]34', '45 48 C:13 19.12 -17.61 C:6002 15.21 -18.20 C:106002 13.42 -13.13 C:101002 11.04 -4.06 C:15 14.24 -15.19 C:115 11.75 -10.74 C:14 18.13 -10.67 C:114 13.58 -5.10 O 14.61 -16.06 O 12.26 -11.26 O 10.17 -6.32 O 19.53 -9.35 C:5 16.55 -14.06 C:105 13.49 -8.74 C:9 19.37 -12.67 C:109 15.63 -6.44 C:3 14.61 -12.75 C:103 11.24 -8.35 C:2 15.71 -11.88 C:102 11.88 -7.12 C:12 20.98 -15.91 C:113 17.10 -11.15 O 20.98 -14.51 O 16.86 -16.44 O 14.55 -10.83 O 12.57 -5.94 O 17.78 -7.60 C:6001 15.52 -16.83 C:106001 13.42 -11.72 C:101001 11.24 -5.44 C:4 15.08 -14.06 C:104 12.20 -9.35 C:10 18.13 -12.05 C:110 14.24 -6.32 C:11 19.59 -16.29 C:111 18.22 -8.95 C:8 19.69 -14.06 C:6 17.43 -15.19 C:106 14.67 -9.44 C:108 16.39 -7.60 C:1 16.86 -12.67 C:101 13.30 -7.35 C:112 17.10 -9.76 C:7 18.83 -15.19 C:107 15.97 -8.95 1 35 2 2 28 1 3 29 1 4 30 1 5 31 1 6 32 1 7 33 1 8 34 1 9 28 2 10 29 2 11 30 2 12 36 2 13 31 2 13 38 1 14 32 2 14 39 1 15 33 2 15 37 1 16 34 2 16 40 1 17 19 1 17 31 1 18 20 1 18 32 1 19 41 1 20 42 1 21 23 1 21 35 1 41 22 -2 43 22 -2 37 23 -2 24 28 1 38 24 -2 25 29 1 39 25 -2 26 30 1 42 26 -2 27 36 1 40 27 -2 33 41 1 34 42 1 44 35 -1 36 43 1 37 44 1 38 44 1 39 45 1 40 45 1 45 43 -1', '45 48 C 19.12 -17.61 C 15.21 -18.20 C 13.42 -13.13 C 11.04 -4.06 C 14.24 -15.19 C 11.75 -10.74 C 18.13 -10.67 C 13.58 -5.10 O 14.61 -16.06 O 12.26 -11.26 O 10.17 -6.32 O 19.53 -9.35 C 16.55 -14.06 C 13.49 -8.74 C 19.37 -12.67 C 15.63 -6.44 C 14.61 -12.75 C 11.24 -8.35 C 15.71 -11.88 C 11.88 -7.12 C 20.98 -15.91 C 17.10 -11.15 O 20.98 -14.51 O 16.86 -16.44 O 14.55 -10.83 O 12.57 -5.94 O 17.78 -7.60 C 15.52 -16.83 C 13.42 -11.72 C 11.24 -5.44 C 15.08 -14.06 C 12.20 -9.35 C 18.13 -12.05 C 14.24 -6.32 C 19.59 -16.29 C 18.22 -8.95 C 19.69 -14.06 C 17.43 -15.19 C 14.67 -9.44 C 16.39 -7.60 C 16.86 -12.67 C 13.30 -7.35 C 17.10 -9.76 C 18.83 -15.19 C 15.97 -8.95 1 35 2 2 28 1 3 29 1 4 30 1 5 31 1 6 32 1 7 33 1 8 34 1 9 28 2 10 29 2 11 30 2 12 36 2 13 31 2 13 38 1 14 32 2 14 39 1 15 33 2 15 37 1 16 34 2 16 40 1 17 19 1 17 31 1 18 20 1 18 32 1 19 41 1 20 42 1 21 23 1 21 35 1 41 22 -2 43 22 -2 37 23 -2 24 28 1 38 24 -2 25 29 1 39 25 -2 26 30 1 42 26 -2 27 36 1 40 27 -2 33 41 1 34 42 1 44 35 -1 36 43 1 37 44 1 38 44 1 39 45 1 40 45 1 45 43 -1', '45 48 C:122 19.12 -17.61 C 15.21 -18.20 C 13.42 -13.13 C 11.04 -4.06 C:15 14.24 -15.19 C:16 11.75 -10.74 C:18 18.13 -10.67 C:17 13.58 -5.10 O 14.61 -16.06 O 12.26 -11.26 O 10.17 -6.32 O 19.53 -9.35 C:126 16.55 -14.06 C:126 13.49 -8.74 C:127 19.37 -12.67 C:129 15.63 -6.44 C:35 14.61 -12.75 C:37 11.24 -8.35 C:26 15.71 -11.88 C:24 11.88 -7.12 C:170 20.98 -15.91 C:33 17.10 -11.15 O 20.98 -14.51 O 16.86 -16.44 O 14.55 -10.83 O 12.57 -5.94 O 17.78 -7.60 C:170 15.52 -16.83 C:170 13.42 -11.72 C:170 11.24 -5.44 C:138 15.08 -14.06 C:138 12.20 -9.35 C:144 18.13 -12.05 C:137 14.24 -6.32 C:137 19.59 -16.29 C:44 18.22 -8.95 C:75 19.69 -14.06 C:73 17.43 -15.19 C:75 14.67 -9.44 C:75 16.39 -7.60 C:34 16.86 -12.67 C:69 13.30 -7.35 C:177 17.10 -9.76 C:50 18.83 -15.19 C:51 15.97 -8.95 1 35 2 2 28 1 3 29 1 4 30 1 5 31 1 6 32 1 7 33 1 8 34 1 9 28 2 10 29 2 11 30 2 12 36 2 13 31 2 13 38 1 14 32 2 14 39 1 15 33 2 15 37 1 16 34 2 16 40 1 17 19 1 17 31 1 18 20 1 18 32 1 19 41 1 20 42 1 21 23 1 21 35 1 41 22 -2 43 22 -2 37 23 -2 24 28 1 38 24 -2 25 29 1 39 25 -2 26 30 1 42 26 -2 27 36 1 40 27 -2 33 41 1 34 42 1 44 35 -1 36 43 1 37 44 1 38 44 1 39 45 1 40 45 1 45 43 -1', 'C36H48O9', 624.38, 'C', 'np03_943_4a', 2304, '', '', '1', 1, NULL, NULL),
(7834, ' (-)-16-(1-Methyl-1-propenyl)eremantholanolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@:7]12[C@H:6]3[CH:5]=[C:4]([CH3:15])[C:3]4=[CH:2][C:1](=O)[C@@:10]([CH3:14])([CH2:9][C@@H:8]1O[C@:8001](O)([C:8002]([CH3:8201])=[CH:8003][CH3:8004])[C@@:11]2([CH3:13])[C:12](=O)O3)O4', '[H][C@]12[C@H]3C=C(C)C4=CC(=O)[C@@](C)(C[C@@H]1O[C@](O)(C(C)=CC)[C@@]2(C)C(=O)O3)O4', '[H][C@:62]12[C@H:82]3[CH:135]=[C:130]([CH3:20])[C:187]4=[CH:105][C:206](=O)[C@@:90]([CH3:21])([CH2:44][C@@H:79]1O[C@:108](O)([C:176]([CH3:22])=[CH:128][CH3:15])[C@@:61]2([CH3:21])[C:176](=O)O3)O4', '27 30 H 15.92 -11.83 C:8004 15.44 -7.75 C:15 13.57 -15.11 C:8201 19.13 -7.37 C:14 12.82 -9.61 C:13 19.30 -10.27 O 10.80 -10.50 O 20.34 -12.15 O 19.01 -8.75 C:8003 16.75 -7.16 C:2 11.87 -12.90 C:5 15.75 -13.87 C:9 14.32 -10.41 O 18.11 -13.29 O 14.08 -12.14 O 16.37 -9.15 C:4 14.32 -13.87 C:8002 17.86 -7.96 C:1 11.87 -11.37 C:12 18.94 -12.14 C:3 13.23 -13.29 C:6 16.75 -12.90 C:8 15.75 -10.41 C:10 13.23 -10.99 C:7 16.75 -11.37 C:11 18.11 -10.99 C:8001 17.74 -9.35 25 1 -2 2 10 1 3 17 1 4 18 1 24 5 -2 26 6 -2 7 19 2 8 20 2 27 9 -1 10 18 2 11 19 1 11 21 2 12 17 2 12 22 1 13 23 1 13 24 1 14 20 1 22 14 -2 15 21 1 15 24 1 23 16 -2 16 27 1 17 21 1 27 18 -2 19 24 1 20 26 1 22 25 1 23 25 1 25 26 1 26 27 1', '27 30 H 15.92 -11.83 C 15.44 -7.75 C 13.57 -15.11 C 19.13 -7.37 C 12.82 -9.61 C 19.30 -10.27 O 10.80 -10.50 O 20.34 -12.15 O 19.01 -8.75 C 16.75 -7.16 C 11.87 -12.90 C 15.75 -13.87 C 14.32 -10.41 O 18.11 -13.29 O 14.08 -12.14 O 16.37 -9.15 C 14.32 -13.87 C 17.86 -7.96 C 11.87 -11.37 C 18.94 -12.14 C 13.23 -13.29 C 16.75 -12.90 C 15.75 -10.41 C 13.23 -10.99 C 16.75 -11.37 C 18.11 -10.99 C 17.74 -9.35 25 1 -2 2 10 1 3 17 1 4 18 1 24 5 -2 26 6 -2 7 19 2 8 20 2 27 9 -1 10 18 2 11 19 1 11 21 2 12 17 2 12 22 1 13 23 1 13 24 1 14 20 1 22 14 -2 15 21 1 15 24 1 23 16 -2 16 27 1 17 21 1 27 18 -2 19 24 1 20 26 1 22 25 1 23 25 1 25 26 1 26 27 1', '27 30 H 15.92 -11.83 C:15 15.44 -7.75 C:20 13.57 -15.11 C:22 19.13 -7.37 C:21 12.82 -9.61 C:21 19.30 -10.27 O 10.80 -10.50 O 20.34 -12.15 O 19.01 -8.75 C:128 16.75 -7.16 C:105 11.87 -12.90 C:135 15.75 -13.87 C:44 14.32 -10.41 O 18.11 -13.29 O 14.08 -12.14 O 16.37 -9.15 C:130 14.32 -13.87 C:176 17.86 -7.96 C:206 11.87 -11.37 C:176 18.94 -12.14 C:187 13.23 -13.29 C:82 16.75 -12.90 C:79 15.75 -10.41 C:90 13.23 -10.99 C:62 16.75 -11.37 C:61 18.11 -10.99 C:108 17.74 -9.35 25 1 -2 2 10 1 3 17 1 4 18 1 24 5 -2 26 6 -2 7 19 2 8 20 2 27 9 -1 10 18 2 11 19 1 11 21 2 12 17 2 12 22 1 13 23 1 13 24 1 14 20 1 22 14 -2 15 21 1 15 24 1 23 16 -2 16 27 1 17 21 1 27 18 -2 19 24 1 20 26 1 22 25 1 23 25 1 25 26 1 26 27 1', 'C20H24O6', 360.218, 'C', 'np99_726_13', 182, '', '', '1', 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
(7848, 'Podachaenin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]45[CH2:6][C@H:7]([C:11](=[CH2:12])[C:13](=O)O[C@H:103]3[C:102](=O)[C:101]2=[C:110]([CH3:114])[CH2:109][CH2:108][C@@:107]1([H])[C:111](=[CH2:113])[C:112](=O)O[C@:106]1([H])[C@@:105]2([H])[C@:104]3([CH3:115])O)[CH2:8][CH2:9][C@@:10]4([CH3:14])[CH2:1][CH2:2][CH2:3][C:4]5=[CH2:15]', '[H][C@@]45C[C@H](C(=C)C(=O)O[C@H]3C(=O)C2=C(C)CC[C@@]1([H])C(=C)C(=O)O[C@]1([H])[C@@]2([H])[C@]3(C)O)CC[C@@]4(C)CCCC5=C', '[H][C@@:50]45[CH2:30][C@H:40]([C:145](=[CH2:124])[C:169](=O)O[C@H:83]3[C:196](=O)[C:127]2=[C:158]([CH3:25])[CH2:39][CH2:25][C@@:50]1([H])[C:138](=[CH2:120])[C:166](=O)O[C@:82]1([H])[C@@:55]2([H])[C@:75]3([CH3:18])O)[CH2:27][CH2:41][C@@:36]4([CH3:16])[CH2:42][CH2:24][CH2:37][C:151]5=[CH2:106]', '40 44 H 9.47 -13.16 H 22.19 -9.84 H 20.13 -12.38 H 19.59 -10.72 C:15 8.21 -14.31 C:12 13.28 -14.29 C:113 24.20 -10.32 C:114 17.72 -7.97 C:14 9.47 -9.19 C:115 19.44 -13.60 O 14.53 -10.71 O 23.90 -13.45 O 15.88 -9.89 O 18.08 -14.03 C:2 6.94 -10.66 C:3 6.94 -12.13 C:109 20.13 -8.37 C:8 12.01 -10.66 C:1 8.21 -9.93 C:108 21.41 -9.06 C:9 10.73 -9.93 C:6 10.73 -12.86 O 15.77 -12.88 O 21.41 -12.80 C:4 8.21 -12.86 C:110 18.79 -8.93 C:11 13.28 -12.86 C:111 22.95 -11.06 C:13 14.53 -12.16 C:112 22.82 -12.49 C:102 17.02 -10.73 C:101 18.38 -10.30 C:7 12.01 -12.13 C:103 17.02 -12.18 C:5 9.47 -12.13 C:107 21.63 -10.48 C:10 9.47 -10.66 C:106 20.67 -11.56 C:105 19.24 -11.47 C:104 18.38 -12.63 35 1 -2 36 2 -2 38 3 -1 39 4 -2 5 25 2 6 27 2 7 28 2 8 26 1 37 9 -1 40 10 -1 11 29 2 12 30 2 13 31 2 40 14 -2 15 16 1 15 19 1 16 25 1 17 20 1 17 26 1 18 21 1 18 33 1 19 37 1 20 36 1 21 37 1 22 33 1 22 35 1 23 29 1 34 23 -1 24 30 1 24 38 1 25 35 1 26 32 2 27 29 1 33 27 -1 28 30 1 28 36 1 31 32 1 31 34 1 32 39 1 34 40 1 35 37 1 36 38 1 38 39 1 39 40 1', '40 44 H 9.47 -13.16 H 22.19 -9.84 H 20.13 -12.38 H 19.59 -10.72 C 8.21 -14.31 C 13.28 -14.29 C 24.20 -10.32 C 17.72 -7.97 C 9.47 -9.19 C 19.44 -13.60 O 14.53 -10.71 O 23.90 -13.45 O 15.88 -9.89 O 18.08 -14.03 C 6.94 -10.66 C 6.94 -12.13 C 20.13 -8.37 C 12.01 -10.66 C 8.21 -9.93 C 21.41 -9.06 C 10.73 -9.93 C 10.73 -12.86 O 15.77 -12.88 O 21.41 -12.80 C 8.21 -12.86 C 18.79 -8.93 C 13.28 -12.86 C 22.95 -11.06 C 14.53 -12.16 C 22.82 -12.49 C 17.02 -10.73 C 18.38 -10.30 C 12.01 -12.13 C 17.02 -12.18 C 9.47 -12.13 C 21.63 -10.48 C 9.47 -10.66 C 20.67 -11.56 C 19.24 -11.47 C 18.38 -12.63 35 1 -2 36 2 -2 38 3 -1 39 4 -2 5 25 2 6 27 2 7 28 2 8 26 1 37 9 -1 40 10 -1 11 29 2 12 30 2 13 31 2 40 14 -2 15 16 1 15 19 1 16 25 1 17 20 1 17 26 1 18 21 1 18 33 1 19 37 1 20 36 1 21 37 1 22 33 1 22 35 1 23 29 1 34 23 -1 24 30 1 24 38 1 25 35 1 26 32 2 27 29 1 33 27 -1 28 30 1 28 36 1 31 32 1 31 34 1 32 39 1 34 40 1 35 37 1 36 38 1 38 39 1 39 40 1', '40 44 H 9.47 -13.16 H 22.19 -9.84 H 20.13 -12.38 H 19.59 -10.72 C:106 8.21 -14.31 C:124 13.28 -14.29 C:120 24.20 -10.32 C:25 17.72 -7.97 C:16 9.47 -9.19 C:18 19.44 -13.60 O 14.53 -10.71 O 23.90 -13.45 O 15.88 -9.89 O 18.08 -14.03 C:24 6.94 -10.66 C:37 6.94 -12.13 C:39 20.13 -8.37 C:27 12.01 -10.66 C:42 8.21 -9.93 C:25 21.41 -9.06 C:41 10.73 -9.93 C:30 10.73 -12.86 O 15.77 -12.88 O 21.41 -12.80 C:151 8.21 -12.86 C:158 18.79 -8.93 C:145 13.28 -12.86 C:138 22.95 -11.06 C:169 14.53 -12.16 C:166 22.82 -12.49 C:196 17.02 -10.73 C:127 18.38 -10.30 C:40 12.01 -12.13 C:83 17.02 -12.18 C:50 9.47 -12.13 C:50 21.63 -10.48 C:36 9.47 -10.66 C:82 20.67 -11.56 C:55 19.24 -11.47 C:75 18.38 -12.63 35 1 -2 36 2 -2 38 3 -1 39 4 -2 5 25 2 6 27 2 7 28 2 8 26 1 37 9 -1 40 10 -1 11 29 2 12 30 2 13 31 2 40 14 -2 15 16 1 15 19 1 16 25 1 17 20 1 17 26 1 18 21 1 18 33 1 19 37 1 20 36 1 21 37 1 22 33 1 22 35 1 23 29 1 34 23 -1 24 30 1 24 38 1 25 35 1 26 32 2 27 29 1 33 27 -1 28 30 1 28 36 1 31 32 1 31 34 1 32 39 1 34 40 1 35 37 1 36 38 1 38 39 1 39 40 1', 'C30H38O6', 494.349, 'C', 'ph49_1085_6', 1720, '', '', '1', 1, NULL, NULL),
(7849, 'Youngiajaponicoside C', '3a,5b,6a-trihydroxy-4a-(b-D-glucopyranosyloxy)-7-megastigmen-9-one', 'Terpenoids', 'Miscellanea', 'Megastigmanes', '[CH3:10][C:9](=O)[CH:8]=[CH:7][C@@:6]2(O)[C@:1]([CH3:12])([CH3:11])[CH2:2][CH2:3][C@@H:4](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@@:5]2([CH3:13])O', 'CC(=O)C=C[C@@]2(O)[C@](C)(C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)O', '[CH3:27][C:198](=O)[CH:133]=[CH:143][C@@:71]2(O)[C@:35]([CH3:25])([CH3:29])[CH2:42][CH2:65][C@@H:83](O[C@@H:105]1O[C@H:78]([CH2:62]O)[C@@H:71](O)[C@H:77](O)[C@H:74]1O)[C@@:69]2([CH3:17])O', '28 29 C:10 21.64 -8.37 C:12 16.26 -6.46 C:11 14.86 -6.46 C:13 18.13 -9.22 O 20.43 -6.27 O 9.51 -12.57 O 13.12 -16.07 O 10.71 -14.67 O 15.57 -14.67 O 17.53 -10.83 O 16.77 -6.97 C:8 19.21 -8.37 C:7 18.00 -7.67 C:106 10.71 -11.86 C:3 14.35 -9.77 C:2 14.35 -8.37 O 13.12 -11.86 O 15.57 -11.86 C:9 20.43 -7.67 C:103 13.12 -14.67 C:104 11.92 -13.97 C:102 14.35 -13.97 C:105 11.92 -12.57 C:101 14.35 -12.57 C:4 15.57 -10.46 C:1 15.57 -7.67 C:5 16.77 -9.77 C:6 16.77 -8.37 1 19 1 26 2 -2 26 3 -1 27 4 -1 5 19 2 6 14 1 20 7 -1 21 8 -2 22 9 -2 27 10 -2 28 11 -1 12 13 2 12 19 1 13 28 1 23 14 -1 15 16 1 15 25 1 16 26 1 17 23 1 17 24 1 24 18 -1 25 18 -2 20 21 1 20 22 1 21 23 1 22 24 1 25 27 1 26 28 1 27 28 1', '28 29 C 21.64 -8.37 C 16.26 -6.46 C 14.86 -6.46 C 18.13 -9.22 O 20.43 -6.27 O 9.51 -12.57 O 13.12 -16.07 O 10.71 -14.67 O 15.57 -14.67 O 17.53 -10.83 O 16.77 -6.97 C 19.21 -8.37 C 18.00 -7.67 C 10.71 -11.86 C 14.35 -9.77 C 14.35 -8.37 O 13.12 -11.86 O 15.57 -11.86 C 20.43 -7.67 C 13.12 -14.67 C 11.92 -13.97 C 14.35 -13.97 C 11.92 -12.57 C 14.35 -12.57 C 15.57 -10.46 C 15.57 -7.67 C 16.77 -9.77 C 16.77 -8.37 1 19 1 26 2 -2 26 3 -1 27 4 -1 5 19 2 6 14 1 20 7 -1 21 8 -2 22 9 -2 27 10 -2 28 11 -1 12 13 2 12 19 1 13 28 1 23 14 -1 15 16 1 15 25 1 16 26 1 17 23 1 17 24 1 24 18 -1 25 18 -2 20 21 1 20 22 1 21 23 1 22 24 1 25 27 1 26 28 1 27 28 1', '28 29 C:27 21.64 -8.37 C:25 16.26 -6.46 C:29 14.86 -6.46 C:17 18.13 -9.22 O 20.43 -6.27 O 9.51 -12.57 O 13.12 -16.07 O 10.71 -14.67 O 15.57 -14.67 O 17.53 -10.83 O 16.77 -6.97 C:133 19.21 -8.37 C:143 18.00 -7.67 C:62 10.71 -11.86 C:65 14.35 -9.77 C:42 14.35 -8.37 O 13.12 -11.86 O 15.57 -11.86 C:198 20.43 -7.67 C:77 13.12 -14.67 C:71 11.92 -13.97 C:74 14.35 -13.97 C:78 11.92 -12.57 C:105 14.35 -12.57 C:83 15.57 -10.46 C:35 15.57 -7.67 C:69 16.77 -9.77 C:71 16.77 -8.37 1 19 1 26 2 -2 26 3 -1 27 4 -1 5 19 2 6 14 1 20 7 -1 21 8 -2 22 9 -2 27 10 -2 28 11 -1 12 13 2 12 19 1 13 28 1 23 14 -1 15 16 1 15 25 1 16 26 1 17 23 1 17 24 1 24 18 -1 25 18 -2 20 21 1 20 22 1 21 23 1 22 24 1 25 27 1 26 28 1 27 28 1', 'C19H32O9', 404.198, 'M', 'pm06_143_4', 383, '', '', '1', 1, NULL, NULL),
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(7863, '', '1-{(2R*,3S*)-3-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-[1-(hydroxymethyl)vinyl]-1-benzofuran-5-yl}ethanone', 'Benzofuranoids', '', '', '[CH2:2002]=[C:2001]([CH2:2003]O)[C@H:2]2O[c:8]1[cH:7][cH:6][c:5]([C:5001]([CH3:5002])=O)[cH:4][c:9]1[C@@H:3]2O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O', 'C=C(CO)[C@H]2Oc1ccc(C(C)=O)cc1[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O', '[CH2:114]=[C:145]([CH2:64]O)[C@H:89]2O[c:166]1[cH:111][cH:133][c:132]([C:200]([CH3:27])=O)[cH:131][c:129]1[C@@H:81]2O[C@@H:105]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]3O', '28 30 C:2002 20.15 -15.27 C:5002 11.04 -13.36 O 12.25 -11.27 O 19.45 -11.64 O 12.14 -9.02 O 16.69 -6.85 O 13.95 -7.41 O 18.55 -8.93 C:6 13.46 -14.76 C:7 14.68 -15.47 C:4 14.68 -12.66 C:2003 20.15 -12.85 C:106 13.07 -10.07 O 17.23 -15.19 O 15.37 -10.84 O 17.67 -11.60 C:5001 12.25 -12.67 C:2001 19.45 -14.06 C:5 13.46 -13.36 C:8 15.90 -14.76 C:9 15.90 -13.36 C:103 16.25 -8.18 C:104 14.88 -8.46 C:102 17.18 -9.22 C:105 14.44 -9.79 C:101 16.74 -10.55 C:2 18.05 -14.06 C:3 17.23 -12.93 1 18 2 2 17 1 3 17 2 4 12 1 5 13 1 22 6 -2 23 7 -1 24 8 -1 9 10 2 9 19 1 10 20 1 11 19 2 11 21 1 12 18 1 25 13 -2 14 20 1 14 27 1 15 25 1 15 26 1 26 16 -2 28 16 -2 17 19 1 27 18 -1 20 21 2 21 28 1 22 23 1 22 24 1 23 25 1 24 26 1 27 28 1', '28 30 C 20.15 -15.27 C 11.04 -13.36 O 12.25 -11.27 O 19.45 -11.64 O 12.14 -9.02 O 16.69 -6.85 O 13.95 -7.41 O 18.55 -8.93 C 13.46 -14.76 C 14.68 -15.47 C 14.68 -12.66 C 20.15 -12.85 C 13.07 -10.07 O 17.23 -15.19 O 15.37 -10.84 O 17.67 -11.60 C 12.25 -12.67 C 19.45 -14.06 C 13.46 -13.36 C 15.90 -14.76 C 15.90 -13.36 C 16.25 -8.18 C 14.88 -8.46 C 17.18 -9.22 C 14.44 -9.79 C 16.74 -10.55 C 18.05 -14.06 C 17.23 -12.93 1 18 2 2 17 1 3 17 2 4 12 1 5 13 1 22 6 -2 23 7 -1 24 8 -1 9 10 2 9 19 1 10 20 1 11 19 2 11 21 1 12 18 1 25 13 -2 14 20 1 14 27 1 15 25 1 15 26 1 26 16 -2 28 16 -2 17 19 1 27 18 -1 20 21 2 21 28 1 22 23 1 22 24 1 23 25 1 24 26 1 27 28 1', '28 30 C:114 20.15 -15.27 C:27 11.04 -13.36 O 12.25 -11.27 O 19.45 -11.64 O 12.14 -9.02 O 16.69 -6.85 O 13.95 -7.41 O 18.55 -8.93 C:133 13.46 -14.76 C:111 14.68 -15.47 C:131 14.68 -12.66 C:64 20.15 -12.85 C:63 13.07 -10.07 O 17.23 -15.19 O 15.37 -10.84 O 17.67 -11.60 C:200 12.25 -12.67 C:145 19.45 -14.06 C:132 13.46 -13.36 C:166 15.90 -14.76 C:129 15.90 -13.36 C:78 16.25 -8.18 C:72 14.88 -8.46 C:75 17.18 -9.22 C:78 14.44 -9.79 C:105 16.74 -10.55 C:89 18.05 -14.06 C:81 17.23 -12.93 1 18 2 2 17 1 3 17 2 4 12 1 5 13 1 22 6 -2 23 7 -1 24 8 -1 9 10 2 9 19 1 10 20 1 11 19 2 11 21 1 12 18 1 25 13 -2 14 20 1 14 27 1 15 25 1 15 26 1 26 16 -2 28 16 -2 17 19 1 27 18 -1 20 21 2 21 28 1 22 23 1 22 24 1 23 25 1 24 26 1 27 28 1', 'C19H24O9', 396.198, 'M', 'hca_03_733_1', 527, '', '', '1', 1, NULL, NULL),
(7864, '', '[(2S,3R,4R)-4-(3,4-dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)tetrahydrofuran-3-yl]methyl (2E)-2-methylbut-2-enoate', 'Lignans', 'Lignans', '', '[CH3:4001]O[c:4]3[cH:5][cH:6][c:1]([CH2:7][C@H:8]2[CH2:9]O[C@H:107]([c:101]1[cH:106][cH:105][c:104](O[CH3:104001])[c:103](O[CH3:103001])[cH:102]1)[C@H:108]2[CH2:109]O[C:109001](=O)[CH:109002]=[C:109003]([CH3:109004])[CH3:109005])[cH:2][c:3]3O[CH3:3001]', 'COc3ccc(C[C@H]2CO[C@H](c1ccc(OC)c(OC)c1)[C@H]2COC(=O)C=C(C)C)cc3OC', '[CH3:56]O[c:148]3[cH:111][cH:121][c:133]([CH2:33][C@H:43]2[CH2:73]O[C@H:83]([c:135]1[cH:118][cH:112][c:149](O[CH3:56])[c:149](O[CH3:56])[cH:109]1)[C@H:49]2[CH2:62]O[C:168](=O)[CH:128]=[C:139]([CH3:21])[CH3:16])[cH:112][c:149]3O[CH3:56]', '34 36 C:4001 9.21 -8.82 C:104001 18.62 -15.61 C:3001 9.21 -7.41 C:103001 21.88 -13.80 C:109004 11.60 -13.02 C:109005 12.82 -15.12 O 12.82 -10.92 C:109002 14.03 -13.02 C:6 14.03 -8.82 C:106 17.30 -11.62 C:5 12.82 -9.53 C:105 17.73 -12.95 C:2 12.82 -6.72 C:102 19.62 -10.87 C:9 17.80 -6.99 C:109 15.24 -9.53 C:7 15.24 -6.72 O 10.42 -9.52 O 19.56 -14.56 O 10.42 -6.72 O 21.43 -12.48 O 15.24 -10.92 O 18.62 -8.12 C:109003 12.82 -13.72 C:109001 14.03 -11.62 C:1 14.03 -7.42 C:101 18.24 -10.58 C:4 11.60 -8.82 C:104 19.11 -13.24 C:3 11.60 -7.42 C:103 20.06 -12.20 C:8 16.46 -7.42 C:107 17.80 -9.25 C:108 16.46 -8.82 1 18 1 2 19 1 3 20 1 4 21 1 5 24 1 6 24 1 7 25 2 8 24 2 8 25 1 9 11 2 9 26 1 10 12 2 10 27 1 11 28 1 12 29 1 13 26 2 13 30 1 14 27 2 14 31 1 15 23 1 15 32 1 16 22 1 34 16 -1 17 26 1 32 17 -1 18 28 1 19 29 1 20 30 1 21 31 1 22 25 1 23 33 1 33 27 -2 28 30 2 29 31 2 32 34 1 33 34 1', '34 36 C 9.21 -8.82 C 18.62 -15.61 C 9.21 -7.41 C 21.88 -13.80 C 11.60 -13.02 C 12.82 -15.12 O 12.82 -10.92 C 14.03 -13.02 C 14.03 -8.82 C 17.30 -11.62 C 12.82 -9.53 C 17.73 -12.95 C 12.82 -6.72 C 19.62 -10.87 C 17.80 -6.99 C 15.24 -9.53 C 15.24 -6.72 O 10.42 -9.52 O 19.56 -14.56 O 10.42 -6.72 O 21.43 -12.48 O 15.24 -10.92 O 18.62 -8.12 C 12.82 -13.72 C 14.03 -11.62 C 14.03 -7.42 C 18.24 -10.58 C 11.60 -8.82 C 19.11 -13.24 C 11.60 -7.42 C 20.06 -12.20 C 16.46 -7.42 C 17.80 -9.25 C 16.46 -8.82 1 18 1 2 19 1 3 20 1 4 21 1 5 24 1 6 24 1 7 25 2 8 24 2 8 25 1 9 11 2 9 26 1 10 12 2 10 27 1 11 28 1 12 29 1 13 26 2 13 30 1 14 27 2 14 31 1 15 23 1 15 32 1 16 22 1 34 16 -1 17 26 1 32 17 -1 18 28 1 19 29 1 20 30 1 21 31 1 22 25 1 23 33 1 33 27 -2 28 30 2 29 31 2 32 34 1 33 34 1', '34 36 C:56 9.21 -8.82 C:56 18.62 -15.61 C:56 9.21 -7.41 C:56 21.88 -13.80 C:21 11.60 -13.02 C:16 12.82 -15.12 O 12.82 -10.92 C:128 14.03 -13.02 C:121 14.03 -8.82 C:118 17.30 -11.62 C:111 12.82 -9.53 C:112 17.73 -12.95 C:112 12.82 -6.72 C:109 19.62 -10.87 C:73 17.80 -6.99 C:62 15.24 -9.53 C:33 15.24 -6.72 O 10.42 -9.52 O 19.56 -14.56 O 10.42 -6.72 O 21.43 -12.48 O 15.24 -10.92 O 18.62 -8.12 C:139 12.82 -13.72 C:168 14.03 -11.62 C:133 14.03 -7.42 C:135 18.24 -10.58 C:148 11.60 -8.82 C:149 19.11 -13.24 C:149 11.60 -7.42 C:149 20.06 -12.20 C:43 16.46 -7.42 C:83 17.80 -9.25 C:49 16.46 -8.82 1 18 1 2 19 1 3 20 1 4 21 1 5 24 1 6 24 1 7 25 2 8 24 2 8 25 1 9 11 2 9 26 1 10 12 2 10 27 1 11 28 1 12 29 1 13 26 2 13 30 1 14 27 2 14 31 1 15 23 1 15 32 1 16 22 1 34 16 -1 17 26 1 32 17 -1 18 28 1 19 29 1 20 30 1 21 31 1 22 25 1 23 33 1 33 27 -2 28 30 2 29 31 2 32 34 1 33 34 1', 'C27H34O7', 470.285, 'C', 'hca_03_733_2', 527, '', '', '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
(7867, '', '5-epi-Smenospongorine', 'Terpenoids', 'Merosesquiterpenoids', 'Friedodrimanes', '[H][C@@:10]12[CH2:1][CH2:2][CH2:3][C:4](=[CH2:11])[C@:5]1([CH3:12])[CH2:6][CH2:7][C@H:8]([CH3:13])[C@@:9]2([CH3:14])[CH2:15][c:101]3[c:102](O)[c:103](=O)[cH:104][c:105](N[CH2:105002][CH:105003]([CH3:105005])[CH3:105004])[c:106]3=O', '[H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)Cc3c(O)c(=O)cc(NCC(C)C)c3=O', '[H][C@@:48]12[CH2:23][CH2:25][CH2:33][C:154](=[CH2:106])[C@:40]1([CH3:33])[CH2:38][CH2:28][C@H:39]([CH3:19])[C@@:44]2([CH3:18])[CH2:32][c:114]3[c:157](O)[c:178](=O)[cH:92][c:151](N[CH2:50][CH:28]([CH3:20])[CH3:20])[c:183]3=O', '30 32 H 13.14 -12.22 C:11 11.94 -16.78 C:105005 19.24 -7.65 C:105004 20.43 -5.55 C:13 16.72 -12.63 C:12 13.14 -16.08 C:14 15.54 -11.95 O 19.24 -10.48 O 14.34 -7.66 O 16.79 -11.58 C:104 18.01 -8.36 C:2 10.75 -13.31 C:3 10.75 -14.69 C:7 15.54 -14.69 C:1 11.94 -12.63 C:6 14.34 -15.39 C:105002 18.01 -5.55 C:15 14.34 -10.48 N 16.79 -6.25 C:4 11.94 -15.39 C:105 16.79 -7.66 C:102 16.79 -10.48 C:101 15.54 -9.77 C:103 18.01 -9.77 C:106 15.54 -8.36 C:105003 19.24 -6.25 C:8 15.54 -13.31 C:10 13.14 -13.31 C:5 13.14 -14.69 C:9 14.34 -12.63 28 1 -2 2 20 2 3 26 1 4 26 1 27 5 -1 29 6 -2 30 7 -1 8 24 2 9 25 2 10 22 1 11 21 2 11 24 1 12 13 1 12 15 1 13 20 1 14 16 1 14 27 1 15 28 1 16 29 1 17 19 1 17 26 1 18 23 1 18 30 1 19 21 1 20 29 1 21 25 1 22 23 2 22 24 1 23 25 1 27 30 1 28 29 1 28 30 1', '30 32 H 13.14 -12.22 C 11.94 -16.78 C 19.24 -7.65 C 20.43 -5.55 C 16.72 -12.63 C 13.14 -16.08 C 15.54 -11.95 O 19.24 -10.48 O 14.34 -7.66 O 16.79 -11.58 C 18.01 -8.36 C 10.75 -13.31 C 10.75 -14.69 C 15.54 -14.69 C 11.94 -12.63 C 14.34 -15.39 C 18.01 -5.55 C 14.34 -10.48 N 16.79 -6.25 C 11.94 -15.39 C 16.79 -7.66 C 16.79 -10.48 C 15.54 -9.77 C 18.01 -9.77 C 15.54 -8.36 C 19.24 -6.25 C 15.54 -13.31 C 13.14 -13.31 C 13.14 -14.69 C 14.34 -12.63 28 1 -2 2 20 2 3 26 1 4 26 1 27 5 -1 29 6 -2 30 7 -1 8 24 2 9 25 2 10 22 1 11 21 2 11 24 1 12 13 1 12 15 1 13 20 1 14 16 1 14 27 1 15 28 1 16 29 1 17 19 1 17 26 1 18 23 1 18 30 1 19 21 1 20 29 1 21 25 1 22 23 2 22 24 1 23 25 1 27 30 1 28 29 1 28 30 1', '30 32 H 13.14 -12.22 C:106 11.94 -16.78 C:20 19.24 -7.65 C:20 20.43 -5.55 C:19 16.72 -12.63 C:33 13.14 -16.08 C:18 15.54 -11.95 O 19.24 -10.48 O 14.34 -7.66 O 16.79 -11.58 C:92 18.01 -8.36 C:25 10.75 -13.31 C:33 10.75 -14.69 C:28 15.54 -14.69 C:23 11.94 -12.63 C:38 14.34 -15.39 C:50 18.01 -5.55 C:32 14.34 -10.48 N 16.79 -6.25 C:154 11.94 -15.39 C:151 16.79 -7.66 C:157 16.79 -10.48 C:114 15.54 -9.77 C:178 18.01 -9.77 C:183 15.54 -8.36 C:28 19.24 -6.25 C:39 15.54 -13.31 C:48 13.14 -13.31 C:40 13.14 -14.69 C:44 14.34 -12.63 28 1 -2 2 20 2 3 26 1 4 26 1 27 5 -1 29 6 -2 30 7 -1 8 24 2 9 25 2 10 22 1 11 21 2 11 24 1 12 13 1 12 15 1 13 20 1 14 16 1 14 27 1 15 28 1 16 29 1 17 19 1 17 26 1 18 23 1 18 30 1 19 21 1 20 29 1 21 25 1 22 23 2 22 24 1 23 25 1 27 30 1 28 29 1 28 30 1', 'C25H37NO3', 399.28, 'C', 'cpb04_935_1', 120, '', '', '1', 1, NULL, NULL),
(7868, '', 'Albaconal', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]([CH3:12])(O)[C@H:9]([CH2:11][CH:101]1[C:102](O)=[CH:103][C:104]([CH3:104001])=[CH:105][CH:106]1O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@@]23CC[C@@](C)(O)[C@H](CC1C(O)=CC(C)=CC1O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:57]23[CH2:21][CH2:45][C@@:76]([CH3:24])(O)[C@H:62]([CH2:19][CH:114]1[C:157](O)=[CH:109][C:137]([CH3:21])=[CH:109][CH:157]1O)[C@@:40]2([CH3:15])[CH2:39][CH2:19][CH2:43][C@:30]3([CH3:34])[CH3:22]', '26 28 H 13.72 -14.62 C:104001 19.82 -6.83 C:13 13.22 -15.48 C:14 11.64 -15.33 C:12 17.28 -11.45 C:15 13.72 -10.81 O 14.94 -6.81 O 17.37 -10.84 O 17.55 -12.87 C:103 17.37 -6.82 C:105 18.60 -8.95 C:2 11.31 -12.23 C:3 11.31 -13.61 C:1 12.54 -11.50 C:7 16.18 -13.61 C:6 14.94 -14.30 C:11 14.94 -9.63 C:104 18.60 -7.53 C:102 16.18 -7.53 C:106 17.37 -9.63 C:101 16.18 -8.95 C:9 14.94 -11.50 C:4 12.54 -14.30 C:8 16.18 -12.23 C:5 13.72 -13.61 C:10 13.72 -12.23 25 1 -2 2 18 1 23 3 -2 23 4 -1 24 5 -1 26 6 -1 7 19 1 8 20 1 24 9 -2 10 18 1 10 19 2 11 18 2 11 20 1 12 13 1 12 14 1 13 23 1 14 26 1 15 16 1 15 24 1 16 25 1 17 21 1 22 17 -1 19 21 1 20 21 1 22 24 1 22 26 1 23 25 1 25 26 1', '26 28 H 13.72 -14.62 C 19.82 -6.83 C 13.22 -15.48 C 11.64 -15.33 C 17.28 -11.45 C 13.72 -10.81 O 14.94 -6.81 O 17.37 -10.84 O 17.55 -12.87 C 17.37 -6.82 C 18.60 -8.95 C 11.31 -12.23 C 11.31 -13.61 C 12.54 -11.50 C 16.18 -13.61 C 14.94 -14.30 C 14.94 -9.63 C 18.60 -7.53 C 16.18 -7.53 C 17.37 -9.63 C 16.18 -8.95 C 14.94 -11.50 C 12.54 -14.30 C 16.18 -12.23 C 13.72 -13.61 C 13.72 -12.23 25 1 -2 2 18 1 23 3 -2 23 4 -1 24 5 -1 26 6 -1 7 19 1 8 20 1 24 9 -2 10 18 1 10 19 2 11 18 2 11 20 1 12 13 1 12 14 1 13 23 1 14 26 1 15 16 1 15 24 1 16 25 1 17 21 1 22 17 -1 19 21 1 20 21 1 22 24 1 22 26 1 23 25 1 25 26 1', '26 28 H 13.72 -14.62 C:21 19.82 -6.83 C:34 13.22 -15.48 C:22 11.64 -15.33 C:24 17.28 -11.45 C:15 13.72 -10.81 O 14.94 -6.81 O 17.37 -10.84 O 17.55 -12.87 C:109 17.37 -6.82 C:109 18.60 -8.95 C:19 11.31 -12.23 C:43 11.31 -13.61 C:39 12.54 -11.50 C:45 16.18 -13.61 C:21 14.94 -14.30 C:19 14.94 -9.63 C:137 18.60 -7.53 C:157 16.18 -7.53 C:157 17.37 -9.63 C:114 16.18 -8.95 C:62 14.94 -11.50 C:30 12.54 -14.30 C:76 16.18 -12.23 C:57 13.72 -13.61 C:40 13.72 -12.23 25 1 -2 2 18 1 23 3 -2 23 4 -1 24 5 -1 26 6 -1 7 19 1 8 20 1 24 9 -2 10 18 1 10 19 2 11 18 2 11 20 1 12 13 1 12 14 1 13 23 1 14 26 1 15 16 1 15 24 1 16 25 1 17 21 1 22 17 -1 19 21 1 20 21 1 22 24 1 22 26 1 23 25 1 25 26 1', 'C22H36O3', 348.242, 'A', 'hca01_259_1', 526, '', '', '1', 1, NULL, NULL),
(7869, '', '', 'Terpenoids', 'Merosesquiterpenoids', 'Miscellanea', '[CH3:105001]O[c:105]3[cH:104][c:103](O[CH3:103001])[c:102](O[CH3:102001])[c:101]([CH2:11][C@@:9]1([CH3:12])[C:10]2=[C:5]([CH2:6][CH2:7][C@@H:8]1[CH3:13])[C@@:4]([CH3:14])([CH3:15])[CH2:3][CH2:2][CH2:1]2)[c:106]3O[CH3:106001]', 'COc3cc(OC)c(OC)c(C[C@@]1(C)C2=C(CC[C@@H]1C)[C@@](C)(C)CCC2)c3OC', '[CH3:56]O[c:149]3[cH:97][c:149](O[CH3:56])[c:142](O[CH3:60])[c:128]([CH2:33][C@@:44]1([CH3:20])[C:132]2=[C:134]([CH2:26][CH2:21][C@@H:33]1[CH3:15])[C@@:33]([CH3:29])([CH3:28])[CH2:40][CH2:20][CH2:26]2)[c:142]3O[CH3:60]', '29 31 C:105001 18.07 -5.67 C:103001 20.46 -9.75 C:106001 14.44 -6.35 C:102001 18.07 -12.59 C:13 16.43 -12.76 C:14 12.57 -16.61 C:15 11.04 -16.47 C:12 15.42 -12.00 C:104 18.07 -8.44 C:2 10.70 -13.44 C:1 11.89 -12.71 C:6 14.23 -15.46 C:7 15.47 -14.77 C:3 10.70 -14.77 C:11 14.23 -10.70 O 16.86 -6.37 O 19.27 -10.49 O 14.44 -7.75 O 16.86 -11.79 C:5 13.04 -14.77 C:10 13.04 -13.44 C:105 16.86 -7.75 C:103 18.07 -9.81 C:101 15.64 -9.80 C:106 15.64 -8.44 C:102 16.86 -10.51 C:8 15.47 -13.44 C:4 11.89 -15.46 C:9 14.23 -12.71 1 16 1 2 17 1 3 18 1 4 19 1 27 5 -1 28 6 -2 28 7 -1 29 8 -1 9 22 2 9 23 1 10 11 1 10 14 1 11 21 1 12 13 1 12 20 1 13 27 1 14 28 1 15 24 1 15 29 1 16 22 1 17 23 1 18 25 1 19 26 1 20 21 2 20 28 1 21 29 1 22 25 1 23 26 2 24 25 2 24 26 1 27 29 1', '29 31 C 18.07 -5.67 C 20.46 -9.75 C 14.44 -6.35 C 18.07 -12.59 C 16.43 -12.76 C 12.57 -16.61 C 11.04 -16.47 C 15.42 -12.00 C 18.07 -8.44 C 10.70 -13.44 C 11.89 -12.71 C 14.23 -15.46 C 15.47 -14.77 C 10.70 -14.77 C 14.23 -10.70 O 16.86 -6.37 O 19.27 -10.49 O 14.44 -7.75 O 16.86 -11.79 C 13.04 -14.77 C 13.04 -13.44 C 16.86 -7.75 C 18.07 -9.81 C 15.64 -9.80 C 15.64 -8.44 C 16.86 -10.51 C 15.47 -13.44 C 11.89 -15.46 C 14.23 -12.71 1 16 1 2 17 1 3 18 1 4 19 1 27 5 -1 28 6 -2 28 7 -1 29 8 -1 9 22 2 9 23 1 10 11 1 10 14 1 11 21 1 12 13 1 12 20 1 13 27 1 14 28 1 15 24 1 15 29 1 16 22 1 17 23 1 18 25 1 19 26 1 20 21 2 20 28 1 21 29 1 22 25 1 23 26 2 24 25 2 24 26 1 27 29 1', '29 31 C:56 18.07 -5.67 C:56 20.46 -9.75 C:60 14.44 -6.35 C:60 18.07 -12.59 C:15 16.43 -12.76 C:29 12.57 -16.61 C:28 11.04 -16.47 C:20 15.42 -12.00 C:97 18.07 -8.44 C:20 10.70 -13.44 C:26 11.89 -12.71 C:26 14.23 -15.46 C:21 15.47 -14.77 C:40 10.70 -14.77 C:33 14.23 -10.70 O 16.86 -6.37 O 19.27 -10.49 O 14.44 -7.75 O 16.86 -11.79 C:134 13.04 -14.77 C:132 13.04 -13.44 C:149 16.86 -7.75 C:149 18.07 -9.81 C:128 15.64 -9.80 C:142 15.64 -8.44 C:142 16.86 -10.51 C:33 15.47 -13.44 C:33 11.89 -15.46 C:44 14.23 -12.71 1 16 1 2 17 1 3 18 1 4 19 1 27 5 -1 28 6 -2 28 7 -1 29 8 -1 9 22 2 9 23 1 10 11 1 10 14 1 11 21 1 12 13 1 12 20 1 13 27 1 14 28 1 15 24 1 15 29 1 16 22 1 17 23 1 18 25 1 19 26 1 20 21 2 20 28 1 21 29 1 22 25 1 23 26 2 24 25 2 24 26 1 27 29 1', 'C25H38O4', 402.265, 'C', 'hca03_2009_15', 203, '', '', '1', 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
(7886, '(E)-Betulin-3b-p-coumarate', '', 'Terpenoids', 'Triterpenoids', 'Lupanes', '[H][C@@:5]46[CH2:6][CH2:7][C@:8]3([CH3:26])[C@:9]([H])([CH2:11][CH2:12][C@:13]2([H])[C@@:18]1([H])[C@H:19]([C:20](=[CH2:29])[CH3:30])[CH2:21][CH2:22][C@:17]1([CH2:28]O)[CH2:16][CH2:15][C@:14]23[CH3:27])[C@@:10]4([CH3:25])[CH2:1][CH2:2][C@H:3](O[C:3001](=O)[CH:3002]=[CH:3003][c:3004]5[cH:3009][cH:3008][cH:3007][cH:3006][cH:3005]5)[C@@:4]6([CH3:24])[CH3:23]', '[H][C@@]46CC[C@]3(C)[C@]([H])(CC[C@]2([H])[C@@]1([H])[C@H](C(=C)C)CC[C@]1(CO)CC[C@]23C)[C@@]4(C)CC[C@H](OC(=O)C=Cc5ccccc5)[C@@]6(C)C', '[H][C@@:56]46[CH2:18][CH2:34][C@:41]3([CH3:16])[C@:51]([H])([CH2:21][CH2:25][C@:37]2([H])[C@@:49]1([H])[C@H:48]([C:151](=[CH2:110])[CH3:19])[CH2:30][CH2:34][C@:48]1([CH2:61]O)[CH2:29][CH2:27][C@:43]23[CH3:15])[C@@:37]4([CH3:16])[CH2:39][CH2:24][C@H:81](O[C:168](=O)[CH:116]=[CH:145][c:127]5[cH:130][cH:116][cH:159][cH:116][cH:130]5)[C@@:38]6([CH3:17])[CH3:28]', '46 51 H 16.71 -14.75 H 20.47 -9.17 H 17.97 -12.58 H 21.74 -10.52 C:29 21.53 -5.67 C:30 19.68 -7.35 C:24 14.50 -15.80 C:23 16.29 -15.74 C:25 16.71 -10.93 C:27 20.47 -13.09 C:26 19.21 -10.93 O 11.80 -12.40 O 25.44 -10.20 C:3002 10.59 -14.50 C:3003 9.37 -13.80 C:3007 5.75 -15.89 C:3008 5.75 -14.50 C:3006 6.95 -16.59 C:3009 6.95 -13.80 C:3005 8.16 -15.89 C:28 24.23 -10.93 C:2 14.21 -12.40 C:21 23.48 -7.94 C:12 19.21 -9.47 C:11 17.97 -10.20 C:6 17.97 -14.55 C:1 15.46 -11.64 C:22 24.06 -9.23 C:7 19.21 -13.80 C:15 21.74 -12.36 C:16 23.02 -11.64 O 13.00 -14.50 C:20 21.09 -7.05 C:3001 11.80 -13.80 C:3004 8.16 -14.50 C:3 14.21 -13.80 C:19 22.05 -8.10 C:4 15.46 -14.55 C:5 16.71 -13.80 C:13 20.47 -10.20 C:9 17.97 -11.64 C:18 21.74 -9.47 C:10 16.71 -12.40 C:14 20.47 -11.64 C:8 19.21 -12.40 C:17 23.02 -10.20 39 1 -2 40 2 -1 41 3 -2 42 4 -2 5 33 2 6 33 1 38 7 -1 38 8 -2 43 9 -1 44 10 -2 45 11 -1 12 34 2 13 21 1 14 15 2 14 34 1 15 35 1 16 17 1 16 18 2 17 19 2 18 20 1 19 35 1 20 35 2 46 21 -1 22 27 1 22 36 1 23 28 1 23 37 1 24 25 1 24 40 1 25 41 1 26 29 1 26 39 1 27 43 1 28 46 1 29 45 1 30 31 1 30 44 1 31 46 1 32 34 1 36 32 -1 37 33 -2 36 38 1 37 42 1 38 39 1 39 43 1 40 42 1 40 44 1 41 43 1 41 45 1 42 46 1 44 45 1', '46 51 H 16.71 -14.75 H 20.47 -9.17 H 17.97 -12.58 H 21.74 -10.52 C 21.53 -5.67 C 19.68 -7.35 C 14.50 -15.80 C 16.29 -15.74 C 16.71 -10.93 C 20.47 -13.09 C 19.21 -10.93 O 11.80 -12.40 O 25.44 -10.20 C 10.59 -14.50 C 9.37 -13.80 C 5.75 -15.89 C 5.75 -14.50 C 6.95 -16.59 C 6.95 -13.80 C 8.16 -15.89 C 24.23 -10.93 C 14.21 -12.40 C 23.48 -7.94 C 19.21 -9.47 C 17.97 -10.20 C 17.97 -14.55 C 15.46 -11.64 C 24.06 -9.23 C 19.21 -13.80 C 21.74 -12.36 C 23.02 -11.64 O 13.00 -14.50 C 21.09 -7.05 C 11.80 -13.80 C 8.16 -14.50 C 14.21 -13.80 C 22.05 -8.10 C 15.46 -14.55 C 16.71 -13.80 C 20.47 -10.20 C 17.97 -11.64 C 21.74 -9.47 C 16.71 -12.40 C 20.47 -11.64 C 19.21 -12.40 C 23.02 -10.20 39 1 -2 40 2 -1 41 3 -2 42 4 -2 5 33 2 6 33 1 38 7 -1 38 8 -2 43 9 -1 44 10 -2 45 11 -1 12 34 2 13 21 1 14 15 2 14 34 1 15 35 1 16 17 1 16 18 2 17 19 2 18 20 1 19 35 1 20 35 2 46 21 -1 22 27 1 22 36 1 23 28 1 23 37 1 24 25 1 24 40 1 25 41 1 26 29 1 26 39 1 27 43 1 28 46 1 29 45 1 30 31 1 30 44 1 31 46 1 32 34 1 36 32 -1 37 33 -2 36 38 1 37 42 1 38 39 1 39 43 1 40 42 1 40 44 1 41 43 1 41 45 1 42 46 1 44 45 1', '46 51 H 16.71 -14.75 H 20.47 -9.17 H 17.97 -12.58 H 21.74 -10.52 C:110 21.53 -5.67 C:19 19.68 -7.35 C:17 14.50 -15.80 C:28 16.29 -15.74 C:16 16.71 -10.93 C:15 20.47 -13.09 C:16 19.21 -10.93 O 11.80 -12.40 O 25.44 -10.20 C:116 10.59 -14.50 C:145 9.37 -13.80 C:159 5.75 -15.89 C:116 5.75 -14.50 C:116 6.95 -16.59 C:130 6.95 -13.80 C:130 8.16 -15.89 C:61 24.23 -10.93 C:24 14.21 -12.40 C:30 23.48 -7.94 C:25 19.21 -9.47 C:21 17.97 -10.20 C:18 17.97 -14.55 C:39 15.46 -11.64 C:34 24.06 -9.23 C:34 19.21 -13.80 C:27 21.74 -12.36 C:29 23.02 -11.64 O 13.00 -14.50 C:151 21.09 -7.05 C:168 11.80 -13.80 C:127 8.16 -14.50 C:81 14.21 -13.80 C:48 22.05 -8.10 C:38 15.46 -14.55 C:56 16.71 -13.80 C:37 20.47 -10.20 C:51 17.97 -11.64 C:49 21.74 -9.47 C:37 16.71 -12.40 C:43 20.47 -11.64 C:41 19.21 -12.40 C:48 23.02 -10.20 39 1 -2 40 2 -1 41 3 -2 42 4 -2 5 33 2 6 33 1 38 7 -1 38 8 -2 43 9 -1 44 10 -2 45 11 -1 12 34 2 13 21 1 14 15 2 14 34 1 15 35 1 16 17 1 16 18 2 17 19 2 18 20 1 19 35 1 20 35 2 46 21 -1 22 27 1 22 36 1 23 28 1 23 37 1 24 25 1 24 40 1 25 41 1 26 29 1 26 39 1 27 43 1 28 46 1 29 45 1 30 31 1 30 44 1 31 46 1 32 34 1 36 32 -1 37 33 -2 36 38 1 37 42 1 38 39 1 39 43 1 40 42 1 40 44 1 41 43 1 41 45 1 42 46 1 44 45 1', 'C39H56O3', 572.447, 'C', 'np92_851_20', 1859, '', '', '1', 1, NULL, NULL),
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(7901, '(9S*,10R*)-9,10,5í-Triacetoxy-ll-hydroxyumbelliprenin ', '', 'Terpenoids', 'Merosesquiterpenoids', 'Farnesanes', '[CH3:105002][C:105001](=O)O[c:105]1[cH:106][c:107](O[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5][CH:6]=[C:7]([CH3:14])[CH2:8][C@H:9](O[C:9001]([CH3:9002])=O)[C@H:10](O[C:10001]([CH3:10002])=O)[C:11]([CH3:12])([CH3:13])O)[cH:108][c:109]2o[c:102](=O)[cH:103][cH:104][c:110]12', 'CC(=O)Oc1cc(OCC=C(C)CCC=C(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O)cc2oc(=O)ccc12', '[CH3:21][C:168](=O)O[c:148]1[cH:107][c:161](O[CH2:66][CH:118]=[C:142]([CH3:16])[CH2:39][CH2:26][CH:128]=[C:131]([CH3:17])[CH2:43][C@H:69](O[C:171]([CH3:21])=O)[C@H:78](O[C:170]([CH3:21])=O)[C:72]([CH3:26])([CH3:27])O)[cH:100][c:156]2o[c:162](=O)[cH:113][cH:137][c:106]12', '40 41 C:105002 25.86 -14.63 C:9002 8.87 -7.63 C:10002 6.46 -16.03 C:15 16.15 -10.43 C:14 11.29 -10.43 C:12 5.25 -12.53 C:13 6.46 -10.43 O 23.41 -14.63 O 7.47 -9.03 O 5.25 -13.93 O 23.41 -6.23 O 5.25 -11.13 C:6 12.50 -12.53 C:2 17.37 -12.53 C:103 24.63 -8.33 C:104 24.63 -9.73 C:106 22.21 -12.53 C:108 20.99 -10.43 C:5 13.72 -11.83 C:1 18.58 -11.83 C:4 14.94 -12.53 C:8 10.08 -12.53 O 19.79 -12.53 O 24.63 -12.53 O 8.87 -10.43 O 7.67 -13.93 O 22.21 -8.33 C:105001 24.63 -13.93 C:9001 8.87 -9.03 C:10001 6.46 -14.63 C:3 16.15 -11.83 C:7 11.29 -11.83 C:107 20.99 -11.83 C:105 23.41 -11.83 C:102 23.41 -7.63 C:109 22.21 -9.73 C:110 23.41 -10.43 C:9 8.87 -11.83 C:10 7.67 -12.53 C:11 6.46 -11.83 1 28 1 2 29 1 3 30 1 4 31 1 5 32 1 6 40 1 7 40 1 8 28 2 9 29 2 10 30 2 11 35 2 12 40 1 13 19 1 13 32 2 14 20 1 14 31 2 15 16 2 15 35 1 16 37 1 17 33 1 17 34 2 18 33 2 18 36 1 19 21 1 20 23 1 21 31 1 22 32 1 22 38 1 23 33 1 24 28 1 24 34 1 25 29 1 38 25 -1 26 30 1 39 26 -2 27 35 1 27 36 1 34 37 1 36 37 2 38 39 1 39 40 1', '40 41 C 25.86 -14.63 C 8.87 -7.63 C 6.46 -16.03 C 16.15 -10.43 C 11.29 -10.43 C 5.25 -12.53 C 6.46 -10.43 O 23.41 -14.63 O 7.47 -9.03 O 5.25 -13.93 O 23.41 -6.23 O 5.25 -11.13 C 12.50 -12.53 C 17.37 -12.53 C 24.63 -8.33 C 24.63 -9.73 C 22.21 -12.53 C 20.99 -10.43 C 13.72 -11.83 C 18.58 -11.83 C 14.94 -12.53 C 10.08 -12.53 O 19.79 -12.53 O 24.63 -12.53 O 8.87 -10.43 O 7.67 -13.93 O 22.21 -8.33 C 24.63 -13.93 C 8.87 -9.03 C 6.46 -14.63 C 16.15 -11.83 C 11.29 -11.83 C 20.99 -11.83 C 23.41 -11.83 C 23.41 -7.63 C 22.21 -9.73 C 23.41 -10.43 C 8.87 -11.83 C 7.67 -12.53 C 6.46 -11.83 1 28 1 2 29 1 3 30 1 4 31 1 5 32 1 6 40 1 7 40 1 8 28 2 9 29 2 10 30 2 11 35 2 12 40 1 13 19 1 13 32 2 14 20 1 14 31 2 15 16 2 15 35 1 16 37 1 17 33 1 17 34 2 18 33 2 18 36 1 19 21 1 20 23 1 21 31 1 22 32 1 22 38 1 23 33 1 24 28 1 24 34 1 25 29 1 38 25 -1 26 30 1 39 26 -2 27 35 1 27 36 1 34 37 1 36 37 2 38 39 1 39 40 1', '40 41 C:21 25.86 -14.63 C:21 8.87 -7.63 C:21 6.46 -16.03 C:16 16.15 -10.43 C:17 11.29 -10.43 C:26 5.25 -12.53 C:27 6.46 -10.43 O 23.41 -14.63 O 7.47 -9.03 O 5.25 -13.93 O 23.41 -6.23 O 5.25 -11.13 C:128 12.50 -12.53 C:118 17.37 -12.53 C:113 24.63 -8.33 C:137 24.63 -9.73 C:107 22.21 -12.53 C:100 20.99 -10.43 C:26 13.72 -11.83 C:66 18.58 -11.83 C:39 14.94 -12.53 C:43 10.08 -12.53 O 19.79 -12.53 O 24.63 -12.53 O 8.87 -10.43 O 7.67 -13.93 O 22.21 -8.33 C:168 24.63 -13.93 C:171 8.87 -9.03 C:170 6.46 -14.63 C:142 16.15 -11.83 C:131 11.29 -11.83 C:161 20.99 -11.83 C:148 23.41 -11.83 C:162 23.41 -7.63 C:156 22.21 -9.73 C:106 23.41 -10.43 C:69 8.87 -11.83 C:78 7.67 -12.53 C:72 6.46 -11.83 1 28 1 2 29 1 3 30 1 4 31 1 5 32 1 6 40 1 7 40 1 8 28 2 9 29 2 10 30 2 11 35 2 12 40 1 13 19 1 13 32 2 14 20 1 14 31 2 15 16 2 15 35 1 16 37 1 17 33 1 17 34 2 18 33 2 18 36 1 19 21 1 20 23 1 21 31 1 22 32 1 22 38 1 23 33 1 24 28 1 24 34 1 25 29 1 38 25 -1 26 30 1 39 26 -2 27 35 1 27 36 1 34 37 1 36 37 2 38 39 1 39 40 1', 'C30H38O10', 558.315, 'C', 'ph31_4223_9', 129, '', '', '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
(7902, '10,11,5í-Trihydroxyumbelliprenin', '', 'Terpenoids', 'Merosesquiterpenoids', 'Farnesanes', '[CH3:15][C:3](=[CH:2][CH2:1]O[c:107]2[cH:106][c:105](O)[c:110]1[cH:104][cH:103][c:102](=O)o[c:109]1[cH:108]2)[CH2:4][CH2:5][CH:6]=[C:7]([CH3:14])[CH2:8][CH2:9][C@H:10](O)[C:11]([CH3:12])([CH3:13])O', 'CC(=CCOc2cc(O)c1ccc(=O)oc1c2)CCC=C(C)CC[C@H](O)C(C)(C)O', '[CH3:16][C:141](=[CH:119][CH2:65]O[c:162]2[cH:98][c:155](O)[c:103]1[cH:139][cH:110][c:163](=O)o[c:157]1[cH:98]2)[CH2:39][CH2:25][CH:125]=[C:135]([CH3:16])[CH2:37][CH2:29][C@H:78](O)[C:74]([CH3:26])([CH3:23])O', '30 31 C:15 16.78 -11.51 C:14 11.92 -11.51 C:12 5.88 -13.61 C:13 7.09 -11.51 O 24.06 -7.31 O 25.27 -13.61 O 8.30 -15.01 O 5.88 -12.21 C:6 13.13 -13.61 C:2 18.00 -13.61 C:103 25.27 -9.41 C:104 25.27 -10.81 C:106 22.85 -13.61 C:108 21.63 -11.51 C:5 14.35 -12.91 C:1 19.21 -12.91 C:4 15.57 -13.61 C:8 10.71 -13.61 C:9 9.50 -12.91 O 20.42 -13.61 O 22.85 -9.41 C:3 16.78 -12.91 C:7 11.92 -12.91 C:105 24.06 -12.91 C:107 21.63 -12.91 C:102 24.06 -8.71 C:109 22.85 -10.81 C:110 24.06 -11.51 C:10 8.30 -13.61 C:11 7.09 -12.91 1 22 1 2 23 1 3 30 1 4 30 1 5 26 2 6 24 1 29 7 -2 8 30 1 9 15 1 9 23 2 10 16 1 10 22 2 11 12 2 11 26 1 12 28 1 13 24 2 13 25 1 14 25 2 14 27 1 15 17 1 16 20 1 17 22 1 18 19 1 18 23 1 19 29 1 20 25 1 21 26 1 21 27 1 24 28 1 27 28 2 29 30 1', '30 31 C 16.78 -11.51 C 11.92 -11.51 C 5.88 -13.61 C 7.09 -11.51 O 24.06 -7.31 O 25.27 -13.61 O 8.30 -15.01 O 5.88 -12.21 C 13.13 -13.61 C 18.00 -13.61 C 25.27 -9.41 C 25.27 -10.81 C 22.85 -13.61 C 21.63 -11.51 C 14.35 -12.91 C 19.21 -12.91 C 15.57 -13.61 C 10.71 -13.61 C 9.50 -12.91 O 20.42 -13.61 O 22.85 -9.41 C 16.78 -12.91 C 11.92 -12.91 C 24.06 -12.91 C 21.63 -12.91 C 24.06 -8.71 C 22.85 -10.81 C 24.06 -11.51 C 8.30 -13.61 C 7.09 -12.91 1 22 1 2 23 1 3 30 1 4 30 1 5 26 2 6 24 1 29 7 -2 8 30 1 9 15 1 9 23 2 10 16 1 10 22 2 11 12 2 11 26 1 12 28 1 13 24 2 13 25 1 14 25 2 14 27 1 15 17 1 16 20 1 17 22 1 18 19 1 18 23 1 19 29 1 20 25 1 21 26 1 21 27 1 24 28 1 27 28 2 29 30 1', '30 31 C:16 16.78 -11.51 C:16 11.92 -11.51 C:26 5.88 -13.61 C:23 7.09 -11.51 O 24.06 -7.31 O 25.27 -13.61 O 8.30 -15.01 O 5.88 -12.21 C:125 13.13 -13.61 C:119 18.00 -13.61 C:110 25.27 -9.41 C:139 25.27 -10.81 C:98 22.85 -13.61 C:98 21.63 -11.51 C:25 14.35 -12.91 C:65 19.21 -12.91 C:39 15.57 -13.61 C:37 10.71 -13.61 C:29 9.50 -12.91 O 20.42 -13.61 O 22.85 -9.41 C:141 16.78 -12.91 C:135 11.92 -12.91 C:155 24.06 -12.91 C:162 21.63 -12.91 C:163 24.06 -8.71 C:157 22.85 -10.81 C:103 24.06 -11.51 C:78 8.30 -13.61 C:74 7.09 -12.91 1 22 1 2 23 1 3 30 1 4 30 1 5 26 2 6 24 1 29 7 -2 8 30 1 9 15 1 9 23 2 10 16 1 10 22 2 11 12 2 11 26 1 12 28 1 13 24 2 13 25 1 14 25 2 14 27 1 15 17 1 16 20 1 17 22 1 18 19 1 18 23 1 19 29 1 20 25 1 21 26 1 21 27 1 24 28 1 27 28 2 29 30 1', 'C24H32O6', 416.253, 'C', 'ph31_4223_10', 129, '', '', '1', 1, NULL, NULL),
(7903, '', '', 'Chromans', 'Coumarins', 'Coumarins', '[CH2:105]=[C:103]1[CH2:102][C:101](=O)O[CH:104]1[c:7]3[cH:6][cH:5][c:10]2[cH:4][cH:3][c:2](=O)o[c:9]2[cH:8]3', 'C=C1CC(=O)OC1c3ccc2ccc(=O)oc2c3', '[CH2:110]=[C:113]1[CH2:49][C:162](=O)O[CH:71]1[c:144]3[cH:113][cH:130][c:114]2[cH:144][cH:114][c:161](=O)o[c:152]2[cH:107]3', '18 20 C:105 14.63 -8.60 O 10.14 -10.62 O 21.02 -10.93 C:6 14.96 -13.03 C:3 19.81 -13.03 C:5 16.18 -13.73 C:4 18.60 -13.73 C:8 16.18 -10.93 C:102 12.23 -9.25 O 12.47 -11.51 O 18.60 -10.93 C:101 11.53 -10.47 C:103 13.60 -9.54 C:7 14.96 -11.63 C:2 19.81 -11.63 C:10 17.39 -13.03 C:9 17.39 -11.63 C:104 13.75 -10.93 1 13 2 2 12 2 3 15 2 4 6 1 4 14 2 5 7 2 5 15 1 6 16 2 7 16 1 8 14 1 8 17 2 9 12 1 9 13 1 10 12 1 10 18 1 11 15 1 11 17 1 13 18 1 14 18 1 16 17 1', '18 20 C 14.63 -8.60 O 10.14 -10.62 O 21.02 -10.93 C 14.96 -13.03 C 19.81 -13.03 C 16.18 -13.73 C 18.60 -13.73 C 16.18 -10.93 C 12.23 -9.25 O 12.47 -11.51 O 18.60 -10.93 C 11.53 -10.47 C 13.60 -9.54 C 14.96 -11.63 C 19.81 -11.63 C 17.39 -13.03 C 17.39 -11.63 C 13.75 -10.93 1 13 2 2 12 2 3 15 2 4 6 1 4 14 2 5 7 2 5 15 1 6 16 2 7 16 1 8 14 1 8 17 2 9 12 1 9 13 1 10 12 1 10 18 1 11 15 1 11 17 1 13 18 1 14 18 1 16 17 1', '18 20 C:110 14.63 -8.60 O 10.14 -10.62 O 21.02 -10.93 C:113 14.96 -13.03 C:114 19.81 -13.03 C:130 16.18 -13.73 C:144 18.60 -13.73 C:107 16.18 -10.93 C:49 12.23 -9.25 O 12.47 -11.51 O 18.60 -10.93 C:162 11.53 -10.47 C:113 13.60 -9.54 C:144 14.96 -11.63 C:161 19.81 -11.63 C:114 17.39 -13.03 C:152 17.39 -11.63 C:71 13.75 -10.93 1 13 2 2 12 2 3 15 2 4 6 1 4 14 2 5 7 2 5 15 1 6 16 2 7 16 1 8 14 1 8 17 2 9 12 1 9 13 1 10 12 1 10 18 1 11 15 1 11 17 1 13 18 1 14 18 1 16 17 1', 'C14H10O4', 242.147, 'C', 'pm93_93_', 1846, '', 'B7-41', '1', 1, NULL, NULL),
(7904, '', '(+)-trans-Dauca-4(11),8-diene', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8]([CH3:14])=[CH:9][CH2:10][C@@:1]1([CH3:15])[CH2:2][CH2:3][C:4]2=[C:11]([CH3:13])[CH3:12]', '[H][C@@]12CCC(C)=CC[C@@]1(C)CCC2=C(C)C', '[H][C@@:52]12[CH2:30][CH2:30][C:136]([CH3:29])=[CH:124][CH2:31][C@@:45]1([CH3:17])[CH2:40][CH2:41][C:139]2=[C:110]([CH3:21])[CH3:23]', '16 17 H 14.76 -12.23 C:13 13.67 -13.75 C:12 11.54 -12.52 C:14 19.65 -12.01 C:15 15.52 -8.52 C:9 18.11 -10.16 C:10 16.88 -9.43 C:7 17.30 -12.60 C:3 13.23 -9.94 C:2 14.38 -9.10 C:6 15.88 -12.47 C:11 12.96 -12.52 C:8 18.30 -11.57 C:4 13.67 -11.28 C:1 15.53 -9.94 C:5 15.09 -11.28 16 1 -2 2 12 1 3 12 1 4 13 1 15 5 -1 6 7 1 6 13 2 7 15 1 8 11 1 8 13 1 9 10 1 9 14 1 10 15 1 11 16 1 12 14 2 14 16 1 15 16 1', '16 17 H 14.76 -12.23 C 13.67 -13.75 C 11.54 -12.52 C 19.65 -12.01 C 15.52 -8.52 C 18.11 -10.16 C 16.88 -9.43 C 17.30 -12.60 C 13.23 -9.94 C 14.38 -9.10 C 15.88 -12.47 C 12.96 -12.52 C 18.30 -11.57 C 13.67 -11.28 C 15.53 -9.94 C 15.09 -11.28 16 1 -2 2 12 1 3 12 1 4 13 1 15 5 -1 6 7 1 6 13 2 7 15 1 8 11 1 8 13 1 9 10 1 9 14 1 10 15 1 11 16 1 12 14 2 14 16 1 15 16 1', '16 17 H 14.76 -12.23 C:21 13.67 -13.75 C:23 11.54 -12.52 C:29 19.65 -12.01 C:17 15.52 -8.52 C:124 18.11 -10.16 C:31 16.88 -9.43 C:30 17.30 -12.60 C:41 13.23 -9.94 C:40 14.38 -9.10 C:30 15.88 -12.47 C:110 12.96 -12.52 C:136 18.30 -11.57 C:139 13.67 -11.28 C:45 15.53 -9.94 C:52 15.09 -11.28 16 1 -2 2 12 1 3 12 1 4 13 1 15 5 -1 6 7 1 6 13 2 7 15 1 8 11 1 8 13 1 9 10 1 9 14 1 10 15 1 11 16 1 12 14 2 14 16 1 15 16 1', 'C15H24', 204.168, 'B', 'ph52_99_2', 2425, '', '', '1', 35, NULL, NULL),
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(7921, '', '3a,4b-Dihydroxy-5bH,11aH-eudesman-6,12-olide', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:7]23[CH2:8][CH2:9][C@:10]1([CH3:14])[CH2:1][CH2:2][C@@H:3](O)[C@:4]([CH3:15])(O)[C@@:5]1([H])[C@:6]2([H])O[C:12](=O)[C@@H:11]3[CH3:13]', '[H][C@@]23CC[C@]1(C)CC[C@@H](O)[C@](C)(O)[C@@]1([H])[C@]2([H])OC(=O)[C@@H]3C', '[H][C@@:36]23[CH2:28][CH2:39][C@:38]1([CH3:16])[CH2:37][CH2:18][C@@H:80](O)[C@:72]([CH3:24])(O)[C@@:52]1([H])[C@:79]2([H])O[C:178](=O)[C@@H:37]3[CH3:11]', '22 24 H 18.29 -10.45 H 15.49 -12.02 H 14.91 -11.90 C:13 19.97 -11.56 C:14 14.91 -7.85 C:15 14.34 -12.81 O 18.67 -14.45 O 11.15 -11.56 O 12.94 -12.81 C:2 12.36 -9.35 C:1 13.64 -8.60 C:9 16.19 -8.60 C:8 17.48 -9.35 O 16.50 -13.02 C:12 17.93 -13.18 C:11 18.56 -11.85 C:3 12.36 -10.85 C:10 14.91 -9.35 C:4 13.64 -11.59 C:7 17.48 -10.85 C:6 16.19 -11.59 C:5 14.91 -10.85 20 1 -2 21 2 -2 22 3 -1 16 4 -1 18 5 -2 19 6 -2 7 15 2 17 8 -2 19 9 -1 10 11 1 10 17 1 11 18 1 12 13 1 12 18 1 13 20 1 14 15 1 14 21 1 15 16 1 16 20 1 17 19 1 18 22 1 19 22 1 20 21 1 21 22 1', '22 24 H 18.29 -10.45 H 15.49 -12.02 H 14.91 -11.90 C 19.97 -11.56 C 14.91 -7.85 C 14.34 -12.81 O 18.67 -14.45 O 11.15 -11.56 O 12.94 -12.81 C 12.36 -9.35 C 13.64 -8.60 C 16.19 -8.60 C 17.48 -9.35 O 16.50 -13.02 C 17.93 -13.18 C 18.56 -11.85 C 12.36 -10.85 C 14.91 -9.35 C 13.64 -11.59 C 17.48 -10.85 C 16.19 -11.59 C 14.91 -10.85 20 1 -2 21 2 -2 22 3 -1 16 4 -1 18 5 -2 19 6 -2 7 15 2 17 8 -2 19 9 -1 10 11 1 10 17 1 11 18 1 12 13 1 12 18 1 13 20 1 14 15 1 14 21 1 15 16 1 16 20 1 17 19 1 18 22 1 19 22 1 20 21 1 21 22 1', '22 24 H 18.29 -10.45 H 15.49 -12.02 H 14.91 -11.90 C:11 19.97 -11.56 C:16 14.91 -7.85 C:24 14.34 -12.81 O 18.67 -14.45 O 11.15 -11.56 O 12.94 -12.81 C:18 12.36 -9.35 C:37 13.64 -8.60 C:39 16.19 -8.60 C:28 17.48 -9.35 O 16.50 -13.02 C:178 17.93 -13.18 C:37 18.56 -11.85 C:80 12.36 -10.85 C:38 14.91 -9.35 C:72 13.64 -11.59 C:36 17.48 -10.85 C:79 16.19 -11.59 C:52 14.91 -10.85 20 1 -2 21 2 -2 22 3 -1 16 4 -1 18 5 -2 19 6 -2 7 15 2 17 8 -2 19 9 -1 10 11 1 10 17 1 11 18 1 12 13 1 12 18 1 13 20 1 14 15 1 14 21 1 15 16 1 16 20 1 17 19 1 18 22 1 19 22 1 20 21 1 21 22 1', 'C15H24O4', 268.182, 'C', 'ph57_513_1', 49, '', '', '1', 35, 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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(7945, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Chamigranes', '[CH3:14][C:7]1=[CH:8][CH2:9][C@@H:10](Br)[C@:11]([CH3:13])([CH3:12])[C@:6]12[CH2:1][CH2:2][C@:3]([CH3:15])(Br)[C@@H:4](Cl)[CH2:5]2', 'CC1=CC[C@@H](Br)[C@](C)(C)[C@]12CC[C@](C)(Br)[C@@H](Cl)C2', '[CH3:26][C:140]1=[CH:123][CH2:36][C@@H:61](Br)[C@:43]([CH3:25])([CH3:17])[C@:47]12[CH2:32][CH2:42][C@:68]([CH3:24])(Br)[C@@H:70](Cl)[CH2:38]2', '18 19 C:14 17.44 -13.23 C:13 14.85 -9.56 C:12 15.85 -8.32 C:15 13.13 -13.74 Cl 15.01 -14.63 Br 17.44 -7.64 Br 12.44 -12.54 C:8 18.66 -11.16 C:9 18.66 -9.72 C:2 13.83 -11.16 C:1 15.03 -10.46 C:5 16.25 -12.54 C:7 17.44 -11.86 C:4 15.03 -13.23 C:10 17.44 -9.02 C:11 16.25 -9.72 C:3 13.83 -12.54 C:6 16.25 -11.16 1 13 1 16 2 -2 16 3 -1 17 4 -2 14 5 -2 15 6 -2 17 7 -1 8 9 1 8 13 2 9 15 1 10 11 1 10 17 1 18 11 -1 12 14 1 18 12 -2 13 18 1 14 17 1 15 16 1 16 18 1', '18 19 C 17.44 -13.23 C 14.85 -9.56 C 15.85 -8.32 C 13.13 -13.74 Cl 15.01 -14.63 Br 17.44 -7.64 Br 12.44 -12.54 C 18.66 -11.16 C 18.66 -9.72 C 13.83 -11.16 C 15.03 -10.46 C 16.25 -12.54 C 17.44 -11.86 C 15.03 -13.23 C 17.44 -9.02 C 16.25 -9.72 C 13.83 -12.54 C 16.25 -11.16 1 13 1 16 2 -2 16 3 -1 17 4 -2 14 5 -2 15 6 -2 17 7 -1 8 9 1 8 13 2 9 15 1 10 11 1 10 17 1 18 11 -1 12 14 1 18 12 -2 13 18 1 14 17 1 15 16 1 16 18 1', '18 19 C:26 17.44 -13.23 C:25 14.85 -9.56 C:17 15.85 -8.32 C:24 13.13 -13.74 Cl 15.01 -14.63 Br 17.44 -7.64 Br 12.44 -12.54 C:123 18.66 -11.16 C:36 18.66 -9.72 C:42 13.83 -11.16 C:32 15.03 -10.46 C:38 16.25 -12.54 C:140 17.44 -11.86 C:70 15.03 -13.23 C:61 17.44 -9.02 C:43 16.25 -9.72 C:68 13.83 -12.54 C:47 16.25 -11.16 1 13 1 16 2 -2 16 3 -1 17 4 -2 14 5 -2 15 6 -2 17 7 -1 8 9 1 8 13 2 9 15 1 10 11 1 10 17 1 18 11 -1 12 14 1 18 12 -2 13 18 1 14 17 1 15 16 1 16 18 1', 'C15H23Br2Cl', 398.421, 'C', 'np05_1677_1', 518, '', '', '1', 1, NULL, NULL),
(7946, 'Acetylelatol', '', 'Terpenoids', 'Sesquiterpenoids', 'Chamigranes', '[CH2:14]=[C:7]1[CH2:8][C@H:9](O[C:9001]([CH3:9002])=O)[C@H:10](Br)[C@@:11]([CH3:12])([CH3:13])[C@:6]12[CH2:1][CH2:2][C:3]([CH3:15])=[C:4](Cl)[CH2:5]2', 'C=C1C[C@H](OC(C)=O)[C@H](Br)[C@@](C)(C)[C@]12CCC(C)=C(Cl)C2', '[CH2:116]=[C:141]1[CH2:37][C@H:74](O[C:170]([CH3:21])=O)[C@H:63](Br)[C@@:43]([CH3:20])([CH3:24])[C@:49]12[CH2:26][CH2:29][C:128]([CH3:19])=[C:124](Cl)[CH2:39]2', '21 22 C:14 15.58 -13.21 C:9002 20.41 -8.93 C:15 10.74 -13.22 C:12 13.98 -8.31 C:13 12.98 -9.55 O 19.24 -11.05 Cl 13.14 -14.61 Br 15.58 -7.63 C:2 11.96 -11.14 C:1 13.14 -10.44 C:8 16.79 -11.14 C:5 14.38 -12.52 O 17.98 -8.98 C:9001 19.24 -9.66 C:3 11.96 -12.52 C:7 15.58 -11.84 C:4 13.14 -13.21 C:9 16.79 -9.71 C:10 15.58 -9.01 C:11 14.38 -9.71 C:6 14.38 -11.14 1 16 2 2 14 1 3 15 1 20 4 -1 20 5 -2 6 14 2 7 17 1 19 8 -1 9 10 1 9 15 1 21 10 -1 11 16 1 11 18 1 12 17 1 21 12 -2 13 14 1 18 13 -1 15 17 2 16 21 1 18 19 1 19 20 1 20 21 1', '21 22 C 15.58 -13.21 C 20.41 -8.93 C 10.74 -13.22 C 13.98 -8.31 C 12.98 -9.55 O 19.24 -11.05 Cl 13.14 -14.61 Br 15.58 -7.63 C 11.96 -11.14 C 13.14 -10.44 C 16.79 -11.14 C 14.38 -12.52 O 17.98 -8.98 C 19.24 -9.66 C 11.96 -12.52 C 15.58 -11.84 C 13.14 -13.21 C 16.79 -9.71 C 15.58 -9.01 C 14.38 -9.71 C 14.38 -11.14 1 16 2 2 14 1 3 15 1 20 4 -1 20 5 -2 6 14 2 7 17 1 19 8 -1 9 10 1 9 15 1 21 10 -1 11 16 1 11 18 1 12 17 1 21 12 -2 13 14 1 18 13 -1 15 17 2 16 21 1 18 19 1 19 20 1 20 21 1', '21 22 C:116 15.58 -13.21 C:21 20.41 -8.93 C:19 10.74 -13.22 C:20 13.98 -8.31 C:24 12.98 -9.55 O 19.24 -11.05 Cl 13.14 -14.61 Br 15.58 -7.63 C:29 11.96 -11.14 C:26 13.14 -10.44 C:37 16.79 -11.14 C:39 14.38 -12.52 O 17.98 -8.98 C:170 19.24 -9.66 C:128 11.96 -12.52 C:141 15.58 -11.84 C:124 13.14 -13.21 C:74 16.79 -9.71 C:63 15.58 -9.01 C:43 14.38 -9.71 C:49 14.38 -11.14 1 16 2 2 14 1 3 15 1 20 4 -1 20 5 -2 6 14 2 7 17 1 19 8 -1 9 10 1 9 15 1 21 10 -1 11 16 1 11 18 1 12 17 1 21 12 -2 13 14 1 18 13 -1 15 17 2 16 21 1 18 19 1 19 20 1 20 21 1', 'C17H24BrClO2', 375.537, 'C', 'np05_1677_4', 518, '', '', '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
(7947, '', '9-Acetoxy-E-gamma-bisabolene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:13][C:11]([CH3:12])=[CH:10][CH:9]([CH2:8][C:7]([CH3:14])=[C:6]1[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]1)O[C:9001]([CH3:9002])=O', 'CC(C)=CC(CC(C)=C1CC=C(C)CC1)OC(C)=O', '[CH3:18][C:137]([CH3:26])=[CH:124][CH:71]([CH2:39][C:132]([CH3:19])=[C:121]1[CH2:30][CH:120]=[C:134]([CH3:23])[CH2:32][CH2:27]1)O[C:170]([CH3:21])=O', '19 19 C:13 21.10 -12.22 C:12 19.86 -10.09 C:9002 18.62 -7.96 C:15 10.01 -14.36 C:14 14.92 -10.09 O 19.52 -9.83 C:2 11.25 -12.22 C:10 18.66 -12.22 C:1 12.45 -11.49 C:4 12.45 -14.36 C:5 13.69 -13.64 C:8 16.15 -12.22 O 17.39 -10.09 C:11 19.86 -11.49 C:9001 18.62 -9.38 C:3 11.25 -13.64 C:7 14.92 -11.49 C:6 13.69 -12.22 C:9 17.39 -11.49 1 14 1 2 14 1 3 15 1 4 16 1 5 17 1 6 15 2 7 9 1 7 16 2 8 14 2 8 19 1 9 18 1 10 11 1 10 16 1 11 18 1 12 17 1 12 19 1 13 15 1 13 19 1 17 18 2', '19 19 C 21.10 -12.22 C 19.86 -10.09 C 18.62 -7.96 C 10.01 -14.36 C 14.92 -10.09 O 19.52 -9.83 C 11.25 -12.22 C 18.66 -12.22 C 12.45 -11.49 C 12.45 -14.36 C 13.69 -13.64 C 16.15 -12.22 O 17.39 -10.09 C 19.86 -11.49 C 18.62 -9.38 C 11.25 -13.64 C 14.92 -11.49 C 13.69 -12.22 C 17.39 -11.49 1 14 1 2 14 1 3 15 1 4 16 1 5 17 1 6 15 2 7 9 1 7 16 2 8 14 2 8 19 1 9 18 1 10 11 1 10 16 1 11 18 1 12 17 1 12 19 1 13 15 1 13 19 1 17 18 2', '19 19 C:18 21.10 -12.22 C:26 19.86 -10.09 C:21 18.62 -7.96 C:23 10.01 -14.36 C:19 14.92 -10.09 O 19.52 -9.83 C:120 11.25 -12.22 C:124 18.66 -12.22 C:30 12.45 -11.49 C:32 12.45 -14.36 C:27 13.69 -13.64 C:39 16.15 -12.22 O 17.39 -10.09 C:137 19.86 -11.49 C:170 18.62 -9.38 C:134 11.25 -13.64 C:132 14.92 -11.49 C:121 13.69 -12.22 C:71 17.39 -11.49 1 14 1 2 14 1 3 15 1 4 16 1 5 17 1 6 15 2 7 9 1 7 16 2 8 14 2 8 19 1 9 18 1 10 11 1 10 16 1 11 18 1 12 17 1 12 19 1 13 15 1 13 19 1 17 18 2', 'C17H26O2', 262.181, 'C', 'np97_967_1', 1174, '', '', '1', 1, NULL, NULL),
(7948, '', '10a-Bromo-9b-hydroxy-a-chamigrene', 'Terpenoids', 'Sesquiterpenoids', 'Chamigranes', '[CH3:15][C:3]1=[CH:2][CH2:1][C@@:6]2([CH2:5][CH2:4]1)[C:7]([CH3:14])=[CH:8][C@@H:9](O)[C@H:10](Br)[C@:11]2([CH3:13])[CH3:12]', 'CC1=CC[C@@]2(CC1)C(C)=C[C@@H](O)[C@H](Br)[C@]2(C)C', '[CH3:23][C:134]1=[CH:122][CH2:30][C@@:44]2([CH2:31][CH2:29]1)[C:144]([CH3:23])=[CH:123][C@@H:74](O)[C@H:73](Br)[C@:44]2([CH3:25])[CH3:18]', '17 18 C:15 11.96 -13.96 C:14 16.79 -13.95 C:13 14.20 -10.32 C:12 15.19 -9.08 O 19.23 -9.78 Br 16.79 -8.38 C:2 13.17 -11.88 C:8 18.02 -11.88 C:1 14.38 -11.17 C:4 14.38 -13.96 C:5 15.59 -13.26 C:3 13.17 -13.26 C:7 16.79 -12.58 C:9 18.02 -10.48 C:10 16.79 -9.78 C:11 15.59 -10.48 C:6 15.59 -11.88 1 12 1 2 13 1 16 3 -2 16 4 -1 14 5 -2 15 6 -1 7 9 1 7 12 2 8 13 2 8 14 1 17 9 -2 10 11 1 10 12 1 17 11 -1 13 17 1 14 15 1 15 16 1 16 17 1', '17 18 C 11.96 -13.96 C 16.79 -13.95 C 14.20 -10.32 C 15.19 -9.08 O 19.23 -9.78 Br 16.79 -8.38 C 13.17 -11.88 C 18.02 -11.88 C 14.38 -11.17 C 14.38 -13.96 C 15.59 -13.26 C 13.17 -13.26 C 16.79 -12.58 C 18.02 -10.48 C 16.79 -9.78 C 15.59 -10.48 C 15.59 -11.88 1 12 1 2 13 1 16 3 -2 16 4 -1 14 5 -2 15 6 -1 7 9 1 7 12 2 8 13 2 8 14 1 17 9 -2 10 11 1 10 12 1 17 11 -1 13 17 1 14 15 1 15 16 1 16 17 1', '17 18 C:23 11.96 -13.96 C:23 16.79 -13.95 C:25 14.20 -10.32 C:18 15.19 -9.08 O 19.23 -9.78 Br 16.79 -8.38 C:122 13.17 -11.88 C:123 18.02 -11.88 C:30 14.38 -11.17 C:29 14.38 -13.96 C:31 15.59 -13.26 C:134 13.17 -13.26 C:144 16.79 -12.58 C:74 18.02 -10.48 C:73 16.79 -9.78 C:44 15.59 -10.48 C:44 15.59 -11.88 1 12 1 2 13 1 16 3 -2 16 4 -1 14 5 -2 15 6 -1 7 9 1 7 12 2 8 13 2 8 14 1 17 9 -2 10 11 1 10 12 1 17 11 -1 13 17 1 14 15 1 15 16 1 16 17 1', 'C15H23BrO', 299.064, 'C', 'np97_967_2', 1174, '', '', '1', 1, NULL, NULL),
(7949, '', 'Rigidol', 'Terpenoids', 'Sesquiterpenoids', 'Chamigranes', '[CH2:14]=[C:7]1[CH2:8][C@H:9](O)[C@H:10](Br)[C@:11]([CH3:13])([CH3:12])[C@:6]12[CH:1]=[CH:2][C@@:3]([CH3:15])(O)[CH2:4][CH2:5]2', 'C=C1C[C@H](O)[C@H](Br)[C@](C)(C)[C@]12C=C[C@@](C)(O)CC2', '[CH2:117]=[C:144]1[CH2:38][C@H:72](O)[C@H:71](Br)[C@:43]([CH3:27])([CH3:22])[C@:51]12[CH:136]=[CH:131][C@@:79]([CH3:25])(O)[CH2:29][CH2:23]2', '18 19 C:14 16.85 -13.68 C:15 12.52 -14.19 C:13 14.26 -10.04 C:12 15.25 -8.80 O 19.29 -9.50 O 11.83 -12.98 Br 16.85 -8.10 C:2 13.23 -11.61 C:1 14.44 -10.90 C:4 14.44 -13.68 C:5 15.65 -12.99 C:8 18.08 -11.61 C:7 16.85 -12.31 C:9 18.08 -10.20 C:10 16.85 -9.50 C:3 13.23 -12.98 C:11 15.65 -10.20 C:6 15.65 -11.61 1 13 2 16 2 -1 17 3 -2 17 4 -1 14 5 -1 16 6 -2 15 7 -1 8 9 2 8 16 1 18 9 -1 10 11 1 10 16 1 18 11 -2 12 13 1 12 14 1 13 18 1 14 15 1 15 17 1 17 18 1', '18 19 C 16.85 -13.68 C 12.52 -14.19 C 14.26 -10.04 C 15.25 -8.80 O 19.29 -9.50 O 11.83 -12.98 Br 16.85 -8.10 C 13.23 -11.61 C 14.44 -10.90 C 14.44 -13.68 C 15.65 -12.99 C 18.08 -11.61 C 16.85 -12.31 C 18.08 -10.20 C 16.85 -9.50 C 13.23 -12.98 C 15.65 -10.20 C 15.65 -11.61 1 13 2 16 2 -1 17 3 -2 17 4 -1 14 5 -1 16 6 -2 15 7 -1 8 9 2 8 16 1 18 9 -1 10 11 1 10 16 1 18 11 -2 12 13 1 12 14 1 13 18 1 14 15 1 15 17 1 17 18 1', '18 19 C:117 16.85 -13.68 C:25 12.52 -14.19 C:27 14.26 -10.04 C:22 15.25 -8.80 O 19.29 -9.50 O 11.83 -12.98 Br 16.85 -8.10 C:131 13.23 -11.61 C:136 14.44 -10.90 C:29 14.44 -13.68 C:23 15.65 -12.99 C:38 18.08 -11.61 C:144 16.85 -12.31 C:72 18.08 -10.20 C:71 16.85 -9.50 C:79 13.23 -12.98 C:43 15.65 -10.20 C:51 15.65 -11.61 1 13 2 16 2 -1 17 3 -2 17 4 -1 14 5 -1 16 6 -2 15 7 -1 8 9 2 8 16 1 18 9 -1 10 11 1 10 16 1 18 11 -2 12 13 1 12 14 1 13 18 1 14 15 1 15 17 1 17 18 1', 'C15H23BrO2', 315.063, 'C', 'np97_967_3', 1174, '', '', '1', 1, NULL, NULL),
(7950, '', '(10S)-10-Bromo-b-chamigrene', 'Terpenoids', 'Sesquiterpenoids', 'Chamigranes', '[CH2:14]=[C:7]1[CH2:8][CH2:9][C@H:10](Br)[C@:11]([CH3:13])([CH3:12])[C@:6]12[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]2', 'C=C1CC[C@H](Br)[C@](C)(C)[C@]12CC=C(C)CC2', '[CH2:113]=[C:146]1[CH2:33][CH2:36][C@H:66](Br)[C@:43]([CH3:24])([CH3:18])[C@:47]12[CH2:30][CH:120]=[C:133]([CH3:23])[CH2:28][CH2:26]2', '16 17 C:14 17.35 -13.96 C:15 12.54 -13.96 C:13 14.77 -10.31 C:12 15.76 -9.07 Br 17.35 -8.37 C:2 13.74 -11.89 C:1 14.95 -11.18 C:8 18.57 -11.89 C:4 14.95 -13.96 C:9 18.57 -10.47 C:5 16.16 -13.26 C:3 13.74 -13.26 C:7 17.35 -12.59 C:10 17.35 -9.77 C:11 16.16 -10.47 C:6 16.16 -11.89 1 13 2 2 12 1 15 3 -2 15 4 -1 14 5 -1 6 7 1 6 12 2 16 7 -1 8 10 1 8 13 1 9 11 1 9 12 1 10 14 1 16 11 -2 13 16 1 14 15 1 15 16 1', '16 17 C 17.35 -13.96 C 12.54 -13.96 C 14.77 -10.31 C 15.76 -9.07 Br 17.35 -8.37 C 13.74 -11.89 C 14.95 -11.18 C 18.57 -11.89 C 14.95 -13.96 C 18.57 -10.47 C 16.16 -13.26 C 13.74 -13.26 C 17.35 -12.59 C 17.35 -9.77 C 16.16 -10.47 C 16.16 -11.89 1 13 2 2 12 1 15 3 -2 15 4 -1 14 5 -1 6 7 1 6 12 2 16 7 -1 8 10 1 8 13 1 9 11 1 9 12 1 10 14 1 16 11 -2 13 16 1 14 15 1 15 16 1', '16 17 C:113 17.35 -13.96 C:23 12.54 -13.96 C:24 14.77 -10.31 C:18 15.76 -9.07 Br 17.35 -8.37 C:120 13.74 -11.89 C:30 14.95 -11.18 C:33 18.57 -11.89 C:28 14.95 -13.96 C:36 18.57 -10.47 C:26 16.16 -13.26 C:133 13.74 -13.26 C:146 17.35 -12.59 C:66 17.35 -9.77 C:43 16.16 -10.47 C:47 16.16 -11.89 1 13 2 2 12 1 15 3 -2 15 4 -1 14 5 -1 6 7 1 6 12 2 16 7 -1 8 10 1 8 13 1 9 11 1 9 12 1 10 14 1 16 11 -2 13 16 1 14 15 1 15 16 1', 'C15H23Br', 283.065, 'C', 'np97_967_4', 1174, '', '', '1', 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
(7967, 'Inulanolide C', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:108]16[CH2:109][C:110](=[CH2:114])[C:105]([C@@H:104]([CH3:115])[CH2:103][CH2:102][CH2:101]O)=[CH:106][C@:107]1([H])[C:111]2([CH2:113][C@:1]35[C:5](=[C:4]([CH3:15])[C@H:3]2[C@H:2]3O[C:2001]([CH3:2002])=O)[CH2:6][C@:7]4([H])[C:11](=[CH2:13])[C:12](=O)O[C@@:8]4([H])[CH2:9][C@@H:10]5[CH3:14])[C:112](=O)O6', '[H][C@@]16CC(=C)C([C@@H](C)CCCO)=C[C@]1([H])C2(C[C@]35C(=C(C)[C@H]2[C@H]3OC(C)=O)C[C@]4([H])C(=C)C(=O)O[C@@]4([H])C[C@@H]5C)C(=O)O6', '[H][C@@:75]16[CH2:35][C:136](=[CH2:113])[C:145]([C@@H:34]([CH3:21])[CH2:33][CH2:31][CH2:63]O)=[CH:118][C@:43]1([H])[C:57]2([CH2:36][C@:62]35[C:137](=[C:134]([CH3:14])[C@H:55]2[C@H:82]3O[C:170]([CH3:21])=O)[CH2:26][C@:45]4([H])[C:139](=[CH2:120])[C:170](=O)O[C@@:82]4([H])[CH2:36][C@@H:30]5[CH3:17])[C:179](=O)O6', '43 48 H 13.06 -7.54 H 21.74 -11.38 H 19.71 -13.95 H 15.04 -10.23 C:114 10.23 -9.85 C:13 20.52 -15.62 C:2002 19.75 -6.87 C:15 15.73 -13.20 C:115 12.70 -13.31 C:14 19.59 -8.70 O 17.83 -6.72 O 23.45 -14.87 O 16.98 -6.79 O 7.65 -12.57 C:106 13.87 -10.73 C:101 8.49 -13.73 C:102 9.89 -13.58 C:103 10.49 -12.30 C:109 12.23 -8.44 C:6 18.90 -13.20 C:9 20.85 -10.74 C:113 17.47 -8.57 O 18.57 -8.95 O 22.47 -12.57 O 14.46 -7.17 C:2001 18.57 -7.54 C:110 11.63 -9.71 C:11 21.03 -14.34 C:12 22.38 -13.95 C:4 16.54 -12.09 C:112 15.84 -7.62 C:105 12.46 -10.87 C:5 18.07 -12.09 C:104 11.89 -12.17 C:10 19.59 -10.10 C:2 17.19 -9.94 C:3 16.09 -10.81 C:108 13.64 -8.31 C:8 21.18 -12.09 C:7 20.28 -13.20 C:107 14.46 -9.44 C:1 18.37 -10.73 C:111 15.84 -9.01 38 1 -2 39 2 -1 40 3 -2 41 4 -2 5 27 2 6 28 2 7 26 1 8 30 1 34 9 -1 35 10 -1 11 26 2 12 29 2 13 31 2 14 16 1 15 32 2 15 41 1 16 17 1 17 18 1 18 34 1 19 27 1 19 38 1 20 33 1 20 40 1 21 35 1 21 39 1 42 22 -2 22 43 1 23 26 1 36 23 -1 24 29 1 24 39 1 25 31 1 25 38 1 27 32 1 28 29 1 28 40 1 30 33 2 30 37 1 31 43 1 32 34 1 33 42 1 35 42 1 36 37 1 36 42 1 37 43 -2 38 41 1 39 40 1 41 43 1', '43 48 H 13.06 -7.54 H 21.74 -11.38 H 19.71 -13.95 H 15.04 -10.23 C 10.23 -9.85 C 20.52 -15.62 C 19.75 -6.87 C 15.73 -13.20 C 12.70 -13.31 C 19.59 -8.70 O 17.83 -6.72 O 23.45 -14.87 O 16.98 -6.79 O 7.65 -12.57 C 13.87 -10.73 C 8.49 -13.73 C 9.89 -13.58 C 10.49 -12.30 C 12.23 -8.44 C 18.90 -13.20 C 20.85 -10.74 C 17.47 -8.57 O 18.57 -8.95 O 22.47 -12.57 O 14.46 -7.17 C 18.57 -7.54 C 11.63 -9.71 C 21.03 -14.34 C 22.38 -13.95 C 16.54 -12.09 C 15.84 -7.62 C 12.46 -10.87 C 18.07 -12.09 C 11.89 -12.17 C 19.59 -10.10 C 17.19 -9.94 C 16.09 -10.81 C 13.64 -8.31 C 21.18 -12.09 C 20.28 -13.20 C 14.46 -9.44 C 18.37 -10.73 C 15.84 -9.01 38 1 -2 39 2 -1 40 3 -2 41 4 -2 5 27 2 6 28 2 7 26 1 8 30 1 34 9 -1 35 10 -1 11 26 2 12 29 2 13 31 2 14 16 1 15 32 2 15 41 1 16 17 1 17 18 1 18 34 1 19 27 1 19 38 1 20 33 1 20 40 1 21 35 1 21 39 1 42 22 -2 22 43 1 23 26 1 36 23 -1 24 29 1 24 39 1 25 31 1 25 38 1 27 32 1 28 29 1 28 40 1 30 33 2 30 37 1 31 43 1 32 34 1 33 42 1 35 42 1 36 37 1 36 42 1 37 43 -2 38 41 1 39 40 1 41 43 1', '43 48 H 13.06 -7.54 H 21.74 -11.38 H 19.71 -13.95 H 15.04 -10.23 C:113 10.23 -9.85 C:120 20.52 -15.62 C:21 19.75 -6.87 C:14 15.73 -13.20 C:21 12.70 -13.31 C:17 19.59 -8.70 O 17.83 -6.72 O 23.45 -14.87 O 16.98 -6.79 O 7.65 -12.57 C:118 13.87 -10.73 C:63 8.49 -13.73 C:31 9.89 -13.58 C:33 10.49 -12.30 C:35 12.23 -8.44 C:26 18.90 -13.20 C:36 20.85 -10.74 C:36 17.47 -8.57 O 18.57 -8.95 O 22.47 -12.57 O 14.46 -7.17 C:170 18.57 -7.54 C:136 11.63 -9.71 C:139 21.03 -14.34 C:170 22.38 -13.95 C:134 16.54 -12.09 C:179 15.84 -7.62 C:145 12.46 -10.87 C:137 18.07 -12.09 C:34 11.89 -12.17 C:30 19.59 -10.10 C:82 17.19 -9.94 C:55 16.09 -10.81 C:75 13.64 -8.31 C:82 21.18 -12.09 C:45 20.28 -13.20 C:43 14.46 -9.44 C:62 18.37 -10.73 C:57 15.84 -9.01 38 1 -2 39 2 -1 40 3 -2 41 4 -2 5 27 2 6 28 2 7 26 1 8 30 1 34 9 -1 35 10 -1 11 26 2 12 29 2 13 31 2 14 16 1 15 32 2 15 41 1 16 17 1 17 18 1 18 34 1 19 27 1 19 38 1 20 33 1 20 40 1 21 35 1 21 39 1 42 22 -2 22 43 1 23 26 1 36 23 -1 24 29 1 24 39 1 25 31 1 25 38 1 27 32 1 28 29 1 28 40 1 30 33 2 30 37 1 31 43 1 32 34 1 33 42 1 35 42 1 36 37 1 36 42 1 37 43 -2 38 41 1 39 40 1 41 43 1', 'C32H40O7', 536.37, 'M', 'pm06_40_3', 1026, '', '', '1', 35, NULL, NULL),
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(7982, 'Lushanrubescensin G', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]12[C@H:6](O)[C@:7]4(O)O[CH2:20][C@:10]1([C@@H:1](O)[CH2:2][CH2:3][C@:4]2([CH3:19])[CH3:18])[C@:9]3([H])[C@@H:11](O)[CH2:12][C@H:13]5[CH2:14][C@@:8]34[C:15](=O)[C@:16]5(O)[CH2:17]O', '[H][C@]12[C@H](O)[C@]4(O)OC[C@]1([C@@H](O)CC[C@]2(C)C)[C@]3([H])[C@@H](O)C[C@H]5C[C@@]34C(=O)[C@]5(O)CO', '[H][C@:61]12[C@H:75](O)[C@:96]4(O)O[CH2:65][C@:43]1([C@@H:73](O)[CH2:29][CH2:40][C@:34]2([CH3:23])[CH3:33])[C@:58]3([H])[C@@H:64](O)[CH2:32][C@H:38]5[CH2:27][C@@:61]34[C:223](=O)[C@:83]5(O)[CH2:64]O', '30 34 H 13.16 -13.18 H 15.14 -9.46 C:19 10.96 -13.83 C:18 12.89 -13.92 O 17.73 -12.36 O 20.29 -9.87 O 11.92 -8.76 O 13.17 -8.07 O 14.38 -14.27 O 18.74 -8.64 O 16.75 -12.86 C:17 19.04 -10.50 C:2 10.76 -10.82 C:3 10.76 -12.19 C:20 13.14 -9.46 C:12 15.54 -8.06 C:14 16.73 -10.13 O 14.36 -11.54 C:15 17.08 -11.12 C:1 11.94 -10.13 C:11 14.36 -8.75 C:13 16.73 -8.75 C:6 14.36 -12.91 C:4 11.94 -12.91 C:5 13.14 -12.19 C:9 14.36 -10.13 C:16 17.86 -9.73 C:7 15.54 -12.19 C:8 15.54 -10.82 C:10 13.14 -10.82 25 1 -1 26 2 -1 24 3 -2 24 4 -1 5 19 2 6 12 1 20 7 -2 21 8 -1 23 9 -1 27 10 -2 28 11 -1 27 12 -1 13 14 1 13 20 1 14 24 1 15 18 1 30 15 -2 16 21 1 16 22 1 22 17 -2 29 17 -2 18 28 1 19 27 1 19 29 1 20 30 1 21 26 1 22 27 1 23 25 1 23 28 1 24 25 1 25 30 1 26 29 1 26 30 1 28 29 1', '30 34 H 13.16 -13.18 H 15.14 -9.46 C 10.96 -13.83 C 12.89 -13.92 O 17.73 -12.36 O 20.29 -9.87 O 11.92 -8.76 O 13.17 -8.07 O 14.38 -14.27 O 18.74 -8.64 O 16.75 -12.86 C 19.04 -10.50 C 10.76 -10.82 C 10.76 -12.19 C 13.14 -9.46 C 15.54 -8.06 C 16.73 -10.13 O 14.36 -11.54 C 17.08 -11.12 C 11.94 -10.13 C 14.36 -8.75 C 16.73 -8.75 C 14.36 -12.91 C 11.94 -12.91 C 13.14 -12.19 C 14.36 -10.13 C 17.86 -9.73 C 15.54 -12.19 C 15.54 -10.82 C 13.14 -10.82 25 1 -1 26 2 -1 24 3 -2 24 4 -1 5 19 2 6 12 1 20 7 -2 21 8 -1 23 9 -1 27 10 -2 28 11 -1 27 12 -1 13 14 1 13 20 1 14 24 1 15 18 1 30 15 -2 16 21 1 16 22 1 22 17 -2 29 17 -2 18 28 1 19 27 1 19 29 1 20 30 1 21 26 1 22 27 1 23 25 1 23 28 1 24 25 1 25 30 1 26 29 1 26 30 1 28 29 1', '30 34 H 13.16 -13.18 H 15.14 -9.46 C:23 10.96 -13.83 C:33 12.89 -13.92 O 17.73 -12.36 O 20.29 -9.87 O 11.92 -8.76 O 13.17 -8.07 O 14.38 -14.27 O 18.74 -8.64 O 16.75 -12.86 C:64 19.04 -10.50 C:29 10.76 -10.82 C:40 10.76 -12.19 C:65 13.14 -9.46 C:32 15.54 -8.06 C:27 16.73 -10.13 O 14.36 -11.54 C:223 17.08 -11.12 C:73 11.94 -10.13 C:64 14.36 -8.75 C:38 16.73 -8.75 C:75 14.36 -12.91 C:34 11.94 -12.91 C:61 13.14 -12.19 C:58 14.36 -10.13 C:83 17.86 -9.73 C:96 15.54 -12.19 C:61 15.54 -10.82 C:43 13.14 -10.82 25 1 -1 26 2 -1 24 3 -2 24 4 -1 5 19 2 6 12 1 20 7 -2 21 8 -1 23 9 -1 27 10 -2 28 11 -1 27 12 -1 13 14 1 13 20 1 14 24 1 15 18 1 30 15 -2 16 21 1 16 22 1 22 17 -2 29 17 -2 18 28 1 19 27 1 19 29 1 20 30 1 21 26 1 22 27 1 23 25 1 23 28 1 24 25 1 25 30 1 26 29 1 26 30 1 28 29 1', 'C20H30O8', 398.225, 'P', 'cpb03_790_2', 812, '', '', '1', 36, 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
(7984, 'Lushanrubescensin I', '', 'Terpenoids', 'Diterpenoids', 'Trichorabales', '[H][C@@:9]12[C@@H:11](O)[CH2:12][C@H:13]4[CH2:14][C@@:8]1([C:7](=O)O[CH2:20][C@:10]23[C@@H:1](O)[CH2:2][CH2:3][C@@:4]([CH3:18])([CH3:19])[C@H:5]3[CH:6]=O)[C@H:15](O[C:15001]([CH3:15002])=O)[C:16]4=[CH2:17]', '[H][C@@]12[C@@H](O)C[C@H]4C[C@@]1(C(=O)OC[C@]23[C@@H](O)CC[C@@](C)(C)[C@H]3C=O)[C@H](OC(C)=O)C4=C', '[H][C@@:43]12[C@@H:66](O)[CH2:45][C@H:36]4[CH2:31][C@@:53]1([C:175](=O)O[CH2:67][C@:44]23[C@@H:76](O)[CH2:24][CH2:40][C@@:34]([CH3:33])([CH3:24])[C@H:62]3[CH:205]=O)[C@H:84](O[C:170]([CH3:21])=O)[C:160]4=[CH2:110]', '30 33 H 15.45 -9.55 C:17 19.40 -9.45 C:15002 19.99 -13.59 C:18 13.20 -13.86 C:19 11.31 -13.77 O 14.64 -14.21 O 19.98 -11.17 O 16.63 -13.30 O 12.27 -8.75 O 13.43 -8.09 C:6 14.64 -12.87 C:2 11.12 -10.84 C:3 11.12 -12.17 C:20 13.45 -9.50 C:12 15.81 -8.11 C:14 16.96 -10.15 O 14.51 -11.71 O 17.88 -12.40 C:15001 19.28 -12.39 C:16 18.08 -9.76 C:7 15.81 -12.17 C:1 12.27 -10.15 C:11 14.64 -8.79 C:13 16.96 -8.79 C:5 13.45 -12.17 C:15 17.31 -11.12 C:4 12.27 -12.87 C:9 14.64 -10.15 C:8 15.81 -10.84 C:10 13.45 -10.84 28 1 -1 2 20 2 3 19 1 27 4 -1 27 5 -2 6 11 2 7 19 2 8 21 2 22 9 -2 23 10 -1 25 11 -2 12 13 1 12 22 1 13 27 1 14 17 1 30 14 -2 15 23 1 15 24 1 24 16 -2 29 16 -2 17 21 1 18 19 1 26 18 -1 20 24 1 20 26 1 21 29 1 22 30 1 23 28 1 25 27 1 25 30 1 26 29 1 28 29 1 28 30 1', '30 33 H 15.45 -9.55 C 19.40 -9.45 C 19.99 -13.59 C 13.20 -13.86 C 11.31 -13.77 O 14.64 -14.21 O 19.98 -11.17 O 16.63 -13.30 O 12.27 -8.75 O 13.43 -8.09 C 14.64 -12.87 C 11.12 -10.84 C 11.12 -12.17 C 13.45 -9.50 C 15.81 -8.11 C 16.96 -10.15 O 14.51 -11.71 O 17.88 -12.40 C 19.28 -12.39 C 18.08 -9.76 C 15.81 -12.17 C 12.27 -10.15 C 14.64 -8.79 C 16.96 -8.79 C 13.45 -12.17 C 17.31 -11.12 C 12.27 -12.87 C 14.64 -10.15 C 15.81 -10.84 C 13.45 -10.84 28 1 -1 2 20 2 3 19 1 27 4 -1 27 5 -2 6 11 2 7 19 2 8 21 2 22 9 -2 23 10 -1 25 11 -2 12 13 1 12 22 1 13 27 1 14 17 1 30 14 -2 15 23 1 15 24 1 24 16 -2 29 16 -2 17 21 1 18 19 1 26 18 -1 20 24 1 20 26 1 21 29 1 22 30 1 23 28 1 25 27 1 25 30 1 26 29 1 28 29 1 28 30 1', '30 33 H 15.45 -9.55 C:110 19.40 -9.45 C:21 19.99 -13.59 C:33 13.20 -13.86 C:24 11.31 -13.77 O 14.64 -14.21 O 19.98 -11.17 O 16.63 -13.30 O 12.27 -8.75 O 13.43 -8.09 C:205 14.64 -12.87 C:24 11.12 -10.84 C:40 11.12 -12.17 C:67 13.45 -9.50 C:45 15.81 -8.11 C:31 16.96 -10.15 O 14.51 -11.71 O 17.88 -12.40 C:170 19.28 -12.39 C:160 18.08 -9.76 C:175 15.81 -12.17 C:76 12.27 -10.15 C:66 14.64 -8.79 C:36 16.96 -8.79 C:62 13.45 -12.17 C:84 17.31 -11.12 C:34 12.27 -12.87 C:43 14.64 -10.15 C:53 15.81 -10.84 C:44 13.45 -10.84 28 1 -1 2 20 2 3 19 1 27 4 -1 27 5 -2 6 11 2 7 19 2 8 21 2 22 9 -2 23 10 -1 25 11 -2 12 13 1 12 22 1 13 27 1 14 17 1 30 14 -2 15 23 1 15 24 1 24 16 -2 29 16 -2 17 21 1 18 19 1 26 18 -1 20 24 1 20 26 1 21 29 1 22 30 1 23 28 1 25 27 1 25 30 1 26 29 1 28 29 1 28 30 1', 'C22H30O7', 406.239, 'P', 'cpb03_790_4', 812, '', '', '1', 36, NULL, NULL),
(7985, '', 'ent-1a-Acetoxy-7b,14a-dihydroxy-kaur-16-en-15-on', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@H:13]4[C:16](=[CH2:17])[C:15](=O)[C@:8]1([C@H:7](O)[CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][C@@H:1](O[C:1001]([CH3:1002])=O)[C@@:10]23[CH3:20])[C@@H:14]4O', '[H][C@@]12CC[C@@H]4C(=C)C(=O)[C@]1([C@H](O)C[C@]3([H])[C@@](C)(C)CC[C@@H](OC(C)=O)[C@@]23C)[C@@H]4O', '[H][C@@:46]12[CH2:17][CH2:31][C@@H:46]4[C:148](=[CH2:117])[C:207](=O)[C@:60]1([C@H:73](O)[CH2:29][C@:47]3([H])[C@@:33]([CH3:21])([CH3:33])[CH2:35][CH2:22][C@@H:72](O[C:170]([CH3:21])=O)[C@@:42]23[CH3:18])[C@@H:74]4O', '29 32 H 15.50 -11.94 H 14.29 -14.05 C:17 20.42 -10.21 C:1002 10.68 -9.53 C:19 12.05 -14.71 C:18 14.02 -14.80 C:20 14.27 -10.26 O 11.90 -7.46 O 18.83 -13.22 O 17.92 -13.71 O 19.52 -11.64 C:12 16.71 -8.85 C:2 11.85 -11.67 C:3 11.85 -13.05 C:11 15.50 -9.55 C:6 15.50 -13.77 O 13.08 -9.56 C:1001 11.90 -8.84 C:16 19.06 -10.54 C:15 18.26 -11.96 C:7 16.71 -13.05 C:13 17.91 -9.55 C:1 13.05 -10.96 C:14 17.91 -10.96 C:4 13.05 -13.77 C:9 15.50 -10.96 C:5 14.27 -13.05 C:10 14.27 -11.67 C:8 16.71 -11.67 26 1 -1 27 2 -1 3 19 2 4 18 1 25 5 -2 25 6 -1 28 7 -2 8 18 2 9 20 2 21 10 -2 24 11 -1 12 15 1 12 22 1 13 14 1 13 23 1 14 25 1 15 26 1 16 21 1 16 27 1 17 18 1 23 17 -1 19 20 1 19 22 1 20 29 1 21 29 1 22 24 -2 23 28 1 29 24 -2 25 27 1 26 28 1 26 29 1 27 28 1', '29 32 H 15.50 -11.94 H 14.29 -14.05 C 20.42 -10.21 C 10.68 -9.53 C 12.05 -14.71 C 14.02 -14.80 C 14.27 -10.26 O 11.90 -7.46 O 18.83 -13.22 O 17.92 -13.71 O 19.52 -11.64 C 16.71 -8.85 C 11.85 -11.67 C 11.85 -13.05 C 15.50 -9.55 C 15.50 -13.77 O 13.08 -9.56 C 11.90 -8.84 C 19.06 -10.54 C 18.26 -11.96 C 16.71 -13.05 C 17.91 -9.55 C 13.05 -10.96 C 17.91 -10.96 C 13.05 -13.77 C 15.50 -10.96 C 14.27 -13.05 C 14.27 -11.67 C 16.71 -11.67 26 1 -1 27 2 -1 3 19 2 4 18 1 25 5 -2 25 6 -1 28 7 -2 8 18 2 9 20 2 21 10 -2 24 11 -1 12 15 1 12 22 1 13 14 1 13 23 1 14 25 1 15 26 1 16 21 1 16 27 1 17 18 1 23 17 -1 19 20 1 19 22 1 20 29 1 21 29 1 22 24 -2 23 28 1 29 24 -2 25 27 1 26 28 1 26 29 1 27 28 1', '29 32 H 15.50 -11.94 H 14.29 -14.05 C:117 20.42 -10.21 C:21 10.68 -9.53 C:21 12.05 -14.71 C:33 14.02 -14.80 C:18 14.27 -10.26 O 11.90 -7.46 O 18.83 -13.22 O 17.92 -13.71 O 19.52 -11.64 C:31 16.71 -8.85 C:22 11.85 -11.67 C:35 11.85 -13.05 C:17 15.50 -9.55 C:29 15.50 -13.77 O 13.08 -9.56 C:170 11.90 -8.84 C:148 19.06 -10.54 C:207 18.26 -11.96 C:73 16.71 -13.05 C:46 17.91 -9.55 C:72 13.05 -10.96 C:74 17.91 -10.96 C:33 13.05 -13.77 C:46 15.50 -10.96 C:47 14.27 -13.05 C:42 14.27 -11.67 C:60 16.71 -11.67 26 1 -1 27 2 -1 3 19 2 4 18 1 25 5 -2 25 6 -1 28 7 -2 8 18 2 9 20 2 21 10 -2 24 11 -1 12 15 1 12 22 1 13 14 1 13 23 1 14 25 1 15 26 1 16 21 1 16 27 1 17 18 1 23 17 -1 19 20 1 19 22 1 20 29 1 21 29 1 22 24 -2 23 28 1 29 24 -2 25 27 1 26 28 1 26 29 1 27 28 1', 'C22H32O5', 376.248, 'P', 'cpb03_590_1', 1525, '', '', '1', 36, NULL, NULL),
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