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
(8666, 'Sarcodictyin A', '', 'Terpenoids', 'Diterpenoids', 'Eunicellanes', '[H][C@:1]34[CH:2]=[C:3]([C:15](=O)O[CH3:15001])[C@@:4]1(O)[CH:5]=[CH:6][C@:7]([CH3:16])(O1)[C@@H:8](O[C:101](=O)[CH:102]=[CH:103][c:104]2[cH:105]n([CH3:107])[cH:106]n2)[CH2:9][C@@:10]3([H])[C:11]([CH3:17])=[CH:12][CH2:13][C@@H:14]4[CH:18]([CH3:20])[CH3:19]', '[H][C@]34C=C(C(=O)OC)[C@@]1(O)C=C[C@](C)(O1)[C@@H](OC(=O)C=Cc2cn(C)cn2)C[C@@]3([H])C(C)=CC[C@@H]4C(C)C', '[H][C@:35]34[CH:144]=[C:136]([C:168](=O)O[CH3:52])[C@@:112]1(O)[CH:135]=[CH:133][C@:90]([CH3:26])(O1)[C@@H:82](O[C:167](=O)[CH:115]=[CH:138][c:138]2[cH:125]n([CH3:33])[cH:140]n2)[CH2:32][C@@:39]3([H])[C:134]([CH3:22])=[CH:122][CH2:25][C@@H:42]4[CH:29]([CH3:22])[CH3:20]', '38 41 H 14.21 -15.90 H 14.21 -12.37 C:15001 16.64 -19.69 C:17 13.00 -11.33 C:20 11.79 -17.63 C:19 14.21 -17.64 C:107 17.57 -2.60 C:16 18.55 -11.69 O 15.26 -9.90 O 18.50 -17.60 O 18.60 -16.56 C:102 17.37 -8.64 C:103 16.69 -7.45 C:6 19.31 -13.40 C:5 19.31 -14.89 C:12 11.79 -13.44 C:2 15.19 -15.99 C:106 18.96 -4.69 C:105 16.69 -4.96 C:13 11.79 -14.83 C:9 15.19 -12.29 N 18.69 -6.06 O 16.21 -18.36 O 17.37 -11.07 O 16.92 -14.13 C:101 16.64 -9.87 C:11 13.00 -12.73 C:15 17.12 -17.31 C:3 16.69 -15.99 C:104 17.29 -6.23 C:18 13.00 -16.92 C:8 16.69 -12.29 C:14 13.00 -15.53 N 17.73 -4.00 C:7 17.84 -12.90 C:1 14.21 -14.90 C:10 14.21 -13.37 C:4 17.84 -15.39 36 1 -1 37 2 -1 3 23 1 4 27 1 5 31 1 6 31 1 7 34 1 35 8 -1 9 26 2 10 28 2 38 11 -1 12 13 2 12 26 1 13 30 1 14 15 2 14 35 1 15 38 1 16 20 1 16 27 2 17 29 2 17 36 1 18 22 2 18 34 1 19 30 2 19 34 1 20 33 1 21 32 1 21 37 1 22 30 1 23 28 1 24 26 1 32 24 -2 25 35 1 25 38 1 27 37 1 28 29 1 29 38 1 33 31 -1 32 35 1 33 36 1 36 37 1', '38 41 H 14.21 -15.90 H 14.21 -12.37 C 16.64 -19.69 C 13.00 -11.33 C 11.79 -17.63 C 14.21 -17.64 C 17.57 -2.60 C 18.55 -11.69 O 15.26 -9.90 O 18.50 -17.60 O 18.60 -16.56 C 17.37 -8.64 C 16.69 -7.45 C 19.31 -13.40 C 19.31 -14.89 C 11.79 -13.44 C 15.19 -15.99 C 18.96 -4.69 C 16.69 -4.96 C 11.79 -14.83 C 15.19 -12.29 N 18.69 -6.06 O 16.21 -18.36 O 17.37 -11.07 O 16.92 -14.13 C 16.64 -9.87 C 13.00 -12.73 C 17.12 -17.31 C 16.69 -15.99 C 17.29 -6.23 C 13.00 -16.92 C 16.69 -12.29 C 13.00 -15.53 N 17.73 -4.00 C 17.84 -12.90 C 14.21 -14.90 C 14.21 -13.37 C 17.84 -15.39 36 1 -1 37 2 -1 3 23 1 4 27 1 5 31 1 6 31 1 7 34 1 35 8 -1 9 26 2 10 28 2 38 11 -1 12 13 2 12 26 1 13 30 1 14 15 2 14 35 1 15 38 1 16 20 1 16 27 2 17 29 2 17 36 1 18 22 2 18 34 1 19 30 2 19 34 1 20 33 1 21 32 1 21 37 1 22 30 1 23 28 1 24 26 1 32 24 -2 25 35 1 25 38 1 27 37 1 28 29 1 29 38 1 33 31 -1 32 35 1 33 36 1 36 37 1', '38 41 H 14.21 -15.90 H 14.21 -12.37 C:52 16.64 -19.69 C:22 13.00 -11.33 C:22 11.79 -17.63 C:20 14.21 -17.64 C:33 17.57 -2.60 C:26 18.55 -11.69 O 15.26 -9.90 O 18.50 -17.60 O 18.60 -16.56 C:115 17.37 -8.64 C:138 16.69 -7.45 C:133 19.31 -13.40 C:135 19.31 -14.89 C:122 11.79 -13.44 C:144 15.19 -15.99 C:140 18.96 -4.69 C:125 16.69 -4.96 C:25 11.79 -14.83 C:32 15.19 -12.29 N 18.69 -6.06 O 16.21 -18.36 O 17.37 -11.07 O 16.92 -14.13 C:167 16.64 -9.87 C:134 13.00 -12.73 C:168 17.12 -17.31 C:136 16.69 -15.99 C:138 17.29 -6.23 C:29 13.00 -16.92 C:82 16.69 -12.29 C:42 13.00 -15.53 N 17.73 -4.00 C:90 17.84 -12.90 C:35 14.21 -14.90 C:39 14.21 -13.37 C:112 17.84 -15.39 36 1 -1 37 2 -1 3 23 1 4 27 1 5 31 1 6 31 1 7 34 1 35 8 -1 9 26 2 10 28 2 38 11 -1 12 13 2 12 26 1 13 30 1 14 15 2 14 35 1 15 38 1 16 20 1 16 27 2 17 29 2 17 36 1 18 22 2 18 34 1 19 30 2 19 34 1 20 33 1 21 32 1 21 37 1 22 30 1 23 28 1 24 26 1 32 24 -2 25 35 1 25 38 1 27 37 1 28 29 1 29 38 1 33 31 -1 32 35 1 33 36 1 36 37 1', 'C28H36N2O6', 496.325, 'P', 'np96_873_1', 1111, '', '', '1', 29, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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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(8702, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:5]12[C:4](=[CH2:15])[CH2:3][CH2:2][C@H:1](O)[C@@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:7]([C:11]([CH3:12])=O)[C@H:6]2O[C:6001](=O)[CH:6002]=[CH:6003][C:6004]([CH3:6005])([CH3:6401])O', '[H][C@@]12C(=C)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)=O)[C@H]2OC(=O)C=CC(C)(C)O', '[H][C@@:46]12[C:144](=[CH2:108])[CH2:35][CH2:32][C@H:78](O)[C@@:42]1([CH3:11])[CH2:31][CH2:22][C@@H:48]([C:210]([CH3:32])=O)[C@H:70]2O[C:167](=O)[CH:118]=[CH:156][C:71]([CH3:29])([CH3:29])O', '26 27 H 13.80 -11.10 C:15 12.58 -12.22 C:12 18.72 -10.08 C:6005 19.86 -13.66 C:6401 18.60 -15.73 C:14 13.80 -7.23 O 17.50 -12.22 O 13.80 -14.27 O 12.58 -6.54 O 19.79 -15.06 C:6002 16.21 -14.30 C:6003 17.43 -13.63 C:3 11.32 -10.08 C:2 11.32 -8.65 C:8 16.26 -8.65 C:9 15.01 -7.94 O 15.01 -12.19 C:11 17.50 -10.79 C:4 12.58 -10.79 C:6001 15.01 -13.59 C:1 12.58 -7.94 C:7 16.21 -10.08 C:6 15.01 -10.79 C:6004 18.60 -14.33 C:5 13.80 -10.08 C:10 13.80 -8.65 25 1 -1 2 19 2 3 18 1 4 24 1 5 24 1 26 6 -2 7 18 2 8 20 2 21 9 -2 10 24 1 11 12 2 11 20 1 12 24 1 13 14 1 13 19 1 14 21 1 15 16 1 15 22 1 16 26 1 17 20 1 23 17 -1 22 18 -1 19 25 1 21 26 1 22 23 1 23 25 1 25 26 1', '26 27 H 13.80 -11.10 C 12.58 -12.22 C 18.72 -10.08 C 19.86 -13.66 C 18.60 -15.73 C 13.80 -7.23 O 17.50 -12.22 O 13.80 -14.27 O 12.58 -6.54 O 19.79 -15.06 C 16.21 -14.30 C 17.43 -13.63 C 11.32 -10.08 C 11.32 -8.65 C 16.26 -8.65 C 15.01 -7.94 O 15.01 -12.19 C 17.50 -10.79 C 12.58 -10.79 C 15.01 -13.59 C 12.58 -7.94 C 16.21 -10.08 C 15.01 -10.79 C 18.60 -14.33 C 13.80 -10.08 C 13.80 -8.65 25 1 -1 2 19 2 3 18 1 4 24 1 5 24 1 26 6 -2 7 18 2 8 20 2 21 9 -2 10 24 1 11 12 2 11 20 1 12 24 1 13 14 1 13 19 1 14 21 1 15 16 1 15 22 1 16 26 1 17 20 1 23 17 -1 22 18 -1 19 25 1 21 26 1 22 23 1 23 25 1 25 26 1', '26 27 H 13.80 -11.10 C:108 12.58 -12.22 C:32 18.72 -10.08 C:29 19.86 -13.66 C:29 18.60 -15.73 C:11 13.80 -7.23 O 17.50 -12.22 O 13.80 -14.27 O 12.58 -6.54 O 19.79 -15.06 C:118 16.21 -14.30 C:156 17.43 -13.63 C:35 11.32 -10.08 C:32 11.32 -8.65 C:22 16.26 -8.65 C:31 15.01 -7.94 O 15.01 -12.19 C:210 17.50 -10.79 C:144 12.58 -10.79 C:167 15.01 -13.59 C:78 12.58 -7.94 C:48 16.21 -10.08 C:70 15.01 -10.79 C:71 18.60 -14.33 C:46 13.80 -10.08 C:42 13.80 -8.65 25 1 -1 2 19 2 3 18 1 4 24 1 5 24 1 26 6 -2 7 18 2 8 20 2 21 9 -2 10 24 1 11 12 2 11 20 1 12 24 1 13 14 1 13 19 1 14 21 1 15 16 1 15 22 1 16 26 1 17 20 1 23 17 -1 22 18 -1 19 25 1 21 26 1 22 23 1 23 25 1 25 26 1', 'C20H30O5', 350.219, 'C', 'np05_1354_5', 708, '', '', '1', 10, NULL, NULL),
(8703, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:13]=[C:10]1[CH2:9][CH2:8][C@@H:7]([C:11]([CH3:12])=O)[C@@H:6](O[C:6001](=O)[CH:6002]=[CH:6003][C:6004]([CH3:6401])([CH3:6005])O)[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@H:1]1O', 'C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)C=CC(C)(C)O)C=C(C)CC[C@@H]1O', '[CH2:112]=[C:152]1[CH2:34][CH2:20][C@@H:52]([C:208]([CH3:29])=O)[C@@H:72](O[C:166](=O)[CH:118]=[CH:155][C:71]([CH3:29])([CH3:29])O)[CH:126]=[C:135]([CH3:17])[CH2:37][CH2:34][C@@H:74]1O', '25 25 C:13 16.72 -5.45 C:12 19.40 -11.13 C:14 12.89 -9.93 C:6401 14.18 -16.18 C:6005 11.76 -16.18 O 17.30 -12.31 O 12.91 -11.39 O 15.80 -6.11 O 12.97 -16.88 C:6002 14.18 -13.38 C:6003 12.97 -14.08 C:5 15.17 -8.81 C:3 13.29 -7.53 C:9 18.02 -7.46 C:2 14.33 -6.67 C:8 18.27 -8.81 O 15.60 -11.24 C:11 18.02 -11.13 C:4 13.69 -8.81 C:10 16.72 -6.86 C:6001 14.18 -11.98 C:1 15.49 -7.46 C:6 16.03 -9.93 C:7 17.42 -9.93 C:6004 12.97 -15.48 1 20 2 2 18 1 3 19 1 4 25 1 5 25 1 6 18 2 7 21 2 22 8 -2 9 25 1 10 11 2 10 21 1 11 25 1 12 19 2 12 23 1 13 15 1 13 19 1 14 16 1 14 20 1 15 22 1 16 24 1 17 21 1 23 17 -1 24 18 -1 20 22 1 23 24 1', '25 25 C 16.72 -5.45 C 19.40 -11.13 C 12.89 -9.93 C 14.18 -16.18 C 11.76 -16.18 O 17.30 -12.31 O 12.91 -11.39 O 15.80 -6.11 O 12.97 -16.88 C 14.18 -13.38 C 12.97 -14.08 C 15.17 -8.81 C 13.29 -7.53 C 18.02 -7.46 C 14.33 -6.67 C 18.27 -8.81 O 15.60 -11.24 C 18.02 -11.13 C 13.69 -8.81 C 16.72 -6.86 C 14.18 -11.98 C 15.49 -7.46 C 16.03 -9.93 C 17.42 -9.93 C 12.97 -15.48 1 20 2 2 18 1 3 19 1 4 25 1 5 25 1 6 18 2 7 21 2 22 8 -2 9 25 1 10 11 2 10 21 1 11 25 1 12 19 2 12 23 1 13 15 1 13 19 1 14 16 1 14 20 1 15 22 1 16 24 1 17 21 1 23 17 -1 24 18 -1 20 22 1 23 24 1', '25 25 C:112 16.72 -5.45 C:29 19.40 -11.13 C:17 12.89 -9.93 C:29 14.18 -16.18 C:29 11.76 -16.18 O 17.30 -12.31 O 12.91 -11.39 O 15.80 -6.11 O 12.97 -16.88 C:118 14.18 -13.38 C:155 12.97 -14.08 C:126 15.17 -8.81 C:37 13.29 -7.53 C:34 18.02 -7.46 C:34 14.33 -6.67 C:20 18.27 -8.81 O 15.60 -11.24 C:208 18.02 -11.13 C:135 13.69 -8.81 C:152 16.72 -6.86 C:166 14.18 -11.98 C:74 15.49 -7.46 C:72 16.03 -9.93 C:52 17.42 -9.93 C:71 12.97 -15.48 1 20 2 2 18 1 3 19 1 4 25 1 5 25 1 6 18 2 7 21 2 22 8 -2 9 25 1 10 11 2 10 21 1 11 25 1 12 19 2 12 23 1 13 15 1 13 19 1 14 16 1 14 20 1 15 22 1 16 24 1 17 21 1 23 17 -1 24 18 -1 20 22 1 23 24 1', 'C20H30O5', 350.211, 'C', 'np05_1354_6', 708, '', '', '1', 10, NULL, NULL),
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(8717, 'Cardivin B', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:8]12O[C:12](=O)[C:11](=[CH2:13])[C@@:7]1([H])[C@H:6](O[C:6001](=O)[CH:6002]([CH3:6201])[CH2:6003][CH3:6004])[C:5](=O)[C@@H:4]([CH3:15])[CH2:3][C@H:2](O)[CH2:1][C@@:10]([CH3:14])(O)[C@H:9]2O[C:9001](=O)[CH:9002]([CH3:9201])[CH3:9003]', '[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](OC(=O)C(C)CC)C(=O)[C@@H](C)C[C@H](O)C[C@@](C)(O)[C@H]2OC(=O)C(C)C', '[H][C@@:79]12O[C:168](=O)[C:133](=[CH2:125])[C@@:42]1([H])[C@H:79](O[C:178](=O)[CH:41]([CH3:17])[CH2:27][CH3:12])[C:215](=O)[C@@H:30]([CH3:21])[CH2:26][C@H:72](O)[CH2:34][C@@:81]([CH3:26])(O)[C@H:79]2O[C:174](=O)[CH:34]([CH3:19])[CH3:19]', '35 36 H 17.25 -9.64 H 15.63 -10.69 C:13 16.17 -14.20 C:6004 9.87 -15.85 C:9201 19.69 -6.44 C:9003 21.22 -8.33 C:6201 12.66 -15.58 C:15 11.06 -11.75 C:14 15.79 -7.23 O 19.20 -13.34 O 19.04 -10.11 O 11.62 -12.43 O 12.80 -11.75 O 12.60 -6.88 O 14.38 -7.26 C:6003 10.45 -14.58 C:3 11.44 -9.19 C:1 13.81 -9.11 O 13.81 -13.03 O 17.51 -8.22 O 18.05 -11.06 C:11 16.68 -12.86 C:12 18.05 -12.49 C:9001 18.83 -8.72 C:6001 12.42 -13.18 C:5 13.50 -10.55 C:9002 19.92 -7.83 C:6002 11.84 -14.44 C:4 11.92 -10.55 C:2 12.60 -8.28 C:6 14.38 -11.75 C:9 16.43 -9.11 C:10 15.11 -8.47 C:8 16.77 -10.55 C:7 15.84 -11.75 34 1 -1 35 2 -2 3 22 2 4 16 1 5 27 1 6 27 1 7 28 1 29 8 -1 33 9 -2 10 23 2 11 24 2 12 25 2 13 26 2 30 14 -2 33 15 -1 16 28 1 17 29 1 17 30 1 18 30 1 18 33 1 19 25 1 31 19 -2 20 24 1 32 20 -1 21 23 1 21 34 1 22 23 1 22 35 1 24 27 1 25 28 1 26 29 1 26 31 1 31 35 1 32 33 1 32 34 1 34 35 1', '35 36 H 17.25 -9.64 H 15.63 -10.69 C 16.17 -14.20 C 9.87 -15.85 C 19.69 -6.44 C 21.22 -8.33 C 12.66 -15.58 C 11.06 -11.75 C 15.79 -7.23 O 19.20 -13.34 O 19.04 -10.11 O 11.62 -12.43 O 12.80 -11.75 O 12.60 -6.88 O 14.38 -7.26 C 10.45 -14.58 C 11.44 -9.19 C 13.81 -9.11 O 13.81 -13.03 O 17.51 -8.22 O 18.05 -11.06 C 16.68 -12.86 C 18.05 -12.49 C 18.83 -8.72 C 12.42 -13.18 C 13.50 -10.55 C 19.92 -7.83 C 11.84 -14.44 C 11.92 -10.55 C 12.60 -8.28 C 14.38 -11.75 C 16.43 -9.11 C 15.11 -8.47 C 16.77 -10.55 C 15.84 -11.75 34 1 -1 35 2 -2 3 22 2 4 16 1 5 27 1 6 27 1 7 28 1 29 8 -1 33 9 -2 10 23 2 11 24 2 12 25 2 13 26 2 30 14 -2 33 15 -1 16 28 1 17 29 1 17 30 1 18 30 1 18 33 1 19 25 1 31 19 -2 20 24 1 32 20 -1 21 23 1 21 34 1 22 23 1 22 35 1 24 27 1 25 28 1 26 29 1 26 31 1 31 35 1 32 33 1 32 34 1 34 35 1', '35 36 H 17.25 -9.64 H 15.63 -10.69 C:125 16.17 -14.20 C:12 9.87 -15.85 C:19 19.69 -6.44 C:19 21.22 -8.33 C:17 12.66 -15.58 C:21 11.06 -11.75 C:26 15.79 -7.23 O 19.20 -13.34 O 19.04 -10.11 O 11.62 -12.43 O 12.80 -11.75 O 12.60 -6.88 O 14.38 -7.26 C:27 10.45 -14.58 C:26 11.44 -9.19 C:34 13.81 -9.11 O 13.81 -13.03 O 17.51 -8.22 O 18.05 -11.06 C:133 16.68 -12.86 C:168 18.05 -12.49 C:174 18.83 -8.72 C:178 12.42 -13.18 C:215 13.50 -10.55 C:34 19.92 -7.83 C:41 11.84 -14.44 C:30 11.92 -10.55 C:72 12.60 -8.28 C:79 14.38 -11.75 C:79 16.43 -9.11 C:81 15.11 -8.47 C:79 16.77 -10.55 C:42 15.84 -11.75 34 1 -1 35 2 -2 3 22 2 4 16 1 5 27 1 6 27 1 7 28 1 29 8 -1 33 9 -2 10 23 2 11 24 2 12 25 2 13 26 2 30 14 -2 33 15 -1 16 28 1 17 29 1 17 30 1 18 30 1 18 33 1 19 25 1 31 19 -2 20 24 1 32 20 -1 21 23 1 21 34 1 22 23 1 22 35 1 24 27 1 25 28 1 26 29 1 26 31 1 31 35 1 32 33 1 32 34 1 34 35 1', 'C24H36O9', 468.267, 'C', 'np97_1199_2', 1127, '', '', '1', 33, 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
(8718, 'Cardivin C', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:8]12O[C:12](=O)[C:11](=[CH2:13])[C@@:7]1([H])[C@H:6](O[C:6001](=O)[CH:6002]([CH3:6003])[CH3:6201])[C:5](=O)[C@@H:4]([CH3:15])[CH2:3][C@H:2](O)[CH2:1][C@@:10]([CH3:14])(O)[C@H:9]2O[C:9001](=O)[C:9002]([CH3:9201])=[CH:9003][CH3:9004]', '[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](OC(=O)C(C)C)C(=O)[C@@H](C)C[C@H](O)C[C@@](C)(O)[C@H]2OC(=O)C(C)=CC', '[H][C@@:79]12O[C:168](=O)[C:133](=[CH2:125])[C@@:42]1([H])[C@H:79](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C:215](=O)[C@@H:30]([CH3:21])[CH2:26][C@H:72](O)[CH2:34][C@@:81]([CH3:26])(O)[C@H:79]2O[C:169](=O)[C:127]([CH3:21])=[CH:140][CH3:16]', '35 36 H 16.87 -9.76 H 15.25 -10.79 C:13 15.80 -14.30 C:9004 21.06 -9.83 C:9201 19.32 -6.57 C:6003 10.06 -14.69 C:6201 12.27 -15.70 C:15 10.67 -11.86 C:14 15.41 -7.35 O 18.67 -10.22 O 18.83 -13.44 O 11.23 -12.14 O 12.42 -11.87 O 12.21 -7.00 O 14.01 -7.38 C:9003 20.84 -8.45 C:3 11.04 -9.31 C:1 13.43 -9.23 O 13.43 -13.14 O 17.14 -8.34 O 17.68 -11.16 C:9002 19.54 -7.95 C:11 16.30 -12.97 C:9001 18.45 -8.84 C:12 17.68 -12.59 C:6001 12.04 -13.28 C:5 13.11 -10.65 C:6002 11.46 -14.56 C:4 11.53 -10.65 C:2 12.21 -8.40 C:6 14.01 -11.86 C:9 16.05 -9.23 C:10 14.73 -8.59 C:8 16.39 -10.65 C:7 15.46 -11.86 34 1 -1 35 2 -2 3 23 2 4 16 1 5 22 1 6 28 1 7 28 1 29 8 -1 33 9 -2 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -2 33 15 -1 16 22 2 17 29 1 17 30 1 18 30 1 18 33 1 19 26 1 31 19 -2 20 24 1 32 20 -1 21 25 1 21 34 1 22 24 1 23 25 1 23 35 1 26 28 1 27 29 1 27 31 1 31 35 1 32 33 1 32 34 1 34 35 1', '35 36 H 16.87 -9.76 H 15.25 -10.79 C 15.80 -14.30 C 21.06 -9.83 C 19.32 -6.57 C 10.06 -14.69 C 12.27 -15.70 C 10.67 -11.86 C 15.41 -7.35 O 18.67 -10.22 O 18.83 -13.44 O 11.23 -12.14 O 12.42 -11.87 O 12.21 -7.00 O 14.01 -7.38 C 20.84 -8.45 C 11.04 -9.31 C 13.43 -9.23 O 13.43 -13.14 O 17.14 -8.34 O 17.68 -11.16 C 19.54 -7.95 C 16.30 -12.97 C 18.45 -8.84 C 17.68 -12.59 C 12.04 -13.28 C 13.11 -10.65 C 11.46 -14.56 C 11.53 -10.65 C 12.21 -8.40 C 14.01 -11.86 C 16.05 -9.23 C 14.73 -8.59 C 16.39 -10.65 C 15.46 -11.86 34 1 -1 35 2 -2 3 23 2 4 16 1 5 22 1 6 28 1 7 28 1 29 8 -1 33 9 -2 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -2 33 15 -1 16 22 2 17 29 1 17 30 1 18 30 1 18 33 1 19 26 1 31 19 -2 20 24 1 32 20 -1 21 25 1 21 34 1 22 24 1 23 25 1 23 35 1 26 28 1 27 29 1 27 31 1 31 35 1 32 33 1 32 34 1 34 35 1', '35 36 H 16.87 -9.76 H 15.25 -10.79 C:125 15.80 -14.30 C:16 21.06 -9.83 C:21 19.32 -6.57 C:19 10.06 -14.69 C:19 12.27 -15.70 C:21 10.67 -11.86 C:26 15.41 -7.35 O 18.67 -10.22 O 18.83 -13.44 O 11.23 -12.14 O 12.42 -11.87 O 12.21 -7.00 O 14.01 -7.38 C:140 20.84 -8.45 C:26 11.04 -9.31 C:34 13.43 -9.23 O 13.43 -13.14 O 17.14 -8.34 O 17.68 -11.16 C:127 19.54 -7.95 C:133 16.30 -12.97 C:169 18.45 -8.84 C:168 17.68 -12.59 C:176 12.04 -13.28 C:215 13.11 -10.65 C:34 11.46 -14.56 C:30 11.53 -10.65 C:72 12.21 -8.40 C:79 14.01 -11.86 C:79 16.05 -9.23 C:81 14.73 -8.59 C:79 16.39 -10.65 C:42 15.46 -11.86 34 1 -1 35 2 -2 3 23 2 4 16 1 5 22 1 6 28 1 7 28 1 29 8 -1 33 9 -2 10 24 2 11 25 2 12 26 2 13 27 2 30 14 -2 33 15 -1 16 22 2 17 29 1 17 30 1 18 30 1 18 33 1 19 26 1 31 19 -2 20 24 1 32 20 -1 21 25 1 21 34 1 22 24 1 23 25 1 23 35 1 26 28 1 27 29 1 27 31 1 31 35 1 32 33 1 32 34 1 34 35 1', 'C24H34O9', 466.267, 'C', 'np97_1199_3', 1127, '', '', '1', 33, NULL, NULL),
(8719, 'Cardivin D', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:8]12O[C:12](=O)[C:11](=[CH2:13])[C@@:7]1([H])[C@H:6](O[C:6001](=O)[CH:6002]([CH3:6201])[CH3:6003])[C:5](=O)[C@@H:4]([CH3:15])[CH2:3][C@H:2](O)[CH2:1][C@@:10]([CH3:14])(O)[C@H:9]2O[C:9001](=O)[CH:9002]([CH3:9201])[CH3:9003]', '[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](OC(=O)C(C)C)C(=O)[C@@H](C)C[C@H](O)C[C@@](C)(O)[C@H]2OC(=O)C(C)C', '[H][C@@:79]12O[C:168](=O)[C:133](=[CH2:125])[C@@:42]1([H])[C@H:79](O[C:178](=O)[CH:34]([CH3:19])[CH3:19])[C:215](=O)[C@@H:30]([CH3:21])[CH2:26][C@H:72](O)[CH2:34][C@@:81]([CH3:25])(O)[C@H:79]2O[C:178](=O)[CH:34]([CH3:19])[CH3:19]', '34 35 H 17.00 -9.78 H 15.38 -10.81 C:13 15.92 -14.32 C:6201 12.38 -15.72 C:6003 10.19 -14.71 C:9201 19.44 -6.57 C:9003 20.98 -8.46 C:15 10.80 -11.87 C:14 15.54 -7.37 O 18.95 -13.45 O 11.54 -12.44 O 18.79 -10.24 O 12.55 -11.88 O 12.30 -7.01 O 14.12 -7.40 C:3 11.17 -9.33 C:1 13.55 -9.25 O 13.55 -13.16 O 17.26 -8.35 O 17.80 -11.18 C:11 16.42 -12.99 C:12 17.80 -12.61 C:6001 12.16 -13.29 C:9001 18.56 -8.86 C:5 13.23 -10.67 C:6002 11.57 -14.59 C:9002 19.66 -7.96 C:4 11.66 -10.67 C:2 12.38 -8.41 C:6 14.12 -11.87 C:9 16.17 -9.25 C:10 14.85 -8.60 C:8 16.51 -10.67 C:7 15.58 -11.87 33 1 -1 34 2 -2 3 21 2 4 26 1 5 26 1 6 27 1 7 27 1 28 8 -1 32 9 -2 10 22 2 11 23 2 12 24 2 13 25 2 29 14 -2 32 15 -1 16 28 1 16 29 1 17 29 1 17 32 1 18 23 1 30 18 -2 19 24 1 31 19 -1 20 22 1 20 33 1 21 22 1 21 34 1 23 26 1 24 27 1 25 28 1 25 30 1 30 34 1 31 32 1 31 33 1 33 34 1', '34 35 H 17.00 -9.78 H 15.38 -10.81 C 15.92 -14.32 C 12.38 -15.72 C 10.19 -14.71 C 19.44 -6.57 C 20.98 -8.46 C 10.80 -11.87 C 15.54 -7.37 O 18.95 -13.45 O 11.54 -12.44 O 18.79 -10.24 O 12.55 -11.88 O 12.30 -7.01 O 14.12 -7.40 C 11.17 -9.33 C 13.55 -9.25 O 13.55 -13.16 O 17.26 -8.35 O 17.80 -11.18 C 16.42 -12.99 C 17.80 -12.61 C 12.16 -13.29 C 18.56 -8.86 C 13.23 -10.67 C 11.57 -14.59 C 19.66 -7.96 C 11.66 -10.67 C 12.38 -8.41 C 14.12 -11.87 C 16.17 -9.25 C 14.85 -8.60 C 16.51 -10.67 C 15.58 -11.87 33 1 -1 34 2 -2 3 21 2 4 26 1 5 26 1 6 27 1 7 27 1 28 8 -1 32 9 -2 10 22 2 11 23 2 12 24 2 13 25 2 29 14 -2 32 15 -1 16 28 1 16 29 1 17 29 1 17 32 1 18 23 1 30 18 -2 19 24 1 31 19 -1 20 22 1 20 33 1 21 22 1 21 34 1 23 26 1 24 27 1 25 28 1 25 30 1 30 34 1 31 32 1 31 33 1 33 34 1', '34 35 H 17.00 -9.78 H 15.38 -10.81 C:125 15.92 -14.32 C:19 12.38 -15.72 C:19 10.19 -14.71 C:19 19.44 -6.57 C:19 20.98 -8.46 C:21 10.80 -11.87 C:25 15.54 -7.37 O 18.95 -13.45 O 11.54 -12.44 O 18.79 -10.24 O 12.55 -11.88 O 12.30 -7.01 O 14.12 -7.40 C:26 11.17 -9.33 C:34 13.55 -9.25 O 13.55 -13.16 O 17.26 -8.35 O 17.80 -11.18 C:133 16.42 -12.99 C:168 17.80 -12.61 C:178 12.16 -13.29 C:178 18.56 -8.86 C:215 13.23 -10.67 C:34 11.57 -14.59 C:34 19.66 -7.96 C:30 11.66 -10.67 C:72 12.38 -8.41 C:79 14.12 -11.87 C:79 16.17 -9.25 C:81 14.85 -8.60 C:79 16.51 -10.67 C:42 15.58 -11.87 33 1 -1 34 2 -2 3 21 2 4 26 1 5 26 1 6 27 1 7 27 1 28 8 -1 32 9 -2 10 22 2 11 23 2 12 24 2 13 25 2 29 14 -2 32 15 -1 16 28 1 16 29 1 17 29 1 17 32 1 18 23 1 30 18 -2 19 24 1 31 19 -1 20 22 1 20 33 1 21 22 1 21 34 1 23 26 1 24 27 1 25 28 1 25 30 1 30 34 1 31 32 1 31 33 1 33 34 1', 'C23H34O9', 454.257, 'C', 'np97_1199_4', 1127, '', '', '1', 33, NULL, NULL),
(8720, '11alpha,13-Dihydroxydehidrocostuslactone', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C@:11](O)([CH2:13]O)[C@:7]2([H])[CH2:8][CH2:9][C:10]3=[CH2:14]', '[H][C@@]13CCC(=C)[C@]1([H])[C@@]2([H])OC(=O)[C@](O)(CO)[C@]2([H])CCC3=C', '[H][C@@:47]13[CH2:30][CH2:32][C:150](=[CH2:112])[C@:52]1([H])[C@@:85]2([H])O[C:180](=O)[C@:77](O)([CH2:65]O)[C@:48]2([H])[CH2:25][CH2:36][C:132]3=[CH2:110]', '23 25 H 14.79 -8.12 H 16.36 -10.78 H 15.48 -10.81 H 13.98 -11.54 C:14 15.92 -6.91 C:15 11.73 -11.72 O 15.92 -15.40 O 19.39 -13.88 O 18.02 -14.14 C:13 18.48 -12.82 C:3 12.14 -9.13 C:9 17.29 -9.06 C:2 13.32 -8.22 C:8 17.63 -10.51 O 14.73 -13.08 C:10 15.92 -8.40 C:4 12.63 -10.53 C:12 15.92 -13.92 C:1 14.57 -9.06 C:7 16.68 -11.68 C:6 15.18 -11.68 C:5 14.24 -10.51 C:11 17.11 -13.08 19 1 -2 20 2 -2 21 3 -1 22 4 -2 5 16 2 6 17 2 7 18 2 8 10 1 23 9 -2 23 10 -1 11 13 1 11 17 1 12 14 1 12 16 1 13 19 1 14 20 1 15 18 1 15 21 1 16 19 1 17 22 1 18 23 1 19 22 1 20 21 1 20 23 1 21 22 1', '23 25 H 14.79 -8.12 H 16.36 -10.78 H 15.48 -10.81 H 13.98 -11.54 C 15.92 -6.91 C 11.73 -11.72 O 15.92 -15.40 O 19.39 -13.88 O 18.02 -14.14 C 18.48 -12.82 C 12.14 -9.13 C 17.29 -9.06 C 13.32 -8.22 C 17.63 -10.51 O 14.73 -13.08 C 15.92 -8.40 C 12.63 -10.53 C 15.92 -13.92 C 14.57 -9.06 C 16.68 -11.68 C 15.18 -11.68 C 14.24 -10.51 C 17.11 -13.08 19 1 -2 20 2 -2 21 3 -1 22 4 -2 5 16 2 6 17 2 7 18 2 8 10 1 23 9 -2 23 10 -1 11 13 1 11 17 1 12 14 1 12 16 1 13 19 1 14 20 1 15 18 1 15 21 1 16 19 1 17 22 1 18 23 1 19 22 1 20 21 1 20 23 1 21 22 1', '23 25 H 14.79 -8.12 H 16.36 -10.78 H 15.48 -10.81 H 13.98 -11.54 C:110 15.92 -6.91 C:112 11.73 -11.72 O 15.92 -15.40 O 19.39 -13.88 O 18.02 -14.14 C:65 18.48 -12.82 C:32 12.14 -9.13 C:36 17.29 -9.06 C:30 13.32 -8.22 C:25 17.63 -10.51 O 14.73 -13.08 C:132 15.92 -8.40 C:150 12.63 -10.53 C:180 15.92 -13.92 C:47 14.57 -9.06 C:48 16.68 -11.68 C:85 15.18 -11.68 C:52 14.24 -10.51 C:77 17.11 -13.08 19 1 -2 20 2 -2 21 3 -1 22 4 -2 5 16 2 6 17 2 7 18 2 8 10 1 23 9 -2 23 10 -1 11 13 1 11 17 1 12 14 1 12 16 1 13 19 1 14 20 1 15 18 1 15 21 1 16 19 1 17 22 1 18 23 1 19 22 1 20 21 1 20 23 1 21 22 1', 'C15H20O4', 264.19, 'C', 'np98_105_1', 1515, '', '', '1', 33, NULL, NULL),
(8721, '(4R,5R)-4(5)-Epoxyschkuhriolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:8]23[CH2:9][C:10]([CH:14]=O)=[CH:1][CH2:2][CH2:3][C@@:4]1([CH3:15])O[C@@H:5]1[C@@H:6](O)[C@:7]2([H])[C:11](=[CH2:13])[C:12](=O)O3', '[H][C@@]23CC(C=O)=CCC[C@@]1(C)O[C@@H]1[C@@H](O)[C@]2([H])C(=C)C(=O)O3', '[H][C@@:75]23[CH2:9999][C:140]([CH:197]=O)=[CH:156][CH2:24][CH2:36][C@@:63]1([CH3:18])O[C@@H:64]1[C@@H:65](O)[C@:49]2([H])[C:137](=[CH2:126])[C:169](=O)O3', '22 24 H 17.38 -10.70 H 16.45 -10.70 C:13 14.35 -13.48 C:15 11.89 -8.85 O 19.06 -6.90 O 16.88 -15.37 O 14.57 -11.78 C:14 19.26 -8.29 C:1 16.88 -8.52 C:2 15.59 -9.16 C:3 14.38 -8.33 C:9 18.48 -10.55 O 18.05 -13.07 O 12.34 -10.31 C:11 15.70 -13.07 C:10 18.16 -9.16 C:12 16.88 -13.93 C:6 15.26 -10.57 C:5 13.72 -10.57 C:8 17.59 -11.70 C:7 16.16 -11.70 C:4 13.25 -9.23 20 1 -2 21 2 -2 3 15 2 22 4 -1 5 8 2 6 17 2 18 7 -2 8 16 1 9 10 1 9 16 2 10 11 1 11 22 1 12 16 1 12 20 1 13 17 1 13 20 1 19 14 -1 14 22 1 15 17 1 15 21 1 18 19 1 18 21 1 19 22 1 20 21 1', '22 24 H 17.38 -10.70 H 16.45 -10.70 C 14.35 -13.48 C 11.89 -8.85 O 19.06 -6.90 O 16.88 -15.37 O 14.57 -11.78 C 19.26 -8.29 C 16.88 -8.52 C 15.59 -9.16 C 14.38 -8.33 C 18.48 -10.55 O 18.05 -13.07 O 12.34 -10.31 C 15.70 -13.07 C 18.16 -9.16 C 16.88 -13.93 C 15.26 -10.57 C 13.72 -10.57 C 17.59 -11.70 C 16.16 -11.70 C 13.25 -9.23 20 1 -2 21 2 -2 3 15 2 22 4 -1 5 8 2 6 17 2 18 7 -2 8 16 1 9 10 1 9 16 2 10 11 1 11 22 1 12 16 1 12 20 1 13 17 1 13 20 1 19 14 -1 14 22 1 15 17 1 15 21 1 18 19 1 18 21 1 19 22 1 20 21 1', '22 24 H 17.38 -10.70 H 16.45 -10.70 C:126 14.35 -13.48 C:18 11.89 -8.85 O 19.06 -6.90 O 16.88 -15.37 O 14.57 -11.78 C:197 19.26 -8.29 C:156 16.88 -8.52 C:24 15.59 -9.16 C:36 14.38 -8.33 C 18.48 -10.55 O 18.05 -13.07 O 12.34 -10.31 C:137 15.70 -13.07 C:140 18.16 -9.16 C:169 16.88 -13.93 C:65 15.26 -10.57 C:64 13.72 -10.57 C:75 17.59 -11.70 C:49 16.16 -11.70 C:63 13.25 -9.23 20 1 -2 21 2 -2 3 15 2 22 4 -1 5 8 2 6 17 2 18 7 -2 8 16 1 9 10 1 9 16 2 10 11 1 11 22 1 12 16 1 12 20 1 13 17 1 13 20 1 19 14 -1 14 22 1 15 17 1 15 21 1 18 19 1 18 21 1 19 22 1 20 21 1', 'C15H18O5', 278.173, 'C', 'np98_1082_6', 490, '', '', '1', 33, NULL, NULL),
(8722, '(11R)-11,13-Dihydro-acetyl-schkuhriolide', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:8]12[CH2:9][C:10]([CH:14]=O)=[CH:1][CH2:2][CH2:3][C:4]([CH3:15])=[CH:5][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:7]1([H])[C@@H:11]([CH3:13])[C:12](=O)O2', '[H][C@@]12CC(C=O)=CCCC(C)=C[C@@H](OC(C)=O)[C@]1([H])[C@@H](C)C(=O)O2', '[H][C@@:70]12[CH2:30][C:141]([CH:196]=O)=[CH:155][CH2:28][CH2:37][C:137]([CH3:17])=[CH:124][C@@H:69](O[C:9999]([CH3:9999])=O)[C@:41]1([H])[C@@H:39]([CH3:15])[C:178](=O)O2', '24 25 H 15.99 -9.43 H 15.99 -12.94 C:6002 14.50 -15.99 C:15 11.74 -12.38 C:13 17.80 -13.72 O 15.34 -6.26 O 16.37 -14.45 O 19.64 -11.18 C:14 15.51 -7.65 C:1 13.09 -7.92 C:5 13.81 -11.08 C:2 11.74 -8.54 C:3 11.46 -9.95 C:9 14.60 -9.85 O 14.10 -13.60 O 17.36 -10.02 C:6001 14.99 -14.68 C:4 12.37 -11.08 C:10 14.38 -8.54 C:12 18.20 -11.18 C:11 17.36 -12.38 C:6 14.60 -12.29 C:8 15.99 -10.46 C:7 15.99 -11.91 23 1 -2 24 2 -2 3 17 1 4 18 1 21 5 -2 6 9 2 7 17 2 8 20 2 9 19 1 10 12 1 10 19 2 11 18 2 11 22 1 12 13 1 13 18 1 14 19 1 14 23 1 15 17 1 22 15 -2 16 20 1 16 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 15.99 -9.43 H 15.99 -12.94 C 14.50 -15.99 C 11.74 -12.38 C 17.80 -13.72 O 15.34 -6.26 O 16.37 -14.45 O 19.64 -11.18 C 15.51 -7.65 C 13.09 -7.92 C 13.81 -11.08 C 11.74 -8.54 C 11.46 -9.95 C 14.60 -9.85 O 14.10 -13.60 O 17.36 -10.02 C 14.99 -14.68 C 12.37 -11.08 C 14.38 -8.54 C 18.20 -11.18 C 17.36 -12.38 C 14.60 -12.29 C 15.99 -10.46 C 15.99 -11.91 23 1 -2 24 2 -2 3 17 1 4 18 1 21 5 -2 6 9 2 7 17 2 8 20 2 9 19 1 10 12 1 10 19 2 11 18 2 11 22 1 12 13 1 13 18 1 14 19 1 14 23 1 15 17 1 22 15 -2 16 20 1 16 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 15.99 -9.43 H 15.99 -12.94 C 14.50 -15.99 C:17 11.74 -12.38 C:15 17.80 -13.72 O 15.34 -6.26 O 16.37 -14.45 O 19.64 -11.18 C:196 15.51 -7.65 C:155 13.09 -7.92 C:124 13.81 -11.08 C:28 11.74 -8.54 C:37 11.46 -9.95 C:30 14.60 -9.85 O 14.10 -13.60 O 17.36 -10.02 C 14.99 -14.68 C:137 12.37 -11.08 C:141 14.38 -8.54 C:178 18.20 -11.18 C:39 17.36 -12.38 C:69 14.60 -12.29 C:70 15.99 -10.46 C:41 15.99 -11.91 23 1 -2 24 2 -2 3 17 1 4 18 1 21 5 -2 6 9 2 7 17 2 8 20 2 9 19 1 10 12 1 10 19 2 11 18 2 11 22 1 12 13 1 13 18 1 14 19 1 14 23 1 15 17 1 22 15 -2 16 20 1 16 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C17H22O5', 306.195, 'B', 'np98_1082_9', 490, '', '', '1', 33, NULL, NULL),
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(8734, 'Isocarnosol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:7]24[CH2:6][C@@:5]1([H])[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@:10]1([C:20](=O)O2)[c:9]3[c:11](O)[cH:12][c:13]([CH:15]([CH3:16])[CH3:17])[c:14](O)[c:8]34', '[H][C@]24C[C@@]1([H])[C@@](C)(C)CCC[C@]1(C(=O)O2)c3c(O)cc(C(C)C)c(O)c34', '[H][C@:77]24[CH2:34][C@@:45]1([H])[C@@:29]([CH3:23])([CH3:32])[CH2:41][CH2:19][CH2:30][C@:48]1([C:176](=O)O2)[c:122]3[c:143](O)[cH:112][c:135]([CH:27]([CH3:23])[CH3:20])[c:143](O)[c:132]34', '26 29 H 17.12 -13.45 H 13.79 -13.95 C:16 18.60 -7.48 C:17 19.80 -9.55 C:18 13.52 -14.79 C:19 11.56 -14.69 O 12.64 -9.43 O 13.79 -8.80 O 18.60 -11.68 C:12 16.19 -8.89 C:2 11.37 -11.68 C:3 11.37 -13.06 C:1 12.56 -10.96 C:6 14.99 -13.74 O 14.99 -12.41 C:20 13.79 -10.26 C:11 14.99 -9.55 C:14 17.38 -10.96 C:13 17.38 -9.55 C:8 16.19 -11.68 C:9 14.99 -10.96 C:15 18.60 -8.89 C:4 12.56 -13.74 C:7 16.19 -13.06 C:5 13.79 -13.06 C:10 13.79 -11.68 24 1 -2 25 2 -2 3 22 1 4 22 1 23 5 -2 23 6 -1 7 16 2 8 17 1 9 18 1 10 17 2 10 19 1 11 12 1 11 13 1 12 23 1 13 26 1 14 24 1 14 25 1 15 16 1 15 24 1 26 16 -1 17 21 1 18 19 2 18 20 1 19 22 1 20 21 2 20 24 1 21 26 1 23 25 1 25 26 1', '26 29 H 17.12 -13.45 H 13.79 -13.95 C 18.60 -7.48 C 19.80 -9.55 C 13.52 -14.79 C 11.56 -14.69 O 12.64 -9.43 O 13.79 -8.80 O 18.60 -11.68 C 16.19 -8.89 C 11.37 -11.68 C 11.37 -13.06 C 12.56 -10.96 C 14.99 -13.74 O 14.99 -12.41 C 13.79 -10.26 C 14.99 -9.55 C 17.38 -10.96 C 17.38 -9.55 C 16.19 -11.68 C 14.99 -10.96 C 18.60 -8.89 C 12.56 -13.74 C 16.19 -13.06 C 13.79 -13.06 C 13.79 -11.68 24 1 -2 25 2 -2 3 22 1 4 22 1 23 5 -2 23 6 -1 7 16 2 8 17 1 9 18 1 10 17 2 10 19 1 11 12 1 11 13 1 12 23 1 13 26 1 14 24 1 14 25 1 15 16 1 15 24 1 26 16 -1 17 21 1 18 19 2 18 20 1 19 22 1 20 21 2 20 24 1 21 26 1 23 25 1 25 26 1', '26 29 H 17.12 -13.45 H 13.79 -13.95 C:23 18.60 -7.48 C:20 19.80 -9.55 C:23 13.52 -14.79 C:32 11.56 -14.69 O 12.64 -9.43 O 13.79 -8.80 O 18.60 -11.68 C:112 16.19 -8.89 C:19 11.37 -11.68 C:41 11.37 -13.06 C:30 12.56 -10.96 C:34 14.99 -13.74 O 14.99 -12.41 C:176 13.79 -10.26 C:143 14.99 -9.55 C:143 17.38 -10.96 C:135 17.38 -9.55 C:132 16.19 -11.68 C:122 14.99 -10.96 C:27 18.60 -8.89 C:29 12.56 -13.74 C:77 16.19 -13.06 C:45 13.79 -13.06 C:48 13.79 -11.68 24 1 -2 25 2 -2 3 22 1 4 22 1 23 5 -2 23 6 -1 7 16 2 8 17 1 9 18 1 10 17 2 10 19 1 11 12 1 11 13 1 12 23 1 13 26 1 14 24 1 14 25 1 15 16 1 15 24 1 26 16 -1 17 21 1 18 19 2 18 20 1 19 22 1 20 21 2 20 24 1 21 26 1 23 25 1 25 26 1', 'C20H26O4', 330.227, 'C', '303_a', 79, '', '', '2', 29, NULL, NULL),
(8735, '7-Oxoroyleanon', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[c:9]([c:11](=O)[c:12](O)[c:13]([CH:15]([CH3:16])[CH3:17])[c:14]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC(=O)c1c(c(=O)c(O)c(C(C)C)c1=O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:49]23[CH2:36][C:197](=O)[c:133]1[c:155]([c:185](=O)[c:151](O)[c:125]([CH:24]([CH3:20])[CH3:20])[c:185]1=O)[C@@:40]2([CH3:18])[CH2:35][CH2:18][CH2:41][C@:22]3([CH3:33])[CH3:21]', '25 27 H 13.71 -14.00 C:16 18.60 -7.40 C:17 19.85 -9.51 C:18 13.45 -14.86 C:19 11.44 -14.76 C:20 13.71 -10.22 O 17.37 -13.79 O 13.71 -8.77 O 18.60 -11.65 O 16.17 -7.44 C:2 11.25 -11.67 C:3 11.25 -13.09 C:1 12.47 -10.94 C:6 14.94 -13.79 C:7 16.17 -13.09 C:12 16.17 -8.84 C:8 16.17 -11.67 C:13 17.37 -9.51 C:9 14.94 -10.94 C:11 14.94 -9.51 C:14 17.37 -10.94 C:15 18.62 -8.84 C:4 12.47 -13.79 C:10 13.71 -11.67 C:5 13.71 -13.09 25 1 -2 2 22 1 3 22 1 23 4 -2 23 5 -1 24 6 -1 7 15 2 8 20 2 9 21 2 10 16 1 11 12 1 11 13 1 12 23 1 13 24 1 14 15 1 14 25 1 15 17 1 16 18 2 16 20 1 17 19 2 17 21 1 18 21 1 18 22 1 19 20 1 19 24 1 23 25 1 24 25 1', '25 27 H 13.71 -14.00 C 18.60 -7.40 C 19.85 -9.51 C 13.45 -14.86 C 11.44 -14.76 C 13.71 -10.22 O 17.37 -13.79 O 13.71 -8.77 O 18.60 -11.65 O 16.17 -7.44 C 11.25 -11.67 C 11.25 -13.09 C 12.47 -10.94 C 14.94 -13.79 C 16.17 -13.09 C 16.17 -8.84 C 16.17 -11.67 C 17.37 -9.51 C 14.94 -10.94 C 14.94 -9.51 C 17.37 -10.94 C 18.62 -8.84 C 12.47 -13.79 C 13.71 -11.67 C 13.71 -13.09 25 1 -2 2 22 1 3 22 1 23 4 -2 23 5 -1 24 6 -1 7 15 2 8 20 2 9 21 2 10 16 1 11 12 1 11 13 1 12 23 1 13 24 1 14 15 1 14 25 1 15 17 1 16 18 2 16 20 1 17 19 2 17 21 1 18 21 1 18 22 1 19 20 1 19 24 1 23 25 1 24 25 1', '25 27 H 13.71 -14.00 C:20 18.60 -7.40 C:20 19.85 -9.51 C:33 13.45 -14.86 C:21 11.44 -14.76 C:18 13.71 -10.22 O 17.37 -13.79 O 13.71 -8.77 O 18.60 -11.65 O 16.17 -7.44 C:18 11.25 -11.67 C:41 11.25 -13.09 C:35 12.47 -10.94 C:36 14.94 -13.79 C:197 16.17 -13.09 C:151 16.17 -8.84 C:133 16.17 -11.67 C:125 17.37 -9.51 C:155 14.94 -10.94 C:185 14.94 -9.51 C:185 17.37 -10.94 C:24 18.62 -8.84 C:22 12.47 -13.79 C:40 13.71 -11.67 C:49 13.71 -13.09 25 1 -2 2 22 1 3 22 1 23 4 -2 23 5 -1 24 6 -1 7 15 2 8 20 2 9 21 2 10 16 1 11 12 1 11 13 1 12 23 1 13 24 1 14 15 1 14 25 1 15 17 1 16 18 2 16 20 1 17 19 2 17 21 1 18 21 1 18 22 1 19 20 1 19 24 1 23 25 1 24 25 1', 'C20H26O4', 330.22, 'C', '303_b', 1941, '', '', '2', 29, NULL, NULL),
(8736, 'Pseudojolkinolide B', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]56[CH2:6][CH2:7][C@@:8]14O[C@@H:14]1[C:13]2=[C:15]([CH3:17])[C:16](=O)O[C@:12]23O[CH:11]3[C@:9]4([H])[C@@:10]5([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]6([CH3:19])[CH3:18]', '[H][C@@]56CC[C@@]14O[C@@H]1C2=C(C)C(=O)O[C@]23OC3[C@]4([H])[C@@]5(C)CCC[C@@]6(C)C', '[H][C@@:54]56[CH2:21][CH2:39][C@@:67]14O[C@@H:55]1[C:130]2=[C:149]([CH3:9])[C:170](=O)O[C@:85]23O[CH:61]3[C@:48]4([H])[C@@:36]5([CH3:16])[CH2:39][CH2:19][CH2:41][C@@:34]6([CH3:22])[CH3:34]', '26 31 H 13.77 -14.69 H 15.02 -12.57 C:17 19.90 -9.43 C:19 11.47 -15.46 C:18 13.50 -15.56 C:20 13.77 -10.84 O 18.62 -6.68 C:2 11.26 -12.31 C:3 11.26 -13.75 C:1 12.52 -11.57 C:6 15.02 -14.49 C:7 16.28 -13.75 O 16.55 -8.06 O 17.51 -12.97 O 15.07 -8.73 C:15 18.54 -9.16 C:16 17.94 -7.90 C:13 17.51 -10.12 C:14 17.51 -11.57 C:11 15.02 -10.12 C:4 12.52 -14.49 C:5 13.77 -13.75 C:10 13.77 -12.31 C:9 15.02 -11.57 C:8 16.28 -12.31 C:12 16.28 -9.43 22 1 -2 24 2 -2 3 16 1 21 4 -1 21 5 -2 23 6 -1 7 17 2 8 9 1 8 10 1 9 21 1 10 23 1 11 12 1 11 22 1 12 25 1 13 17 1 26 13 -2 19 14 -1 25 14 -1 15 20 1 26 15 -1 16 17 1 16 18 2 18 19 1 18 26 1 19 25 1 20 24 1 20 26 1 21 22 1 22 23 1 23 24 1 24 25 1', '26 31 H 13.77 -14.69 H 15.02 -12.57 C 19.90 -9.43 C 11.47 -15.46 C 13.50 -15.56 C 13.77 -10.84 O 18.62 -6.68 C 11.26 -12.31 C 11.26 -13.75 C 12.52 -11.57 C 15.02 -14.49 C 16.28 -13.75 O 16.55 -8.06 O 17.51 -12.97 O 15.07 -8.73 C 18.54 -9.16 C 17.94 -7.90 C 17.51 -10.12 C 17.51 -11.57 C 15.02 -10.12 C 12.52 -14.49 C 13.77 -13.75 C 13.77 -12.31 C 15.02 -11.57 C 16.28 -12.31 C 16.28 -9.43 22 1 -2 24 2 -2 3 16 1 21 4 -1 21 5 -2 23 6 -1 7 17 2 8 9 1 8 10 1 9 21 1 10 23 1 11 12 1 11 22 1 12 25 1 13 17 1 26 13 -2 19 14 -1 25 14 -1 15 20 1 26 15 -1 16 17 1 16 18 2 18 19 1 18 26 1 19 25 1 20 24 1 20 26 1 21 22 1 22 23 1 23 24 1 24 25 1', '26 31 H 13.77 -14.69 H 15.02 -12.57 C:9 19.90 -9.43 C:22 11.47 -15.46 C:34 13.50 -15.56 C:16 13.77 -10.84 O 18.62 -6.68 C:19 11.26 -12.31 C:41 11.26 -13.75 C:39 12.52 -11.57 C:21 15.02 -14.49 C:39 16.28 -13.75 O 16.55 -8.06 O 17.51 -12.97 O 15.07 -8.73 C:149 18.54 -9.16 C:170 17.94 -7.90 C:130 17.51 -10.12 C:55 17.51 -11.57 C:61 15.02 -10.12 C:34 12.52 -14.49 C:54 13.77 -13.75 C:36 13.77 -12.31 C:48 15.02 -11.57 C:67 16.28 -12.31 C:85 16.28 -9.43 22 1 -2 24 2 -2 3 16 1 21 4 -1 21 5 -2 23 6 -1 7 17 2 8 9 1 8 10 1 9 21 1 10 23 1 11 12 1 11 22 1 12 25 1 13 17 1 26 13 -2 19 14 -1 25 14 -1 15 20 1 26 15 -1 16 17 1 16 18 2 18 19 1 18 26 1 19 25 1 20 24 1 20 26 1 21 22 1 22 23 1 23 24 1 24 25 1', 'C20H26O4', 330.227, 'C', '304_a', 2092, '', '', '2', 29, 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
(8737, 'Horminon', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C@@H:7](O)[c:8]1[c:9]([c:11](=O)[c:12](O)[c:13]([CH:15]([CH3:16])[CH3:17])[c:14]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23C[C@@H](O)c1c(c(=O)c(O)c(C(C)C)c1=O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:46]23[CH2:26][C@@H:63](O)[c:143]1[c:148]([c:184](=O)[c:151](O)[c:124]([CH:24]([CH3:20])[CH3:20])[c:189]1=O)[C@@:39]2([CH3:19])[CH2:36][CH2:19][CH2:41][C@:33]3([CH3:33])[CH3:22]', '25 27 H 13.71 -14.00 C:16 18.59 -7.40 C:17 19.84 -9.51 C:18 13.45 -14.86 C:19 11.44 -14.76 C:20 13.71 -10.22 O 18.59 -11.65 O 13.71 -8.77 O 16.17 -7.44 O 17.36 -13.79 C:2 11.25 -11.67 C:3 11.25 -13.09 C:1 12.47 -10.94 C:6 14.94 -13.79 C:12 16.17 -8.84 C:13 17.36 -9.51 C:8 16.17 -11.67 C:9 14.94 -10.94 C:14 17.36 -10.94 C:11 14.94 -9.51 C:15 18.59 -8.84 C:7 16.17 -13.09 C:4 12.47 -13.79 C:10 13.71 -11.67 C:5 13.71 -13.09 25 1 -2 2 21 1 3 21 1 23 4 -2 23 5 -1 24 6 -1 7 19 2 8 20 2 9 15 1 22 10 -2 11 12 1 11 13 1 12 23 1 13 24 1 14 22 1 14 25 1 15 16 2 15 20 1 16 19 1 16 21 1 17 18 2 17 19 1 17 22 1 18 20 1 18 24 1 23 25 1 24 25 1', '25 27 H 13.71 -14.00 C 18.59 -7.40 C 19.84 -9.51 C 13.45 -14.86 C 11.44 -14.76 C 13.71 -10.22 O 18.59 -11.65 O 13.71 -8.77 O 16.17 -7.44 O 17.36 -13.79 C 11.25 -11.67 C 11.25 -13.09 C 12.47 -10.94 C 14.94 -13.79 C 16.17 -8.84 C 17.36 -9.51 C 16.17 -11.67 C 14.94 -10.94 C 17.36 -10.94 C 14.94 -9.51 C 18.59 -8.84 C 16.17 -13.09 C 12.47 -13.79 C 13.71 -11.67 C 13.71 -13.09 25 1 -2 2 21 1 3 21 1 23 4 -2 23 5 -1 24 6 -1 7 19 2 8 20 2 9 15 1 22 10 -2 11 12 1 11 13 1 12 23 1 13 24 1 14 22 1 14 25 1 15 16 2 15 20 1 16 19 1 16 21 1 17 18 2 17 19 1 17 22 1 18 20 1 18 24 1 23 25 1 24 25 1', '25 27 H 13.71 -14.00 C:20 18.59 -7.40 C:20 19.84 -9.51 C:33 13.45 -14.86 C:22 11.44 -14.76 C:19 13.71 -10.22 O 18.59 -11.65 O 13.71 -8.77 O 16.17 -7.44 O 17.36 -13.79 C:19 11.25 -11.67 C:41 11.25 -13.09 C:36 12.47 -10.94 C:26 14.94 -13.79 C:151 16.17 -8.84 C:124 17.36 -9.51 C:143 16.17 -11.67 C:148 14.94 -10.94 C:189 17.36 -10.94 C:184 14.94 -9.51 C:24 18.59 -8.84 C:63 16.17 -13.09 C:33 12.47 -13.79 C:39 13.71 -11.67 C:46 13.71 -13.09 25 1 -2 2 21 1 3 21 1 23 4 -2 23 5 -1 24 6 -1 7 19 2 8 20 2 9 15 1 22 10 -2 11 12 1 11 13 1 12 23 1 13 24 1 14 22 1 14 25 1 15 16 2 15 20 1 16 19 1 16 21 1 17 18 2 17 19 1 17 22 1 18 20 1 18 24 1 23 25 1 24 25 1', 'C20H28O4', 332.22, 'C', '305_a', 1941, '', '', '2', 29, NULL, NULL),
(8738, 'Taxochinon', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C@H:7](O)[c:8]1[c:9]([c:11](=O)[c:12](O)[c:13]([CH:15]([CH3:17])[CH3:16])[c:14]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C[C@H](O)c1c(c(=O)c(O)c(C(C)C)c1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:49]23[CH2:26][C@H:68](O)[c:145]1[c:148]([c:184](=O)[c:151](O)[c:125]([CH:24]([CH3:20])[CH3:20])[c:190]1=O)[C@@:40]2([CH3:19])[CH2:36][CH2:20][CH2:41][C@@:33]3([CH3:22])[CH3:33]', '25 27 H 13.72 -14.01 C:17 19.86 -9.52 C:16 18.61 -7.45 C:19 11.45 -14.78 C:18 13.46 -14.88 C:20 13.72 -10.23 O 18.61 -11.68 O 13.72 -8.78 O 16.19 -7.45 O 17.38 -13.80 C:2 11.26 -11.68 C:3 11.26 -13.09 C:1 12.48 -10.95 C:6 14.96 -13.80 C:12 16.19 -8.85 C:13 17.38 -9.52 C:8 16.19 -11.68 C:9 14.96 -10.95 C:14 17.38 -10.95 C:11 14.96 -9.52 C:15 18.61 -8.85 C:7 16.19 -13.09 C:4 12.48 -13.80 C:10 13.72 -11.68 C:5 13.72 -13.09 25 1 -2 2 21 1 3 21 1 23 4 -1 23 5 -2 24 6 -1 7 19 2 8 20 2 9 15 1 22 10 -1 11 12 1 11 13 1 12 23 1 13 24 1 14 22 1 14 25 1 15 16 2 15 20 1 16 19 1 16 21 1 17 18 2 17 19 1 17 22 1 18 20 1 18 24 1 23 25 1 24 25 1', '25 27 H 13.72 -14.01 C 19.86 -9.52 C 18.61 -7.45 C 11.45 -14.78 C 13.46 -14.88 C 13.72 -10.23 O 18.61 -11.68 O 13.72 -8.78 O 16.19 -7.45 O 17.38 -13.80 C 11.26 -11.68 C 11.26 -13.09 C 12.48 -10.95 C 14.96 -13.80 C 16.19 -8.85 C 17.38 -9.52 C 16.19 -11.68 C 14.96 -10.95 C 17.38 -10.95 C 14.96 -9.52 C 18.61 -8.85 C 16.19 -13.09 C 12.48 -13.80 C 13.72 -11.68 C 13.72 -13.09 25 1 -2 2 21 1 3 21 1 23 4 -1 23 5 -2 24 6 -1 7 19 2 8 20 2 9 15 1 22 10 -1 11 12 1 11 13 1 12 23 1 13 24 1 14 22 1 14 25 1 15 16 2 15 20 1 16 19 1 16 21 1 17 18 2 17 19 1 17 22 1 18 20 1 18 24 1 23 25 1 24 25 1', '25 27 H 13.72 -14.01 C:20 19.86 -9.52 C:20 18.61 -7.45 C:22 11.45 -14.78 C:33 13.46 -14.88 C:19 13.72 -10.23 O 18.61 -11.68 O 13.72 -8.78 O 16.19 -7.45 O 17.38 -13.80 C:20 11.26 -11.68 C:41 11.26 -13.09 C:36 12.48 -10.95 C:26 14.96 -13.80 C:151 16.19 -8.85 C:125 17.38 -9.52 C:145 16.19 -11.68 C:148 14.96 -10.95 C:190 17.38 -10.95 C:184 14.96 -9.52 C:24 18.61 -8.85 C:68 16.19 -13.09 C:33 12.48 -13.80 C:40 13.72 -11.68 C:49 13.72 -13.09 25 1 -2 2 21 1 3 21 1 23 4 -1 23 5 -2 24 6 -1 7 19 2 8 20 2 9 15 1 22 10 -1 11 12 1 11 13 1 12 23 1 13 24 1 14 22 1 14 25 1 15 16 2 15 20 1 16 19 1 16 21 1 17 18 2 17 19 1 17 22 1 18 20 1 18 24 1 23 25 1 24 25 1', 'C20H28O4', 332.22, 'C', '305_b', 1941, '', '', '2', 29, NULL, NULL),
(8739, '', 'Laur-11-en-2,10-diol', 'Terpenoids', 'Sesquiterpenoids', 'Lauranes', '[CH2:13]=[C:5]1[C@:4]([CH3:12])(O)[CH2:3][CH2:2][C@@:1]1([CH3:14])[c:6]2[cH:11][cH:10][c:9]([CH3:15])[c:8](O)[cH:7]2', 'C=C1[C@](C)(O)CC[C@@]1(C)c2ccc(C)c(O)c2', '[CH2:108]=[C:167]1[C@:79]([CH3:29])(O)[CH2:40][CH2:40][C@@:51]1([CH3:31])[c:149]2[cH:118][cH:131][c:122]([CH3:16])[c:156](O)[cH:114]2', '17 18 C:13 17.82 -11.83 C:15 11.40 -12.70 C:12 19.76 -8.87 C:14 14.98 -9.34 O 13.85 -14.10 O 19.61 -10.26 C:10 12.60 -10.61 C:11 13.83 -9.91 C:7 15.04 -12.00 C:3 17.82 -8.23 C:2 16.40 -8.52 C:5 17.54 -10.48 C:9 12.60 -12.00 C:8 13.85 -12.70 C:6 15.04 -10.61 C:4 18.48 -9.44 C:1 16.25 -9.91 1 12 2 2 13 1 16 3 -2 17 4 -1 5 14 1 16 6 -1 7 8 1 7 13 2 8 15 2 9 14 2 9 15 1 10 11 1 10 16 1 11 17 1 12 16 1 12 17 1 13 14 1 17 15 -2', '17 18 C 17.82 -11.83 C 11.40 -12.70 C 19.76 -8.87 C 14.98 -9.34 O 13.85 -14.10 O 19.61 -10.26 C 12.60 -10.61 C 13.83 -9.91 C 15.04 -12.00 C 17.82 -8.23 C 16.40 -8.52 C 17.54 -10.48 C 12.60 -12.00 C 13.85 -12.70 C 15.04 -10.61 C 18.48 -9.44 C 16.25 -9.91 1 12 2 2 13 1 16 3 -2 17 4 -1 5 14 1 16 6 -1 7 8 1 7 13 2 8 15 2 9 14 2 9 15 1 10 11 1 10 16 1 11 17 1 12 16 1 12 17 1 13 14 1 17 15 -2', '17 18 C:108 17.82 -11.83 C:16 11.40 -12.70 C:29 19.76 -8.87 C:31 14.98 -9.34 O 13.85 -14.10 O 19.61 -10.26 C:131 12.60 -10.61 C:118 13.83 -9.91 C:114 15.04 -12.00 C:40 17.82 -8.23 C:40 16.40 -8.52 C:167 17.54 -10.48 C:122 12.60 -12.00 C:156 13.85 -12.70 C:149 15.04 -10.61 C:79 18.48 -9.44 C:51 16.25 -9.91 1 12 2 2 13 1 16 3 -2 17 4 -1 5 14 1 16 6 -1 7 8 1 7 13 2 8 15 2 9 14 2 9 15 1 10 11 1 10 16 1 11 17 1 12 16 1 12 17 1 13 14 1 17 15 -2', 'C15H20O2', 232.159, 'A', 'np05_915_1', 2131, '', '', '1', 40, NULL, NULL),
(8740, '', 'Laur-11-en-10-ol', 'Terpenoids', 'Sesquiterpenoids', 'Lauranes', '[CH2:13]=[C:5]1[C@:4]([CH3:12])(O)[CH2:3][CH2:2][C@@:1]1([CH3:14])[c:6]2[cH:7][cH:8][c:9]([CH3:15])[cH:10][cH:11]2', 'C=C1[C@](C)(O)CC[C@@]1(C)c2ccc(C)cc2', '[CH2:108]=[C:167]1[C@:79]([CH3:29])(O)[CH2:40][CH2:40][C@@:51]1([CH3:31])[c:147]2[cH:127][cH:129][c:136]([CH3:21])[cH:129][cH:127]2', '16 17 C:13 17.82 -12.50 C:15 11.40 -13.37 C:12 19.76 -9.54 C:14 14.98 -10.01 O 19.61 -10.93 C:8 13.85 -13.37 C:10 12.60 -11.28 C:7 15.04 -12.67 C:11 13.85 -10.58 C:3 17.82 -8.90 C:2 16.40 -9.19 C:5 17.54 -11.15 C:9 12.60 -12.67 C:6 15.04 -11.28 C:4 18.48 -10.11 C:1 16.25 -10.58 1 12 2 2 13 1 15 3 -2 16 4 -1 15 5 -1 6 8 2 6 13 1 7 9 1 7 13 2 8 14 1 9 14 2 10 11 1 10 15 1 11 16 1 12 15 1 12 16 1 16 14 -2', '16 17 C 17.82 -12.50 C 11.40 -13.37 C 19.76 -9.54 C 14.98 -10.01 O 19.61 -10.93 C 13.85 -13.37 C 12.60 -11.28 C 15.04 -12.67 C 13.85 -10.58 C 17.82 -8.90 C 16.40 -9.19 C 17.54 -11.15 C 12.60 -12.67 C 15.04 -11.28 C 18.48 -10.11 C 16.25 -10.58 1 12 2 2 13 1 15 3 -2 16 4 -1 15 5 -1 6 8 2 6 13 1 7 9 1 7 13 2 8 14 1 9 14 2 10 11 1 10 15 1 11 16 1 12 15 1 12 16 1 16 14 -2', '16 17 C:108 17.82 -12.50 C:21 11.40 -13.37 C:29 19.76 -9.54 C:31 14.98 -10.01 O 19.61 -10.93 C:129 13.85 -13.37 C:129 12.60 -11.28 C:127 15.04 -12.67 C:127 13.85 -10.58 C:40 17.82 -8.90 C:40 16.40 -9.19 C:167 17.54 -11.15 C:136 12.60 -12.67 C:147 15.04 -11.28 C:79 18.48 -10.11 C:51 16.25 -10.58 1 12 2 2 13 1 15 3 -2 16 4 -1 15 5 -1 6 8 2 6 13 1 7 9 1 7 13 2 8 14 1 9 14 2 10 11 1 10 15 1 11 16 1 12 15 1 12 16 1 16 14 -2', 'C15H20O', 216.16, 'A', 'np05_915_2', 2131, '', '', '1', 40, NULL, NULL),
(8741, '', 'Laur-11-en-1,10-diol', 'Terpenoids', 'Sesquiterpenoids', 'Lauranes', '[CH2:13]=[C:5]1[C@:4]([CH3:12])(O)[CH2:3][CH2:2][C@@:1]1([CH3:14])[c:6]2[cH:11][cH:10][c:9]([CH3:15])[cH:8][c:7]2O', 'C=C1[C@](C)(O)CC[C@@]1(C)c2ccc(C)cc2O', '[CH2:108]=[C:167]1[C@:79]([CH3:29])(O)[CH2:40][CH2:37][C@@:50]1([CH3:28])[c:132]2[cH:129][cH:120][c:137]([CH3:21])[cH:118][c:156]2O', '17 18 C:13 17.82 -12.50 C:15 11.40 -13.37 C:12 19.76 -9.54 C:14 14.98 -10.01 O 16.25 -13.37 O 19.61 -10.93 C:10 12.60 -11.28 C:11 13.85 -10.58 C:8 13.85 -13.37 C:3 17.82 -8.90 C:2 16.40 -9.19 C:5 17.54 -11.15 C:9 12.60 -12.67 C:7 15.04 -12.67 C:6 15.04 -11.28 C:4 18.48 -10.11 C:1 16.25 -10.58 1 12 2 2 13 1 16 3 -2 17 4 -1 5 14 1 16 6 -1 7 8 1 7 13 2 8 15 2 9 13 1 9 14 2 10 11 1 10 16 1 11 17 1 12 16 1 12 17 1 14 15 1 17 15 -2', '17 18 C 17.82 -12.50 C 11.40 -13.37 C 19.76 -9.54 C 14.98 -10.01 O 16.25 -13.37 O 19.61 -10.93 C 12.60 -11.28 C 13.85 -10.58 C 13.85 -13.37 C 17.82 -8.90 C 16.40 -9.19 C 17.54 -11.15 C 12.60 -12.67 C 15.04 -12.67 C 15.04 -11.28 C 18.48 -10.11 C 16.25 -10.58 1 12 2 2 13 1 16 3 -2 17 4 -1 5 14 1 16 6 -1 7 8 1 7 13 2 8 15 2 9 13 1 9 14 2 10 11 1 10 16 1 11 17 1 12 16 1 12 17 1 14 15 1 17 15 -2', '17 18 C:108 17.82 -12.50 C:21 11.40 -13.37 C:29 19.76 -9.54 C:28 14.98 -10.01 O 16.25 -13.37 O 19.61 -10.93 C:120 12.60 -11.28 C:129 13.85 -10.58 C:118 13.85 -13.37 C:40 17.82 -8.90 C:37 16.40 -9.19 C:167 17.54 -11.15 C:137 12.60 -12.67 C:156 15.04 -12.67 C:132 15.04 -11.28 C:79 18.48 -10.11 C:50 16.25 -10.58 1 12 2 2 13 1 16 3 -2 17 4 -1 5 14 1 16 6 -1 7 8 1 7 13 2 8 15 2 9 13 1 9 14 2 10 11 1 10 16 1 11 17 1 12 16 1 12 17 1 14 15 1 17 15 -2', 'C15H20O2', 232.159, 'A', 'np05_915_3', 2131, '', '', '1', 40, NULL, NULL),
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(8743, 'ar-Bisabol-9-en-7,11-diol', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:15][c:3]1[cH:4][cH:5][c:6]([C:7]([CH3:14])(O)[CH2:8][CH:9]=[CH:10][C:11]([CH3:13])([CH3:12])O)[cH:1][cH:2]1', 'Cc1ccc(C(C)(O)CC=CC(C)(C)O)cc1', '[CH3:21][c:136]1[cH:129][cH:126][c:147]([C:74]([CH3:30])(O)[CH2:48][CH:123]=[CH:143][C:70]([CH3:30])([CH3:30])O)[cH:126][cH:129]1', '17 17 C:15 10.09 -13.24 C:13 21.02 -11.14 C:12 19.80 -9.04 C:14 15.61 -9.23 O 21.02 -9.74 O 14.21 -9.23 C:9 17.36 -10.44 C:10 18.59 -11.14 C:4 12.51 -13.24 C:2 11.30 -11.14 C:5 13.71 -12.54 C:1 12.51 -10.44 C:8 16.14 -11.14 C:3 11.30 -12.54 C:6 13.71 -11.14 C:11 19.80 -10.44 C:7 14.92 -10.44 1 14 1 2 16 1 3 16 1 4 17 1 5 16 1 6 17 1 7 8 2 7 13 1 8 16 1 9 11 2 9 14 1 10 12 1 10 14 2 11 15 1 12 15 2 13 17 1 15 17 1', '17 17 C 10.09 -13.24 C 21.02 -11.14 C 19.80 -9.04 C 15.61 -9.23 O 21.02 -9.74 O 14.21 -9.23 C 17.36 -10.44 C 18.59 -11.14 C 12.51 -13.24 C 11.30 -11.14 C 13.71 -12.54 C 12.51 -10.44 C 16.14 -11.14 C 11.30 -12.54 C 13.71 -11.14 C 19.80 -10.44 C 14.92 -10.44 1 14 1 2 16 1 3 16 1 4 17 1 5 16 1 6 17 1 7 8 2 7 13 1 8 16 1 9 11 2 9 14 1 10 12 1 10 14 2 11 15 1 12 15 2 13 17 1 15 17 1', '17 17 C:21 10.09 -13.24 C:30 21.02 -11.14 C:30 19.80 -9.04 C:30 15.61 -9.23 O 21.02 -9.74 O 14.21 -9.23 C:123 17.36 -10.44 C:143 18.59 -11.14 C:129 12.51 -13.24 C:129 11.30 -11.14 C:126 13.71 -12.54 C:126 12.51 -10.44 C:48 16.14 -11.14 C:136 11.30 -12.54 C:147 13.71 -11.14 C:70 19.80 -10.44 C:74 14.92 -10.44 1 14 1 2 16 1 3 16 1 4 17 1 5 16 1 6 17 1 7 8 2 7 13 1 8 16 1 9 11 2 9 14 1 10 12 1 10 14 2 11 15 1 12 15 2 13 17 1 15 17 1', 'C15H22O2', 234.159, 'A', 'np05_915_7', 2131, '', '', '1', 40, NULL, NULL),
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(8761, 'Naviculyl Caffeate', '', 'Terpenoids', 'Sesquiterpenoids', 'Pinguisanes', '[CH3:13][C@@H:1]2[CH2:2][CH2:3][C@@:9]3([CH3:14])[C@H:4]([CH3:15])[C:5](=[CH:10][CH2:11]O[C:11001](=O)[CH:11002]=[CH:11003][c:11004]1[cH:11009][cH:11008][c:11007](O)[c:11006](O)[cH:11005]1)[CH2:6][CH2:7][C@@:8]23[CH3:12]', 'C[C@@H]2CC[C@@]3(C)[C@H](C)C(=CCOC(=O)C=Cc1ccc(O)c(O)c1)CC[C@@]23C', '[CH3:19][C@@H:44]2[CH2:30][CH2:38][C@@:48]3([CH3:22])[C@H:41]([CH3:16])[C:150](=[CH:116][CH2:61]O[C:168](=O)[CH:116]=[CH:145][c:128]1[cH:122][cH:115][c:147](O)[c:144](O)[cH:114]1)[CH2:30][CH2:39][C@@:44]23[CH3:19]', '28 30 C:13 23.54 -14.15 C:15 20.56 -8.88 C:12 21.77 -13.78 C:14 21.77 -9.58 O 14.49 -12.38 O 7.24 -8.18 O 7.23 -10.98 C:11002 13.29 -10.28 C:11003 12.08 -10.98 C:10 18.15 -10.28 C:11009 10.87 -8.88 C:11008 9.66 -8.18 C:11005 9.66 -10.98 C:11 16.93 -10.98 C:6 19.36 -12.38 C:2 23.93 -11.68 C:7 20.56 -13.09 C:3 23.10 -10.55 O 15.72 -10.28 C:11001 14.49 -10.98 C:5 19.36 -10.98 C:11004 10.87 -10.28 C:11007 8.45 -8.88 C:11006 8.45 -10.28 C:1 23.10 -12.83 C:4 20.56 -10.28 C:8 21.77 -12.38 C:9 21.77 -10.98 25 1 -1 26 2 -1 27 3 -1 28 4 -1 5 20 2 6 23 1 7 24 1 8 9 2 8 20 1 9 22 1 10 14 1 10 21 2 11 12 1 11 22 2 12 23 2 13 22 1 13 24 2 14 19 1 15 17 1 15 21 1 16 18 1 16 25 1 17 27 1 18 28 1 19 20 1 21 26 1 23 24 1 25 27 1 26 28 1 27 28 1', '28 30 C 23.54 -14.15 C 20.56 -8.88 C 21.77 -13.78 C 21.77 -9.58 O 14.49 -12.38 O 7.24 -8.18 O 7.23 -10.98 C 13.29 -10.28 C 12.08 -10.98 C 18.15 -10.28 C 10.87 -8.88 C 9.66 -8.18 C 9.66 -10.98 C 16.93 -10.98 C 19.36 -12.38 C 23.93 -11.68 C 20.56 -13.09 C 23.10 -10.55 O 15.72 -10.28 C 14.49 -10.98 C 19.36 -10.98 C 10.87 -10.28 C 8.45 -8.88 C 8.45 -10.28 C 23.10 -12.83 C 20.56 -10.28 C 21.77 -12.38 C 21.77 -10.98 25 1 -1 26 2 -1 27 3 -1 28 4 -1 5 20 2 6 23 1 7 24 1 8 9 2 8 20 1 9 22 1 10 14 1 10 21 2 11 12 1 11 22 2 12 23 2 13 22 1 13 24 2 14 19 1 15 17 1 15 21 1 16 18 1 16 25 1 17 27 1 18 28 1 19 20 1 21 26 1 23 24 1 25 27 1 26 28 1 27 28 1', '28 30 C:19 23.54 -14.15 C:16 20.56 -8.88 C:19 21.77 -13.78 C:22 21.77 -9.58 O 14.49 -12.38 O 7.24 -8.18 O 7.23 -10.98 C:116 13.29 -10.28 C:145 12.08 -10.98 C:116 18.15 -10.28 C:122 10.87 -8.88 C:115 9.66 -8.18 C:114 9.66 -10.98 C:61 16.93 -10.98 C:30 19.36 -12.38 C:30 23.93 -11.68 C:39 20.56 -13.09 C:38 23.10 -10.55 O 15.72 -10.28 C:168 14.49 -10.98 C:150 19.36 -10.98 C:128 10.87 -10.28 C:147 8.45 -8.88 C:144 8.45 -10.28 C:44 23.10 -12.83 C:41 20.56 -10.28 C:44 21.77 -12.38 C:48 21.77 -10.98 25 1 -1 26 2 -1 27 3 -1 28 4 -1 5 20 2 6 23 1 7 24 1 8 9 2 8 20 1 9 22 1 10 14 1 10 21 2 11 12 1 11 22 2 12 23 2 13 22 1 13 24 2 14 19 1 15 17 1 15 21 1 16 18 1 16 25 1 17 27 1 18 28 1 19 20 1 21 26 1 23 24 1 25 27 1 26 28 1 27 28 1', 'C24H32O4', 384.254, 'C', 'np00_537_1', 264, '', '', '1', 15, 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
(8762, '', '5-Pinguisen-11-ol', 'Terpenoids', 'Sesquiterpenoids', 'Pinguisanes', '[CH3:13][C@@H:1]1[CH2:2][CH2:3][C@@:9]2([CH3:14])[C@H:4]([CH3:15])[C:5]([CH2:10][CH2:11]O)=[CH:6][CH2:7][C@@:8]12[CH3:12]', 'C[C@@H]1CC[C@@]2(C)[C@H](C)C(CCO)=CC[C@@]12C', '[CH3:15][C@@H:38]1[CH2:39][CH2:35][C@@:46]2([CH3:16])[C@H:37]([CH3:14])[C:135]([CH2:29][CH2:61]O)=[CH:123][CH2:32][C@@:44]12[CH3:19]', '16 17 C:13 19.26 -13.76 C:15 16.28 -8.49 C:12 17.49 -13.39 C:14 17.49 -9.19 O 11.44 -9.89 C:6 15.08 -12.00 C:11 12.65 -10.59 C:10 13.87 -9.89 C:7 16.28 -12.70 C:2 19.65 -11.29 C:3 18.82 -10.16 C:5 15.08 -10.59 C:1 18.82 -12.44 C:4 16.28 -9.89 C:8 17.49 -12.00 C:9 17.49 -10.59 13 1 -1 14 2 -1 15 3 -1 16 4 -1 5 7 1 6 9 1 6 12 2 7 8 1 8 12 1 9 15 1 10 11 1 10 13 1 11 16 1 12 14 1 13 15 1 14 16 1 15 16 1', '16 17 C 19.26 -13.76 C 16.28 -8.49 C 17.49 -13.39 C 17.49 -9.19 O 11.44 -9.89 C 15.08 -12.00 C 12.65 -10.59 C 13.87 -9.89 C 16.28 -12.70 C 19.65 -11.29 C 18.82 -10.16 C 15.08 -10.59 C 18.82 -12.44 C 16.28 -9.89 C 17.49 -12.00 C 17.49 -10.59 13 1 -1 14 2 -1 15 3 -1 16 4 -1 5 7 1 6 9 1 6 12 2 7 8 1 8 12 1 9 15 1 10 11 1 10 13 1 11 16 1 12 14 1 13 15 1 14 16 1 15 16 1', '16 17 C:15 19.26 -13.76 C:14 16.28 -8.49 C:19 17.49 -13.39 C:16 17.49 -9.19 O 11.44 -9.89 C:123 15.08 -12.00 C:61 12.65 -10.59 C:29 13.87 -9.89 C:32 16.28 -12.70 C:39 19.65 -11.29 C:35 18.82 -10.16 C:135 15.08 -10.59 C:38 18.82 -12.44 C:37 16.28 -9.89 C:44 17.49 -12.00 C:46 17.49 -10.59 13 1 -1 14 2 -1 15 3 -1 16 4 -1 5 7 1 6 9 1 6 12 2 7 8 1 8 12 1 9 15 1 10 11 1 10 13 1 11 16 1 12 14 1 13 15 1 14 16 1 15 16 1', 'C15H26O', 222.16, 'C', 'ph49_1079_1', 263, '', '', '1', 15, NULL, NULL),
(8763, '', '6a-Methoxy-pinguis-5(10)-en-11,6-olide', 'Terpenoids', 'Sesquiterpenoids', 'Pinguisanes', '[CH3:6001]O[C@@:6]23[CH2:7][C@@:8]1([CH3:12])[C@H:1]([CH3:13])[CH2:2][CH2:3][C@@:9]1([CH3:14])[C@H:4]([CH3:15])[C:5]2=[CH:10][C:11](=O)O3', 'CO[C@@]23C[C@@]1(C)[C@H](C)CC[C@@]1(C)[C@H](C)C2=CC(=O)O3', '[CH3:50]O[C@@:107]23[CH2:41][C@@:47]1([CH3:19])[C@H:36]([CH3:15])[CH2:28][CH2:33][C@@:53]1([CH3:19])[C@H:36]([CH3:11])[C:170]2=[CH:116][C:172](=O)O3', '19 21 C:6001 13.87 -13.93 C:13 19.25 -13.59 C:15 16.28 -8.32 C:14 17.49 -9.02 C:12 17.49 -13.23 O 11.51 -11.14 C:10 13.75 -9.99 C:2 19.64 -11.14 C:3 18.81 -9.99 C:7 16.28 -12.53 O 15.08 -13.23 O 13.75 -12.26 C:11 12.91 -11.14 C:5 15.08 -10.42 C:1 18.81 -12.26 C:4 16.28 -9.72 C:9 17.49 -10.42 C:8 17.49 -11.83 C:6 15.08 -11.83 1 11 1 15 2 -1 16 3 -1 17 4 -1 18 5 -1 6 13 2 7 13 1 7 14 2 8 9 1 8 15 1 9 17 1 10 18 1 10 19 1 19 11 -2 12 13 1 12 19 1 14 16 1 14 19 1 15 18 1 16 17 1 17 18 1', '19 21 C 13.87 -13.93 C 19.25 -13.59 C 16.28 -8.32 C 17.49 -9.02 C 17.49 -13.23 O 11.51 -11.14 C 13.75 -9.99 C 19.64 -11.14 C 18.81 -9.99 C 16.28 -12.53 O 15.08 -13.23 O 13.75 -12.26 C 12.91 -11.14 C 15.08 -10.42 C 18.81 -12.26 C 16.28 -9.72 C 17.49 -10.42 C 17.49 -11.83 C 15.08 -11.83 1 11 1 15 2 -1 16 3 -1 17 4 -1 18 5 -1 6 13 2 7 13 1 7 14 2 8 9 1 8 15 1 9 17 1 10 18 1 10 19 1 19 11 -2 12 13 1 12 19 1 14 16 1 14 19 1 15 18 1 16 17 1 17 18 1', '19 21 C:50 13.87 -13.93 C:15 19.25 -13.59 C:11 16.28 -8.32 C:19 17.49 -9.02 C:19 17.49 -13.23 O 11.51 -11.14 C:116 13.75 -9.99 C:28 19.64 -11.14 C:33 18.81 -9.99 C:41 16.28 -12.53 O 15.08 -13.23 O 13.75 -12.26 C:172 12.91 -11.14 C:170 15.08 -10.42 C:36 18.81 -12.26 C:36 16.28 -9.72 C:53 17.49 -10.42 C:47 17.49 -11.83 C:107 15.08 -11.83 1 11 1 15 2 -1 16 3 -1 17 4 -1 18 5 -1 6 13 2 7 13 1 7 14 2 8 9 1 8 15 1 9 17 1 10 18 1 10 19 1 19 11 -2 12 13 1 12 19 1 14 16 1 14 19 1 15 18 1 16 17 1 17 18 1', 'C16H24O3', 264.169, 'C', 'ph49_1079_2', 263, '', '', '1', 15, NULL, NULL),
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(8782, '', '2b-Angeloyl-5a,8-diisobutyryl-1b,3a,4a,10,11-pentahydroxybisabolene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH2:14]=[C:7]([C@H:8]([CH2:9][C@H:10](O)[C:11]([CH3:13])([CH3:12])O)O[C:8001](=O)[CH:8002]([CH3:8003])[CH3:8004])[C@H:6]1[C@H:1](O)[C@H:2](O[C:2001](=O)[C:2002]([CH3:2005])=[CH:2003][CH3:2004])[C@@:3]([CH3:15])(O)[C@@H:4](O)[C@H:5]1O[C:5001](=O)[CH:5002]([CH3:5004])[CH3:5003]', 'C=C([C@H](C[C@H](O)C(C)(C)O)OC(=O)C(C)C)[C@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)C(C)C', '[CH2:117]=[C:144]([C@H:76]([CH2:34][C@H:75](O)[C:72]([CH3:26])([CH3:25])O)O[C:178](=O)[CH:34]([CH3:19])[CH3:19])[C@H:40]1[C@H:65](O)[C@H:75](O[C:9999](=O)[C:9999]([CH3:9999])=[CH:9999][CH3:9999])[C@@:74]([CH3:23])(O)[C@@H:70](O)[C@H:76]1O[C:175](=O)[CH:34]([CH3:19])[CH3:19]', '39 39 C:14 18.00 -11.48 C:2004 11.96 -6.56 C:2005 9.54 -9.37 C:8003 13.18 -7.26 C:8004 14.36 -5.16 C:5004 17.94 -17.16 C:5003 19.20 -15.12 C:13 20.44 -7.26 C:12 21.65 -9.37 C:15 12.49 -14.10 O 13.18 -8.65 O 16.79 -6.56 O 15.59 -15.69 O 19.20 -10.77 O 14.36 -9.37 O 14.36 -14.98 O 21.65 -7.96 O 11.78 -12.89 C:2003 10.75 -7.26 C:9 18.00 -8.66 O 15.59 -8.66 O 16.79 -13.56 O 11.96 -10.77 C:2002 10.75 -8.66 C:7 16.79 -10.77 C:2001 11.96 -9.37 C:8001 15.59 -7.26 C:5001 16.79 -14.96 C:8002 14.36 -6.56 C:5002 17.94 -15.76 C:10 19.20 -9.37 C:1 14.36 -10.77 C:8 16.79 -9.37 C:4 14.36 -13.58 C:5 15.59 -12.88 C:6 15.59 -11.48 C:2 13.18 -11.48 C:11 20.44 -8.66 C:3 13.18 -12.88 1 25 2 2 19 1 3 24 1 4 29 1 5 29 1 6 30 1 7 30 1 8 38 1 9 38 1 39 10 -1 11 26 2 12 27 2 13 28 2 31 14 -1 32 15 -1 34 16 -2 17 38 1 39 18 -2 19 24 2 20 31 1 20 33 1 21 27 1 33 21 -1 22 28 1 35 22 -2 23 26 1 37 23 -1 24 26 1 25 33 1 36 25 -2 27 29 1 28 30 1 31 38 1 32 36 1 32 37 1 34 35 1 34 39 1 35 36 1 37 39 1', '39 39 C 18.00 -11.48 C 11.96 -6.56 C 9.54 -9.37 C 13.18 -7.26 C 14.36 -5.16 C 17.94 -17.16 C 19.20 -15.12 C 20.44 -7.26 C 21.65 -9.37 C 12.49 -14.10 O 13.18 -8.65 O 16.79 -6.56 O 15.59 -15.69 O 19.20 -10.77 O 14.36 -9.37 O 14.36 -14.98 O 21.65 -7.96 O 11.78 -12.89 C 10.75 -7.26 C 18.00 -8.66 O 15.59 -8.66 O 16.79 -13.56 O 11.96 -10.77 C 10.75 -8.66 C 16.79 -10.77 C 11.96 -9.37 C 15.59 -7.26 C 16.79 -14.96 C 14.36 -6.56 C 17.94 -15.76 C 19.20 -9.37 C 14.36 -10.77 C 16.79 -9.37 C 14.36 -13.58 C 15.59 -12.88 C 15.59 -11.48 C 13.18 -11.48 C 20.44 -8.66 C 13.18 -12.88 1 25 2 2 19 1 3 24 1 4 29 1 5 29 1 6 30 1 7 30 1 8 38 1 9 38 1 39 10 -1 11 26 2 12 27 2 13 28 2 31 14 -1 32 15 -1 34 16 -2 17 38 1 39 18 -2 19 24 2 20 31 1 20 33 1 21 27 1 33 21 -1 22 28 1 35 22 -2 23 26 1 37 23 -1 24 26 1 25 33 1 36 25 -2 27 29 1 28 30 1 31 38 1 32 36 1 32 37 1 34 35 1 34 39 1 35 36 1 37 39 1', '39 39 C:117 18.00 -11.48 C 11.96 -6.56 C 9.54 -9.37 C:19 13.18 -7.26 C:19 14.36 -5.16 C:19 17.94 -17.16 C:19 19.20 -15.12 C:26 20.44 -7.26 C:25 21.65 -9.37 C:23 12.49 -14.10 O 13.18 -8.65 O 16.79 -6.56 O 15.59 -15.69 O 19.20 -10.77 O 14.36 -9.37 O 14.36 -14.98 O 21.65 -7.96 O 11.78 -12.89 C 10.75 -7.26 C:34 18.00 -8.66 O 15.59 -8.66 O 16.79 -13.56 O 11.96 -10.77 C 10.75 -8.66 C:144 16.79 -10.77 C 11.96 -9.37 C:178 15.59 -7.26 C:175 16.79 -14.96 C:34 14.36 -6.56 C:34 17.94 -15.76 C:75 19.20 -9.37 C:65 14.36 -10.77 C:76 16.79 -9.37 C:70 14.36 -13.58 C:76 15.59 -12.88 C:40 15.59 -11.48 C:75 13.18 -11.48 C:72 20.44 -8.66 C:74 13.18 -12.88 1 25 2 2 19 1 3 24 1 4 29 1 5 29 1 6 30 1 7 30 1 8 38 1 9 38 1 39 10 -1 11 26 2 12 27 2 13 28 2 31 14 -1 32 15 -1 34 16 -2 17 38 1 39 18 -2 19 24 2 20 31 1 20 33 1 21 27 1 33 21 -1 22 28 1 35 22 -2 23 26 1 37 23 -1 24 26 1 25 33 1 36 25 -2 27 29 1 28 30 1 31 38 1 32 36 1 32 37 1 34 35 1 34 39 1 35 36 1 37 39 1', 'C28H46O11', 558.293, 'C', 'np96_1117_1', 370, '', '', '1', 26, NULL, NULL),
(8783, '', '4a-Acetyl-2b-angeloyl-5a,10-diisobutyryl-1b,3a,8,-11-tetrahydroxybisabolene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH2:14]=[C:7]([C@@H:8](O)[CH2:9][C@H:10](O[C:10001](=O)[CH:10002]([CH3:10003])[CH3:10004])[C:11]([CH3:13])([CH3:12])O)[C@H:6]1[C@H:1](O)[C@H:2](O[C:2001](=O)[C:2002]([CH3:2005])=[CH:2003][CH3:2004])[C@@:3]([CH3:15])(O)[C@@H:4](O[C:4001]([CH3:4002])=O)[C@H:5]1O[C:5001](=O)[CH:5002]([CH3:5004])[CH3:5003]', 'C=C([C@@H](O)C[C@H](OC(=O)C(C)C)C(C)(C)O)[C@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@](C)(O)[C@@H](OC(C)=O)[C@H]1OC(=O)C(C)C', '[CH2:118]=[C:141]([C@@H:75](O)[CH2:35][C@H:78](O[C:177](=O)[CH:35]([CH3:18])[CH3:19])[C:73]([CH3:26])([CH3:23])O)[C@H:41]1[C@H:65](O)[C@H:76](O[C:167](=O)[C:127]([CH3:21])=[CH:139][CH3:16])[C@@:74]([CH3:23])(O)[C@@H:72](O[C:9999]([CH3:9999])=O)[C@H:70]1O[C:175](=O)[CH:35]([CH3:19])[CH3:19]', '42 42 C:14 18.00 -10.74 C:2004 11.95 -5.83 C:4002 13.14 -16.35 C:2005 9.53 -8.63 C:10003 21.63 -12.84 C:10004 19.21 -12.83 C:5004 17.94 -16.43 C:5003 19.21 -14.38 C:13 20.42 -6.53 C:12 21.63 -8.63 C:15 12.48 -13.36 O 11.93 -14.24 O 13.14 -7.93 O 21.63 -10.03 O 15.58 -14.95 O 15.58 -7.92 O 14.35 -8.63 O 21.63 -7.23 O 11.77 -12.15 C:2003 10.74 -6.53 C:9 18.00 -7.93 O 14.35 -14.24 O 19.21 -10.03 O 16.79 -12.82 O 11.93 -10.03 C:4001 13.14 -14.94 C:2002 10.74 -7.93 C:7 16.79 -10.03 C:2001 11.93 -8.63 C:10001 20.42 -10.74 C:5001 16.79 -14.24 C:10002 20.42 -12.14 C:5002 17.94 -15.02 C:8 16.79 -8.63 C:1 14.35 -10.03 C:10 19.21 -8.63 C:5 15.58 -12.15 C:6 15.58 -10.74 C:2 13.14 -10.74 C:4 14.35 -12.84 C:11 20.42 -7.92 C:3 13.14 -12.15 1 28 2 2 20 1 3 26 1 4 27 1 5 32 1 6 32 1 7 33 1 8 33 1 9 41 1 10 41 1 42 11 -1 12 26 2 13 29 2 14 30 2 15 31 2 34 16 -1 35 17 -1 18 41 1 42 19 -2 20 27 2 21 34 1 21 36 1 22 26 1 40 22 -2 23 30 1 36 23 -1 24 31 1 37 24 -2 25 29 1 39 25 -1 27 29 1 28 34 1 38 28 -2 30 32 1 31 33 1 35 38 1 35 39 1 36 41 1 37 38 1 37 40 1 39 42 1 40 42 1', '42 42 C 18.00 -10.74 C 11.95 -5.83 C 13.14 -16.35 C 9.53 -8.63 C 21.63 -12.84 C 19.21 -12.83 C 17.94 -16.43 C 19.21 -14.38 C 20.42 -6.53 C 21.63 -8.63 C 12.48 -13.36 O 11.93 -14.24 O 13.14 -7.93 O 21.63 -10.03 O 15.58 -14.95 O 15.58 -7.92 O 14.35 -8.63 O 21.63 -7.23 O 11.77 -12.15 C 10.74 -6.53 C 18.00 -7.93 O 14.35 -14.24 O 19.21 -10.03 O 16.79 -12.82 O 11.93 -10.03 C 13.14 -14.94 C 10.74 -7.93 C 16.79 -10.03 C 11.93 -8.63 C 20.42 -10.74 C 16.79 -14.24 C 20.42 -12.14 C 17.94 -15.02 C 16.79 -8.63 C 14.35 -10.03 C 19.21 -8.63 C 15.58 -12.15 C 15.58 -10.74 C 13.14 -10.74 C 14.35 -12.84 C 20.42 -7.92 C 13.14 -12.15 1 28 2 2 20 1 3 26 1 4 27 1 5 32 1 6 32 1 7 33 1 8 33 1 9 41 1 10 41 1 42 11 -1 12 26 2 13 29 2 14 30 2 15 31 2 34 16 -1 35 17 -1 18 41 1 42 19 -2 20 27 2 21 34 1 21 36 1 22 26 1 40 22 -2 23 30 1 36 23 -1 24 31 1 37 24 -2 25 29 1 39 25 -1 27 29 1 28 34 1 38 28 -2 30 32 1 31 33 1 35 38 1 35 39 1 36 41 1 37 38 1 37 40 1 39 42 1 40 42 1', '42 42 C:118 18.00 -10.74 C:16 11.95 -5.83 C 13.14 -16.35 C:21 9.53 -8.63 C:18 21.63 -12.84 C:19 19.21 -12.83 C:19 17.94 -16.43 C:19 19.21 -14.38 C:26 20.42 -6.53 C:23 21.63 -8.63 C:23 12.48 -13.36 O 11.93 -14.24 O 13.14 -7.93 O 21.63 -10.03 O 15.58 -14.95 O 15.58 -7.92 O 14.35 -8.63 O 21.63 -7.23 O 11.77 -12.15 C:139 10.74 -6.53 C:35 18.00 -7.93 O 14.35 -14.24 O 19.21 -10.03 O 16.79 -12.82 O 11.93 -10.03 C 13.14 -14.94 C:127 10.74 -7.93 C:141 16.79 -10.03 C:167 11.93 -8.63 C:177 20.42 -10.74 C:175 16.79 -14.24 C:35 20.42 -12.14 C:35 17.94 -15.02 C:75 16.79 -8.63 C:65 14.35 -10.03 C:78 19.21 -8.63 C:70 15.58 -12.15 C:41 15.58 -10.74 C:76 13.14 -10.74 C:72 14.35 -12.84 C:73 20.42 -7.92 C:74 13.14 -12.15 1 28 2 2 20 1 3 26 1 4 27 1 5 32 1 6 32 1 7 33 1 8 33 1 9 41 1 10 41 1 42 11 -1 12 26 2 13 29 2 14 30 2 15 31 2 34 16 -1 35 17 -1 18 41 1 42 19 -2 20 27 2 21 34 1 21 36 1 22 26 1 40 22 -2 23 30 1 36 23 -1 24 31 1 37 24 -2 25 29 1 39 25 -1 27 29 1 28 34 1 38 28 -2 30 32 1 31 33 1 35 38 1 35 39 1 36 41 1 37 38 1 37 40 1 39 42 1 40 42 1', 'C30H48O12', 600.314, 'C', 'np96_1117_2', 370, '', '', '1', 26, 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
(8784, '', '4a-Acetyl-2b-angeloyl-5a,8-diisobutyryl-1b,3a,-10,11-tetrahydroxybisabolene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH2:14]=[C:7]([C@H:8]([CH2:9][C@H:10](O)[C:11]([CH3:13])([CH3:12])O)O[C:8001](=O)[CH:8002]([CH3:8003])[CH3:8004])[C@H:6]1[C@H:1](O)[C@H:2](O[C:2001](=O)[C:2002]([CH3:2005])=[CH:2003][CH3:2004])[C@@:3]([CH3:15])(O)[C@@H:4](O[C:4001]([CH3:4002])=O)[C@H:5]1O[C:5001](=O)[CH:5002]([CH3:5004])[CH3:5003]', 'C=C([C@H](C[C@H](O)C(C)(C)O)OC(=O)C(C)C)[C@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@](C)(O)[C@@H](OC(C)=O)[C@H]1OC(=O)C(C)C', '[CH2:114]=[C:146]([C@H:77]([CH2:36][C@H:71](O)[C:72]([CH3:26])([CH3:26])O)O[C:178](=O)[CH:34]([CH3:19])[CH3:19])[C@H:42]1[C@H:65](O)[C@H:76](O[C:167](=O)[C:127]([CH3:21])=[CH:139][CH3:9999])[C@@:74]([CH3:23])(O)[C@@H:72](O[C:9999]([CH3:9999])=O)[C@H:71]1O[C:176](=O)[CH:34]([CH3:19])[CH3:19]', '42 42 C:14 17.99 -11.49 C:2004 11.91 -6.56 C:4002 13.14 -17.09 C:2005 9.53 -9.37 C:8003 13.14 -7.26 C:8004 14.36 -5.16 C:5004 17.93 -17.17 C:5003 19.19 -15.14 C:13 20.43 -7.26 C:12 21.64 -9.37 C:15 12.48 -14.12 O 11.91 -15.00 O 13.14 -8.65 O 16.78 -6.56 O 15.59 -15.71 O 19.19 -10.78 O 14.36 -9.37 O 21.64 -7.96 O 11.77 -12.91 C:2003 10.74 -7.26 C:9 17.99 -8.66 O 14.36 -15.00 O 15.59 -8.66 O 16.78 -13.58 O 11.91 -10.78 C:4001 13.14 -15.70 C:2002 10.74 -8.66 C:7 16.78 -10.78 C:2001 11.91 -9.37 C:8001 15.59 -7.26 C:5001 16.78 -14.98 C:8002 14.36 -6.56 C:5002 17.93 -15.78 C:10 19.19 -9.37 C:1 14.36 -10.78 C:8 16.78 -9.37 C:5 15.59 -12.90 C:6 15.59 -11.49 C:2 13.14 -11.49 C:4 14.36 -13.60 C:11 20.43 -8.66 C:3 13.14 -12.90 1 28 2 2 20 1 3 26 1 4 27 1 5 32 1 6 32 1 7 33 1 8 33 1 9 41 1 10 41 1 42 11 -1 12 26 2 13 29 2 14 30 2 15 31 2 34 16 -1 35 17 -1 18 41 1 42 19 -2 20 27 2 21 34 1 21 36 1 22 26 1 40 22 -2 23 30 1 36 23 -1 24 31 1 37 24 -2 25 29 1 39 25 -1 27 29 1 28 36 1 38 28 -2 30 32 1 31 33 1 34 41 1 35 38 1 35 39 1 37 38 1 37 40 1 39 42 1 40 42 1', '42 42 C 17.99 -11.49 C 11.91 -6.56 C 13.14 -17.09 C 9.53 -9.37 C 13.14 -7.26 C 14.36 -5.16 C 17.93 -17.17 C 19.19 -15.14 C 20.43 -7.26 C 21.64 -9.37 C 12.48 -14.12 O 11.91 -15.00 O 13.14 -8.65 O 16.78 -6.56 O 15.59 -15.71 O 19.19 -10.78 O 14.36 -9.37 O 21.64 -7.96 O 11.77 -12.91 C 10.74 -7.26 C 17.99 -8.66 O 14.36 -15.00 O 15.59 -8.66 O 16.78 -13.58 O 11.91 -10.78 C 13.14 -15.70 C 10.74 -8.66 C 16.78 -10.78 C 11.91 -9.37 C 15.59 -7.26 C 16.78 -14.98 C 14.36 -6.56 C 17.93 -15.78 C 19.19 -9.37 C 14.36 -10.78 C 16.78 -9.37 C 15.59 -12.90 C 15.59 -11.49 C 13.14 -11.49 C 14.36 -13.60 C 20.43 -8.66 C 13.14 -12.90 1 28 2 2 20 1 3 26 1 4 27 1 5 32 1 6 32 1 7 33 1 8 33 1 9 41 1 10 41 1 42 11 -1 12 26 2 13 29 2 14 30 2 15 31 2 34 16 -1 35 17 -1 18 41 1 42 19 -2 20 27 2 21 34 1 21 36 1 22 26 1 40 22 -2 23 30 1 36 23 -1 24 31 1 37 24 -2 25 29 1 39 25 -1 27 29 1 28 36 1 38 28 -2 30 32 1 31 33 1 34 41 1 35 38 1 35 39 1 37 38 1 37 40 1 39 42 1 40 42 1', '42 42 C:114 17.99 -11.49 C 11.91 -6.56 C 13.14 -17.09 C:21 9.53 -9.37 C:19 13.14 -7.26 C:19 14.36 -5.16 C:19 17.93 -17.17 C:19 19.19 -15.14 C:26 20.43 -7.26 C:26 21.64 -9.37 C:23 12.48 -14.12 O 11.91 -15.00 O 13.14 -8.65 O 16.78 -6.56 O 15.59 -15.71 O 19.19 -10.78 O 14.36 -9.37 O 21.64 -7.96 O 11.77 -12.91 C:139 10.74 -7.26 C:36 17.99 -8.66 O 14.36 -15.00 O 15.59 -8.66 O 16.78 -13.58 O 11.91 -10.78 C 13.14 -15.70 C:127 10.74 -8.66 C:146 16.78 -10.78 C:167 11.91 -9.37 C:178 15.59 -7.26 C:176 16.78 -14.98 C:34 14.36 -6.56 C:34 17.93 -15.78 C:71 19.19 -9.37 C:65 14.36 -10.78 C:77 16.78 -9.37 C:71 15.59 -12.90 C:42 15.59 -11.49 C:76 13.14 -11.49 C:72 14.36 -13.60 C:72 20.43 -8.66 C:74 13.14 -12.90 1 28 2 2 20 1 3 26 1 4 27 1 5 32 1 6 32 1 7 33 1 8 33 1 9 41 1 10 41 1 42 11 -1 12 26 2 13 29 2 14 30 2 15 31 2 34 16 -1 35 17 -1 18 41 1 42 19 -2 20 27 2 21 34 1 21 36 1 22 26 1 40 22 -2 23 30 1 36 23 -1 24 31 1 37 24 -2 25 29 1 39 25 -1 27 29 1 28 36 1 38 28 -2 30 32 1 31 33 1 34 41 1 35 38 1 35 39 1 37 38 1 37 40 1 39 42 1 40 42 1', 'C30H48O12', 600.314, 'C', 'np96_1117_3', 370, 'error:20 ppm C-2d', '', '2', 26, NULL, NULL),
(8785, '', '2b-Angeloyl-5a,8-diisobutyryl-1b,3a,4a,9,10,11-hexahydroxybisabolene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH2:14]=[C:7]([C@@H:8](O[C:8001](=O)[CH:8002]([CH3:8003])[CH3:8004])[CH:9](O)[C@H:10](O)[C:11]([CH3:13])([CH3:12])O)[C@H:6]1[C@H:1](O)[C@H:2](O[C:2001](=O)[C:2002]([CH3:2005])=[CH:2003][CH3:2004])[C@@:3]([CH3:15])(O)[C@@H:4](O)[C@H:5]1O[C:5001](=O)[CH:5002]([CH3:5004])[CH3:5003]', 'C=C([C@@H](OC(=O)C(C)C)C(O)[C@H](O)C(C)(C)O)[C@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@](C)(O)[C@@H](O)[C@H]1OC(=O)C(C)C', '[CH2:118]=[C:144]([C@@H:76](O[C:177](=O)[CH:34]([CH3:19])[CH3:19])[CH:73](O)[C@H:72](O)[C:72]([CH3:26])([CH3:26])O)[C@H:41]1[C@H:65](O)[C@H:74](O[C:167](=O)[C:127]([CH3:21])=[CH:139][CH3:9999])[C@@:73]([CH3:24])(O)[C@@H:71](O)[C@H:76]1O[C:177](=O)[CH:34]([CH3:19])[CH3:19]', '40 40 C:14 17.96 -11.44 C:2004 11.92 -6.52 C:2005 9.50 -9.33 C:8003 13.14 -7.22 C:8004 14.32 -5.11 C:5004 17.90 -17.13 C:5003 19.16 -15.08 C:13 20.40 -7.22 C:12 21.61 -9.33 C:15 12.45 -14.06 O 13.14 -8.62 O 16.74 -6.52 O 15.54 -15.65 O 17.96 -7.22 O 14.32 -9.33 O 19.16 -10.73 O 14.32 -14.94 O 21.61 -7.92 O 11.74 -12.85 C:2003 10.71 -7.22 O 15.54 -8.61 O 16.74 -13.54 O 11.92 -10.73 C:2002 10.71 -8.62 C:7 16.74 -10.73 C:2001 11.92 -9.33 C:8001 15.54 -7.22 C:5001 16.74 -14.94 C:8002 14.32 -6.52 C:5002 17.90 -15.72 C:9 17.96 -8.62 C:1 14.32 -10.73 C:10 19.16 -9.33 C:4 14.32 -13.54 C:8 16.74 -9.33 C:5 15.54 -12.84 C:2 13.14 -11.44 C:6 15.54 -11.44 C:11 20.40 -8.61 C:3 13.14 -12.85 1 25 2 2 20 1 3 24 1 4 29 1 5 29 1 6 30 1 7 30 1 8 39 1 9 39 1 40 10 -1 11 26 2 12 27 2 13 28 2 14 31 1 32 15 -1 33 16 -1 34 17 -2 18 39 1 40 19 -2 20 24 2 21 27 1 35 21 -1 22 28 1 36 22 -2 23 26 1 37 23 -1 24 26 1 25 35 1 38 25 -2 27 29 1 28 30 1 31 33 1 31 35 1 32 37 1 32 38 1 33 39 1 34 36 1 34 40 1 36 38 1 37 40 1', '40 40 C 17.96 -11.44 C 11.92 -6.52 C 9.50 -9.33 C 13.14 -7.22 C 14.32 -5.11 C 17.90 -17.13 C 19.16 -15.08 C 20.40 -7.22 C 21.61 -9.33 C 12.45 -14.06 O 13.14 -8.62 O 16.74 -6.52 O 15.54 -15.65 O 17.96 -7.22 O 14.32 -9.33 O 19.16 -10.73 O 14.32 -14.94 O 21.61 -7.92 O 11.74 -12.85 C 10.71 -7.22 O 15.54 -8.61 O 16.74 -13.54 O 11.92 -10.73 C 10.71 -8.62 C 16.74 -10.73 C 11.92 -9.33 C 15.54 -7.22 C 16.74 -14.94 C 14.32 -6.52 C 17.90 -15.72 C 17.96 -8.62 C 14.32 -10.73 C 19.16 -9.33 C 14.32 -13.54 C 16.74 -9.33 C 15.54 -12.84 C 13.14 -11.44 C 15.54 -11.44 C 20.40 -8.61 C 13.14 -12.85 1 25 2 2 20 1 3 24 1 4 29 1 5 29 1 6 30 1 7 30 1 8 39 1 9 39 1 40 10 -1 11 26 2 12 27 2 13 28 2 14 31 1 32 15 -1 33 16 -1 34 17 -2 18 39 1 40 19 -2 20 24 2 21 27 1 35 21 -1 22 28 1 36 22 -2 23 26 1 37 23 -1 24 26 1 25 35 1 38 25 -2 27 29 1 28 30 1 31 33 1 31 35 1 32 37 1 32 38 1 33 39 1 34 36 1 34 40 1 36 38 1 37 40 1', '40 40 C:118 17.96 -11.44 C 11.92 -6.52 C:21 9.50 -9.33 C:19 13.14 -7.22 C:19 14.32 -5.11 C:19 17.90 -17.13 C:19 19.16 -15.08 C:26 20.40 -7.22 C:26 21.61 -9.33 C:24 12.45 -14.06 O 13.14 -8.62 O 16.74 -6.52 O 15.54 -15.65 O 17.96 -7.22 O 14.32 -9.33 O 19.16 -10.73 O 14.32 -14.94 O 21.61 -7.92 O 11.74 -12.85 C:139 10.71 -7.22 O 15.54 -8.61 O 16.74 -13.54 O 11.92 -10.73 C:127 10.71 -8.62 C:144 16.74 -10.73 C:167 11.92 -9.33 C:177 15.54 -7.22 C:177 16.74 -14.94 C:34 14.32 -6.52 C:34 17.90 -15.72 C:73 17.96 -8.62 C:65 14.32 -10.73 C:72 19.16 -9.33 C:71 14.32 -13.54 C:76 16.74 -9.33 C:76 15.54 -12.84 C:74 13.14 -11.44 C:41 15.54 -11.44 C:72 20.40 -8.61 C:73 13.14 -12.85 1 25 2 2 20 1 3 24 1 4 29 1 5 29 1 6 30 1 7 30 1 8 39 1 9 39 1 40 10 -1 11 26 2 12 27 2 13 28 2 14 31 1 32 15 -1 33 16 -1 34 17 -2 18 39 1 40 19 -2 20 24 2 21 27 1 35 21 -1 22 28 1 36 22 -2 23 26 1 37 23 -1 24 26 1 25 35 1 38 25 -2 27 29 1 28 30 1 31 33 1 31 35 1 32 37 1 32 38 1 33 39 1 34 36 1 34 40 1 36 38 1 37 40 1', 'C28H46O12', 574.292, 'C', 'np96_1117_4', 370, 'error:20.5 ppm C-2d', '', '1', 26, NULL, NULL),
(8786, 'Rigidone', '', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:12][C:11]([CH3:13])=[CH:10][CH2:9][CH2:8][C@H:7]([CH3:14])[c:6]1[c:5](O)[cH:4][c:3]([CH3:15])[c:2](=O)[c:1]1=O', 'CC(C)=CCC[C@H](C)c1c(O)cc(C)c(=O)c1=O', '[CH3:18][C:131]([CH3:26])=[CH:125][CH2:27][CH2:34][C@H:29]([CH3:18])[c:125]1[c:151](O)[cH:136][c:141]([CH3:15])[c:184](=O)[c:187]1=O', '18 18 C:12 19.82 -9.06 C:13 21.04 -11.15 C:15 10.11 -13.27 C:14 14.94 -9.06 O 10.11 -10.46 O 12.52 -9.06 O 14.94 -13.24 C:10 18.63 -11.15 C:4 12.52 -13.27 C:9 17.37 -10.44 C:8 16.15 -11.15 C:11 19.82 -10.44 C:3 11.33 -12.55 C:5 13.74 -12.55 C:6 13.74 -11.15 C:2 11.33 -11.15 C:1 12.52 -10.44 C:7 14.95 -10.44 1 12 1 2 12 1 3 13 1 18 4 -1 5 16 2 6 17 2 7 14 1 8 10 1 8 12 2 9 13 2 9 14 1 10 11 1 11 18 1 13 16 1 14 15 2 15 17 1 15 18 1 16 17 1', '18 18 C 19.82 -9.06 C 21.04 -11.15 C 10.11 -13.27 C 14.94 -9.06 O 10.11 -10.46 O 12.52 -9.06 O 14.94 -13.24 C 18.63 -11.15 C 12.52 -13.27 C 17.37 -10.44 C 16.15 -11.15 C 19.82 -10.44 C 11.33 -12.55 C 13.74 -12.55 C 13.74 -11.15 C 11.33 -11.15 C 12.52 -10.44 C 14.95 -10.44 1 12 1 2 12 1 3 13 1 18 4 -1 5 16 2 6 17 2 7 14 1 8 10 1 8 12 2 9 13 2 9 14 1 10 11 1 11 18 1 13 16 1 14 15 2 15 17 1 15 18 1 16 17 1', '18 18 C:18 19.82 -9.06 C:26 21.04 -11.15 C:15 10.11 -13.27 C:18 14.94 -9.06 O 10.11 -10.46 O 12.52 -9.06 O 14.94 -13.24 C:125 18.63 -11.15 C:136 12.52 -13.27 C:27 17.37 -10.44 C:34 16.15 -11.15 C:131 19.82 -10.44 C:141 11.33 -12.55 C:151 13.74 -12.55 C:125 13.74 -11.15 C:184 11.33 -11.15 C:187 12.52 -10.44 C:29 14.95 -10.44 1 12 1 2 12 1 3 13 1 18 4 -1 5 16 2 6 17 2 7 14 1 8 10 1 8 12 2 9 13 2 9 14 1 10 11 1 11 18 1 13 16 1 14 15 2 15 17 1 15 18 1 16 17 1', 'C15H20O3', 248.159, 'C', 'np97_309_1', 655, '6', '', '1', 26, NULL, NULL),
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(8801, '', '11-Methoxyopposit-4(15)-en-1b-ol', 'Terpenoids', 'Sesquiterpenoids', 'Oppositanes', '[H][C@:5]12[C:4](=[CH2:15])[CH2:3][CH2:2][C@@H:1](O)[C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:6]2[CH2:7][C:11]([CH3:13])([CH3:12])O[CH3:11001]', '[H][C@]12C(=C)CC[C@@H](O)[C@]1(C)CC[C@@H]2CC(C)(C)OC', '[H][C@:58]12[C:146](=[CH2:107])[CH2:35][CH2:32][C@@H:79](O)[C@:48]1([CH3:12])[CH2:37][CH2:30][C@@H:33]2[CH2:46][C:75]([CH3:26])([CH3:26])O[CH3:49]', '19 20 H 14.24 -12.00 C:15 13.00 -13.22 C:11001 19.32 -14.73 C:13 17.96 -14.52 C:12 18.36 -12.08 C:14 14.24 -8.23 O 13.00 -7.54 C:3 11.76 -11.09 C:2 11.76 -9.65 C:8 16.46 -10.50 C:9 15.70 -9.30 C:7 16.07 -12.94 O 18.83 -13.42 C:4 13.00 -11.80 C:1 13.00 -8.94 C:6 15.55 -11.62 C:11 17.45 -13.22 C:5 14.24 -11.09 C:10 14.24 -9.65 18 1 -2 2 14 2 3 13 1 4 17 1 5 17 1 19 6 -1 15 7 -1 8 9 1 8 14 1 9 15 1 10 11 1 10 16 1 11 19 1 16 12 -2 12 17 1 13 17 1 14 18 1 15 19 1 16 18 1 18 19 1', '19 20 H 14.24 -12.00 C 13.00 -13.22 C 19.32 -14.73 C 17.96 -14.52 C 18.36 -12.08 C 14.24 -8.23 O 13.00 -7.54 C 11.76 -11.09 C 11.76 -9.65 C 16.46 -10.50 C 15.70 -9.30 C 16.07 -12.94 O 18.83 -13.42 C 13.00 -11.80 C 13.00 -8.94 C 15.55 -11.62 C 17.45 -13.22 C 14.24 -11.09 C 14.24 -9.65 18 1 -2 2 14 2 3 13 1 4 17 1 5 17 1 19 6 -1 15 7 -1 8 9 1 8 14 1 9 15 1 10 11 1 10 16 1 11 19 1 16 12 -2 12 17 1 13 17 1 14 18 1 15 19 1 16 18 1 18 19 1', '19 20 H 14.24 -12.00 C:107 13.00 -13.22 C:49 19.32 -14.73 C:26 17.96 -14.52 C:26 18.36 -12.08 C:12 14.24 -8.23 O 13.00 -7.54 C:35 11.76 -11.09 C:32 11.76 -9.65 C:30 16.46 -10.50 C:37 15.70 -9.30 C:46 16.07 -12.94 O 18.83 -13.42 C:146 13.00 -11.80 C:79 13.00 -8.94 C:33 15.55 -11.62 C:75 17.45 -13.22 C:58 14.24 -11.09 C:48 14.24 -9.65 18 1 -2 2 14 2 3 13 1 4 17 1 5 17 1 19 6 -1 15 7 -1 8 9 1 8 14 1 9 15 1 10 11 1 10 16 1 11 19 1 16 12 -2 12 17 1 13 17 1 14 18 1 15 19 1 16 18 1 18 19 1', 'C16H28O2', 252.178, 'C', 'cpb03_545_3', 946, '', '', '1', 12, 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
(8802, '', '15-Methoxyisodauc-3-ene-1b,5a-diol', 'Terpenoids', 'Sesquiterpenoids', 'Isodaucanes', '[H][C@@:5]12[C@@H:6](O)[C:7]([CH2:14]O[CH3:14001])=[CH:8][CH2:9][C@H:10](O)[C@@:1]1([CH3:15])[CH2:2][CH2:3][C@@H:4]2[CH:11]([CH3:13])[CH3:12]', '[H][C@@]12[C@@H](O)C(COC)=CC[C@H](O)[C@@]1(C)CC[C@@H]2C(C)C', '[H][C@@:49]12[C@@H:84](O)[C:135]([CH2:80]O[CH3:58])=[CH:133][CH2:35][C@H:79](O)[C@@:46]1([CH3:13])[CH2:39][CH2:22][C@@H:46]2[CH:26]([CH3:24])[CH3:19]', '20 21 H 15.53 -11.23 C:14001 18.18 -15.30 C:13 14.12 -12.84 C:12 12.14 -11.52 C:15 16.28 -7.51 O 17.78 -7.03 O 16.07 -12.75 C:8 19.04 -10.58 C:9 18.84 -9.15 C:3 14.01 -8.92 C:14 18.55 -12.92 C:2 15.15 -8.09 O 17.68 -14.00 C:7 18.05 -11.60 C:11 13.64 -11.52 C:10 17.63 -8.42 C:6 16.65 -11.48 C:4 14.45 -10.30 C:1 16.29 -8.92 C:5 15.86 -10.30 20 1 -2 2 13 1 3 15 1 4 15 1 19 5 -1 16 6 -1 17 7 -2 8 9 1 8 14 2 9 16 1 10 12 1 10 18 1 11 13 1 11 14 1 12 19 1 14 17 1 18 15 -1 16 19 1 17 20 1 18 20 1 19 20 1', '20 21 H 15.53 -11.23 C 18.18 -15.30 C 14.12 -12.84 C 12.14 -11.52 C 16.28 -7.51 O 17.78 -7.03 O 16.07 -12.75 C 19.04 -10.58 C 18.84 -9.15 C 14.01 -8.92 C 18.55 -12.92 C 15.15 -8.09 O 17.68 -14.00 C 18.05 -11.60 C 13.64 -11.52 C 17.63 -8.42 C 16.65 -11.48 C 14.45 -10.30 C 16.29 -8.92 C 15.86 -10.30 20 1 -2 2 13 1 3 15 1 4 15 1 19 5 -1 16 6 -1 17 7 -2 8 9 1 8 14 2 9 16 1 10 12 1 10 18 1 11 13 1 11 14 1 12 19 1 14 17 1 18 15 -1 16 19 1 17 20 1 18 20 1 19 20 1', '20 21 H 15.53 -11.23 C:58 18.18 -15.30 C:24 14.12 -12.84 C:19 12.14 -11.52 C:13 16.28 -7.51 O 17.78 -7.03 O 16.07 -12.75 C:133 19.04 -10.58 C:35 18.84 -9.15 C:22 14.01 -8.92 C:80 18.55 -12.92 C:39 15.15 -8.09 O 17.68 -14.00 C:135 18.05 -11.60 C:26 13.64 -11.52 C:79 17.63 -8.42 C:84 16.65 -11.48 C:46 14.45 -10.30 C:46 16.29 -8.92 C:49 15.86 -10.30 20 1 -2 2 13 1 3 15 1 4 15 1 19 5 -1 16 6 -1 17 7 -2 8 9 1 8 14 2 9 16 1 10 12 1 10 18 1 11 13 1 11 14 1 12 19 1 14 17 1 18 15 -1 16 19 1 17 20 1 18 20 1 19 20 1', 'C16H28O3', 268.177, 'C', 'cpb03_545_4', 946, '1', '', '1', 12, NULL, NULL),
(8803, '', '10a-Hydroxycadin-4-en-15-al', 'Terpenoids', 'Sesquiterpenoids', 'Cadinanes', '[H][C@@:6]12[CH:5]=[C:4]([CH:14]=O)[CH2:3][CH2:2][C@@:1]1([H])[C@:10]([CH3:10001])(O)[CH2:9][CH2:8][C@H:7]2[CH:11]([CH3:12])[CH3:13]', '[H][C@@]12C=C(C=O)CC[C@@]1([H])[C@](C)(O)CC[C@H]2C(C)C', '[H][C@@:41]12[CH:152]=[C:142]([CH:195]=O)[CH2:22][CH2:21][C@@:50]1([H])[C@:72]([CH3:21])(O)[CH2:42][CH2:22][C@H:46]2[CH:26]([CH3:15])[CH3:21]', '19 20 H 16.79 -12.39 H 16.79 -8.83 C:12 16.79 -14.26 C:13 19.30 -14.26 C:10001 18.94 -8.11 O 11.82 -11.39 O 17.32 -8.00 C:14 12.97 -12.08 C:5 15.54 -12.08 C:3 14.29 -9.91 C:8 19.30 -11.39 C:9 19.30 -9.91 C:2 15.54 -9.19 C:4 14.29 -11.39 C:11 18.05 -13.48 C:7 18.05 -12.08 C:10 18.05 -9.19 C:6 16.79 -11.39 C:1 16.79 -9.91 18 1 -1 19 2 -2 3 15 1 4 15 1 17 5 -1 6 8 2 17 7 -2 8 14 1 9 14 2 9 18 1 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 19 1 16 15 -1 16 18 1 17 19 1 18 19 1', '19 20 H 16.79 -12.39 H 16.79 -8.83 C 16.79 -14.26 C 19.30 -14.26 C 18.94 -8.11 O 11.82 -11.39 O 17.32 -8.00 C 12.97 -12.08 C 15.54 -12.08 C 14.29 -9.91 C 19.30 -11.39 C 19.30 -9.91 C 15.54 -9.19 C 14.29 -11.39 C 18.05 -13.48 C 18.05 -12.08 C 18.05 -9.19 C 16.79 -11.39 C 16.79 -9.91 18 1 -1 19 2 -2 3 15 1 4 15 1 17 5 -1 6 8 2 17 7 -2 8 14 1 9 14 2 9 18 1 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 19 1 16 15 -1 16 18 1 17 19 1 18 19 1', '19 20 H 16.79 -12.39 H 16.79 -8.83 C:15 16.79 -14.26 C:21 19.30 -14.26 C:21 18.94 -8.11 O 11.82 -11.39 O 17.32 -8.00 C:195 12.97 -12.08 C:152 15.54 -12.08 C:22 14.29 -9.91 C:22 19.30 -11.39 C:42 19.30 -9.91 C:21 15.54 -9.19 C:142 14.29 -11.39 C:26 18.05 -13.48 C:46 18.05 -12.08 C:72 18.05 -9.19 C:41 16.79 -11.39 C:50 16.79 -9.91 18 1 -1 19 2 -2 3 15 1 4 15 1 17 5 -1 6 8 2 17 7 -2 8 14 1 9 14 2 9 18 1 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 19 1 16 15 -1 16 18 1 17 19 1 18 19 1', 'C15H24O2', 236.175, 'C', 'cpb03_545_5', 946, '', '', '1', 12, NULL, NULL),
(8804, 'Philadelphinone ', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[C@H:6](O)[C@@H:7]1O[C@:8]1([CH3:17])[C@@:9]2([CH2:11][CH2:12][C@@:13]([CH3:16])([CH2:14][CH2:15]O[C:15001](=O)[CH:15002]=[C:15003]([CH3:15301])[CH3:15004])O2)[C@:10]3([CH3:20])[C:1](=O)[CH2:2][CH2:3][C@:4]4([CH3:18])[CH3:19]', '[H][C@]34[C@H](O)[C@@H]1O[C@]1(C)[C@@]2(CC[C@@](C)(CCOC(=O)C=C(C)C)O2)[C@]3(C)C(=O)CC[C@]4(C)C', '[H][C@:43]34[C@H:69](O)[C@@H:66]1O[C@:65]1([CH3:23])[C@@:88]2([CH2:29][CH2:39][C@@:83]([CH3:28])([CH2:40][CH2:61]O[C:167](=O)[CH:116]=[C:157]([CH3:20])[CH3:27])O2)[C@:54]3([CH3:17])[C:217](=O)[CH2:39][CH2:39][C@:32]4([CH3:34])[CH3:26]', '32 35 H 11.53 -14.10 C:15301 21.26 -9.35 C:15004 22.14 -7.09 C:18 11.26 -14.91 C:19 9.31 -14.90 C:16 13.68 -7.71 C:17 15.26 -11.00 C:20 10.95 -10.24 O 18.89 -9.72 O 10.28 -9.60 O 12.74 -15.24 C:15002 19.76 -7.46 C:15 16.27 -8.71 C:2 9.03 -11.73 C:14 14.97 -8.22 C:3 9.03 -13.12 C:12 12.65 -8.70 C:11 11.93 -10.05 O 17.36 -7.84 O 15.26 -12.42 O 14.06 -10.34 C:15003 21.05 -7.97 C:15001 18.67 -8.34 C:1 10.28 -11.00 C:6 12.74 -13.85 C:7 14.06 -13.12 C:4 10.28 -13.85 C:13 13.89 -9.10 C:8 14.06 -11.73 C:5 11.53 -13.12 C:10 11.53 -11.73 C:9 12.74 -11.00 30 1 -1 2 22 1 3 22 1 27 4 -2 27 5 -1 28 6 -2 29 7 -2 31 8 -2 9 23 2 10 24 2 25 11 -1 12 22 2 12 23 1 13 15 1 13 19 1 14 16 1 14 24 1 28 15 -1 16 27 1 17 18 1 17 28 1 32 18 -2 19 23 1 26 20 -1 20 29 1 21 28 1 32 21 -1 24 31 1 25 26 1 25 30 1 26 29 1 27 30 1 29 32 1 30 31 1 31 32 1', '32 35 H 11.53 -14.10 C 21.26 -9.35 C 22.14 -7.09 C 11.26 -14.91 C 9.31 -14.90 C 13.68 -7.71 C 15.26 -11.00 C 10.95 -10.24 O 18.89 -9.72 O 10.28 -9.60 O 12.74 -15.24 C 19.76 -7.46 C 16.27 -8.71 C 9.03 -11.73 C 14.97 -8.22 C 9.03 -13.12 C 12.65 -8.70 C 11.93 -10.05 O 17.36 -7.84 O 15.26 -12.42 O 14.06 -10.34 C 21.05 -7.97 C 18.67 -8.34 C 10.28 -11.00 C 12.74 -13.85 C 14.06 -13.12 C 10.28 -13.85 C 13.89 -9.10 C 14.06 -11.73 C 11.53 -13.12 C 11.53 -11.73 C 12.74 -11.00 30 1 -1 2 22 1 3 22 1 27 4 -2 27 5 -1 28 6 -2 29 7 -2 31 8 -2 9 23 2 10 24 2 25 11 -1 12 22 2 12 23 1 13 15 1 13 19 1 14 16 1 14 24 1 28 15 -1 16 27 1 17 18 1 17 28 1 32 18 -2 19 23 1 26 20 -1 20 29 1 21 28 1 32 21 -1 24 31 1 25 26 1 25 30 1 26 29 1 27 30 1 29 32 1 30 31 1 31 32 1', '32 35 H 11.53 -14.10 C:20 21.26 -9.35 C:27 22.14 -7.09 C:34 11.26 -14.91 C:26 9.31 -14.90 C:28 13.68 -7.71 C:23 15.26 -11.00 C:17 10.95 -10.24 O 18.89 -9.72 O 10.28 -9.60 O 12.74 -15.24 C:116 19.76 -7.46 C:61 16.27 -8.71 C:39 9.03 -11.73 C:40 14.97 -8.22 C:39 9.03 -13.12 C:39 12.65 -8.70 C:29 11.93 -10.05 O 17.36 -7.84 O 15.26 -12.42 O 14.06 -10.34 C:157 21.05 -7.97 C:167 18.67 -8.34 C:217 10.28 -11.00 C:69 12.74 -13.85 C:66 14.06 -13.12 C:32 10.28 -13.85 C:83 13.89 -9.10 C:65 14.06 -11.73 C:43 11.53 -13.12 C:54 11.53 -11.73 C:88 12.74 -11.00 30 1 -1 2 22 1 3 22 1 27 4 -2 27 5 -1 28 6 -2 29 7 -2 31 8 -2 9 23 2 10 24 2 25 11 -1 12 22 2 12 23 1 13 15 1 13 19 1 14 16 1 14 24 1 28 15 -1 16 27 1 17 18 1 17 28 1 32 18 -2 19 23 1 26 20 -1 20 29 1 21 28 1 32 21 -1 24 31 1 25 26 1 25 30 1 26 29 1 27 30 1 29 32 1 30 31 1 31 32 1', 'C25H38O6', 434.272, 'C', 'cpb03_545_6', 946, '', '', '1', 12, NULL, NULL),
(8805, 'Teclenone A', '1a-(1-Oxo-2-methylpropyl)-3aa-methyl-7-methyleneoctahydroinden-4a-ol', 'Terpenoids', 'Sesquiterpenoids', 'Oppositanes', '[H][C@:5]12[C:4](=[CH2:15])[CH2:3][CH2:2][C@H:1](O)[C@@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:6]2[C:7](=O)[CH:11]([CH3:12])[CH3:13]', '[H][C@]12C(=C)CC[C@H](O)[C@@]1(C)CC[C@@H]2C(=O)C(C)C', '[H][C@:60]12[C:145](=[CH2:113])[CH2:30][CH2:32][C@H:71](O)[C@@:50]1([CH3:18])[CH2:37][CH2:27][C@@H:52]2[C:217](=O)[CH:42]([CH3:18])[CH3:18]', '18 19 H 14.73 -12.10 C:15 13.49 -13.32 C:12 18.87 -12.18 C:13 18.46 -14.62 C:14 14.73 -8.34 O 15.68 -14.13 O 13.49 -7.63 C:3 12.26 -11.17 C:2 12.26 -9.74 C:8 16.95 -10.58 C:9 16.19 -9.39 C:4 13.49 -11.90 C:7 16.56 -13.04 C:11 17.95 -13.32 C:1 13.49 -9.03 C:6 16.04 -11.72 C:5 14.73 -11.17 C:10 14.73 -9.74 17 1 -2 2 12 2 3 14 1 4 14 1 18 5 -2 6 13 2 15 7 -2 8 9 1 8 12 1 9 15 1 10 11 1 10 16 1 11 18 1 12 17 1 13 14 1 16 13 -2 15 18 1 16 17 1 17 18 1', '18 19 H 14.73 -12.10 C 13.49 -13.32 C 18.87 -12.18 C 18.46 -14.62 C 14.73 -8.34 O 15.68 -14.13 O 13.49 -7.63 C 12.26 -11.17 C 12.26 -9.74 C 16.95 -10.58 C 16.19 -9.39 C 13.49 -11.90 C 16.56 -13.04 C 17.95 -13.32 C 13.49 -9.03 C 16.04 -11.72 C 14.73 -11.17 C 14.73 -9.74 17 1 -2 2 12 2 3 14 1 4 14 1 18 5 -2 6 13 2 15 7 -2 8 9 1 8 12 1 9 15 1 10 11 1 10 16 1 11 18 1 12 17 1 13 14 1 16 13 -2 15 18 1 16 17 1 17 18 1', '18 19 H 14.73 -12.10 C:113 13.49 -13.32 C:18 18.87 -12.18 C:18 18.46 -14.62 C:18 14.73 -8.34 O 15.68 -14.13 O 13.49 -7.63 C:30 12.26 -11.17 C:32 12.26 -9.74 C:27 16.95 -10.58 C:37 16.19 -9.39 C:145 13.49 -11.90 C:217 16.56 -13.04 C:42 17.95 -13.32 C:71 13.49 -9.03 C:52 16.04 -11.72 C:60 14.73 -11.17 C:50 14.73 -9.74 17 1 -2 2 12 2 3 14 1 4 14 1 18 5 -2 6 13 2 15 7 -2 8 9 1 8 12 1 9 15 1 10 11 1 10 16 1 11 18 1 12 17 1 13 14 1 16 13 -2 15 18 1 16 17 1 17 18 1', 'C15H24O2', 236.167, 'C', 'np02_1374_1', 83, '', '', '1', 12, NULL, NULL),
(8806, 'Teclenone B', '1alpha-(1-Oxo-2-methylpropyl)-3ab-methyl-7-methyleneoctahydroinden-4b-ol]', 'Terpenoids', 'Sesquiterpenoids', 'Oppositanes', '[H][C@:5]12[C:4](=[CH2:15])[CH2:3][CH2:2][C@@H:1](O)[C@:10]1([CH3:14])[CH2:9][CH2:8][C@@H:6]2[C:7](=O)[CH:11]([CH3:12])[CH3:13]', '[H][C@]12C(=C)CC[C@@H](O)[C@]1(C)CC[C@@H]2C(=O)C(C)C', '[H][C@:54]12[C:146](=[CH2:107])[CH2:30][CH2:32][C@@H:79](O)[C@:49]1([CH3:12])[CH2:38][CH2:27][C@@H:48]2[C:217](=O)[CH:41]([CH3:19])[CH3:19]', '18 19 H 14.76 -12.13 C:15 13.52 -13.35 C:12 18.90 -12.21 C:13 18.49 -14.65 C:14 14.76 -8.37 O 15.71 -14.16 O 13.52 -7.66 C:3 12.29 -11.20 C:2 12.29 -9.77 C:8 16.98 -10.61 C:9 16.22 -9.42 C:4 13.52 -11.93 C:7 16.59 -13.07 C:11 17.98 -13.35 C:1 13.52 -9.06 C:6 16.07 -11.75 C:5 14.76 -11.20 C:10 14.76 -9.77 17 1 -2 2 12 2 3 14 1 4 14 1 18 5 -1 6 13 2 15 7 -1 8 9 1 8 12 1 9 15 1 10 11 1 10 16 1 11 18 1 12 17 1 13 14 1 16 13 -2 15 18 1 16 17 1 17 18 1', '18 19 H 14.76 -12.13 C 13.52 -13.35 C 18.90 -12.21 C 18.49 -14.65 C 14.76 -8.37 O 15.71 -14.16 O 13.52 -7.66 C 12.29 -11.20 C 12.29 -9.77 C 16.98 -10.61 C 16.22 -9.42 C 13.52 -11.93 C 16.59 -13.07 C 17.98 -13.35 C 13.52 -9.06 C 16.07 -11.75 C 14.76 -11.20 C 14.76 -9.77 17 1 -2 2 12 2 3 14 1 4 14 1 18 5 -1 6 13 2 15 7 -1 8 9 1 8 12 1 9 15 1 10 11 1 10 16 1 11 18 1 12 17 1 13 14 1 16 13 -2 15 18 1 16 17 1 17 18 1', '18 19 H 14.76 -12.13 C:107 13.52 -13.35 C:19 18.90 -12.21 C:19 18.49 -14.65 C:12 14.76 -8.37 O 15.71 -14.16 O 13.52 -7.66 C:30 12.29 -11.20 C:32 12.29 -9.77 C:27 16.98 -10.61 C:38 16.22 -9.42 C:146 13.52 -11.93 C:217 16.59 -13.07 C:41 17.98 -13.35 C:79 13.52 -9.06 C:48 16.07 -11.75 C:54 14.76 -11.20 C:49 14.76 -9.77 17 1 -2 2 12 2 3 14 1 4 14 1 18 5 -1 6 13 2 15 7 -1 8 9 1 8 12 1 9 15 1 10 11 1 10 16 1 11 18 1 12 17 1 13 14 1 16 13 -2 15 18 1 16 17 1 17 18 1', 'C15H24O2', 236.167, 'C', 'np02_1374_2', 83, '', '', '1', 12, NULL, NULL),
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(8823, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[CH3:12][CH:11]([CH3:13])[C@:7]23[CH:6]=[C:5]1[C@H:4]([CH3:15])[CH2:3][CH2:2][C@:1]1(OO2)[C@H:10]([CH3:14])[CH2:9][CH2:8]3', 'CC(C)[C@]23C=C1[C@H](C)CC[C@]1(OO2)[C@H](C)CC3', '[CH3:17][CH:35]([CH3:17])[C@:83]23[CH:123]=[C:150]1[C@H:37]([CH3:19])[CH2:32][CH2:36][C@:91]1(OO2)[C@H:39]([CH3:18])[CH2:30][CH2:31]3', '17 19 C:12 16.89 -14.55 C:13 19.08 -13.39 C:15 12.43 -12.17 C:14 16.38 -7.73 C:6 15.69 -12.19 C:3 12.89 -9.80 C:9 17.69 -9.73 C:8 17.95 -11.10 C:2 13.98 -8.94 O 16.00 -11.31 O 16.71 -10.37 C:5 14.83 -11.10 C:11 17.69 -13.39 C:4 13.32 -11.10 C:10 16.38 -9.12 C:7 17.07 -12.19 C:1 15.13 -9.73 1 13 1 2 13 1 14 3 -2 15 4 -2 5 12 2 5 16 1 6 9 1 6 14 1 7 8 1 7 15 1 8 16 1 9 17 1 10 11 1 10 16 1 17 11 -1 12 14 1 12 17 1 16 13 -2 15 17 1', '17 19 C 16.89 -14.55 C 19.08 -13.39 C 12.43 -12.17 C 16.38 -7.73 C 15.69 -12.19 C 12.89 -9.80 C 17.69 -9.73 C 17.95 -11.10 C 13.98 -8.94 O 16.00 -11.31 O 16.71 -10.37 C 14.83 -11.10 C 17.69 -13.39 C 13.32 -11.10 C 16.38 -9.12 C 17.07 -12.19 C 15.13 -9.73 1 13 1 2 13 1 14 3 -2 15 4 -2 5 12 2 5 16 1 6 9 1 6 14 1 7 8 1 7 15 1 8 16 1 9 17 1 10 11 1 10 16 1 17 11 -1 12 14 1 12 17 1 16 13 -2 15 17 1', '17 19 C:17 16.89 -14.55 C:17 19.08 -13.39 C:19 12.43 -12.17 C:18 16.38 -7.73 C:123 15.69 -12.19 C:32 12.89 -9.80 C:30 17.69 -9.73 C:31 17.95 -11.10 C:36 13.98 -8.94 O 16.00 -11.31 O 16.71 -10.37 C:150 14.83 -11.10 C:35 17.69 -13.39 C:37 13.32 -11.10 C:39 16.38 -9.12 C:83 17.07 -12.19 C:91 15.13 -9.73 1 13 1 2 13 1 14 3 -2 15 4 -2 5 12 2 5 16 1 6 9 1 6 14 1 7 8 1 7 15 1 8 16 1 9 17 1 10 11 1 10 16 1 17 11 -1 12 14 1 12 17 1 16 13 -2 15 17 1', 'C15H24O2', 236.159, 'C', 'np05_1208_9', 57, '', '', '1', 23, NULL, NULL),
(8824, 'Sinugibberodiol', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:12]=[C:11]([CH3:13])[C@H:7]1[CH2:6][CH2:5][C:4](=[CH2:15])[C@@H:3](O)[CH2:2][CH2:1][C:10](=[CH2:14])[C@@H:9](O)[CH2:8]1', 'C=C(C)[C@H]1CCC(=C)[C@@H](O)CCC(=C)[C@@H](O)C1', '[CH2:110]=[C:149]([CH3:19])[C@H:41]1[CH2:32][CH2:31][C:150](=[CH2:114])[C@@H:75](O)[CH2:33][CH2:24][C:150](=[CH2:115])[C@@H:77](O)[CH2:37]1', '17 17 C:12 17.14 -14.58 C:15 12.77 -12.21 C:14 16.62 -7.72 C:13 19.33 -13.38 O 11.78 -9.43 O 18.99 -8.87 C:1 15.39 -9.72 C:5 15.07 -11.08 C:2 14.23 -8.92 C:6 15.94 -12.21 C:8 18.18 -11.08 C:11 17.92 -13.43 C:4 13.59 -11.08 C:10 16.62 -9.11 C:3 13.13 -9.79 C:9 17.87 -9.72 C:7 17.32 -12.21 1 12 2 2 13 2 3 14 2 4 12 1 15 5 -1 16 6 -1 7 9 1 7 14 1 8 10 1 8 13 1 9 15 1 10 17 1 11 16 1 11 17 1 17 12 -1 13 15 1 14 16 1', '17 17 C 17.14 -14.58 C 12.77 -12.21 C 16.62 -7.72 C 19.33 -13.38 O 11.78 -9.43 O 18.99 -8.87 C 15.39 -9.72 C 15.07 -11.08 C 14.23 -8.92 C 15.94 -12.21 C 18.18 -11.08 C 17.92 -13.43 C 13.59 -11.08 C 16.62 -9.11 C 13.13 -9.79 C 17.87 -9.72 C 17.32 -12.21 1 12 2 2 13 2 3 14 2 4 12 1 15 5 -1 16 6 -1 7 9 1 7 14 1 8 10 1 8 13 1 9 15 1 10 17 1 11 16 1 11 17 1 17 12 -1 13 15 1 14 16 1', '17 17 C:110 17.14 -14.58 C:114 12.77 -12.21 C:115 16.62 -7.72 C:19 19.33 -13.38 O 11.78 -9.43 O 18.99 -8.87 C:24 15.39 -9.72 C:31 15.07 -11.08 C:33 14.23 -8.92 C:32 15.94 -12.21 C:37 18.18 -11.08 C:149 17.92 -13.43 C:150 13.59 -11.08 C:150 16.62 -9.11 C:75 13.13 -9.79 C:77 17.87 -9.72 C:41 17.32 -12.21 1 12 2 2 13 2 3 14 2 4 12 1 15 5 -1 16 6 -1 7 9 1 7 14 1 8 10 1 8 13 1 9 15 1 10 17 1 11 16 1 11 17 1 17 12 -1 13 15 1 14 16 1', 'C15H24O2', 236.159, 'C', 'np05_1208_3', 57, '', '', '1', 23, NULL, NULL),
(8825, 'Sinugibberodiol diacetate', '', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[CH2:12]=[C:11]([CH3:13])[C@H:7]1[CH2:6][CH2:5][C:4](=[CH2:15])[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C:10](=[CH2:14])[C@@H:9](O[C:9001]([CH3:9002])=O)[CH2:8]1', 'C=C(C)[C@H]1CCC(=C)[C@@H](OC(C)=O)CCC(=C)[C@@H](OC(C)=O)C1', '[CH2:111]=[C:148]([CH3:19])[C@H:41]1[CH2:31][CH2:30][C:145](=[CH2:117])[C@@H:76](O[C:170]([CH3:21])=O)[CH2:30][CH2:25][C:145](=[CH2:117])[C@@H:78](O[C:170]([CH3:21])=O)[CH2:34]1', '23 23 C:12 16.97 -14.86 C:15 12.60 -12.49 C:14 16.45 -8.00 C:13 19.16 -13.71 C:3002 9.89 -8.00 C:9002 21.23 -8.85 O 12.25 -7.38 O 20.28 -11.08 C:5 14.90 -11.36 C:1 15.22 -10.00 C:6 15.77 -12.49 C:2 14.06 -9.20 C:8 18.01 -11.36 O 11.61 -9.71 O 18.82 -9.15 C:11 17.75 -13.71 C:3001 11.25 -8.36 C:9001 20.11 -9.71 C:4 13.42 -11.36 C:10 16.45 -9.39 C:7 17.15 -12.49 C:3 12.96 -10.07 C:9 17.70 -10.00 1 16 2 2 19 2 3 20 2 4 16 1 5 17 1 6 18 1 7 17 2 8 18 2 9 11 1 9 19 1 10 12 1 10 20 1 11 21 1 12 22 1 13 21 1 13 23 1 14 17 1 22 14 -1 15 18 1 23 15 -1 21 16 -1 19 22 1 20 23 1', '23 23 C 16.97 -14.86 C 12.60 -12.49 C 16.45 -8.00 C 19.16 -13.71 C 9.89 -8.00 C 21.23 -8.85 O 12.25 -7.38 O 20.28 -11.08 C 14.90 -11.36 C 15.22 -10.00 C 15.77 -12.49 C 14.06 -9.20 C 18.01 -11.36 O 11.61 -9.71 O 18.82 -9.15 C 17.75 -13.71 C 11.25 -8.36 C 20.11 -9.71 C 13.42 -11.36 C 16.45 -9.39 C 17.15 -12.49 C 12.96 -10.07 C 17.70 -10.00 1 16 2 2 19 2 3 20 2 4 16 1 5 17 1 6 18 1 7 17 2 8 18 2 9 11 1 9 19 1 10 12 1 10 20 1 11 21 1 12 22 1 13 21 1 13 23 1 14 17 1 22 14 -1 15 18 1 23 15 -1 21 16 -1 19 22 1 20 23 1', '23 23 C:111 16.97 -14.86 C:117 12.60 -12.49 C:117 16.45 -8.00 C:19 19.16 -13.71 C:21 9.89 -8.00 C:21 21.23 -8.85 O 12.25 -7.38 O 20.28 -11.08 C:30 14.90 -11.36 C:25 15.22 -10.00 C:31 15.77 -12.49 C:30 14.06 -9.20 C:34 18.01 -11.36 O 11.61 -9.71 O 18.82 -9.15 C:148 17.75 -13.71 C:170 11.25 -8.36 C:170 20.11 -9.71 C:145 13.42 -11.36 C:145 16.45 -9.39 C:41 17.15 -12.49 C:76 12.96 -10.07 C:78 17.70 -10.00 1 16 2 2 19 2 3 20 2 4 16 1 5 17 1 6 18 1 7 17 2 8 18 2 9 11 1 9 19 1 10 12 1 10 20 1 11 21 1 12 22 1 13 21 1 13 23 1 14 17 1 22 14 -1 15 18 1 23 15 -1 21 16 -1 19 22 1 20 23 1', 'C19H28O4', 320.201, 'C', 'np05_1208_3a', 57, '', '', '1', 23, 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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(8836, '', '5b-Hydroxy-10a-O-angeloyl-3-oxodauc-8-ene', 'Terpenoids', 'Sesquiterpenoids', 'Daucanes', '[CH3:10004][CH:10003]=[C:10002]([CH3:10201])[C:10001](=O)O[C@H:10]1[CH:9]=[C:8]([CH3:14])[CH2:7][CH2:6][C@@:5]2(O)[C@@H:4]([CH:11]([CH3:12])[CH3:13])[C:3](=O)[CH2:2][C@@:1]12[CH3:15]', 'CC=C(C)C(=O)O[C@H]1C=C(C)CC[C@@]2(O)[C@@H](C(C)C)C(=O)C[C@@]12C', '[CH3:16][CH:139]=[C:127]([CH3:21])[C:166](=O)O[C@H:76]1[CH:120]=[C:146]([CH3:26])[CH2:29][CH2:39][C@@:82]2(O)[C@@H:51]([CH:26]([CH3:25])[CH3:18])[C:220](=O)[CH2:37][C@@:60]12[CH3:21]', '24 25 C:10004 20.19 -8.06 C:14 18.96 -13.67 C:10201 16.67 -6.95 C:12 10.95 -14.18 C:13 13.07 -15.39 C:15 14.91 -10.21 O 11.30 -11.20 O 18.75 -10.01 O 14.24 -14.27 C:10003 19.05 -7.23 C:9 17.44 -11.84 C:7 16.65 -14.26 C:6 15.26 -14.13 C:2 13.77 -10.79 O 16.38 -9.73 C:8 17.63 -13.24 C:10002 17.79 -7.79 C:3 12.64 -11.62 C:10001 17.63 -9.17 C:11 12.37 -14.18 C:10 16.23 -11.11 C:4 13.07 -12.95 C:1 14.91 -11.62 C:5 14.48 -12.95 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 18 1 14 23 1 15 19 1 21 15 -1 17 19 1 18 22 1 22 20 -1 21 23 1 22 24 1 23 24 1', '24 25 C 20.19 -8.06 C 18.96 -13.67 C 16.67 -6.95 C 10.95 -14.18 C 13.07 -15.39 C 14.91 -10.21 O 11.30 -11.20 O 18.75 -10.01 O 14.24 -14.27 C 19.05 -7.23 C 17.44 -11.84 C 16.65 -14.26 C 15.26 -14.13 C 13.77 -10.79 O 16.38 -9.73 C 17.63 -13.24 C 17.79 -7.79 C 12.64 -11.62 C 17.63 -9.17 C 12.37 -14.18 C 16.23 -11.11 C 13.07 -12.95 C 14.91 -11.62 C 14.48 -12.95 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 18 1 14 23 1 15 19 1 21 15 -1 17 19 1 18 22 1 22 20 -1 21 23 1 22 24 1 23 24 1', '24 25 C:16 20.19 -8.06 C:26 18.96 -13.67 C:21 16.67 -6.95 C:25 10.95 -14.18 C:18 13.07 -15.39 C:21 14.91 -10.21 O 11.30 -11.20 O 18.75 -10.01 O 14.24 -14.27 C:139 19.05 -7.23 C:120 17.44 -11.84 C:29 16.65 -14.26 C:39 15.26 -14.13 C:37 13.77 -10.79 O 16.38 -9.73 C:146 17.63 -13.24 C:127 17.79 -7.79 C:220 12.64 -11.62 C:166 17.63 -9.17 C:26 12.37 -14.18 C:76 16.23 -11.11 C:51 13.07 -12.95 C:60 14.91 -11.62 C:82 14.48 -12.95 1 10 1 2 16 1 3 17 1 4 20 1 5 20 1 23 6 -2 7 18 2 8 19 2 24 9 -2 10 17 2 11 16 2 11 21 1 12 13 1 12 16 1 13 24 1 14 18 1 14 23 1 15 19 1 21 15 -1 17 19 1 18 22 1 22 20 -1 21 23 1 22 24 1 23 24 1', 'C20H30O4', 334.212, 'C', 'pm03_962_3', 1305, '', '', '1', 23, NULL, NULL),
(8837, 'Youngiajaponicol A', '3-Oxo-8a-(4-hydoxyphenyl)acetoxy-10(14),11(13)-guaiadien-12,6-olide', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]14[CH2:2][C:3](=O)[C@@H:4]([CH3:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11](=[CH2:13])[C@:7]2([H])[C@@H:8](O[C:8001](=O)[CH2:8002][c:8003]3[cH:8004][cH:8005][c:8006](O)[cH:8007][cH:8008]3)[CH2:9][C:10]4=[CH2:14]', '[H][C@@]14CC(=O)[C@@H](C)[C@]1([H])[C@@]2([H])OC(=O)C(=C)[C@]2([H])[C@@H](OC(=O)Cc3ccc(O)cc3)CC4=C', '[H][C@@:41]14[CH2:43][C:219](=O)[C@@H:47]([CH3:15])[C@:51]1([H])[C@@:82]2([H])O[C:169](=O)[C:138](=[CH2:124])[C@:46]2([H])[C@@H:75](O[C:171](=O)[CH2:41][c:125]3[cH:131][cH:116][c:157](O)[cH:116][cH:131]3)[CH2:42][C:144]4=[CH2:116]', '33 36 H 12.34 -8.50 H 13.09 -11.23 H 13.96 -11.23 H 11.60 -12.02 C:14 13.52 -7.38 C:13 16.14 -13.93 C:15 9.37 -12.02 O 17.16 -8.88 O 13.52 -15.83 O 8.41 -9.15 O 22.78 -6.46 C:8005 22.21 -8.79 C:8007 20.44 -7.15 C:8004 21.25 -9.84 C:8008 19.49 -8.17 C:8002 18.93 -10.54 C:9 14.89 -9.46 C:2 10.92 -8.60 O 16.61 -11.23 O 12.34 -13.49 C:10 13.52 -8.79 C:8001 17.57 -10.22 C:11 14.70 -13.49 C:12 13.52 -14.32 C:3 9.75 -9.53 C:8006 21.81 -7.47 C:8003 19.89 -9.53 C:4 10.24 -10.93 C:8 15.23 -10.93 C:1 12.18 -9.46 C:6 12.79 -12.10 C:7 14.27 -12.10 C:5 11.85 -10.93 30 1 -2 31 2 -1 32 3 -2 33 4 -2 5 21 2 6 23 2 28 7 -2 8 22 2 9 24 2 10 25 2 11 26 1 12 14 1 12 26 2 13 15 2 13 26 1 14 27 2 15 27 1 16 22 1 16 27 1 17 21 1 17 29 1 18 25 1 18 30 1 19 22 1 29 19 -2 20 24 1 20 31 1 21 30 1 23 24 1 23 32 1 25 28 1 28 33 1 29 32 1 30 33 1 31 32 1 31 33 1', '33 36 H 12.34 -8.50 H 13.09 -11.23 H 13.96 -11.23 H 11.60 -12.02 C 13.52 -7.38 C 16.14 -13.93 C 9.37 -12.02 O 17.16 -8.88 O 13.52 -15.83 O 8.41 -9.15 O 22.78 -6.46 C 22.21 -8.79 C 20.44 -7.15 C 21.25 -9.84 C 19.49 -8.17 C 18.93 -10.54 C 14.89 -9.46 C 10.92 -8.60 O 16.61 -11.23 O 12.34 -13.49 C 13.52 -8.79 C 17.57 -10.22 C 14.70 -13.49 C 13.52 -14.32 C 9.75 -9.53 C 21.81 -7.47 C 19.89 -9.53 C 10.24 -10.93 C 15.23 -10.93 C 12.18 -9.46 C 12.79 -12.10 C 14.27 -12.10 C 11.85 -10.93 30 1 -2 31 2 -1 32 3 -2 33 4 -2 5 21 2 6 23 2 28 7 -2 8 22 2 9 24 2 10 25 2 11 26 1 12 14 1 12 26 2 13 15 2 13 26 1 14 27 2 15 27 1 16 22 1 16 27 1 17 21 1 17 29 1 18 25 1 18 30 1 19 22 1 29 19 -2 20 24 1 20 31 1 21 30 1 23 24 1 23 32 1 25 28 1 28 33 1 29 32 1 30 33 1 31 32 1 31 33 1', '33 36 H 12.34 -8.50 H 13.09 -11.23 H 13.96 -11.23 H 11.60 -12.02 C:116 13.52 -7.38 C:124 16.14 -13.93 C:15 9.37 -12.02 O 17.16 -8.88 O 13.52 -15.83 O 8.41 -9.15 O 22.78 -6.46 C:116 22.21 -8.79 C:116 20.44 -7.15 C:131 21.25 -9.84 C:131 19.49 -8.17 C:41 18.93 -10.54 C:42 14.89 -9.46 C:43 10.92 -8.60 O 16.61 -11.23 O 12.34 -13.49 C:144 13.52 -8.79 C:171 17.57 -10.22 C:138 14.70 -13.49 C:169 13.52 -14.32 C:219 9.75 -9.53 C:157 21.81 -7.47 C:125 19.89 -9.53 C:47 10.24 -10.93 C:75 15.23 -10.93 C:41 12.18 -9.46 C:82 12.79 -12.10 C:46 14.27 -12.10 C:51 11.85 -10.93 30 1 -2 31 2 -1 32 3 -2 33 4 -2 5 21 2 6 23 2 28 7 -2 8 22 2 9 24 2 10 25 2 11 26 1 12 14 1 12 26 2 13 15 2 13 26 1 14 27 2 15 27 1 16 22 1 16 27 1 17 21 1 17 29 1 18 25 1 18 30 1 19 22 1 29 19 -2 20 24 1 20 31 1 21 30 1 23 24 1 23 32 1 25 28 1 28 33 1 29 32 1 30 33 1 31 32 1 31 33 1', 'C23H24O6', 396.274, 'A', 'pm06_143_1', 383, '', '', '1', 23, NULL, NULL),
(8838, 'Youngiajaponicoside A', '3b-[3-(4-hydroxyphenyl)acetyl-b-D-glucopyranosyloxy]-8a-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide', 'Terpenoids', 'Sesquiterpenoids', 'Guaianes', '[H][C@@:1]35[CH2:2][C@H:3](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O[C:103001](=O)[CH2:103002][c:103003]1[cH:103004][cH:103005][c:103006](O)[cH:103007][cH:103008]1)[C@H:102]2O)[C:4](=[CH2:15])[C@:5]3([H])[C@@:6]4([H])O[C:12](=O)[C:11](=[CH2:13])[C@:7]4([H])[C@@H:8](O)[CH2:9][C:10]5=[CH2:14]', '[H][C@@]35C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc1ccc(O)cc1)[C@H]2O)C(=C)[C@]3([H])[C@@]4([H])OC(=O)C(=C)[C@]4([H])[C@@H](O)CC5=C', '[H][C@@:47]35[CH2:39][C@H:81](O[C@@H:103]2O[C@H:78]([CH2:63]O)[C@@H:70](O)[C@H:79](O[C:173](=O)[CH2:41][c:126]1[cH:132][cH:116][c:157](O)[cH:116][cH:132]1)[C@H:73]2O)[C:151](=[CH2:115])[C@:53]3([H])[C@@:80]4([H])O[C:171](=O)[C:141](=[CH2:122])[C@:52]4([H])[C@@H:73](O)[CH2:43][C:145]5=[CH2:117]', '44 48 H 18.94 -12.54 H 19.69 -15.22 H 20.55 -15.22 H 18.18 -15.95 C:14 20.12 -11.33 C:13 22.69 -17.94 C:15 15.93 -16.13 O 12.31 -7.34 O 20.12 -19.81 O 17.68 -8.89 O 8.60 -2.49 O 23.19 -15.27 O 13.66 -7.73 O 12.31 -12.40 C:103005 7.93 -4.82 C:103007 10.29 -4.23 C:103004 8.27 -6.17 C:103008 10.62 -5.59 C:106 16.34 -8.51 C:103002 9.95 -7.92 C:9 21.48 -13.48 C:2 17.52 -12.64 O 11.63 -9.67 O 18.94 -17.49 O 15.00 -13.17 O 15.67 -10.84 C:103001 11.29 -8.31 C:10 20.12 -12.82 C:12 20.12 -18.36 C:11 21.30 -17.49 C:4 16.83 -14.94 C:103006 8.94 -3.85 C:103003 9.61 -6.56 C:8 21.82 -14.94 C:3 16.34 -13.55 C:104 13.99 -9.09 C:102 13.32 -11.42 C:105 15.33 -9.48 C:101 14.66 -11.81 C:103 12.98 -10.06 C:1 18.78 -13.48 C:6 19.39 -16.13 C:7 20.87 -16.09 C:5 18.44 -14.94 41 1 -2 42 2 -1 43 3 -2 44 4 -2 5 28 2 6 30 2 7 31 2 8 27 2 9 29 2 10 19 1 11 32 1 34 12 -2 36 13 -2 37 14 -2 15 17 2 15 32 1 16 18 1 16 32 2 17 33 1 18 33 2 38 19 -1 20 27 1 20 33 1 21 28 1 21 34 1 22 35 1 22 41 1 23 27 1 40 23 -1 24 29 1 24 42 1 35 25 -1 39 25 -1 26 38 1 26 39 1 28 41 1 29 30 1 30 43 1 31 35 1 31 44 1 34 43 1 36 38 1 36 40 1 37 39 1 37 40 1 41 44 1 42 43 1 42 44 1', '44 48 H 18.94 -12.54 H 19.69 -15.22 H 20.55 -15.22 H 18.18 -15.95 C 20.12 -11.33 C 22.69 -17.94 C 15.93 -16.13 O 12.31 -7.34 O 20.12 -19.81 O 17.68 -8.89 O 8.60 -2.49 O 23.19 -15.27 O 13.66 -7.73 O 12.31 -12.40 C 7.93 -4.82 C 10.29 -4.23 C 8.27 -6.17 C 10.62 -5.59 C 16.34 -8.51 C 9.95 -7.92 C 21.48 -13.48 C 17.52 -12.64 O 11.63 -9.67 O 18.94 -17.49 O 15.00 -13.17 O 15.67 -10.84 C 11.29 -8.31 C 20.12 -12.82 C 20.12 -18.36 C 21.30 -17.49 C 16.83 -14.94 C 8.94 -3.85 C 9.61 -6.56 C 21.82 -14.94 C 16.34 -13.55 C 13.99 -9.09 C 13.32 -11.42 C 15.33 -9.48 C 14.66 -11.81 C 12.98 -10.06 C 18.78 -13.48 C 19.39 -16.13 C 20.87 -16.09 C 18.44 -14.94 41 1 -2 42 2 -1 43 3 -2 44 4 -2 5 28 2 6 30 2 7 31 2 8 27 2 9 29 2 10 19 1 11 32 1 34 12 -2 36 13 -2 37 14 -2 15 17 2 15 32 1 16 18 1 16 32 2 17 33 1 18 33 2 38 19 -1 20 27 1 20 33 1 21 28 1 21 34 1 22 35 1 22 41 1 23 27 1 40 23 -1 24 29 1 24 42 1 35 25 -1 39 25 -1 26 38 1 26 39 1 28 41 1 29 30 1 30 43 1 31 35 1 31 44 1 34 43 1 36 38 1 36 40 1 37 39 1 37 40 1 41 44 1 42 43 1 42 44 1', '44 48 H 18.94 -12.54 H 19.69 -15.22 H 20.55 -15.22 H 18.18 -15.95 C:117 20.12 -11.33 C:122 22.69 -17.94 C:115 15.93 -16.13 O 12.31 -7.34 O 20.12 -19.81 O 17.68 -8.89 O 8.60 -2.49 O 23.19 -15.27 O 13.66 -7.73 O 12.31 -12.40 C:116 7.93 -4.82 C:116 10.29 -4.23 C:132 8.27 -6.17 C:132 10.62 -5.59 C:63 16.34 -8.51 C:41 9.95 -7.92 C:43 21.48 -13.48 C:39 17.52 -12.64 O 11.63 -9.67 O 18.94 -17.49 O 15.00 -13.17 O 15.67 -10.84 C:173 11.29 -8.31 C:145 20.12 -12.82 C:171 20.12 -18.36 C:141 21.30 -17.49 C:151 16.83 -14.94 C:157 8.94 -3.85 C:126 9.61 -6.56 C:73 21.82 -14.94 C:81 16.34 -13.55 C:70 13.99 -9.09 C:73 13.32 -11.42 C:78 15.33 -9.48 C:103 14.66 -11.81 C:79 12.98 -10.06 C:47 18.78 -13.48 C:80 19.39 -16.13 C:52 20.87 -16.09 C:53 18.44 -14.94 41 1 -2 42 2 -1 43 3 -2 44 4 -2 5 28 2 6 30 2 7 31 2 8 27 2 9 29 2 10 19 1 11 32 1 34 12 -2 36 13 -2 37 14 -2 15 17 2 15 32 1 16 18 1 16 32 2 17 33 1 18 33 2 38 19 -1 20 27 1 20 33 1 21 28 1 21 34 1 22 35 1 22 41 1 23 27 1 40 23 -1 24 29 1 24 42 1 35 25 -1 39 25 -1 26 38 1 26 39 1 28 41 1 29 30 1 30 43 1 31 35 1 31 44 1 34 43 1 36 38 1 36 40 1 37 39 1 37 40 1 41 44 1 42 43 1 42 44 1', 'C29H34O11', 558.335, 'A', 'pm06_143_2', 383, '', '', '1', 23, NULL, NULL),
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