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
(6182, '', '6-O-Acetyl-14-O-acetyloxy-9-dehydroxy-D8,9-sphaeropsidin A', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]12[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@@:10]13[C:20](=O)O[C@@:6]2(O[C:6001]([CH3:6002])=O)[C:7](=O)[C:8]4=[C:9]3[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]4O[C:14001]([CH3:14002])=O', '[H][C@]12[C@@](C)(C)CCC[C@@]13C(=O)O[C@@]2(OC(C)=O)C(=O)C4=C3CC[C@](C)(C=C)C4OC(C)=O', '[H][C@:62]12[C@@:33]([CH3:33])([CH3:21])[CH2:26][CH2:18][CH2:24][C@@:54]13[C:172](=O)O[C@@:106]2(O[C:167]([CH3:21])=O)[C:184](=O)[C:129]4=[C:142]3[CH2:40][CH2:26][C@:38]([CH3:22])([CH:143]=[CH2:113])[CH:68]4O[C:163]([CH3:21])=O', '32 35 H 13.15 -12.36 C:16 19.07 -7.33 C:14002 19.22 -12.06 C:6002 15.53 -15.49 C:18 12.87 -13.17 C:19 10.92 -13.08 C:17 17.58 -6.84 O 20.41 -9.93 O 16.68 -13.48 O 11.88 -8.07 O 16.74 -12.11 C:15 18.09 -8.31 C:2 10.73 -10.06 C:11 14.36 -7.96 C:3 10.73 -11.45 C:1 11.93 -9.36 C:12 15.57 -7.27 O 17.97 -10.06 O 14.36 -13.48 O 14.36 -10.75 C:14001 19.22 -10.67 C:6001 15.53 -14.14 C:20 13.15 -8.66 C:7 15.57 -11.45 C:9 14.36 -9.36 C:8 15.57 -10.06 C:14 16.77 -9.36 C:4 11.93 -12.14 C:13 16.77 -7.96 C:5 13.15 -11.45 C:10 13.15 -10.06 C:6 14.36 -12.14 30 1 -2 2 12 2 3 21 1 4 22 1 28 5 -2 28 6 -1 29 7 -1 8 21 2 9 22 2 10 23 2 11 24 2 29 12 -2 13 15 1 13 16 1 14 17 1 14 25 1 15 28 1 16 31 1 17 29 1 18 21 1 18 27 1 19 22 1 32 19 -2 20 23 1 20 32 1 31 23 -1 24 26 1 24 32 1 25 26 2 25 31 1 26 27 1 27 29 1 28 30 1 30 31 1 30 32 1', '32 35 H 13.15 -12.36 C 19.07 -7.33 C 19.22 -12.06 C 15.53 -15.49 C 12.87 -13.17 C 10.92 -13.08 C 17.58 -6.84 O 20.41 -9.93 O 16.68 -13.48 O 11.88 -8.07 O 16.74 -12.11 C 18.09 -8.31 C 10.73 -10.06 C 14.36 -7.96 C 10.73 -11.45 C 11.93 -9.36 C 15.57 -7.27 O 17.97 -10.06 O 14.36 -13.48 O 14.36 -10.75 C 19.22 -10.67 C 15.53 -14.14 C 13.15 -8.66 C 15.57 -11.45 C 14.36 -9.36 C 15.57 -10.06 C 16.77 -9.36 C 11.93 -12.14 C 16.77 -7.96 C 13.15 -11.45 C 13.15 -10.06 C 14.36 -12.14 30 1 -2 2 12 2 3 21 1 4 22 1 28 5 -2 28 6 -1 29 7 -1 8 21 2 9 22 2 10 23 2 11 24 2 29 12 -2 13 15 1 13 16 1 14 17 1 14 25 1 15 28 1 16 31 1 17 29 1 18 21 1 18 27 1 19 22 1 32 19 -2 20 23 1 20 32 1 31 23 -1 24 26 1 24 32 1 25 26 2 25 31 1 26 27 1 27 29 1 28 30 1 30 31 1 30 32 1', '32 35 H 13.15 -12.36 C:113 19.07 -7.33 C:21 19.22 -12.06 C:21 15.53 -15.49 C:33 12.87 -13.17 C:21 10.92 -13.08 C:22 17.58 -6.84 O 20.41 -9.93 O 16.68 -13.48 O 11.88 -8.07 O 16.74 -12.11 C:143 18.09 -8.31 C:18 10.73 -10.06 C:40 14.36 -7.96 C:26 10.73 -11.45 C:24 11.93 -9.36 C:26 15.57 -7.27 O 17.97 -10.06 O 14.36 -13.48 O 14.36 -10.75 C:163 19.22 -10.67 C:167 15.53 -14.14 C:172 13.15 -8.66 C:184 15.57 -11.45 C:142 14.36 -9.36 C:129 15.57 -10.06 C:68 16.77 -9.36 C:33 11.93 -12.14 C:38 16.77 -7.96 C:62 13.15 -11.45 C:54 13.15 -10.06 C:106 14.36 -12.14 30 1 -2 2 12 2 3 21 1 4 22 1 28 5 -2 28 6 -1 29 7 -1 8 21 2 9 22 2 10 23 2 11 24 2 29 12 -2 13 15 1 13 16 1 14 17 1 14 25 1 15 28 1 16 31 1 17 29 1 18 21 1 18 27 1 19 22 1 32 19 -2 20 23 1 20 32 1 31 23 -1 24 26 1 24 32 1 25 26 2 25 31 1 26 27 1 27 29 1 28 30 1 30 31 1 30 32 1', 'C24H30O7', 430.261, 'C', 'ph65_189_10', 2103, '', '', '1', 1, NULL, NULL),
(6183, '', '7-O-15,16-Tetrahydrosphaeropsidin A', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]12[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@@:10]14[C:20](=O)O[C@@:6]2(O)[C@H:7](O)[C:8]3=[CH:14][C@@:13]([CH3:17])([CH2:15][CH3:16])[CH2:12][CH2:11][C@@:9]34O', '[H][C@]12[C@@](C)(C)CCC[C@@]14C(=O)O[C@@]2(O)[C@H](O)C3=C[C@@](C)(CC)CC[C@@]34O', '[H][C@:52]12[C@@:32]([CH3:32])([CH3:23])[CH2:29][CH2:18][CH2:23][C@@:58]14[C:177](=O)O[C@@:104]2(O)[C@H:74](O)[C:134]3=[CH:136][C@@:35]([CH3:21])([CH2:35][CH3:8])[CH2:30][CH2:40][C@@:71]34O', '26 29 H 13.79 -13.35 C:16 19.69 -8.36 C:18 13.52 -14.14 C:19 11.58 -14.05 C:17 18.20 -7.86 O 12.56 -9.01 O 17.40 -13.14 O 16.20 -9.68 O 15.00 -14.46 C:14 17.39 -10.36 C:15 18.70 -9.32 C:2 11.39 -11.06 C:3 11.39 -12.44 C:12 16.20 -8.30 C:1 12.58 -10.36 C:11 15.00 -8.98 O 15.00 -11.74 C:20 13.79 -9.67 C:8 16.20 -11.06 C:7 16.20 -12.44 C:4 12.58 -13.13 C:13 17.39 -8.98 C:5 13.79 -12.44 C:9 15.00 -10.36 C:6 15.00 -13.13 C:10 13.79 -11.06 23 1 -2 2 11 1 21 3 -2 21 4 -1 22 5 -1 6 18 2 20 7 -1 24 8 -2 25 9 -2 10 19 2 10 22 1 22 11 -2 12 13 1 12 15 1 13 21 1 14 16 1 14 22 1 15 26 1 16 24 1 17 18 1 17 25 1 26 18 -1 19 20 1 19 24 1 20 25 1 21 23 1 23 25 1 23 26 1 24 26 1', '26 29 H 13.79 -13.35 C 19.69 -8.36 C 13.52 -14.14 C 11.58 -14.05 C 18.20 -7.86 O 12.56 -9.01 O 17.40 -13.14 O 16.20 -9.68 O 15.00 -14.46 C 17.39 -10.36 C 18.70 -9.32 C 11.39 -11.06 C 11.39 -12.44 C 16.20 -8.30 C 12.58 -10.36 C 15.00 -8.98 O 15.00 -11.74 C 13.79 -9.67 C 16.20 -11.06 C 16.20 -12.44 C 12.58 -13.13 C 17.39 -8.98 C 13.79 -12.44 C 15.00 -10.36 C 15.00 -13.13 C 13.79 -11.06 23 1 -2 2 11 1 21 3 -2 21 4 -1 22 5 -1 6 18 2 20 7 -1 24 8 -2 25 9 -2 10 19 2 10 22 1 22 11 -2 12 13 1 12 15 1 13 21 1 14 16 1 14 22 1 15 26 1 16 24 1 17 18 1 17 25 1 26 18 -1 19 20 1 19 24 1 20 25 1 21 23 1 23 25 1 23 26 1 24 26 1', '26 29 H 13.79 -13.35 C:8 19.69 -8.36 C:32 13.52 -14.14 C:23 11.58 -14.05 C:21 18.20 -7.86 O 12.56 -9.01 O 17.40 -13.14 O 16.20 -9.68 O 15.00 -14.46 C:136 17.39 -10.36 C:35 18.70 -9.32 C:18 11.39 -11.06 C:29 11.39 -12.44 C:30 16.20 -8.30 C:23 12.58 -10.36 C:40 15.00 -8.98 O 15.00 -11.74 C:177 13.79 -9.67 C:134 16.20 -11.06 C:74 16.20 -12.44 C:32 12.58 -13.13 C:35 17.39 -8.98 C:52 13.79 -12.44 C:71 15.00 -10.36 C:104 15.00 -13.13 C:58 13.79 -11.06 23 1 -2 2 11 1 21 3 -2 21 4 -1 22 5 -1 6 18 2 20 7 -1 24 8 -2 25 9 -2 10 19 2 10 22 1 22 11 -2 12 13 1 12 15 1 13 21 1 14 16 1 14 22 1 15 26 1 16 24 1 17 18 1 17 25 1 26 18 -1 19 20 1 19 24 1 20 25 1 21 23 1 23 25 1 23 26 1 24 26 1', 'C20H30O5', 350.219, 'C', 'ph65_189_11', 2103, '', '', '1', 1, NULL, NULL),
(6184, '', '8,14-Methylensphaeropsidin A methyl ester', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]34[C:6](=O)[C:7](=O)[C@:8]12[CH2:8001][C@H:14]1[C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@:9]2(O)[C@@:10]3([C:20](=O)O[CH3:20001])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34C(=O)C(=O)[C@]12C[C@H]1[C@@](C)(C=C)CC[C@]2(O)[C@@]3(C(=O)OC)CCC[C@@]4(C)C', '[H][C@@:57]34[C:191](=O)[C:189](=O)[C@:34]12[CH2:27][C@H:38]1[C@@:39]([CH3:24])([CH:147]=[CH2:111])[CH2:29][CH2:42][C@:72]2(O)[C@@:58]3([C:175](=O)O[CH3:53])[CH2:25][CH2:18][CH2:26][C@@:34]4([CH3:20])[CH3:32]', '28 31 H 13.78 -13.42 C:16 19.88 -8.24 C:20001 11.83 -7.99 C:19 11.49 -14.15 C:18 13.49 -14.23 C:17 18.32 -7.72 O 14.46 -8.78 O 15.02 -14.60 O 17.45 -13.16 O 15.02 -11.70 C:15 18.88 -9.24 C:2 11.29 -11.06 C:3 11.29 -12.49 C:12 16.27 -8.19 C:1 12.52 -10.33 C:11 15.02 -8.89 C:8001 17.49 -11.74 O 12.13 -9.32 C:20 13.45 -9.73 C:6 15.02 -13.20 C:7 16.27 -12.49 C:14 17.49 -10.33 C:4 12.52 -13.20 C:13 17.49 -8.89 C:5 13.78 -12.49 C:9 15.02 -10.33 C:8 16.27 -11.06 C:10 13.78 -11.06 25 1 -2 2 11 2 3 18 1 23 4 -1 23 5 -2 24 6 -1 7 19 2 8 20 2 9 21 2 26 10 -2 24 11 -2 12 13 1 12 15 1 13 23 1 14 16 1 14 24 1 15 28 1 16 26 1 22 17 -2 27 17 -2 18 19 1 28 19 -1 20 21 1 20 25 1 21 27 1 22 24 1 22 27 1 23 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 13.78 -13.42 C 19.88 -8.24 C 11.83 -7.99 C 11.49 -14.15 C 13.49 -14.23 C 18.32 -7.72 O 14.46 -8.78 O 15.02 -14.60 O 17.45 -13.16 O 15.02 -11.70 C 18.88 -9.24 C 11.29 -11.06 C 11.29 -12.49 C 16.27 -8.19 C 12.52 -10.33 C 15.02 -8.89 C 17.49 -11.74 O 12.13 -9.32 C 13.45 -9.73 C 15.02 -13.20 C 16.27 -12.49 C 17.49 -10.33 C 12.52 -13.20 C 17.49 -8.89 C 13.78 -12.49 C 15.02 -10.33 C 16.27 -11.06 C 13.78 -11.06 25 1 -2 2 11 2 3 18 1 23 4 -1 23 5 -2 24 6 -1 7 19 2 8 20 2 9 21 2 26 10 -2 24 11 -2 12 13 1 12 15 1 13 23 1 14 16 1 14 24 1 15 28 1 16 26 1 22 17 -2 27 17 -2 18 19 1 28 19 -1 20 21 1 20 25 1 21 27 1 22 24 1 22 27 1 23 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 13.78 -13.42 C:111 19.88 -8.24 C:53 11.83 -7.99 C:20 11.49 -14.15 C:32 13.49 -14.23 C:24 18.32 -7.72 O 14.46 -8.78 O 15.02 -14.60 O 17.45 -13.16 O 15.02 -11.70 C:147 18.88 -9.24 C:18 11.29 -11.06 C:26 11.29 -12.49 C:29 16.27 -8.19 C:25 12.52 -10.33 C:42 15.02 -8.89 C:27 17.49 -11.74 O 12.13 -9.32 C:175 13.45 -9.73 C:191 15.02 -13.20 C:189 16.27 -12.49 C:38 17.49 -10.33 C:34 12.52 -13.20 C:39 17.49 -8.89 C:57 13.78 -12.49 C:72 15.02 -10.33 C:34 16.27 -11.06 C:58 13.78 -11.06 25 1 -2 2 11 2 3 18 1 23 4 -1 23 5 -2 24 6 -1 7 19 2 8 20 2 9 21 2 26 10 -2 24 11 -2 12 13 1 12 15 1 13 23 1 14 16 1 14 24 1 15 28 1 16 26 1 22 17 -2 27 17 -2 18 19 1 28 19 -1 20 21 1 20 25 1 21 27 1 22 24 1 22 27 1 23 25 1 25 28 1 26 27 1 26 28 1', 'C22H30O5', 374.24, 'C', 'ph65_189_12', 2103, '', '', '1', 1, NULL, NULL),
(6185, 'Oxidized derivative of sphaeropsidin B', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[C:6](=O)O[C@@:9]1([CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH:7]=O)[C@@:10]2([C:20](=O)O)[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C(=O)O[C@@]1(CC[C@](C)(C=C)C=C1C=O)[C@@]2(C(=O)O)CCC[C@@]3(C)C', '[H][C@@:52]23[C:172](=O)O[C@@:84]1([CH2:41][CH2:33][C@:38]([CH3:28])([CH:143]=[CH2:115])[CH:151]=[C:135]1[CH:192]=O)[C@@:58]2([C:174](=O)O)[CH2:27][CH2:21][CH2:31][C@@:33]3([CH3:22])[CH3:32]', '26 28 H 14.53 -14.12 C:16 19.07 -8.20 C:19 12.22 -14.85 C:18 14.24 -14.94 C:17 16.44 -7.32 O 17.67 -13.41 O 14.63 -9.03 O 16.28 -14.89 O 12.47 -9.80 C:15 17.74 -7.76 C:7 18.12 -12.08 C:14 17.63 -9.72 C:2 12.02 -11.73 C:3 12.02 -13.17 C:12 15.36 -8.97 C:1 13.26 -11.00 C:11 14.93 -10.29 O 16.67 -12.45 C:20 13.82 -10.17 C:6 15.85 -13.58 C:8 17.21 -11.05 C:4 13.26 -13.89 C:13 16.72 -8.69 C:5 14.53 -13.17 C:9 15.85 -11.33 C:10 14.53 -11.73 24 1 -2 2 10 2 22 3 -1 22 4 -2 23 5 -1 6 11 2 7 19 2 8 20 2 9 19 1 23 10 -2 11 21 1 12 21 2 12 23 1 13 14 1 13 16 1 14 22 1 15 17 1 15 23 1 16 26 1 17 25 1 18 20 1 25 18 -2 26 19 -1 20 24 1 21 25 1 22 24 1 24 26 1 25 26 1', '26 28 H 14.53 -14.12 C 19.07 -8.20 C 12.22 -14.85 C 14.24 -14.94 C 16.44 -7.32 O 17.67 -13.41 O 14.63 -9.03 O 16.28 -14.89 O 12.47 -9.80 C 17.74 -7.76 C 18.12 -12.08 C 17.63 -9.72 C 12.02 -11.73 C 12.02 -13.17 C 15.36 -8.97 C 13.26 -11.00 C 14.93 -10.29 O 16.67 -12.45 C 13.82 -10.17 C 15.85 -13.58 C 17.21 -11.05 C 13.26 -13.89 C 16.72 -8.69 C 14.53 -13.17 C 15.85 -11.33 C 14.53 -11.73 24 1 -2 2 10 2 22 3 -1 22 4 -2 23 5 -1 6 11 2 7 19 2 8 20 2 9 19 1 23 10 -2 11 21 1 12 21 2 12 23 1 13 14 1 13 16 1 14 22 1 15 17 1 15 23 1 16 26 1 17 25 1 18 20 1 25 18 -2 26 19 -1 20 24 1 21 25 1 22 24 1 24 26 1 25 26 1', '26 28 H 14.53 -14.12 C:115 19.07 -8.20 C:22 12.22 -14.85 C:32 14.24 -14.94 C:28 16.44 -7.32 O 17.67 -13.41 O 14.63 -9.03 O 16.28 -14.89 O 12.47 -9.80 C:143 17.74 -7.76 C:192 18.12 -12.08 C:151 17.63 -9.72 C:21 12.02 -11.73 C:31 12.02 -13.17 C:33 15.36 -8.97 C:27 13.26 -11.00 C:41 14.93 -10.29 O 16.67 -12.45 C:174 13.82 -10.17 C:172 15.85 -13.58 C:135 17.21 -11.05 C:33 13.26 -13.89 C:38 16.72 -8.69 C:52 14.53 -13.17 C:84 15.85 -11.33 C:58 14.53 -11.73 24 1 -2 2 10 2 22 3 -1 22 4 -2 23 5 -1 6 11 2 7 19 2 8 20 2 9 19 1 23 10 -2 11 21 1 12 21 2 12 23 1 13 14 1 13 16 1 14 22 1 15 17 1 15 23 1 16 26 1 17 25 1 18 20 1 25 18 -2 26 19 -1 20 24 1 21 25 1 22 24 1 24 26 1 25 26 1', 'C20H26O5', 346.219, 'C', 'ph65_189_14', 2103, '', '', '1', 1, NULL, NULL),
(6186, '', '19-hydroxy-8(9),15-abietadiene ', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@@H:13]([C:15](=[CH2:16])[CH3:17])[CH2:14]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH2:19]O', '[H][C@@]23CCC1=C(CC[C@@H](C(=C)C)C1)[C@@]2(C)CCC[C@]3(C)CO', '[H][C@@:53]23[CH2:19][CH2:33][C:126]1=[C:138]([CH2:25][CH2:29][C@@H:42]([C:151](=[CH2:108])[CH3:21])[CH2:36]1)[C@@:38]2([CH3:20])[CH2:36][CH2:19][CH2:36][C@:39]3([CH3:27])[CH2:65]O', '22 24 H 13.73 -14.02 C:16 18.65 -7.41 C:17 19.88 -9.52 C:18 13.47 -14.88 C:20 13.73 -10.24 O 10.11 -14.37 C:2 11.27 -11.69 C:19 11.46 -14.78 C:11 14.96 -9.52 C:7 16.19 -13.11 C:12 16.19 -8.85 C:3 11.27 -13.11 C:1 12.49 -10.96 C:6 14.96 -13.81 C:14 17.42 -10.96 C:15 18.65 -8.85 C:8 16.19 -11.69 C:9 14.96 -10.96 C:13 17.42 -9.52 C:5 13.73 -13.11 C:4 12.49 -13.81 C:10 13.73 -11.69 20 1 -2 2 16 2 3 16 1 21 4 -2 22 5 -1 6 8 1 7 12 1 7 13 1 21 8 -1 9 11 1 9 18 1 10 14 1 10 17 1 11 19 1 12 21 1 13 22 1 14 20 1 15 17 1 15 19 1 19 16 -1 17 18 2 18 22 1 20 21 1 20 22 1', '22 24 H 13.73 -14.02 C 18.65 -7.41 C 19.88 -9.52 C 13.47 -14.88 C 13.73 -10.24 O 10.11 -14.37 C 11.27 -11.69 C 11.46 -14.78 C 14.96 -9.52 C 16.19 -13.11 C 16.19 -8.85 C 11.27 -13.11 C 12.49 -10.96 C 14.96 -13.81 C 17.42 -10.96 C 18.65 -8.85 C 16.19 -11.69 C 14.96 -10.96 C 17.42 -9.52 C 13.73 -13.11 C 12.49 -13.81 C 13.73 -11.69 20 1 -2 2 16 2 3 16 1 21 4 -2 22 5 -1 6 8 1 7 12 1 7 13 1 21 8 -1 9 11 1 9 18 1 10 14 1 10 17 1 11 19 1 12 21 1 13 22 1 14 20 1 15 17 1 15 19 1 19 16 -1 17 18 2 18 22 1 20 21 1 20 22 1', '22 24 H 13.73 -14.02 C:108 18.65 -7.41 C:21 19.88 -9.52 C:27 13.47 -14.88 C:20 13.73 -10.24 O 10.11 -14.37 C:19 11.27 -11.69 C:65 11.46 -14.78 C:25 14.96 -9.52 C:33 16.19 -13.11 C:29 16.19 -8.85 C:36 11.27 -13.11 C:36 12.49 -10.96 C:19 14.96 -13.81 C:36 17.42 -10.96 C:151 18.65 -8.85 C:126 16.19 -11.69 C:138 14.96 -10.96 C:42 17.42 -9.52 C:53 13.73 -13.11 C:39 12.49 -13.81 C:38 13.73 -11.69 20 1 -2 2 16 2 3 16 1 21 4 -2 22 5 -1 6 8 1 7 12 1 7 13 1 21 8 -1 9 11 1 9 18 1 10 14 1 10 17 1 11 19 1 12 21 1 13 22 1 14 20 1 15 17 1 15 19 1 19 16 -1 17 18 2 18 22 1 20 21 1 20 22 1', 'C20H32O', 288.221, 'C', 'ph42_767_1', 1798, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(6202, '', '16-Hidroxy ferruginol', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH2:17]O)[c:12](O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCc1cc(C(C)CO)c(O)cc1[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:51]23[CH2:20][CH2:30][c:130]1[cH:129][c:126]([CH:37]([CH3:25])[CH2:68]O)[c:155](O)[cH:112][c:149]1[C@@:38]2([CH3:18])[CH2:40][CH2:20][CH2:42][C@:37]3([CH3:34])[CH3:22]', '23 25 H 13.73 -14.02 C:16 18.65 -7.41 C:18 13.47 -14.88 C:19 11.46 -14.78 C:20 13.73 -10.24 O 19.91 -10.92 O 16.19 -7.45 C:11 14.96 -9.52 C:14 17.42 -10.96 C:17 19.88 -9.52 C:2 11.27 -11.69 C:7 16.19 -13.11 C:3 11.27 -13.11 C:1 12.49 -10.96 C:6 14.96 -13.81 C:12 16.19 -8.85 C:8 16.19 -11.69 C:13 17.42 -9.52 C:9 14.96 -10.96 C:15 18.65 -8.85 C:4 12.49 -13.81 C:5 13.73 -13.11 C:10 13.73 -11.69 22 1 -2 2 20 1 21 3 -2 21 4 -1 23 5 -1 6 10 1 7 16 1 8 16 2 8 19 1 9 17 1 9 18 2 10 20 1 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 23 1 15 22 1 16 18 1 17 19 2 18 20 1 19 23 1 21 22 1 22 23 1', '23 25 H 13.73 -14.02 C 18.65 -7.41 C 13.47 -14.88 C 11.46 -14.78 C 13.73 -10.24 O 19.91 -10.92 O 16.19 -7.45 C 14.96 -9.52 C 17.42 -10.96 C 19.88 -9.52 C 11.27 -11.69 C 16.19 -13.11 C 11.27 -13.11 C 12.49 -10.96 C 14.96 -13.81 C 16.19 -8.85 C 16.19 -11.69 C 17.42 -9.52 C 14.96 -10.96 C 18.65 -8.85 C 12.49 -13.81 C 13.73 -13.11 C 13.73 -11.69 22 1 -2 2 20 1 21 3 -2 21 4 -1 23 5 -1 6 10 1 7 16 1 8 16 2 8 19 1 9 17 1 9 18 2 10 20 1 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 23 1 15 22 1 16 18 1 17 19 2 18 20 1 19 23 1 21 22 1 22 23 1', '23 25 H 13.73 -14.02 C:25 18.65 -7.41 C:34 13.47 -14.88 C:22 11.46 -14.78 C:18 13.73 -10.24 O 19.91 -10.92 O 16.19 -7.45 C:112 14.96 -9.52 C:129 17.42 -10.96 C:68 19.88 -9.52 C:20 11.27 -11.69 C:30 16.19 -13.11 C:42 11.27 -13.11 C:40 12.49 -10.96 C:20 14.96 -13.81 C:155 16.19 -8.85 C:130 16.19 -11.69 C:126 17.42 -9.52 C:149 14.96 -10.96 C:37 18.65 -8.85 C:37 12.49 -13.81 C:51 13.73 -13.11 C:38 13.73 -11.69 22 1 -2 2 20 1 21 3 -2 21 4 -1 23 5 -1 6 10 1 7 16 1 8 16 2 8 19 1 9 17 1 9 18 2 10 20 1 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 23 1 15 22 1 16 18 1 17 19 2 18 20 1 19 23 1 21 22 1 22 23 1', 'C20H30O2', 302.221, 'P', 'ph48_1025_6', 2583, '', '', '1', 1, NULL, NULL),
(6203, 'Hinokiol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCc1cc(C(C)C)c(O)cc1[C@@]2(C)CC[C@H](O)[C@]3(C)C', '[H][C@@:51]23[CH2:20][CH2:31][c:133]1[cH:127][c:126]([CH:28]([CH3:23])[CH3:23])[c:154](O)[cH:112][c:148]1[C@@:40]2([CH3:16])[CH2:38][CH2:29][C@H:79](O)[C@:40]3([CH3:29])[CH3:23]', '23 25 H 13.73 -14.02 C:16 18.65 -7.41 C:17 19.88 -9.52 C:18 13.47 -14.88 C:19 11.46 -14.78 C:20 13.73 -10.24 O 16.19 -7.45 O 10.06 -13.82 C:14 17.42 -10.96 C:11 14.96 -9.52 C:7 16.19 -13.11 C:2 11.27 -11.69 C:6 14.96 -13.81 C:1 12.49 -10.96 C:12 16.19 -8.85 C:8 16.19 -11.69 C:13 17.42 -9.52 C:9 14.96 -10.96 C:15 18.65 -8.85 C:3 11.27 -13.11 C:4 12.49 -13.81 C:5 13.73 -13.11 C:10 13.73 -11.69 22 1 -2 2 19 1 3 19 1 21 4 -2 21 5 -1 23 6 -1 7 15 1 20 8 -1 9 16 1 9 17 2 10 15 2 10 18 1 11 13 1 11 16 1 12 14 1 12 20 1 13 22 1 14 23 1 15 17 1 16 18 2 17 19 1 18 23 1 20 21 1 21 22 1 22 23 1', '23 25 H 13.73 -14.02 C 18.65 -7.41 C 19.88 -9.52 C 13.47 -14.88 C 11.46 -14.78 C 13.73 -10.24 O 16.19 -7.45 O 10.06 -13.82 C 17.42 -10.96 C 14.96 -9.52 C 16.19 -13.11 C 11.27 -11.69 C 14.96 -13.81 C 12.49 -10.96 C 16.19 -8.85 C 16.19 -11.69 C 17.42 -9.52 C 14.96 -10.96 C 18.65 -8.85 C 11.27 -13.11 C 12.49 -13.81 C 13.73 -13.11 C 13.73 -11.69 22 1 -2 2 19 1 3 19 1 21 4 -2 21 5 -1 23 6 -1 7 15 1 20 8 -1 9 16 1 9 17 2 10 15 2 10 18 1 11 13 1 11 16 1 12 14 1 12 20 1 13 22 1 14 23 1 15 17 1 16 18 2 17 19 1 18 23 1 20 21 1 21 22 1 22 23 1', '23 25 H 13.73 -14.02 C:23 18.65 -7.41 C:23 19.88 -9.52 C:29 13.47 -14.88 C:23 11.46 -14.78 C:16 13.73 -10.24 O 16.19 -7.45 O 10.06 -13.82 C:127 17.42 -10.96 C:112 14.96 -9.52 C:31 16.19 -13.11 C:29 11.27 -11.69 C:20 14.96 -13.81 C:38 12.49 -10.96 C:154 16.19 -8.85 C:133 16.19 -11.69 C:126 17.42 -9.52 C:148 14.96 -10.96 C:28 18.65 -8.85 C:79 11.27 -13.11 C:40 12.49 -13.81 C:51 13.73 -13.11 C:40 13.73 -11.69 22 1 -2 2 19 1 3 19 1 21 4 -2 21 5 -1 23 6 -1 7 15 1 20 8 -1 9 16 1 9 17 2 10 15 2 10 18 1 11 13 1 11 16 1 12 14 1 12 20 1 13 22 1 14 23 1 15 17 1 16 18 2 17 19 1 18 23 1 20 21 1 21 22 1 22 23 1', 'C20H30O2', 302.221, 'P', 'ph48_1025_7', 2583, '', '', '1', 1, NULL, NULL),
(6204, '', '(+)-Isopimara-8(9),15-diene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CCC1=C(CC[C@](C)(C=C)C1)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[CH2:21][CH2:33][C:124]1=[C:137]([CH2:19][CH2:35][C@:35]([CH3:28])([CH:147]=[CH2:111])[CH2:33]1)[C@@:38]2([CH3:20])[CH2:37][CH2:19][CH2:42][C@@:33]3([CH3:22])[CH3:33]', '21 23 H 13.74 -13.56 C:16 19.81 -8.42 C:17 18.26 -7.90 C:19 11.47 -14.28 C:18 13.46 -14.37 C:20 13.74 -9.77 C:15 18.80 -9.41 C:2 11.27 -11.21 C:7 16.21 -12.63 C:11 14.98 -9.06 C:12 16.21 -8.36 C:3 11.27 -12.63 C:1 12.49 -10.49 C:6 14.98 -13.34 C:14 17.43 -10.49 C:8 16.21 -11.21 C:9 14.98 -10.49 C:13 17.43 -9.06 C:4 12.49 -13.34 C:5 13.74 -12.63 C:10 13.74 -11.21 20 1 -2 2 7 2 18 3 -1 19 4 -1 19 5 -2 21 6 -1 18 7 -2 8 12 1 8 13 1 9 14 1 9 16 1 10 11 1 10 17 1 11 18 1 12 19 1 13 21 1 14 20 1 15 16 1 15 18 1 16 17 2 17 21 1 19 20 1 20 21 1', '21 23 H 13.74 -13.56 C 19.81 -8.42 C 18.26 -7.90 C 11.47 -14.28 C 13.46 -14.37 C 13.74 -9.77 C 18.80 -9.41 C 11.27 -11.21 C 16.21 -12.63 C 14.98 -9.06 C 16.21 -8.36 C 11.27 -12.63 C 12.49 -10.49 C 14.98 -13.34 C 17.43 -10.49 C 16.21 -11.21 C 14.98 -10.49 C 17.43 -9.06 C 12.49 -13.34 C 13.74 -12.63 C 13.74 -11.21 20 1 -2 2 7 2 18 3 -1 19 4 -1 19 5 -2 21 6 -1 18 7 -2 8 12 1 8 13 1 9 14 1 9 16 1 10 11 1 10 17 1 11 18 1 12 19 1 13 21 1 14 20 1 15 16 1 15 18 1 16 17 2 17 21 1 19 20 1 20 21 1', '21 23 H 13.74 -13.56 C:111 19.81 -8.42 C:28 18.26 -7.90 C:22 11.47 -14.28 C:33 13.46 -14.37 C:20 13.74 -9.77 C:147 18.80 -9.41 C:19 11.27 -11.21 C:33 16.21 -12.63 C:19 14.98 -9.06 C:35 16.21 -8.36 C:42 11.27 -12.63 C:37 12.49 -10.49 C:21 14.98 -13.34 C:33 17.43 -10.49 C:124 16.21 -11.21 C:137 14.98 -10.49 C:35 17.43 -9.06 C:33 12.49 -13.34 C:52 13.74 -12.63 C:38 13.74 -11.21 20 1 -2 2 7 2 18 3 -1 19 4 -1 19 5 -2 21 6 -1 18 7 -2 8 12 1 8 13 1 9 14 1 9 16 1 10 11 1 10 17 1 11 18 1 12 19 1 13 21 1 14 20 1 15 16 1 15 18 1 16 17 2 17 21 1 19 20 1 20 21 1', 'C20H32', 272.222, 'P', 'ph48_1025_10', 2583, '', '', '1', 1, NULL, NULL),
(6208, 'Steviol', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][C:16](=[CH2:17])[C@:13](O)([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@]14CC(=C)[C@](O)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:54]23[CH2:22][CH2:39][C@:42]14[CH2:47][C:156](=[CH2:103])[C@:80](O)([CH2:41][CH2:19][C@@:57]1([H])[C@:40]2([CH3:16])[CH2:40][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:183](=O)O)[CH2:47]4', '25 28 H 14.28 -13.10 H 15.50 -10.97 C:17 20.47 -9.24 C:18 14.00 -13.86 C:20 14.26 -9.29 O 10.68 -13.37 O 12.35 -15.13 O 17.93 -7.17 C:2 11.82 -10.69 C:3 11.82 -12.09 C:11 15.50 -8.57 C:6 15.50 -12.82 C:1 13.03 -9.98 C:12 16.72 -7.86 C:7 16.72 -12.09 C:15 18.29 -10.99 C:14 17.93 -9.98 C:16 19.09 -9.57 C:19 12.02 -13.77 C:5 14.26 -12.09 C:9 15.50 -9.98 C:4 13.03 -12.82 C:10 14.26 -10.69 C:13 17.93 -8.57 C:8 16.72 -10.69 20 1 -1 21 2 -1 3 18 2 22 4 -1 23 5 -2 6 19 2 7 19 1 24 8 -1 9 10 1 9 13 1 10 22 1 11 14 1 11 21 1 12 15 1 12 20 1 13 23 1 14 24 1 15 25 1 16 18 1 16 25 1 24 17 -2 25 17 -2 18 24 1 22 19 -2 20 22 1 20 23 1 21 23 1 21 25 1', '25 28 H 14.28 -13.10 H 15.50 -10.97 C 20.47 -9.24 C 14.00 -13.86 C 14.26 -9.29 O 10.68 -13.37 O 12.35 -15.13 O 17.93 -7.17 C 11.82 -10.69 C 11.82 -12.09 C 15.50 -8.57 C 15.50 -12.82 C 13.03 -9.98 C 16.72 -7.86 C 16.72 -12.09 C 18.29 -10.99 C 17.93 -9.98 C 19.09 -9.57 C 12.02 -13.77 C 14.26 -12.09 C 15.50 -9.98 C 13.03 -12.82 C 14.26 -10.69 C 17.93 -8.57 C 16.72 -10.69 20 1 -1 21 2 -1 3 18 2 22 4 -1 23 5 -2 6 19 2 7 19 1 24 8 -1 9 10 1 9 13 1 10 22 1 11 14 1 11 21 1 12 15 1 12 20 1 13 23 1 14 24 1 15 25 1 16 18 1 16 25 1 24 17 -2 25 17 -2 18 24 1 22 19 -2 20 22 1 20 23 1 21 23 1 21 25 1', '25 28 H 14.28 -13.10 H 15.50 -10.97 C:103 20.47 -9.24 C:29 14.00 -13.86 C:16 14.26 -9.29 O 10.68 -13.37 O 12.35 -15.13 O 17.93 -7.17 C:19 11.82 -10.69 C:38 11.82 -12.09 C:19 15.50 -8.57 C:22 15.50 -12.82 C:40 13.03 -9.98 C:41 16.72 -7.86 C:39 16.72 -12.09 C:47 18.29 -10.99 C:47 17.93 -9.98 C:156 19.09 -9.57 C:183 12.02 -13.77 C:54 14.26 -12.09 C:57 15.50 -9.98 C:44 13.03 -12.82 C:40 14.26 -10.69 C:80 17.93 -8.57 C:42 16.72 -10.69 20 1 -1 21 2 -1 3 18 2 22 4 -1 23 5 -2 6 19 2 7 19 1 24 8 -1 9 10 1 9 13 1 10 22 1 11 14 1 11 21 1 12 15 1 12 20 1 13 23 1 14 24 1 15 25 1 16 18 1 16 25 1 24 17 -2 25 17 -2 18 24 1 22 19 -2 20 22 1 20 23 1 21 23 1 21 25 1', 'C20H30O3', 318.228, 'C', 'ph51_83_1', 2121, '', '', '1', 1, NULL, NULL),
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(6222, 'Ethyl Gallate', '', 'Aromatics', 'Benzenes', '', '[CH3:7002][CH2:7001]O[C:7](=O)[c:1]1[cH:6][c:5](O)[c:4](O)[c:3](O)[cH:2]1', 'CCOC(=O)c1cc(O)c(O)c(O)c1', '[CH3:15][CH2:61]O[C:168](=O)[c:122]1[cH:111][c:148](O)[c:141](O)[c:148](O)[cH:111]1', '14 14 C:7002 19.83 -10.44 O 16.18 -8.34 O 13.77 -13.94 O 11.34 -9.74 O 11.34 -12.54 C:6 14.98 -11.84 C:2 13.77 -9.74 C:7001 18.62 -9.74 O 17.40 -10.44 C:7 16.18 -9.74 C:5 13.77 -12.54 C:3 12.56 -10.44 C:1 14.98 -10.44 C:4 12.56 -11.84 1 8 1 2 10 2 3 11 1 4 12 1 5 14 1 6 11 2 6 13 1 7 12 1 7 13 2 8 9 1 9 10 1 10 13 1 11 14 1 12 14 2', '14 14 C 19.83 -10.44 O 16.18 -8.34 O 13.77 -13.94 O 11.34 -9.74 O 11.34 -12.54 C 14.98 -11.84 C 13.77 -9.74 C 18.62 -9.74 O 17.40 -10.44 C 16.18 -9.74 C 13.77 -12.54 C 12.56 -10.44 C 14.98 -10.44 C 12.56 -11.84 1 8 1 2 10 2 3 11 1 4 12 1 5 14 1 6 11 2 6 13 1 7 12 1 7 13 2 8 9 1 9 10 1 10 13 1 11 14 1 12 14 2', '14 14 C:15 19.83 -10.44 O 16.18 -8.34 O 13.77 -13.94 O 11.34 -9.74 O 11.34 -12.54 C:111 14.98 -11.84 C:111 13.77 -9.74 C:61 18.62 -9.74 O 17.40 -10.44 C:168 16.18 -9.74 C:148 13.77 -12.54 C:148 12.56 -10.44 C:122 14.98 -10.44 C:141 12.56 -11.84 1 8 1 2 10 2 3 11 1 4 12 1 5 14 1 6 11 2 6 13 1 7 12 1 7 13 2 8 9 1 9 10 1 10 13 1 11 14 1 12 14 2', 'C9H10O5', 198.093, 'P', 'hca04_758', 541, '', '', '1', 1, NULL, NULL),
(6223, 'Protocatechuic Acid', '', 'Aromatics', 'Benzenes', '', 'O=[C:7](O)[c:1]1[cH:6][cH:5][c:4](O)[c:3](O)[cH:2]1', 'O=C(O)c1ccc(O)c(O)c1', 'O=[C:170](O)[c:123]1[cH:116][cH:123][c:152](O)[c:147](O)[cH:118]1', '11 11 O 17.36 -9.07 O 18.58 -11.17 O 12.52 -13.27 O 12.52 -10.47 C:5 14.95 -13.27 C:6 16.16 -12.57 C:2 14.95 -10.47 C:7 17.36 -10.47 C:4 13.74 -12.57 C:3 13.74 -11.17 C:1 16.16 -11.17 1 8 2 2 8 1 3 9 1 4 10 1 5 6 2 5 9 1 6 11 1 7 10 1 7 11 2 8 11 1 9 10 2', '11 11 O 17.36 -9.07 O 18.58 -11.17 O 12.52 -13.27 O 12.52 -10.47 C 14.95 -13.27 C 16.16 -12.57 C 14.95 -10.47 C 17.36 -10.47 C 13.74 -12.57 C 13.74 -11.17 C 16.16 -11.17 1 8 2 2 8 1 3 9 1 4 10 1 5 6 2 5 9 1 6 11 1 7 10 1 7 11 2 8 11 1 9 10 2', '11 11 O 17.36 -9.07 O 18.58 -11.17 O 12.52 -13.27 O 12.52 -10.47 C:123 14.95 -13.27 C:116 16.16 -12.57 C:118 14.95 -10.47 C:170 17.36 -10.47 C:152 13.74 -12.57 C:147 13.74 -11.17 C:123 16.16 -11.17 1 8 2 2 8 1 3 9 1 4 10 1 5 6 2 5 9 1 6 11 1 7 10 1 7 11 2 8 11 1 9 10 2', 'C7H6O4', 154.072, 'P', 'hca04_758', 541, '', '', '1', 1, NULL, NULL),
(6224, '', '(16a)-17-Hydroxy-ent-atisan-19-oic Acid Methyl Ester', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH3:19001])[C@H:16]([CH2:17]O)[CH2:15]4', '[H][C@]23CC[C@@]14CC[C@H](C[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)OC)[C@H](CO)C4', '[H][C@:59]23[CH2:24][CH2:43][C@@:46]14[CH2:33][CH2:38][C@H:40]([CH2:20][C@@:57]1([H])[C@:41]2([CH3:17])[CH2:42][CH2:21][CH2:40][C@@:46]3([CH3:30])[C:180](=O)O[CH3:52])[C@H:42]([CH2:73]O)[CH2:46]4', '26 29 H 14.33 -12.29 H 15.56 -10.26 C:19001 11.39 -15.32 C:18 14.05 -13.08 C:20 14.31 -8.41 O 10.69 -12.58 O 20.47 -7.72 C:2 11.83 -9.86 C:17 19.26 -7.01 C:13 16.19 -8.25 C:3 11.83 -11.27 C:1 13.05 -9.14 C:6 15.56 -12.00 C:14 17.54 -8.76 C:7 16.80 -11.27 C:11 15.56 -7.70 C:15 18.05 -9.14 O 12.38 -14.33 C:19 12.04 -12.97 C:16 18.05 -7.70 C:12 16.80 -6.97 C:5 14.31 -11.27 C:9 15.56 -9.14 C:4 13.05 -12.00 C:10 14.31 -9.86 C:8 16.80 -9.86 22 1 -1 23 2 -1 3 18 1 24 4 -1 25 5 -2 6 19 2 7 9 1 8 11 1 8 12 1 20 9 -2 10 14 1 21 10 -2 11 24 1 12 25 1 13 15 1 13 22 1 26 14 -2 15 26 1 16 21 1 16 23 1 17 20 1 17 26 1 18 19 1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.33 -12.29 H 15.56 -10.26 C 11.39 -15.32 C 14.05 -13.08 C 14.31 -8.41 O 10.69 -12.58 O 20.47 -7.72 C 11.83 -9.86 C 19.26 -7.01 C 16.19 -8.25 C 11.83 -11.27 C 13.05 -9.14 C 15.56 -12.00 C 17.54 -8.76 C 16.80 -11.27 C 15.56 -7.70 C 18.05 -9.14 O 12.38 -14.33 C 12.04 -12.97 C 18.05 -7.70 C 16.80 -6.97 C 14.31 -11.27 C 15.56 -9.14 C 13.05 -12.00 C 14.31 -9.86 C 16.80 -9.86 22 1 -1 23 2 -1 3 18 1 24 4 -1 25 5 -2 6 19 2 7 9 1 8 11 1 8 12 1 20 9 -2 10 14 1 21 10 -2 11 24 1 12 25 1 13 15 1 13 22 1 26 14 -2 15 26 1 16 21 1 16 23 1 17 20 1 17 26 1 18 19 1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', '26 29 H 14.33 -12.29 H 15.56 -10.26 C:52 11.39 -15.32 C:30 14.05 -13.08 C:17 14.31 -8.41 O 10.69 -12.58 O 20.47 -7.72 C:21 11.83 -9.86 C:73 19.26 -7.01 C:38 16.19 -8.25 C:40 11.83 -11.27 C:42 13.05 -9.14 C:24 15.56 -12.00 C:33 17.54 -8.76 C:43 16.80 -11.27 C:20 15.56 -7.70 C:46 18.05 -9.14 O 12.38 -14.33 C:180 12.04 -12.97 C:42 18.05 -7.70 C:40 16.80 -6.97 C:59 14.31 -11.27 C:57 15.56 -9.14 C:46 13.05 -12.00 C:41 14.31 -9.86 C:46 16.80 -9.86 22 1 -1 23 2 -1 3 18 1 24 4 -1 25 5 -2 6 19 2 7 9 1 8 11 1 8 12 1 20 9 -2 10 14 1 21 10 -2 11 24 1 12 25 1 13 15 1 13 22 1 26 14 -2 15 26 1 16 21 1 16 23 1 17 20 1 17 26 1 18 19 1 24 19 -2 20 21 1 22 24 1 22 25 1 23 25 1 23 26 1', 'C21H34O3', 334.239, 'M', 'hca05_2424_1', 542, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(6243, '', 'ent-3b,16a,17-Trihydroxyatis-13-en-11-one', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:14]=[CH:13][C@H:12]([C:11](=O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH3:19])[C@:16](O)([CH2:17]O)[CH2:15]4', '[H][C@]23CC[C@@]14C=C[C@H](C(=O)[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@@]3(C)C)[C@](O)(CO)C4', '[H][C@:56]23[CH2:20][CH2:38][C@@:40]14[CH:143]=[CH:124][C@H:60]([C:213](=O)[C@@:62]1([H])[C@:43]2([CH3:16])[CH2:39][CH2:28][C@@H:79](O)[C@@:40]3([CH3:29])[CH3:18])[C@:78](O)([CH2:69]O)[CH2:49]4', '26 29 H 13.53 -14.87 H 14.82 -12.77 C:19 11.16 -15.59 C:18 13.23 -15.70 C:20 13.51 -10.86 O 13.59 -9.44 O 19.33 -8.98 O 9.73 -14.49 O 18.42 -11.25 C:13 16.57 -10.29 C:14 16.57 -11.53 C:17 17.94 -9.06 C:2 10.95 -12.35 C:6 14.82 -14.57 C:1 12.20 -11.60 C:7 16.10 -13.81 C:15 17.40 -11.60 C:11 14.82 -10.13 C:3 10.95 -13.81 C:12 16.10 -9.36 C:4 12.20 -14.57 C:5 13.51 -13.81 C:9 14.82 -11.60 C:10 13.51 -12.35 C:16 17.40 -10.13 C:8 16.10 -12.35 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 6 18 2 7 12 1 19 8 -2 25 9 -1 10 11 2 20 10 -2 26 11 -2 25 12 -2 13 15 1 13 19 1 14 16 1 14 22 1 15 24 1 16 26 1 17 25 1 17 26 1 18 20 1 18 23 1 19 21 1 20 25 1 21 22 1 22 24 1 23 24 1 23 26 1', '26 29 H 13.53 -14.87 H 14.82 -12.77 C 11.16 -15.59 C 13.23 -15.70 C 13.51 -10.86 O 13.59 -9.44 O 19.33 -8.98 O 9.73 -14.49 O 18.42 -11.25 C 16.57 -10.29 C 16.57 -11.53 C 17.94 -9.06 C 10.95 -12.35 C 14.82 -14.57 C 12.20 -11.60 C 16.10 -13.81 C 17.40 -11.60 C 14.82 -10.13 C 10.95 -13.81 C 16.10 -9.36 C 12.20 -14.57 C 13.51 -13.81 C 14.82 -11.60 C 13.51 -12.35 C 17.40 -10.13 C 16.10 -12.35 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 6 18 2 7 12 1 19 8 -2 25 9 -1 10 11 2 20 10 -2 26 11 -2 25 12 -2 13 15 1 13 19 1 14 16 1 14 22 1 15 24 1 16 26 1 17 25 1 17 26 1 18 20 1 18 23 1 19 21 1 20 25 1 21 22 1 22 24 1 23 24 1 23 26 1', '26 29 H 13.53 -14.87 H 14.82 -12.77 C:18 11.16 -15.59 C:29 13.23 -15.70 C:16 13.51 -10.86 O 13.59 -9.44 O 19.33 -8.98 O 9.73 -14.49 O 18.42 -11.25 C:124 16.57 -10.29 C:143 16.57 -11.53 C:69 17.94 -9.06 C:28 10.95 -12.35 C:20 14.82 -14.57 C:39 12.20 -11.60 C:38 16.10 -13.81 C:49 17.40 -11.60 C:213 14.82 -10.13 C:79 10.95 -13.81 C:60 16.10 -9.36 C:40 12.20 -14.57 C:56 13.51 -13.81 C:62 14.82 -11.60 C:43 13.51 -12.35 C:78 17.40 -10.13 C:40 16.10 -12.35 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 6 18 2 7 12 1 19 8 -2 25 9 -1 10 11 2 20 10 -2 26 11 -2 25 12 -2 13 15 1 13 19 1 14 16 1 14 22 1 15 24 1 16 26 1 17 25 1 17 26 1 18 20 1 18 23 1 19 21 1 20 25 1 21 22 1 22 24 1 23 24 1 23 26 1', 'C20H30O4', 334.227, 'C', 'np97_86_18', 706, '', '', '1', 1, NULL, NULL),
(6244, '', 'ent-7a-Acetoxy-3b,12a,17-trihydroxybeyer-15-ene', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]34[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@:8]12[CH:15]=[CH:16][C@:13]([CH2:17]O)([CH2:14]1)[C@H:12](O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]4([CH3:18])[CH3:19]', '[H][C@]34C[C@H](OC(C)=O)[C@]12C=C[C@](CO)(C1)[C@H](O)C[C@@]2([H])[C@]3(C)CC[C@@H](O)[C@@]4(C)C', '[H][C@:49]34[CH2:26][C@H:77](O[C:172]([CH3:21])=O)[C@:55]12[CH:136]=[CH:136][C@:54]([CH2:66]O)([CH2:45]1)[C@H:68](O)[CH2:30][C@@:46]2([H])[C@:39]3([CH3:14])[CH2:38][CH2:28][C@@H:80](O)[C@@:38]4([CH3:29])[CH3:16]', '29 32 H 14.97 -13.62 H 16.18 -11.49 C:7002 19.85 -15.34 C:18 14.68 -14.38 C:19 12.70 -14.29 C:20 14.95 -9.79 O 17.34 -15.16 O 19.82 -6.99 O 11.29 -13.26 O 17.40 -6.96 C:16 19.77 -10.08 C:15 18.97 -11.51 C:17 18.62 -7.69 C:2 12.51 -11.20 C:1 13.71 -10.49 C:11 16.18 -9.08 C:6 16.18 -13.34 C:14 18.62 -10.49 O 18.64 -13.25 C:7001 18.64 -14.65 C:3 12.51 -12.60 C:12 17.40 -8.37 C:7 17.40 -12.60 C:4 13.71 -13.34 C:5 14.95 -12.60 C:9 16.18 -10.49 C:10 14.95 -11.20 C:13 18.62 -9.08 C:8 17.40 -11.20 25 1 -1 26 2 -1 3 20 1 24 4 -1 24 5 -2 27 6 -2 7 20 2 8 13 1 21 9 -2 22 10 -1 11 12 2 28 11 -2 29 12 -2 28 13 -1 14 15 1 14 21 1 15 27 1 16 22 1 16 26 1 17 23 1 17 25 1 18 28 1 18 29 1 19 20 1 23 19 -1 21 24 1 22 28 1 23 29 1 24 25 1 25 27 1 26 27 1 26 29 1', '29 32 H 14.97 -13.62 H 16.18 -11.49 C 19.85 -15.34 C 14.68 -14.38 C 12.70 -14.29 C 14.95 -9.79 O 17.34 -15.16 O 19.82 -6.99 O 11.29 -13.26 O 17.40 -6.96 C 19.77 -10.08 C 18.97 -11.51 C 18.62 -7.69 C 12.51 -11.20 C 13.71 -10.49 C 16.18 -9.08 C 16.18 -13.34 C 18.62 -10.49 O 18.64 -13.25 C 18.64 -14.65 C 12.51 -12.60 C 17.40 -8.37 C 17.40 -12.60 C 13.71 -13.34 C 14.95 -12.60 C 16.18 -10.49 C 14.95 -11.20 C 18.62 -9.08 C 17.40 -11.20 25 1 -1 26 2 -1 3 20 1 24 4 -1 24 5 -2 27 6 -2 7 20 2 8 13 1 21 9 -2 22 10 -1 11 12 2 28 11 -2 29 12 -2 28 13 -1 14 15 1 14 21 1 15 27 1 16 22 1 16 26 1 17 23 1 17 25 1 18 28 1 18 29 1 19 20 1 23 19 -1 21 24 1 22 28 1 23 29 1 24 25 1 25 27 1 26 27 1 26 29 1', '29 32 H 14.97 -13.62 H 16.18 -11.49 C:21 19.85 -15.34 C:29 14.68 -14.38 C:16 12.70 -14.29 C:14 14.95 -9.79 O 17.34 -15.16 O 19.82 -6.99 O 11.29 -13.26 O 17.40 -6.96 C:136 19.77 -10.08 C:136 18.97 -11.51 C:66 18.62 -7.69 C:28 12.51 -11.20 C:38 13.71 -10.49 C:30 16.18 -9.08 C:26 16.18 -13.34 C:45 18.62 -10.49 O 18.64 -13.25 C:172 18.64 -14.65 C:80 12.51 -12.60 C:68 17.40 -8.37 C:77 17.40 -12.60 C:38 13.71 -13.34 C:49 14.95 -12.60 C:46 16.18 -10.49 C:39 14.95 -11.20 C:54 18.62 -9.08 C:55 17.40 -11.20 25 1 -1 26 2 -1 3 20 1 24 4 -1 24 5 -2 27 6 -2 7 20 2 8 13 1 21 9 -2 22 10 -1 11 12 2 28 11 -2 29 12 -2 28 13 -1 14 15 1 14 21 1 15 27 1 16 22 1 16 26 1 17 23 1 17 25 1 18 28 1 18 29 1 19 20 1 23 19 -1 21 24 1 22 28 1 23 29 1 24 25 1 25 27 1 26 27 1 26 29 1', 'C22H34O5', 378.248, 'C', 'np97_86_19', 706, '', '', '1', 1, NULL, NULL),
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(6256, 'Spiramilactone D', '', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@@:8]15[CH2:14][CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]24[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O[CH2:20]4)[C@@:16]([CH3:17])(O)[C@@H:15]5O', '[H][C@]23C[C@@H](O)[C@@]15CC[C@H](C[C@@]1([H])[C@]24CCC[C@@]3(C)C(=O)OC4)[C@@](C)(O)[C@@H]5O', '[H][C@:48]23[CH2:23][C@@H:82](O)[C@@:39]15[CH2:20][CH2:21][C@H:53]([CH2:22][C@@:39]1([H])[C@:34]24[CH2:53][CH2:43][CH2:38][C@@:47]3([CH3:27])[C:175](=O)O[CH2:76]4)[C@@:70]([CH3:31])(O)[C@@H:71]5O', '27 31 H 14.38 -13.14 H 15.53 -11.22 C:17 19.11 -9.49 C:18 14.11 -13.87 O 13.25 -14.77 O 17.94 -12.86 O 19.09 -10.90 O 18.53 -7.57 C:2 12.03 -10.84 C:13 16.13 -9.35 C:3 12.03 -12.17 C:1 13.18 -10.18 C:14 17.40 -9.83 C:20 14.36 -9.51 C:6 15.53 -12.85 C:11 15.53 -8.83 O 13.01 -11.43 C:19 12.22 -13.77 C:7 16.71 -12.17 C:12 16.71 -8.14 C:15 17.88 -10.18 C:16 17.88 -8.83 C:5 14.36 -12.17 C:9 15.53 -10.18 C:4 13.18 -12.85 C:10 14.36 -10.84 C:8 16.71 -10.84 23 1 -1 24 2 -1 22 3 -2 25 4 -1 5 18 2 19 6 -2 21 7 -2 22 8 -1 9 11 1 9 12 1 10 13 1 20 10 -2 11 25 1 12 26 1 27 13 -2 14 17 1 26 14 -2 15 19 1 15 23 1 16 20 1 16 24 1 17 18 1 25 18 -2 19 27 1 20 22 1 21 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 31 H 14.38 -13.14 H 15.53 -11.22 C 19.11 -9.49 C 14.11 -13.87 O 13.25 -14.77 O 17.94 -12.86 O 19.09 -10.90 O 18.53 -7.57 C 12.03 -10.84 C 16.13 -9.35 C 12.03 -12.17 C 13.18 -10.18 C 17.40 -9.83 C 14.36 -9.51 C 15.53 -12.85 C 15.53 -8.83 O 13.01 -11.43 C 12.22 -13.77 C 16.71 -12.17 C 16.71 -8.14 C 17.88 -10.18 C 17.88 -8.83 C 14.36 -12.17 C 15.53 -10.18 C 13.18 -12.85 C 14.36 -10.84 C 16.71 -10.84 23 1 -1 24 2 -1 22 3 -2 25 4 -1 5 18 2 19 6 -2 21 7 -2 22 8 -1 9 11 1 9 12 1 10 13 1 20 10 -2 11 25 1 12 26 1 27 13 -2 14 17 1 26 14 -2 15 19 1 15 23 1 16 20 1 16 24 1 17 18 1 25 18 -2 19 27 1 20 22 1 21 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', '27 31 H 14.38 -13.14 H 15.53 -11.22 C:31 19.11 -9.49 C:27 14.11 -13.87 O 13.25 -14.77 O 17.94 -12.86 O 19.09 -10.90 O 18.53 -7.57 C:43 12.03 -10.84 C:21 16.13 -9.35 C:38 12.03 -12.17 C:53 13.18 -10.18 C:20 17.40 -9.83 C:76 14.36 -9.51 C:23 15.53 -12.85 C:22 15.53 -8.83 O 13.01 -11.43 C:175 12.22 -13.77 C:82 16.71 -12.17 C:53 16.71 -8.14 C:71 17.88 -10.18 C:70 17.88 -8.83 C:48 14.36 -12.17 C:39 15.53 -10.18 C:47 13.18 -12.85 C:34 14.36 -10.84 C:39 16.71 -10.84 23 1 -1 24 2 -1 22 3 -2 25 4 -1 5 18 2 19 6 -2 21 7 -2 22 8 -1 9 11 1 9 12 1 10 13 1 20 10 -2 11 25 1 12 26 1 27 13 -2 14 17 1 26 14 -2 15 19 1 15 23 1 16 20 1 16 24 1 17 18 1 25 18 -2 19 27 1 20 22 1 21 22 1 21 27 1 23 25 1 23 26 1 24 26 1 24 27 1', 'C20H30O5', 350.227, 'C', 'ph_48_1213_4', 823, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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'[H][C@@:48]48[CH2:21][CH2:26][C@@:48]3([H])[C@:47]2([CH3:23])[CH2:49][C@H:73](O)[C@@:56]([H])([C:86]1([CH3:26])[CH2:37][CH2:25][CH:85]([C:71]([CH3:28])([CH3:26])O)O1)[C@@:52]2([CH2:66]O)[CH2:29][CH2:27][C@:20]35[CH2:30][C@:27]45[CH2:32][CH2:30][C@H:89](O[C@@H:107]7O[C@H:77]([CH2:70]O[C@@H:105]6O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:75]6O)[C@@H:72](O)[C@H:78](O)[C@H:76]7O)[C@@:41]8([CH3:15])[CH3:26]', '60 67 H 15.18 -16.13 H 17.64 -12.45 H 20.08 -11.87 C:26 23.20 -5.62 C:27 24.46 -7.58 C:29 12.99 -16.96 C:28 14.76 -16.92 C:21 19.34 -9.35 C:30 18.93 -14.25 O 12.69 -5.20 O 17.58 -9.28 O 22.50 -12.18 O 7.85 -6.60 O 6.63 -15.69 O 10.27 -5.20 O 6.65 -12.90 O 7.85 -9.40 O 9.07 -17.10 O 24.34 -6.21 C:206 12.69 -6.60 C:18 18.93 -9.97 C:23 20.73 -7.34 C:2 12.69 -13.55 C:22 19.89 -8.46 C:1 13.94 -12.86 C:6 16.44 -15.73 C:7 17.64 -15.00 C:12 17.64 -10.67 C:11 16.44 -11.41 C:106 9.06 -11.50 C:15 20.23 -13.28 C:19 15.20 -12.14 O 10.27 -10.80 O 11.48 -8.70 O 10.27 -13.60 O 11.48 -15.70 O 22.06 -9.21 C:16 21.11 -12.14 C:203 9.06 -7.30 C:103 7.84 -15.00 C:204 10.27 -6.60 C:104 7.85 -13.60 C:202 9.06 -8.70 C:102 9.06 -15.70 C:205 11.48 -7.30 C:105 9.06 -12.90 C:3 12.69 -15.00 C:24 22.05 -7.80 C:201 10.27 -9.40 C:101 10.27 -15.00 C:25 23.20 -7.00 C:4 13.94 -15.73 C:20 20.69 -9.61 C:5 15.18 -15.00 C:8 17.64 -13.55 C:14 18.90 -12.86 C:17 20.23 -10.95 C:13 18.90 -11.41 C:10 15.18 -13.55 C:9 16.44 -12.86 54 1 -2 55 2 -1 57 3 -1 4 51 1 5 51 1 52 6 -1 52 7 -2 8 53 1 56 9 -2 10 20 1 11 21 1 38 12 -1 39 13 -1 40 14 -1 41 15 -2 42 16 -2 43 17 -2 44 18 -2 19 51 1 45 20 -1 58 21 -1 22 24 1 22 48 1 23 25 1 23 47 1 24 53 1 25 59 1 26 27 1 26 54 1 27 55 1 28 29 1 28 58 1 29 60 1 30 33 1 46 30 -1 31 38 1 31 56 1 59 32 -1 60 32 -1 49 33 -1 34 45 1 34 49 1 35 46 1 35 50 1 47 36 -1 50 36 -1 37 48 1 37 53 1 38 57 1 39 41 1 39 43 1 40 42 1 40 44 1 41 45 1 42 46 1 43 49 1 44 50 1 47 52 1 48 51 1 52 54 1 53 57 1 54 59 1 55 56 1 55 60 1 56 58 1 57 58 1 59 60 1', '60 67 H 15.18 -16.13 H 17.64 -12.45 H 20.08 -11.87 C 23.20 -5.62 C 24.46 -7.58 C 12.99 -16.96 C 14.76 -16.92 C 19.34 -9.35 C 18.93 -14.25 O 12.69 -5.20 O 17.58 -9.28 O 22.50 -12.18 O 7.85 -6.60 O 6.63 -15.69 O 10.27 -5.20 O 6.65 -12.90 O 7.85 -9.40 O 9.07 -17.10 O 24.34 -6.21 C 12.69 -6.60 C 18.93 -9.97 C 20.73 -7.34 C 12.69 -13.55 C 19.89 -8.46 C 13.94 -12.86 C 16.44 -15.73 C 17.64 -15.00 C 17.64 -10.67 C 16.44 -11.41 C 9.06 -11.50 C 20.23 -13.28 C 15.20 -12.14 O 10.27 -10.80 O 11.48 -8.70 O 10.27 -13.60 O 11.48 -15.70 O 22.06 -9.21 C 21.11 -12.14 C 9.06 -7.30 C 7.84 -15.00 C 10.27 -6.60 C 7.85 -13.60 C 9.06 -8.70 C 9.06 -15.70 C 11.48 -7.30 C 9.06 -12.90 C 12.69 -15.00 C 22.05 -7.80 C 10.27 -9.40 C 10.27 -15.00 C 23.20 -7.00 C 13.94 -15.73 C 20.69 -9.61 C 15.18 -15.00 C 17.64 -13.55 C 18.90 -12.86 C 20.23 -10.95 C 18.90 -11.41 C 15.18 -13.55 C 16.44 -12.86 54 1 -2 55 2 -1 57 3 -1 4 51 1 5 51 1 52 6 -1 52 7 -2 8 53 1 56 9 -2 10 20 1 11 21 1 38 12 -1 39 13 -1 40 14 -1 41 15 -2 42 16 -2 43 17 -2 44 18 -2 19 51 1 45 20 -1 58 21 -1 22 24 1 22 48 1 23 25 1 23 47 1 24 53 1 25 59 1 26 27 1 26 54 1 27 55 1 28 29 1 28 58 1 29 60 1 30 33 1 46 30 -1 31 38 1 31 56 1 59 32 -1 60 32 -1 49 33 -1 34 45 1 34 49 1 35 46 1 35 50 1 47 36 -1 50 36 -1 37 48 1 37 53 1 38 57 1 39 41 1 39 43 1 40 42 1 40 44 1 41 45 1 42 46 1 43 49 1 44 50 1 47 52 1 48 51 1 52 54 1 53 57 1 54 59 1 55 56 1 55 60 1 56 58 1 57 58 1 59 60 1', '60 67 H 15.18 -16.13 H 17.64 -12.45 H 20.08 -11.87 C:28 23.20 -5.62 C:26 24.46 -7.58 C:15 12.99 -16.96 C:26 14.76 -16.92 C:26 19.34 -9.35 C:23 18.93 -14.25 O 12.69 -5.20 O 17.58 -9.28 O 22.50 -12.18 O 7.85 -6.60 O 6.63 -15.69 O 10.27 -5.20 O 6.65 -12.90 O 7.85 -9.40 O 9.07 -17.10 O 24.34 -6.21 C:63 12.69 -6.60 C:66 18.93 -9.97 C:25 20.73 -7.34 C:30 12.69 -13.55 C:37 19.89 -8.46 C:32 13.94 -12.86 C:21 16.44 -15.73 C:26 17.64 -15.00 C:29 17.64 -10.67 C:27 16.44 -11.41 C:70 9.06 -11.50 C:49 20.23 -13.28 C:30 15.20 -12.14 O 10.27 -10.80 O 11.48 -8.70 O 10.27 -13.60 O 11.48 -15.70 O 22.06 -9.21 C:73 21.11 -12.14 C:79 9.06 -7.30 C:78 7.84 -15.00 C:72 10.27 -6.60 C:72 7.85 -13.60 C:75 9.06 -8.70 C:76 9.06 -15.70 C:78 11.48 -7.30 C:77 9.06 -12.90 C:89 12.69 -15.00 C:85 22.05 -7.80 C:105 10.27 -9.40 C:107 10.27 -15.00 C:71 23.20 -7.00 C:41 13.94 -15.73 C:86 20.69 -9.61 C:48 15.18 -15.00 C:48 17.64 -13.55 C:47 18.90 -12.86 C:56 20.23 -10.95 C:52 18.90 -11.41 C:27 15.18 -13.55 C:20 16.44 -12.86 54 1 -2 55 2 -1 57 3 -1 4 51 1 5 51 1 52 6 -1 52 7 -2 8 53 1 56 9 -2 10 20 1 11 21 1 38 12 -1 39 13 -1 40 14 -1 41 15 -2 42 16 -2 43 17 -2 44 18 -2 19 51 1 45 20 -1 58 21 -1 22 24 1 22 48 1 23 25 1 23 47 1 24 53 1 25 59 1 26 27 1 26 54 1 27 55 1 28 29 1 28 58 1 29 60 1 30 33 1 46 30 -1 31 38 1 31 56 1 59 32 -1 60 32 -1 49 33 -1 34 45 1 34 49 1 35 46 1 35 50 1 47 36 -1 50 36 -1 37 48 1 37 53 1 38 57 1 39 41 1 39 43 1 40 42 1 40 44 1 41 45 1 42 46 1 43 49 1 44 50 1 47 52 1 48 51 1 52 54 1 53 57 1 54 59 1 55 56 1 55 60 1 56 58 1 57 58 1 59 60 1', 'C42H70O15', 814.464, 'P', 'np02_147_2', 1035, '', '', '1', 1, NULL, NULL),
(6259, 'Beesioside J', '', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@@:5]47[CH2:6][CH2:7][C@@:8]3([H])[C@:14]2([CH3:30])[C@@H:15](O[C:15001]([CH3:15002])=O)[C@H:16](O[C:16001]([CH3:16002])=O)[C@@:17]([H])([C:20]1([CH3:21])[CH2:22][CH2:23][CH:24]([C:25]([CH3:26])([CH3:27])O)O1)[C@@:13]2([CH2:18]O)[CH2:12][CH2:11][C@:9]35[CH2:19][C@:10]45[CH2:1][CH2:2][C@H:3](O[C@@H:101]6O[CH2:105][C@@H:104](O)[C@H:103](O)[C@H:102]6O)[C@@:4]7([CH3:29])[CH3:28]', '[H][C@@]47CC[C@@]3([H])[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]([H])(C1(C)CCC(C(C)(C)O)O1)[C@@]2(CO)CC[C@]35C[C@]45CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@]7(C)C', '[H][C@@:47]47[CH2:21][CH2:27][C@@:47]3([H])[C@:49]2([CH3:14])[C@@H:85](O[C:172]([CH3:22])=O)[C@H:79](O[C:171]([CH3:21])=O)[C@@:54]([H])([C:84]1([CH3:27])[CH2:37][CH2:25][CH:84]([C:70]([CH3:28])([CH3:28])O)O1)[C@@:53]2([CH2:65]O)[CH2:30][CH2:26][C@:20]35[CH2:30][C@:26]45[CH2:32][CH2:30][C@H:88](O[C@@H:107]6O[CH2:67][C@@H:71](O)[C@H:78](O)[C@H:75]6O)[C@@:41]7([CH3:15])[CH3:26]', '54 60 H 15.19 -15.96 H 17.65 -12.27 H 20.09 -11.69 C:16002 24.58 -13.27 C:15002 20.04 -16.81 C:26 23.23 -5.41 C:27 24.49 -7.38 C:29 12.98 -16.79 C:28 14.76 -16.75 C:21 19.35 -9.16 C:30 18.94 -14.07 O 22.45 -14.42 O 18.38 -15.47 O 17.76 -9.01 O 6.61 -12.72 O 6.61 -15.53 O 9.04 -16.93 O 24.37 -6.00 C:18 18.94 -9.78 C:2 12.68 -13.37 C:23 20.74 -7.14 C:105 9.04 -12.72 C:22 19.90 -8.26 C:1 13.93 -12.68 C:6 16.45 -15.56 C:7 17.65 -14.82 C:12 17.65 -10.49 C:11 16.45 -11.23 C:19 15.21 -11.96 O 10.26 -13.42 O 22.53 -12.00 O 20.63 -14.45 O 11.47 -15.53 O 22.09 -9.01 C:16001 23.19 -13.23 C:15001 19.65 -15.47 C:104 7.83 -13.42 C:103 7.83 -14.82 C:102 9.04 -15.53 C:101 10.26 -14.82 C:3 12.68 -14.82 C:24 22.08 -7.60 C:16 21.12 -11.96 C:15 20.24 -13.10 C:25 23.23 -6.80 C:4 13.93 -15.56 C:20 20.70 -9.42 C:5 15.19 -14.82 C:8 17.65 -13.37 C:17 20.24 -10.77 C:14 18.91 -12.68 C:13 18.91 -11.23 C:10 15.19 -13.37 C:9 16.45 -12.68 48 1 -2 49 2 -1 50 3 -1 4 35 1 5 36 1 6 45 1 7 45 1 46 8 -1 46 9 -2 10 47 1 51 11 -2 12 35 2 13 36 2 14 19 1 37 15 -2 38 16 -1 39 17 -2 18 45 1 52 19 -1 20 24 1 20 41 1 21 23 1 21 42 1 22 30 1 22 37 1 23 47 1 24 53 1 25 26 1 25 48 1 26 49 1 27 28 1 27 52 1 28 54 1 53 29 -1 54 29 -1 30 40 1 31 35 1 43 31 -1 32 36 1 44 32 -2 40 33 -1 41 33 -1 34 42 1 34 47 1 37 38 1 38 39 1 39 40 1 41 46 1 42 45 1 43 44 1 43 50 1 44 51 1 46 48 1 47 50 1 48 53 1 49 51 1 49 54 1 50 52 1 51 52 1 53 54 1', '54 60 H 15.19 -15.96 H 17.65 -12.27 H 20.09 -11.69 C 24.58 -13.27 C 20.04 -16.81 C 23.23 -5.41 C 24.49 -7.38 C 12.98 -16.79 C 14.76 -16.75 C 19.35 -9.16 C 18.94 -14.07 O 22.45 -14.42 O 18.38 -15.47 O 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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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(6278, '29-Hydroxystelliferin B', '', 'Terpenoids', 'Triterpenoids', 'Isomalabaricanes', '[H][C@@:9]12[CH2:11][C:12](=O)[C:13](=[C:14]([CH3:18])[CH:15]=[CH:16][CH:17]=[C:20]([CH3:21])[C@@H:22](O)[CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[C@@:8]1([CH3:30])[CH2:7][CH2:6][C@@:5]3([H])[C@@:4]([CH3:28])([CH2:29]O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][CH2:1][C@:10]23[CH3:19]', '[H][C@@]12CC(=O)C(=C(C)C=CC=C(C)[C@@H](O)CC=C(C)C)[C@@]1(C)CC[C@@]3([H])[C@@](C)(CO)[C@@H](OC(C)=O)CC[C@]23C', '[H][C@@:50]12[CH2:37][C:203](=O)[C:147](=[C:141]([CH3:14])[CH:132]=[CH:131][CH:125]=[C:144]([CH3:13])[C@@H:76](O)[CH2:35][CH:121]=[C:136]([CH3:26])[CH3:18])[C@@:45]1([CH3:26])[CH2:40][CH2:20][C@@:47]3([H])[C@@:44]([CH3:24])([CH2:64]O)[C@@H:82](O[C:169]([CH3:20])=O)[CH2:25][CH2:33][C@:35]23[CH3:22]', '39 41 H 13.33 -9.65 H 12.09 -11.92 C:26 24.73 -16.37 C:27 25.22 -14.00 C:3002 5.97 -11.43 C:18 17.92 -7.56 C:21 21.57 -10.78 C:30 14.60 -8.02 C:28 11.68 -12.71 C:19 12.09 -7.90 O 7.18 -9.34 O 15.72 -5.87 O 8.55 -12.57 O 20.18 -14.21 C:16 18.84 -10.22 C:15 17.45 -9.95 C:17 19.28 -11.55 C:24 22.92 -14.77 C:29 9.92 -12.73 C:23 22.47 -13.44 C:2 9.62 -9.33 C:7 14.60 -10.76 C:1 10.86 -8.61 C:6 13.33 -11.48 C:11 13.63 -7.25 O 8.42 -11.45 C:25 24.29 -15.05 C:3001 7.19 -10.74 C:14 17.00 -8.62 C:20 20.65 -11.83 C:12 15.03 -7.08 C:13 15.62 -8.36 C:22 21.10 -13.16 C:3 9.62 -10.76 C:8 14.60 -9.33 C:9 13.33 -8.61 C:5 12.09 -10.76 C:4 10.86 -11.48 C:10 12.09 -9.33 36 1 -1 37 2 -2 3 27 1 4 27 1 5 28 1 6 29 1 7 30 1 35 8 -2 38 9 -2 39 10 -1 11 28 2 12 31 2 13 19 1 33 14 -2 15 16 2 15 17 1 16 29 1 17 30 2 18 20 1 18 27 2 38 19 -1 20 33 1 21 23 1 21 34 1 22 24 1 22 35 1 23 39 1 24 37 1 25 31 1 25 36 1 26 28 1 34 26 -1 29 32 2 30 33 1 31 32 1 32 35 1 34 38 1 35 36 1 36 39 1 37 38 1 37 39 1', '39 41 H 13.33 -9.65 H 12.09 -11.92 C 24.73 -16.37 C 25.22 -14.00 C 5.97 -11.43 C 17.92 -7.56 C 21.57 -10.78 C 14.60 -8.02 C 11.68 -12.71 C 12.09 -7.90 O 7.18 -9.34 O 15.72 -5.87 O 8.55 -12.57 O 20.18 -14.21 C 18.84 -10.22 C 17.45 -9.95 C 19.28 -11.55 C 22.92 -14.77 C 9.92 -12.73 C 22.47 -13.44 C 9.62 -9.33 C 14.60 -10.76 C 10.86 -8.61 C 13.33 -11.48 C 13.63 -7.25 O 8.42 -11.45 C 24.29 -15.05 C 7.19 -10.74 C 17.00 -8.62 C 20.65 -11.83 C 15.03 -7.08 C 15.62 -8.36 C 21.10 -13.16 C 9.62 -10.76 C 14.60 -9.33 C 13.33 -8.61 C 12.09 -10.76 C 10.86 -11.48 C 12.09 -9.33 36 1 -1 37 2 -2 3 27 1 4 27 1 5 28 1 6 29 1 7 30 1 35 8 -2 38 9 -2 39 10 -1 11 28 2 12 31 2 13 19 1 33 14 -2 15 16 2 15 17 1 16 29 1 17 30 2 18 20 1 18 27 2 38 19 -1 20 33 1 21 23 1 21 34 1 22 24 1 22 35 1 23 39 1 24 37 1 25 31 1 25 36 1 26 28 1 34 26 -1 29 32 2 30 33 1 31 32 1 32 35 1 34 38 1 35 36 1 36 39 1 37 38 1 37 39 1', '39 41 H 13.33 -9.65 H 12.09 -11.92 C:26 24.73 -16.37 C:18 25.22 -14.00 C:20 5.97 -11.43 C:14 17.92 -7.56 C:13 21.57 -10.78 C:26 14.60 -8.02 C:24 11.68 -12.71 C:22 12.09 -7.90 O 7.18 -9.34 O 15.72 -5.87 O 8.55 -12.57 O 20.18 -14.21 C:131 18.84 -10.22 C:132 17.45 -9.95 C:125 19.28 -11.55 C:121 22.92 -14.77 C:64 9.92 -12.73 C:35 22.47 -13.44 C:25 9.62 -9.33 C:40 14.60 -10.76 C:33 10.86 -8.61 C:20 13.33 -11.48 C:37 13.63 -7.25 O 8.42 -11.45 C:136 24.29 -15.05 C:169 7.19 -10.74 C:141 17.00 -8.62 C:144 20.65 -11.83 C:203 15.03 -7.08 C:147 15.62 -8.36 C:76 21.10 -13.16 C:82 9.62 -10.76 C:45 14.60 -9.33 C:50 13.33 -8.61 C:47 12.09 -10.76 C:44 10.86 -11.48 C:35 12.09 -9.33 36 1 -1 37 2 -2 3 27 1 4 27 1 5 28 1 6 29 1 7 30 1 35 8 -2 38 9 -2 39 10 -1 11 28 2 12 31 2 13 19 1 33 14 -2 15 16 2 15 17 1 16 29 1 17 30 2 18 20 1 18 27 2 38 19 -1 20 33 1 21 23 1 21 34 1 22 24 1 22 35 1 23 39 1 24 37 1 25 31 1 25 36 1 26 28 1 34 26 -1 29 32 2 30 33 1 31 32 1 32 35 1 34 38 1 35 36 1 36 39 1 37 38 1 37 39 1', 'C32H48O5', 512.355, 'B', 'np01_389_6', 1516, 'Disolvente=B', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(6279, 'geoditins A', '', 'Terpenoids', 'Triterpenoids', 'Isomalabaricanes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]1([CH3:30])[C:13](=[C:14]([CH3:18])[CH:15]=[CH:16][CH:17]=[C:20]([CH3:21])[C:22](=O)[CH:23]=[CH:24][C:25]([CH3:26])=O)[C:12](=O)[CH2:11][C@@:9]1([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@:4]3([CH3:28])[CH3:29]', '[H][C@@]23CC[C@]1(C)C(=C(C)C=CC=C(C)C(=O)C=CC(C)=O)C(=O)C[C@@]1([H])[C@@]2(C)CCC(=O)[C@]3(C)C', '[H][C@@:45]23[CH2:20][CH2:37][C@:45]1([CH3:25])[C:148](=[C:138]([CH3:16])[CH:140]=[CH:128][CH:141]=[C:141]([CH3:12])[C:191](=O)[CH:137]=[CH:134][C:198]([CH3:29])=O)[C:206](=O)[CH2:37][C@@:48]1([H])[C@@:35]2([CH3:24])[CH2:31][CH2:33][C:219](=O)[C@:47]3([CH3:29])[CH3:19]', '35 37 H 9.91 -14.52 H 11.14 -12.25 C:26 24.91 -7.00 C:21 19.86 -10.97 C:18 15.25 -12.55 C:28 9.49 -15.31 C:29 7.73 -15.33 C:30 12.41 -10.62 C:19 9.91 -10.50 O 24.45 -9.38 O 19.86 -7.29 O 13.52 -8.48 O 6.21 -14.04 C:16 17.10 -10.43 C:17 18.02 -9.38 C:15 15.72 -10.17 C:24 22.61 -7.79 C:23 21.69 -8.85 C:2 7.42 -11.93 C:6 11.14 -14.08 C:1 8.67 -11.21 C:7 12.41 -13.36 C:11 11.43 -9.86 C:25 23.99 -8.06 C:20 19.39 -9.65 C:14 14.80 -11.22 C:22 20.31 -8.59 C:12 12.83 -9.70 C:3 7.42 -13.36 C:13 13.42 -10.97 C:4 8.67 -14.08 C:5 9.91 -13.36 C:9 11.14 -11.21 C:8 12.41 -11.93 C:10 9.91 -11.93 32 1 -2 33 2 -1 3 24 1 4 25 1 5 26 1 31 6 -2 31 7 -1 34 8 -2 35 9 -1 10 24 2 11 27 2 12 28 2 13 29 2 14 15 1 14 16 2 15 25 2 16 26 1 17 18 2 17 24 1 18 27 1 19 21 1 19 29 1 20 22 1 20 32 1 21 35 1 22 34 1 23 28 1 23 33 1 25 27 1 26 30 2 28 30 1 29 31 1 30 34 1 31 32 1 32 35 1 33 34 1 33 35 1', '35 37 H 9.91 -14.52 H 11.14 -12.25 C 24.91 -7.00 C 19.86 -10.97 C 15.25 -12.55 C 9.49 -15.31 C 7.73 -15.33 C 12.41 -10.62 C 9.91 -10.50 O 24.45 -9.38 O 19.86 -7.29 O 13.52 -8.48 O 6.21 -14.04 C 17.10 -10.43 C 18.02 -9.38 C 15.72 -10.17 C 22.61 -7.79 C 21.69 -8.85 C 7.42 -11.93 C 11.14 -14.08 C 8.67 -11.21 C 12.41 -13.36 C 11.43 -9.86 C 23.99 -8.06 C 19.39 -9.65 C 14.80 -11.22 C 20.31 -8.59 C 12.83 -9.70 C 7.42 -13.36 C 13.42 -10.97 C 8.67 -14.08 C 9.91 -13.36 C 11.14 -11.21 C 12.41 -11.93 C 9.91 -11.93 32 1 -2 33 2 -1 3 24 1 4 25 1 5 26 1 31 6 -2 31 7 -1 34 8 -2 35 9 -1 10 24 2 11 27 2 12 28 2 13 29 2 14 15 1 14 16 2 15 25 2 16 26 1 17 18 2 17 24 1 18 27 1 19 21 1 19 29 1 20 22 1 20 32 1 21 35 1 22 34 1 23 28 1 23 33 1 25 27 1 26 30 2 28 30 1 29 31 1 30 34 1 31 32 1 32 35 1 33 34 1 33 35 1', '35 37 H 9.91 -14.52 H 11.14 -12.25 C:29 24.91 -7.00 C:12 19.86 -10.97 C:16 15.25 -12.55 C:29 9.49 -15.31 C:19 7.73 -15.33 C:25 12.41 -10.62 C:24 9.91 -10.50 O 24.45 -9.38 O 19.86 -7.29 O 13.52 -8.48 O 6.21 -14.04 C:128 17.10 -10.43 C:141 18.02 -9.38 C:140 15.72 -10.17 C:134 22.61 -7.79 C:137 21.69 -8.85 C:33 7.42 -11.93 C:20 11.14 -14.08 C:31 8.67 -11.21 C:37 12.41 -13.36 C:37 11.43 -9.86 C:198 23.99 -8.06 C:141 19.39 -9.65 C:138 14.80 -11.22 C:191 20.31 -8.59 C:206 12.83 -9.70 C:219 7.42 -13.36 C:148 13.42 -10.97 C:47 8.67 -14.08 C:45 9.91 -13.36 C:48 11.14 -11.21 C:45 12.41 -11.93 C:35 9.91 -11.93 32 1 -2 33 2 -1 3 24 1 4 25 1 5 26 1 31 6 -2 31 7 -1 34 8 -2 35 9 -1 10 24 2 11 27 2 12 28 2 13 29 2 14 15 1 14 16 2 15 25 2 16 26 1 17 18 2 17 24 1 18 27 1 19 21 1 19 29 1 20 22 1 20 32 1 21 35 1 22 34 1 23 28 1 23 33 1 25 27 1 26 30 2 28 30 1 29 31 1 30 34 1 31 32 1 32 35 1 33 34 1 33 35 1', 'C29H38O4', 450.324, 'M', 'np01_1489_1', 2567, '', '', '1', 1, NULL, NULL),
(6280, 'geoditins B', '', 'Terpenoids', 'Triterpenoids', 'Isomalabaricanes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]1([CH3:30])[C:13](=[C:14]([CH3:18])[CH:15]=[CH:16][CH:17]=[C:20]([CH3:21])[C:22](=O)[CH:23]=[CH:24][C:25]([CH3:26])=O)[C:12](=O)[CH2:11][C@@:9]1([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]3([CH3:28])[CH3:29]', '[H][C@@]23CC[C@]1(C)C(=C(C)C=CC=C(C)C(=O)C=CC(C)=O)C(=O)C[C@@]1([H])[C@@]2(C)CC[C@H](OC(C)=O)[C@]3(C)C', '[H][C@@:47]23[CH2:18][CH2:38][C@:45]1([CH3:25])[C:149](=[C:138]([CH3:16])[CH:141]=[CH:129][CH:142]=[C:140]([CH3:12])[C:191](=O)[CH:137]=[CH:134][C:198]([CH3:29])=O)[C:207](=O)[CH2:37][C@@:50]1([H])[C@@:36]2([CH3:23])[CH2:33][CH2:25][C@H:81](O[C:171]([CH3:21])=O)[C@:38]3([CH3:29])[CH3:17]', '38 40 H 11.10 -14.47 H 12.33 -12.20 C:26 26.11 -6.95 C:3002 4.97 -14.00 C:21 21.06 -10.92 C:18 16.45 -12.50 C:28 10.68 -15.27 C:29 8.91 -15.29 C:30 13.61 -10.57 C:19 11.10 -10.45 O 25.65 -9.33 O 6.18 -11.90 O 21.06 -7.24 O 14.73 -8.44 C:16 18.30 -10.38 C:24 23.81 -7.74 C:17 19.22 -9.33 C:15 16.92 -10.12 C:23 22.89 -8.80 C:2 8.60 -11.88 C:1 9.85 -11.16 C:6 12.33 -14.03 C:7 13.61 -13.31 C:11 12.62 -9.81 O 7.39 -13.99 C:25 25.19 -8.01 C:3001 6.18 -13.30 C:20 20.59 -9.60 C:14 16.00 -11.17 C:22 21.51 -8.54 C:12 14.03 -9.65 C:13 14.62 -10.92 C:3 8.60 -13.31 C:4 9.85 -14.03 C:5 11.10 -13.31 C:9 12.33 -11.16 C:8 13.61 -11.88 C:10 11.10 -11.88 35 1 -2 36 2 -1 3 26 1 4 27 1 5 28 1 6 29 1 34 7 -2 34 8 -1 37 9 -2 38 10 -1 11 26 2 12 27 2 13 30 2 14 31 2 15 17 1 15 18 2 16 19 2 16 26 1 17 28 2 18 29 1 19 30 1 20 21 1 20 33 1 21 38 1 22 23 1 22 35 1 23 37 1 24 31 1 24 36 1 25 27 1 33 25 -1 28 30 1 29 32 2 31 32 1 32 37 1 33 34 1 34 35 1 35 38 1 36 37 1 36 38 1', '38 40 H 11.10 -14.47 H 12.33 -12.20 C 26.11 -6.95 C 4.97 -14.00 C 21.06 -10.92 C 16.45 -12.50 C 10.68 -15.27 C 8.91 -15.29 C 13.61 -10.57 C 11.10 -10.45 O 25.65 -9.33 O 6.18 -11.90 O 21.06 -7.24 O 14.73 -8.44 C 18.30 -10.38 C 23.81 -7.74 C 19.22 -9.33 C 16.92 -10.12 C 22.89 -8.80 C 8.60 -11.88 C 9.85 -11.16 C 12.33 -14.03 C 13.61 -13.31 C 12.62 -9.81 O 7.39 -13.99 C 25.19 -8.01 C 6.18 -13.30 C 20.59 -9.60 C 16.00 -11.17 C 21.51 -8.54 C 14.03 -9.65 C 14.62 -10.92 C 8.60 -13.31 C 9.85 -14.03 C 11.10 -13.31 C 12.33 -11.16 C 13.61 -11.88 C 11.10 -11.88 35 1 -2 36 2 -1 3 26 1 4 27 1 5 28 1 6 29 1 34 7 -2 34 8 -1 37 9 -2 38 10 -1 11 26 2 12 27 2 13 30 2 14 31 2 15 17 1 15 18 2 16 19 2 16 26 1 17 28 2 18 29 1 19 30 1 20 21 1 20 33 1 21 38 1 22 23 1 22 35 1 23 37 1 24 31 1 24 36 1 25 27 1 33 25 -1 28 30 1 29 32 2 31 32 1 32 37 1 33 34 1 34 35 1 35 38 1 36 37 1 36 38 1', '38 40 H 11.10 -14.47 H 12.33 -12.20 C:29 26.11 -6.95 C:21 4.97 -14.00 C:12 21.06 -10.92 C:16 16.45 -12.50 C:29 10.68 -15.27 C:17 8.91 -15.29 C:25 13.61 -10.57 C:23 11.10 -10.45 O 25.65 -9.33 O 6.18 -11.90 O 21.06 -7.24 O 14.73 -8.44 C:129 18.30 -10.38 C:134 23.81 -7.74 C:142 19.22 -9.33 C:141 16.92 -10.12 C:137 22.89 -8.80 C:25 8.60 -11.88 C:33 9.85 -11.16 C:18 12.33 -14.03 C:38 13.61 -13.31 C:37 12.62 -9.81 O 7.39 -13.99 C:198 25.19 -8.01 C:171 6.18 -13.30 C:140 20.59 -9.60 C:138 16.00 -11.17 C:191 21.51 -8.54 C:207 14.03 -9.65 C:149 14.62 -10.92 C:81 8.60 -13.31 C:38 9.85 -14.03 C:47 11.10 -13.31 C:50 12.33 -11.16 C:45 13.61 -11.88 C:36 11.10 -11.88 35 1 -2 36 2 -1 3 26 1 4 27 1 5 28 1 6 29 1 34 7 -2 34 8 -1 37 9 -2 38 10 -1 11 26 2 12 27 2 13 30 2 14 31 2 15 17 1 15 18 2 16 19 2 16 26 1 17 28 2 18 29 1 19 30 1 20 21 1 20 33 1 21 38 1 22 23 1 22 35 1 23 37 1 24 31 1 24 36 1 25 27 1 33 25 -1 28 30 1 29 32 2 31 32 1 32 37 1 33 34 1 34 35 1 35 38 1 36 37 1 36 38 1', 'C31H42O5', 494.345, 'M', 'np01_1489_2', 2567, '', '', '1', 1, NULL, NULL),
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(6291, '22,23-Dihydrostellettin B', '', 'Terpenoids', 'Triterpenoids', 'Isomalabaricanes', '[H][C@@:22]4([C:20]([CH3:21])=[CH:17][CH:16]=[CH:15][C:14]([CH3:18])=[C:13]1[C:12](=O)[CH2:11][C@:9]3([H])[C@:8]1([CH3:30])[CH2:7][CH2:6][C@@:5]2([H])[C@@:4]([CH3:28])([CH3:29])[C:3](=O)[CH2:2][CH2:1][C@@:10]23[CH3:19])[CH2:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O4', '[H][C@@]4(C(C)=CC=CC(C)=C1C(=O)C[C@]3([H])[C@]1(C)CC[C@@]2([H])[C@@](C)(C)C(=O)CC[C@@]23C)CC=C(C)C(=O)O4', '[H][C@@:83]4([C:137]([CH3:13])=[CH:129][CH:129]=[CH:134][C:142]([CH3:16])=[C:146]1[C:206](=O)[CH2:37][C@:48]3([H])[C@:45]1([CH3:25])[CH2:37][CH2:20][C@@:45]2([H])[C@@:47]([CH3:29])([CH3:19])[C:219](=O)[CH2:34][CH2:31][C@@:35]23[CH3:24])[CH2:29][CH:139]=[C:129]([CH3:17])[C:166](=O)O4', '37 40 H 20.29 -9.27 H 10.76 -15.57 H 12.00 -13.29 C:18 16.15 -13.59 C:27 24.04 -6.42 C:21 20.79 -11.99 C:28 10.33 -16.37 C:29 8.56 -16.39 C:30 13.28 -11.65 C:19 10.76 -11.53 O 14.41 -9.51 O 7.06 -15.10 O 21.32 -5.86 C:16 18.01 -11.46 C:15 16.62 -11.19 C:17 18.94 -10.41 C:24 23.57 -8.81 C:23 22.64 -9.88 C:2 8.26 -12.97 C:1 9.51 -12.24 C:6 12.00 -15.13 C:7 13.28 -14.40 C:11 12.30 -10.88 O 20.76 -8.30 C:14 15.69 -12.25 C:25 23.12 -7.47 C:20 20.32 -10.66 C:12 13.71 -10.71 C:3 8.26 -14.40 C:26 21.73 -7.20 C:13 14.31 -11.99 C:4 9.51 -15.13 C:22 21.25 -9.62 C:5 10.76 -14.40 C:9 12.00 -12.24 C:8 13.28 -12.97 C:10 10.76 -12.97 33 1 -2 34 2 -2 35 3 -1 4 25 1 5 26 1 6 27 1 32 7 -2 32 8 -1 36 9 -2 37 10 -1 11 28 2 12 29 2 13 30 2 14 15 2 14 16 1 15 25 1 16 27 2 17 18 1 17 26 2 18 33 1 19 20 1 19 29 1 20 37 1 21 22 1 21 34 1 22 36 1 23 28 1 23 35 1 24 30 1 24 33 1 25 31 2 26 30 1 27 33 1 28 31 1 29 32 1 31 36 1 32 34 1 34 37 1 35 36 1 35 37 1', '37 40 H 20.29 -9.27 H 10.76 -15.57 H 12.00 -13.29 C 16.15 -13.59 C 24.04 -6.42 C 20.79 -11.99 C 10.33 -16.37 C 8.56 -16.39 C 13.28 -11.65 C 10.76 -11.53 O 14.41 -9.51 O 7.06 -15.10 O 21.32 -5.86 C 18.01 -11.46 C 16.62 -11.19 C 18.94 -10.41 C 23.57 -8.81 C 22.64 -9.88 C 8.26 -12.97 C 9.51 -12.24 C 12.00 -15.13 C 13.28 -14.40 C 12.30 -10.88 O 20.76 -8.30 C 15.69 -12.25 C 23.12 -7.47 C 20.32 -10.66 C 13.71 -10.71 C 8.26 -14.40 C 21.73 -7.20 C 14.31 -11.99 C 9.51 -15.13 C 21.25 -9.62 C 10.76 -14.40 C 12.00 -12.24 C 13.28 -12.97 C 10.76 -12.97 33 1 -2 34 2 -2 35 3 -1 4 25 1 5 26 1 6 27 1 32 7 -2 32 8 -1 36 9 -2 37 10 -1 11 28 2 12 29 2 13 30 2 14 15 2 14 16 1 15 25 1 16 27 2 17 18 1 17 26 2 18 33 1 19 20 1 19 29 1 20 37 1 21 22 1 21 34 1 22 36 1 23 28 1 23 35 1 24 30 1 24 33 1 25 31 2 26 30 1 27 33 1 28 31 1 29 32 1 31 36 1 32 34 1 34 37 1 35 36 1 35 37 1', '37 40 H 20.29 -9.27 H 10.76 -15.57 H 12.00 -13.29 C:16 16.15 -13.59 C:17 24.04 -6.42 C:13 20.79 -11.99 C:29 10.33 -16.37 C:19 8.56 -16.39 C:25 13.28 -11.65 C:24 10.76 -11.53 O 14.41 -9.51 O 7.06 -15.10 O 21.32 -5.86 C:129 18.01 -11.46 C:134 16.62 -11.19 C:129 18.94 -10.41 C:139 23.57 -8.81 C:29 22.64 -9.88 C:34 8.26 -12.97 C:31 9.51 -12.24 C:20 12.00 -15.13 C:37 13.28 -14.40 C:37 12.30 -10.88 O 20.76 -8.30 C:142 15.69 -12.25 C:129 23.12 -7.47 C:137 20.32 -10.66 C:206 13.71 -10.71 C:219 8.26 -14.40 C:166 21.73 -7.20 C:146 14.31 -11.99 C:47 9.51 -15.13 C:83 21.25 -9.62 C:45 10.76 -14.40 C:48 12.00 -12.24 C:45 13.28 -12.97 C:35 10.76 -12.97 33 1 -2 34 2 -2 35 3 -1 4 25 1 5 26 1 6 27 1 32 7 -2 32 8 -1 36 9 -2 37 10 -1 11 28 2 12 29 2 13 30 2 14 15 2 14 16 1 15 25 1 16 27 2 17 18 1 17 26 2 18 33 1 19 20 1 19 29 1 20 37 1 21 22 1 21 34 1 22 36 1 23 28 1 23 35 1 24 30 1 24 33 1 25 31 2 26 30 1 27 33 1 28 31 1 29 32 1 31 36 1 32 34 1 34 37 1 35 36 1 35 37 1', 'C30H40O4', 464.342, 'C', 'np04_2033_4', 1372, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(6292, 'Rhabdastrellic acid A Methyl ester', '', 'Terpenoids', 'Triterpenoids', 'Isomalabaricanes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]1([CH3:30])[C:13](=[C:14]([CH3:18])[CH:15]=[CH:16][CH:17]=[C:20]([CH3:21])[CH:22]=[CH:23][CH:24]=[C:25]([CH3:27])[C:26](=O)O[CH3:26001])[C:12](=O)[CH2:11][C@@:9]1([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C:3](=O)[C@@:4]3([CH3:29])[CH3:28]', '[H][C@@]23CC[C@]1(C)C(=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC)C(=O)C[C@@]1([H])[C@@]2(C)CCC(=O)[C@@]3(C)C', '[H][C@@:48]23[CH2:31][CH2:37][C@:45]1([CH3:30])[C:147](=[C:141]([CH3:15])[CH:135]=[CH:132][CH:135]=[C:139]([CH3:13])[CH:144]=[CH:125][CH:139]=[C:128]([CH3:13])[C:169](=O)O[CH3:52])[C:206](=O)[CH2:33][C@@:46]1([H])[C@@:35]2([CH3:23])[CH2:34][CH2:39][C:216](=O)[C@@:47]3([CH3:20])[CH3:26]', '37 39 H 10.19 -11.13 H 11.43 -8.86 C:26001 24.65 -17.19 C:21 19.67 -9.99 C:27 23.32 -13.21 C:18 16.01 -6.77 C:29 8.02 -11.94 C:28 9.78 -11.92 C:30 12.69 -7.23 C:19 10.19 -7.11 O 13.81 -5.09 O 6.52 -10.66 O 21.90 -16.63 C:23 20.57 -12.65 C:16 16.94 -9.43 C:22 19.20 -12.37 C:17 17.38 -10.76 C:24 21.02 -13.98 C:15 15.54 -9.16 C:2 7.72 -8.54 C:1 8.96 -7.82 C:6 11.43 -10.69 C:7 12.69 -9.97 C:11 11.72 -6.46 O 24.21 -15.86 C:20 18.75 -11.04 C:25 22.39 -14.26 C:14 15.09 -7.83 C:12 13.12 -6.29 C:3 7.72 -9.97 C:26 22.83 -15.58 C:13 13.71 -7.57 C:4 8.96 -10.69 C:5 10.19 -9.97 C:9 11.43 -7.82 C:8 12.69 -8.54 C:10 10.19 -8.54 34 1 -2 35 2 -1 3 25 1 4 26 1 5 27 1 6 28 1 33 7 -1 33 8 -2 36 9 -2 37 10 -1 11 29 2 12 30 2 13 31 2 14 16 2 14 18 1 15 17 1 15 19 2 16 26 1 17 26 2 18 27 2 19 28 1 20 21 1 20 30 1 21 37 1 22 23 1 22 34 1 23 36 1 24 29 1 24 35 1 25 31 1 27 31 1 28 32 2 29 32 1 30 33 1 32 36 1 33 34 1 34 37 1 35 36 1 35 37 1', '37 39 H 10.19 -11.13 H 11.43 -8.86 C 24.65 -17.19 C 19.67 -9.99 C 23.32 -13.21 C 16.01 -6.77 C 8.02 -11.94 C 9.78 -11.92 C 12.69 -7.23 C 10.19 -7.11 O 13.81 -5.09 O 6.52 -10.66 O 21.90 -16.63 C 20.57 -12.65 C 16.94 -9.43 C 19.20 -12.37 C 17.38 -10.76 C 21.02 -13.98 C 15.54 -9.16 C 7.72 -8.54 C 8.96 -7.82 C 11.43 -10.69 C 12.69 -9.97 C 11.72 -6.46 O 24.21 -15.86 C 18.75 -11.04 C 22.39 -14.26 C 15.09 -7.83 C 13.12 -6.29 C 7.72 -9.97 C 22.83 -15.58 C 13.71 -7.57 C 8.96 -10.69 C 10.19 -9.97 C 11.43 -7.82 C 12.69 -8.54 C 10.19 -8.54 34 1 -2 35 2 -1 3 25 1 4 26 1 5 27 1 6 28 1 33 7 -1 33 8 -2 36 9 -2 37 10 -1 11 29 2 12 30 2 13 31 2 14 16 2 14 18 1 15 17 1 15 19 2 16 26 1 17 26 2 18 27 2 19 28 1 20 21 1 20 30 1 21 37 1 22 23 1 22 34 1 23 36 1 24 29 1 24 35 1 25 31 1 27 31 1 28 32 2 29 32 1 30 33 1 32 36 1 33 34 1 34 37 1 35 36 1 35 37 1', '37 39 H 10.19 -11.13 H 11.43 -8.86 C:52 24.65 -17.19 C:13 19.67 -9.99 C:13 23.32 -13.21 C:15 16.01 -6.77 C:20 8.02 -11.94 C:26 9.78 -11.92 C:30 12.69 -7.23 C:23 10.19 -7.11 O 13.81 -5.09 O 6.52 -10.66 O 21.90 -16.63 C:125 20.57 -12.65 C:132 16.94 -9.43 C:144 19.20 -12.37 C:135 17.38 -10.76 C:139 21.02 -13.98 C:135 15.54 -9.16 C:39 7.72 -8.54 C:34 8.96 -7.82 C:31 11.43 -10.69 C:37 12.69 -9.97 C:33 11.72 -6.46 O 24.21 -15.86 C:139 18.75 -11.04 C:128 22.39 -14.26 C:141 15.09 -7.83 C:206 13.12 -6.29 C:216 7.72 -9.97 C:169 22.83 -15.58 C:147 13.71 -7.57 C:47 8.96 -10.69 C:48 10.19 -9.97 C:46 11.43 -7.82 C:45 12.69 -8.54 C:35 10.19 -8.54 34 1 -2 35 2 -1 3 25 1 4 26 1 5 27 1 6 28 1 33 7 -1 33 8 -2 36 9 -2 37 10 -1 11 29 2 12 30 2 13 31 2 14 16 2 14 18 1 15 17 1 15 19 2 16 26 1 17 26 2 18 27 2 19 28 1 20 21 1 20 30 1 21 37 1 22 23 1 22 34 1 23 36 1 24 29 1 24 35 1 25 31 1 27 31 1 28 32 2 29 32 1 30 33 1 32 36 1 33 34 1 34 37 1 35 36 1 35 37 1', 'C31H42O4', 478.345, 'B', 'np04_2033_13', 1372, '', '', '1', 1, NULL, NULL),
(6293, '3-epi-29-Acetoxystelliferin E', '', 'Terpenoids', 'Triterpenoids', 'Isomalabaricanes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]1([CH3:30])[C:13](=[C:14]([CH3:18])[CH:15]=[CH:16][CH:17]=[C:20]([CH3:21])[C@H:22]([CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])O[C:22001]([CH3:22002])=O)[C:12](=O)[CH2:11][C@@:9]1([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@:4]3([CH3:28])[CH2:29]O[C:29001]([CH3:29002])=O', '[H][C@@]23CC[C@]1(C)C(=C(C)C=CC=C(C)[C@H](CC=C(C)C)OC(C)=O)C(=O)C[C@@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)[C@]3(C)COC(C)=O', '[H][C@@:42]23[CH2:19][CH2:39][C@:45]1([CH3:25])[C:146](=[C:143]([CH3:16])[CH:133]=[CH:128][CH:130]=[C:139]([CH3:14])[C@H:79]([CH2:32][CH:119]=[C:135]([CH3:26])[CH3:18])O[C:170]([CH3:21])=O)[C:206](=O)[CH2:37][C@@:50]1([H])[C@@:36]2([CH3:23])[CH2:29][CH2:25][C@@H:74](O[C:170]([CH3:22])=O)[C@:42]3([CH3:22])[CH2:67]O[C:172]([CH3:21])=O', '45 47 H 11.09 -14.43 H 12.33 -12.16 C:26 26.12 -6.89 C:27 25.67 -9.28 C:29002 5.33 -16.04 C:22002 21.52 -4.81 C:3002 4.99 -13.95 C:18 16.45 -12.46 C:21 21.07 -10.87 C:30 13.60 -10.53 C:28 10.67 -15.23 C:19 11.09 -10.41 O 7.27 -17.48 O 23.36 -6.38 O 6.20 -11.85 O 14.72 -8.38 C:16 18.30 -10.34 C:15 16.92 -10.07 C:17 19.23 -9.28 C:24 23.83 -7.69 C:23 22.90 -8.75 C:2 8.60 -11.84 C:1 9.85 -11.12 C:6 12.33 -13.99 C:7 13.60 -13.27 C:29 8.91 -15.25 C:11 12.63 -9.76 O 7.53 -15.09 O 21.07 -7.18 O 7.40 -13.96 C:25 25.21 -7.95 C:29001 6.71 -16.20 C:22001 21.98 -6.13 C:3001 6.20 -13.25 C:14 16.00 -11.13 C:20 20.60 -9.54 C:12 14.03 -9.59 C:13 14.62 -10.87 C:22 21.52 -8.49 C:3 8.60 -13.27 C:5 11.09 -13.27 C:9 12.33 -11.12 C:8 13.60 -11.84 C:4 9.85 -13.99 C:10 11.09 -11.84 41 1 -2 42 2 -1 3 31 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 9 36 1 43 10 -2 44 11 -2 45 12 -1 13 32 2 14 33 2 15 34 2 16 37 2 17 18 2 17 19 1 18 35 1 19 36 2 20 21 1 20 31 2 21 39 1 22 23 1 22 40 1 23 45 1 24 25 1 24 41 1 25 43 1 26 28 1 44 26 -1 27 37 1 27 42 1 28 32 1 29 33 1 39 29 -1 30 34 1 40 30 -2 35 38 2 36 39 1 37 38 1 38 43 1 40 44 1 41 44 1 41 45 1 42 43 1 42 45 1', '45 47 H 11.09 -14.43 H 12.33 -12.16 C 26.12 -6.89 C 25.67 -9.28 C 5.33 -16.04 C 21.52 -4.81 C 4.99 -13.95 C 16.45 -12.46 C 21.07 -10.87 C 13.60 -10.53 C 10.67 -15.23 C 11.09 -10.41 O 7.27 -17.48 O 23.36 -6.38 O 6.20 -11.85 O 14.72 -8.38 C 18.30 -10.34 C 16.92 -10.07 C 19.23 -9.28 C 23.83 -7.69 C 22.90 -8.75 C 8.60 -11.84 C 9.85 -11.12 C 12.33 -13.99 C 13.60 -13.27 C 8.91 -15.25 C 12.63 -9.76 O 7.53 -15.09 O 21.07 -7.18 O 7.40 -13.96 C 25.21 -7.95 C 6.71 -16.20 C 21.98 -6.13 C 6.20 -13.25 C 16.00 -11.13 C 20.60 -9.54 C 14.03 -9.59 C 14.62 -10.87 C 21.52 -8.49 C 8.60 -13.27 C 11.09 -13.27 C 12.33 -11.12 C 13.60 -11.84 C 9.85 -13.99 C 11.09 -11.84 41 1 -2 42 2 -1 3 31 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 9 36 1 43 10 -2 44 11 -2 45 12 -1 13 32 2 14 33 2 15 34 2 16 37 2 17 18 2 17 19 1 18 35 1 19 36 2 20 21 1 20 31 2 21 39 1 22 23 1 22 40 1 23 45 1 24 25 1 24 41 1 25 43 1 26 28 1 44 26 -1 27 37 1 27 42 1 28 32 1 29 33 1 39 29 -1 30 34 1 40 30 -2 35 38 2 36 39 1 37 38 1 38 43 1 40 44 1 41 44 1 41 45 1 42 43 1 42 45 1', '45 47 H 11.09 -14.43 H 12.33 -12.16 C:26 26.12 -6.89 C:18 25.67 -9.28 C:21 5.33 -16.04 C:21 21.52 -4.81 C:22 4.99 -13.95 C:16 16.45 -12.46 C:14 21.07 -10.87 C:25 13.60 -10.53 C:22 10.67 -15.23 C:23 11.09 -10.41 O 7.27 -17.48 O 23.36 -6.38 O 6.20 -11.85 O 14.72 -8.38 C:128 18.30 -10.34 C:133 16.92 -10.07 C:130 19.23 -9.28 C:119 23.83 -7.69 C:32 22.90 -8.75 C:25 8.60 -11.84 C:29 9.85 -11.12 C:19 12.33 -13.99 C:39 13.60 -13.27 C:67 8.91 -15.25 C:37 12.63 -9.76 O 7.53 -15.09 O 21.07 -7.18 O 7.40 -13.96 C:135 25.21 -7.95 C:172 6.71 -16.20 C:170 21.98 -6.13 C:170 6.20 -13.25 C:143 16.00 -11.13 C:139 20.60 -9.54 C:206 14.03 -9.59 C:146 14.62 -10.87 C:79 21.52 -8.49 C:74 8.60 -13.27 C:42 11.09 -13.27 C:50 12.33 -11.12 C:45 13.60 -11.84 C:42 9.85 -13.99 C:36 11.09 -11.84 41 1 -2 42 2 -1 3 31 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 9 36 1 43 10 -2 44 11 -2 45 12 -1 13 32 2 14 33 2 15 34 2 16 37 2 17 18 2 17 19 1 18 35 1 19 36 2 20 21 1 20 31 2 21 39 1 22 23 1 22 40 1 23 45 1 24 25 1 24 41 1 25 43 1 26 28 1 44 26 -1 27 37 1 27 42 1 28 32 1 29 33 1 39 29 -1 30 34 1 40 30 -2 35 38 2 36 39 1 37 38 1 38 43 1 40 44 1 41 44 1 41 45 1 42 43 1 42 45 1', 'C36H52O7', 596.397, 'C', 'np06_373_2', 411, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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