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
(304, 'Formosanoxide', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]12[CH2:6][C@H:7]4O[CH2:20][C@@:10]1([CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18])[c:9]3[cH:11][c:12](O)[c:13]([CH:15]([CH3:17])[CH3:16])[cH:14][c:8]34', '[H][C@@]12C[C@H]4OC[C@@]1(CCC[C@@]2(C)C)c3cc(O)c(C(C)C)cc34', '[H][C@@:43]12[CH2:30][C@H:70]4O[CH2:68][C@@:38]1([CH2:29][CH2:19][CH2:41][C@@:34]2([CH3:21])[CH3:32])[c:145]3[cH:107][c:152](O)[c:131]([CH:27]([CH3:23])[CH3:23])[cH:121][c:132]34', '23 26 H 13.76 -13.92 C:16 18.56 -7.52 C:17 19.75 -9.57 C:18 13.51 -14.76 C:19 11.57 -14.66 O 16.16 -7.56 C:11 14.96 -9.57 C:14 17.36 -10.97 C:2 11.38 -11.67 C:3 11.38 -13.05 C:1 12.57 -10.97 C:20 13.76 -10.27 C:6 14.96 -13.72 O 14.99 -12.36 C:12 16.16 -8.92 C:13 17.36 -9.57 C:8 16.16 -11.67 C:9 14.96 -10.97 C:15 18.56 -8.92 C:7 16.16 -13.05 C:4 12.57 -13.72 C:5 13.76 -13.05 C:10 13.76 -11.67 22 1 -2 2 19 1 3 19 1 21 4 -2 21 5 -1 6 15 1 7 15 2 7 18 1 8 16 2 8 17 1 9 10 1 9 11 1 10 21 1 11 23 1 12 14 1 23 12 -1 13 20 1 13 22 1 20 14 -1 15 16 1 16 19 1 17 18 2 17 20 1 18 23 1 21 22 1 22 23 1', '23 26 H 13.76 -13.92 C 18.56 -7.52 C 19.75 -9.57 C 13.51 -14.76 C 11.57 -14.66 O 16.16 -7.56 C 14.96 -9.57 C 17.36 -10.97 C 11.38 -11.67 C 11.38 -13.05 C 12.57 -10.97 C 13.76 -10.27 C 14.96 -13.72 O 14.99 -12.36 C 16.16 -8.92 C 17.36 -9.57 C 16.16 -11.67 C 14.96 -10.97 C 18.56 -8.92 C 16.16 -13.05 C 12.57 -13.72 C 13.76 -13.05 C 13.76 -11.67 22 1 -2 2 19 1 3 19 1 21 4 -2 21 5 -1 6 15 1 7 15 2 7 18 1 8 16 2 8 17 1 9 10 1 9 11 1 10 21 1 11 23 1 12 14 1 23 12 -1 13 20 1 13 22 1 20 14 -1 15 16 1 16 19 1 17 18 2 17 20 1 18 23 1 21 22 1 22 23 1', '23 26 H 13.76 -13.92 C:23 18.56 -7.52 C:23 19.75 -9.57 C:32 13.51 -14.76 C:21 11.57 -14.66 O 16.16 -7.56 C:107 14.96 -9.57 C:121 17.36 -10.97 C:19 11.38 -11.67 C:41 11.38 -13.05 C:29 12.57 -10.97 C:68 13.76 -10.27 C:30 14.96 -13.72 O 14.99 -12.36 C:152 16.16 -8.92 C:131 17.36 -9.57 C:132 16.16 -11.67 C:145 14.96 -10.97 C:27 18.56 -8.92 C:70 16.16 -13.05 C:34 12.57 -13.72 C:43 13.76 -13.05 C:38 13.76 -11.67 22 1 -2 2 19 1 3 19 1 21 4 -2 21 5 -1 6 15 1 7 15 2 7 18 1 8 16 2 8 17 1 9 10 1 9 11 1 10 21 1 11 23 1 12 14 1 23 12 -1 13 20 1 13 22 1 20 14 -1 15 16 1 16 19 1 17 18 2 17 20 1 18 23 1 21 22 1 22 23 1', 'C20H28O2', 300.221, 'C', 'np95_1592_1', 916, '', '', '1', 1, NULL, NULL),
(305, 'Formosanolide ', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]12[CH2:6][C@H:7]4O[C:20](=O)[C@@:10]1([CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18])[c:9]3[cH:11][c:12](O[CH3:12001])[c:13]([CH:15]([CH3:17])[CH3:16])[cH:14][c:8]34', '[H][C@@]12C[C@H]4OC(=O)[C@@]1(CCC[C@@]2(C)C)c3cc(OC)c(C(C)C)cc34', '[H][C@@:45]12[CH2:30][C@H:77]4O[C:176](=O)[C@@:47]1([CH2:27][CH2:19][CH2:41][C@@:34]2([CH3:19])[CH3:32])[c:139]3[cH:105][c:157](O[CH3:56])[c:136]([CH:27]([CH3:23])[CH3:23])[cH:121][c:130]34', '25 28 H 13.76 -14.25 C:12001 14.96 -7.18 C:16 18.54 -7.83 C:17 19.74 -9.88 C:18 13.50 -15.09 C:19 11.54 -14.99 O 13.31 -9.30 C:14 17.34 -11.28 C:11 14.95 -9.88 C:2 11.36 -11.99 C:3 11.36 -13.37 C:1 12.55 -11.28 C:6 14.95 -14.05 O 16.14 -7.86 O 14.97 -12.68 C:20 13.76 -10.58 C:12 16.14 -9.23 C:13 17.34 -9.88 C:8 16.14 -11.99 C:9 14.95 -11.28 C:15 18.54 -9.23 C:7 16.14 -13.37 C:4 12.55 -14.05 C:5 13.76 -13.37 C:10 13.76 -11.99 24 1 -2 2 14 1 3 21 1 4 21 1 23 5 -2 23 6 -1 7 16 2 8 18 2 8 19 1 9 17 2 9 20 1 10 11 1 10 12 1 11 23 1 12 25 1 13 22 1 13 24 1 14 17 1 15 16 1 22 15 -1 25 16 -1 17 18 1 18 21 1 19 20 2 19 22 1 20 25 1 23 24 1 24 25 1', '25 28 H 13.76 -14.25 C 14.96 -7.18 C 18.54 -7.83 C 19.74 -9.88 C 13.50 -15.09 C 11.54 -14.99 O 13.31 -9.30 C 17.34 -11.28 C 14.95 -9.88 C 11.36 -11.99 C 11.36 -13.37 C 12.55 -11.28 C 14.95 -14.05 O 16.14 -7.86 O 14.97 -12.68 C 13.76 -10.58 C 16.14 -9.23 C 17.34 -9.88 C 16.14 -11.99 C 14.95 -11.28 C 18.54 -9.23 C 16.14 -13.37 C 12.55 -14.05 C 13.76 -13.37 C 13.76 -11.99 24 1 -2 2 14 1 3 21 1 4 21 1 23 5 -2 23 6 -1 7 16 2 8 18 2 8 19 1 9 17 2 9 20 1 10 11 1 10 12 1 11 23 1 12 25 1 13 22 1 13 24 1 14 17 1 15 16 1 22 15 -1 25 16 -1 17 18 1 18 21 1 19 20 2 19 22 1 20 25 1 23 24 1 24 25 1', '25 28 H 13.76 -14.25 C:56 14.96 -7.18 C:23 18.54 -7.83 C:23 19.74 -9.88 C:32 13.50 -15.09 C:19 11.54 -14.99 O 13.31 -9.30 C:121 17.34 -11.28 C:105 14.95 -9.88 C:19 11.36 -11.99 C:41 11.36 -13.37 C:27 12.55 -11.28 C:30 14.95 -14.05 O 16.14 -7.86 O 14.97 -12.68 C:176 13.76 -10.58 C:157 16.14 -9.23 C:136 17.34 -9.88 C:130 16.14 -11.99 C:139 14.95 -11.28 C:27 18.54 -9.23 C:77 16.14 -13.37 C:34 12.55 -14.05 C:45 13.76 -13.37 C:47 13.76 -11.99 24 1 -2 2 14 1 3 21 1 4 21 1 23 5 -2 23 6 -1 7 16 2 8 18 2 8 19 1 9 17 2 9 20 1 10 11 1 10 12 1 11 23 1 12 25 1 13 22 1 13 24 1 14 17 1 15 16 1 22 15 -1 25 16 -1 17 18 1 18 21 1 19 20 2 19 22 1 20 25 1 23 24 1 24 25 1', 'C21H28O3', 328.231, 'C', 'np95_1592_2', 916, '', '', '1', 1, NULL, NULL),
(306, 'Formosanone', '', 'Terpenoids', 'Diterpenoids', 'Abeo-abietanes', '[CH3:16][CH:15]([CH3:17])[c:13]2[cH:14][c:8]([CH2:7][CH2:6][C@@H:5]1[C:10](=O)[CH2:1][CH2:2][CH2:3][C@:4]1([CH3:18])[CH3:19])[c:9]([CH2:20]O)[cH:11][c:12]2O', 'CC(C)c2cc(CC[C@@H]1C(=O)CCC[C@]1(C)C)c(CO)cc2O', '[CH3:23][CH:27]([CH3:23])[c:134]2[cH:127][c:136]([CH2:31][CH2:26][C@@H:61]1[C:215](=O)[CH2:42][CH2:23][CH2:40][C@:40]1([CH3:30])[CH3:22])[c:132]([CH2:63]O)[cH:116][c:152]2O', '23 24 C:17 19.22 -8.00 C:16 18.00 -5.91 C:19 16.81 -14.91 C:18 15.69 -12.96 O 11.92 -13.65 O 11.93 -9.42 O 15.56 -5.95 C:11 14.33 -8.00 C:14 16.78 -9.43 C:20 13.13 -10.12 C:2 14.33 -16.43 C:1 13.12 -15.74 C:7 15.56 -11.56 C:6 14.33 -12.26 C:3 15.54 -15.74 C:10 13.12 -14.35 C:12 15.56 -7.33 C:9 14.33 -9.43 C:8 15.56 -10.15 C:13 16.78 -8.00 C:15 18.00 -7.33 C:5 14.33 -13.65 C:4 15.54 -14.35 1 21 1 2 21 1 23 3 -1 23 4 -2 5 16 2 6 10 1 7 17 1 8 17 2 8 18 1 9 19 1 9 20 2 10 18 1 11 12 1 11 15 1 12 16 1 13 14 1 13 19 1 22 14 -1 15 23 1 16 22 1 17 20 1 18 19 2 20 21 1 22 23 1', '23 24 C 19.22 -8.00 C 18.00 -5.91 C 16.81 -14.91 C 15.69 -12.96 O 11.92 -13.65 O 11.93 -9.42 O 15.56 -5.95 C 14.33 -8.00 C 16.78 -9.43 C 13.13 -10.12 C 14.33 -16.43 C 13.12 -15.74 C 15.56 -11.56 C 14.33 -12.26 C 15.54 -15.74 C 13.12 -14.35 C 15.56 -7.33 C 14.33 -9.43 C 15.56 -10.15 C 16.78 -8.00 C 18.00 -7.33 C 14.33 -13.65 C 15.54 -14.35 1 21 1 2 21 1 23 3 -1 23 4 -2 5 16 2 6 10 1 7 17 1 8 17 2 8 18 1 9 19 1 9 20 2 10 18 1 11 12 1 11 15 1 12 16 1 13 14 1 13 19 1 22 14 -1 15 23 1 16 22 1 17 20 1 18 19 2 20 21 1 22 23 1', '23 24 C:23 19.22 -8.00 C:23 18.00 -5.91 C:22 16.81 -14.91 C:30 15.69 -12.96 O 11.92 -13.65 O 11.93 -9.42 O 15.56 -5.95 C:116 14.33 -8.00 C:127 16.78 -9.43 C:63 13.13 -10.12 C:23 14.33 -16.43 C:42 13.12 -15.74 C:31 15.56 -11.56 C:26 14.33 -12.26 C:40 15.54 -15.74 C:215 13.12 -14.35 C:152 15.56 -7.33 C:132 14.33 -9.43 C:136 15.56 -10.15 C:134 16.78 -8.00 C:27 18.00 -7.33 C:61 14.33 -13.65 C:40 15.54 -14.35 1 21 1 2 21 1 23 3 -1 23 4 -2 5 16 2 6 10 1 7 17 1 8 17 2 8 18 1 9 19 1 9 20 2 10 18 1 11 12 1 11 15 1 12 16 1 13 14 1 13 19 1 22 14 -1 15 23 1 16 22 1 17 20 1 18 19 2 20 21 1 22 23 1', 'C20H30O3', 318.212, 'C', 'np95_1592_3', 916, '', '', '1', 1, NULL, NULL),
(307, 'Formosanic acid methyl eter', '13-hydroxy-3,4-secototara-4(18),8,11,13-tetraen-3-oic acid methyl ester', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]2([C:4](=[CH2:18])[CH3:19])[CH2:6][CH2:7][c:8]1[c:9]([cH:11][cH:12][c:13](O)[c:14]1[CH:15]([CH3:17])[CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)O[CH3:3001]', '[H][C@@]2(C(=C)C)CCc1c(ccc(O)c1C(C)C)[C@@]2(C)CCC(=O)OC', '[H][C@@:46]2([C:147](=[CH2:114])[CH3:23])[CH2:25][CH2:30][c:131]1[c:135]([cH:125][cH:115][c:152](O)[c:136]1[CH:27]([CH3:20])[CH3:20])[C@@:41]2([CH3:28])[CH2:35][CH2:28][C:175](=O)O[CH3:9999]', '25 26 H 15.58 -13.12 C:18 14.32 -14.32 C:3001 9.48 -9.89 C:19 13.11 -12.18 C:16 21.69 -10.07 C:17 20.51 -12.16 C:20 15.58 -9.33 O 11.85 -8.57 O 20.53 -7.93 C:12 18.06 -7.93 C:11 16.81 -8.61 C:2 13.09 -10.71 C:7 18.06 -12.19 C:6 16.81 -12.91 C:1 14.33 -10.05 O 10.67 -10.63 C:4 14.33 -12.91 C:3 11.90 -9.97 C:13 19.29 -8.61 C:9 16.81 -10.05 C:8 18.06 -10.78 C:14 19.29 -10.05 C:15 20.51 -10.77 C:5 15.58 -12.19 C:10 15.58 -10.78 24 1 -2 2 17 2 3 16 1 4 17 1 5 23 1 6 23 1 25 7 -1 8 18 2 9 19 1 10 11 2 10 19 1 11 20 1 12 15 1 12 18 1 13 14 1 13 21 1 14 24 1 15 25 1 16 18 1 17 24 1 19 22 2 20 21 2 20 25 1 21 22 1 22 23 1 24 25 1', '25 26 H 15.58 -13.12 C 14.32 -14.32 C 9.48 -9.89 C 13.11 -12.18 C 21.69 -10.07 C 20.51 -12.16 C 15.58 -9.33 O 11.85 -8.57 O 20.53 -7.93 C 18.06 -7.93 C 16.81 -8.61 C 13.09 -10.71 C 18.06 -12.19 C 16.81 -12.91 C 14.33 -10.05 O 10.67 -10.63 C 14.33 -12.91 C 11.90 -9.97 C 19.29 -8.61 C 16.81 -10.05 C 18.06 -10.78 C 19.29 -10.05 C 20.51 -10.77 C 15.58 -12.19 C 15.58 -10.78 24 1 -2 2 17 2 3 16 1 4 17 1 5 23 1 6 23 1 25 7 -1 8 18 2 9 19 1 10 11 2 10 19 1 11 20 1 12 15 1 12 18 1 13 14 1 13 21 1 14 24 1 15 25 1 16 18 1 17 24 1 19 22 2 20 21 2 20 25 1 21 22 1 22 23 1 24 25 1', '25 26 H 15.58 -13.12 C:114 14.32 -14.32 C 9.48 -9.89 C:23 13.11 -12.18 C:20 21.69 -10.07 C:20 20.51 -12.16 C:28 15.58 -9.33 O 11.85 -8.57 O 20.53 -7.93 C:115 18.06 -7.93 C:125 16.81 -8.61 C:28 13.09 -10.71 C:30 18.06 -12.19 C:25 16.81 -12.91 C:35 14.33 -10.05 O 10.67 -10.63 C:147 14.33 -12.91 C:175 11.90 -9.97 C:152 19.29 -8.61 C:135 16.81 -10.05 C:131 18.06 -10.78 C:136 19.29 -10.05 C:27 20.51 -10.77 C:46 15.58 -12.19 C:41 15.58 -10.78 24 1 -2 2 17 2 3 16 1 4 17 1 5 23 1 6 23 1 25 7 -1 8 18 2 9 19 1 10 11 2 10 19 1 11 20 1 12 15 1 12 18 1 13 14 1 13 21 1 14 24 1 15 25 1 16 18 1 17 24 1 19 22 2 20 21 2 20 25 1 21 22 1 22 23 1 24 25 1', 'C21H30O3', 330.231, 'C', 'np95_1592_5', 916, '', '', '1', 1, NULL, NULL),
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(320, 'Helioscopinolide L', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]12[CH2:11][C@:9]3([H])[C:8](=[CH:14][C:13]1=[C:15]([CH3:17])[C:16](=O)O2)[CH2:7][CH2:6][C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C:3](=O)O[C@@H:1](O)[C@@:10]34[CH3:20]', '[H][C@@]12C[C@]3([H])C(=CC1=C(C)C(=O)O2)CC[C@]4([H])[C@@](C)(C)C(=O)O[C@@H](O)[C@@]34C', '[H][C@@:76]12[CH2:27][C@:43]3([H])[C:151](=[CH:115][C:156]1=[C:117]([CH3:8])[C:176](=O)O2)[CH2:36][CH2:24][C@:43]4([H])[C@@:40]([CH3:30])([CH3:24])[C:178](=O)O[C@@H:99](O)[C@@:43]34[CH3:14]', '27 30 H 16.92 -10.55 H 15.64 -12.62 H 14.38 -14.74 C:17 20.54 -9.44 C:18 14.11 -15.63 C:19 12.07 -15.53 C:20 14.38 -10.86 O 19.26 -6.68 O 10.64 -14.49 O 13.12 -10.20 C:14 18.16 -11.60 C:7 16.90 -13.80 C:6 15.64 -14.54 C:11 15.64 -10.14 O 11.86 -12.35 O 17.19 -8.07 C:15 19.19 -9.17 C:16 18.59 -7.90 C:3 11.86 -13.80 C:8 16.90 -12.35 C:13 18.16 -10.14 C:1 13.12 -11.60 C:4 13.12 -14.54 C:12 16.90 -9.44 C:9 15.64 -11.60 C:5 14.38 -13.80 C:10 14.38 -12.35 24 1 -2 25 2 -1 26 3 -1 4 17 1 23 5 -1 23 6 -2 27 7 -2 8 18 2 9 19 2 22 10 -1 11 20 2 11 21 1 12 13 1 12 20 1 13 26 1 14 24 1 14 25 1 15 19 1 15 22 1 16 18 1 16 24 1 17 18 1 17 21 2 19 23 1 20 25 1 21 24 1 22 27 1 23 26 1 25 27 1 26 27 1', '27 30 H 16.92 -10.55 H 15.64 -12.62 H 14.38 -14.74 C 20.54 -9.44 C 14.11 -15.63 C 12.07 -15.53 C 14.38 -10.86 O 19.26 -6.68 O 10.64 -14.49 O 13.12 -10.20 C 18.16 -11.60 C 16.90 -13.80 C 15.64 -14.54 C 15.64 -10.14 O 11.86 -12.35 O 17.19 -8.07 C 19.19 -9.17 C 18.59 -7.90 C 11.86 -13.80 C 16.90 -12.35 C 18.16 -10.14 C 13.12 -11.60 C 13.12 -14.54 C 16.90 -9.44 C 15.64 -11.60 C 14.38 -13.80 C 14.38 -12.35 24 1 -2 25 2 -1 26 3 -1 4 17 1 23 5 -1 23 6 -2 27 7 -2 8 18 2 9 19 2 22 10 -1 11 20 2 11 21 1 12 13 1 12 20 1 13 26 1 14 24 1 14 25 1 15 19 1 15 22 1 16 18 1 16 24 1 17 18 1 17 21 2 19 23 1 20 25 1 21 24 1 22 27 1 23 26 1 25 27 1 26 27 1', '27 30 H 16.92 -10.55 H 15.64 -12.62 H 14.38 -14.74 C:8 20.54 -9.44 C:24 14.11 -15.63 C:30 12.07 -15.53 C:14 14.38 -10.86 O 19.26 -6.68 O 10.64 -14.49 O 13.12 -10.20 C:115 18.16 -11.60 C:36 16.90 -13.80 C:24 15.64 -14.54 C:27 15.64 -10.14 O 11.86 -12.35 O 17.19 -8.07 C:117 19.19 -9.17 C:176 18.59 -7.90 C:178 11.86 -13.80 C:151 16.90 -12.35 C:156 18.16 -10.14 C:99 13.12 -11.60 C:40 13.12 -14.54 C:76 16.90 -9.44 C:43 15.64 -11.60 C:43 14.38 -13.80 C:43 14.38 -12.35 24 1 -2 25 2 -1 26 3 -1 4 17 1 23 5 -1 23 6 -2 27 7 -2 8 18 2 9 19 2 22 10 -1 11 20 2 11 21 1 12 13 1 12 20 1 13 26 1 14 24 1 14 25 1 15 19 1 15 22 1 16 18 1 16 24 1 17 18 1 17 21 2 19 23 1 20 25 1 21 24 1 22 27 1 23 26 1 25 27 1 26 27 1', 'C19H24O5', 332.224, 'C', 'np96_773_6', 426, '', '', '1', 1, NULL, NULL),
(321, '6a-Acetoxyferruginol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[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][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@@H](OC(C)=O)Cc1cc(C(C)C)c(O)cc1[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:54]23[C@@H:72](O[C:171]([CH3:22])=O)[CH2:38][c:125]1[cH:126][c:131]([CH:29]([CH3:23])[CH3:23])[c:151](O)[cH:110][c:148]1[C@@:36]2([CH3:22])[CH2:39][CH2:19][CH2:42][C@:34]3([CH3:34])[CH3:22]', '26 28 H 13.70 -12.82 C:6002 17.35 -14.00 C:17 19.84 -8.32 C:16 18.61 -6.22 C:19 11.43 -13.58 C:18 13.44 -13.68 C:20 13.70 -9.04 O 16.15 -16.11 O 16.16 -6.26 C:14 17.38 -9.76 C:11 14.93 -8.32 C:2 11.24 -10.49 C:3 11.24 -11.91 C:1 12.46 -9.76 C:7 16.16 -11.91 O 14.93 -14.01 C:6001 16.14 -14.71 C:12 16.16 -7.66 C:8 16.16 -10.49 C:13 17.38 -8.32 C:9 14.93 -9.76 C:15 18.61 -7.66 C:6 14.93 -12.61 C:4 12.46 -12.61 C:10 13.70 -10.49 C:5 13.70 -11.91 26 1 -2 2 17 1 3 22 1 4 22 1 24 5 -1 24 6 -2 25 7 -1 8 17 2 9 18 1 10 19 2 10 20 1 11 18 1 11 21 2 12 13 1 12 14 1 13 24 1 14 25 1 15 19 1 15 23 1 16 17 1 23 16 -2 18 20 2 19 21 1 20 22 1 21 25 1 23 26 1 24 26 1 25 26 1', '26 28 H 13.70 -12.82 C 17.35 -14.00 C 19.84 -8.32 C 18.61 -6.22 C 11.43 -13.58 C 13.44 -13.68 C 13.70 -9.04 O 16.15 -16.11 O 16.16 -6.26 C 17.38 -9.76 C 14.93 -8.32 C 11.24 -10.49 C 11.24 -11.91 C 12.46 -9.76 C 16.16 -11.91 O 14.93 -14.01 C 16.14 -14.71 C 16.16 -7.66 C 16.16 -10.49 C 17.38 -8.32 C 14.93 -9.76 C 18.61 -7.66 C 14.93 -12.61 C 12.46 -12.61 C 13.70 -10.49 C 13.70 -11.91 26 1 -2 2 17 1 3 22 1 4 22 1 24 5 -1 24 6 -2 25 7 -1 8 17 2 9 18 1 10 19 2 10 20 1 11 18 1 11 21 2 12 13 1 12 14 1 13 24 1 14 25 1 15 19 1 15 23 1 16 17 1 23 16 -2 18 20 2 19 21 1 20 22 1 21 25 1 23 26 1 24 26 1 25 26 1', '26 28 H 13.70 -12.82 C:22 17.35 -14.00 C:23 19.84 -8.32 C:23 18.61 -6.22 C:22 11.43 -13.58 C:34 13.44 -13.68 C:22 13.70 -9.04 O 16.15 -16.11 O 16.16 -6.26 C:126 17.38 -9.76 C:110 14.93 -8.32 C:19 11.24 -10.49 C:42 11.24 -11.91 C:39 12.46 -9.76 C:38 16.16 -11.91 O 14.93 -14.01 C:171 16.14 -14.71 C:151 16.16 -7.66 C:125 16.16 -10.49 C:131 17.38 -8.32 C:148 14.93 -9.76 C:29 18.61 -7.66 C:72 14.93 -12.61 C:34 12.46 -12.61 C:36 13.70 -10.49 C:54 13.70 -11.91 26 1 -2 2 17 1 3 22 1 4 22 1 24 5 -1 24 6 -2 25 7 -1 8 17 2 9 18 1 10 19 2 10 20 1 11 18 1 11 21 2 12 13 1 12 14 1 13 24 1 14 25 1 15 19 1 15 23 1 16 17 1 23 16 -2 18 20 2 19 21 1 20 22 1 21 25 1 23 26 1 24 26 1 25 26 1', 'C22H32O3', 344.242, 'C', 'np97_648_1', 1229, '', '', '1', 1, NULL, NULL),
(322, '6-Oxoferruginol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[C:6](=O)[CH2:7][c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C(=O)Cc1cc(C(C)C)c(O)cc1[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:63]23[C:211](=O)[CH2:45][c:124]1[cH:126][c:133]([CH:27]([CH3:23])[CH3:23])[c:152](O)[cH:111][c:147]1[C@@:33]2([CH3:22])[CH2:39][CH2:19][CH2:42][C@@:40]3([CH3:25])[CH3:33]', '23 25 H 13.71 -13.84 C:16 18.63 -7.23 C:17 19.86 -9.34 C:18 13.45 -14.70 C:19 11.44 -14.60 C:20 13.71 -10.06 O 14.94 -15.03 O 16.17 -7.27 C:11 14.94 -9.34 C:14 17.40 -10.78 C:2 11.25 -11.51 C:7 16.17 -12.93 C:3 11.25 -12.93 C:1 12.47 -10.78 C:6 14.94 -13.63 C:12 16.17 -8.67 C:8 16.17 -11.51 C:13 17.40 -9.34 C:9 14.94 -10.78 C:15 18.63 -8.67 C:4 12.47 -13.63 C:10 13.71 -11.51 C:5 13.71 -12.93 23 1 -2 2 20 1 3 20 1 21 4 -2 21 5 -1 22 6 -1 7 15 2 8 16 1 9 16 1 9 19 2 10 17 2 10 18 1 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 22 1 15 23 1 16 18 2 17 19 1 18 20 1 19 22 1 21 23 1 22 23 1', '23 25 H 13.71 -13.84 C 18.63 -7.23 C 19.86 -9.34 C 13.45 -14.70 C 11.44 -14.60 C 13.71 -10.06 O 14.94 -15.03 O 16.17 -7.27 C 14.94 -9.34 C 17.40 -10.78 C 11.25 -11.51 C 16.17 -12.93 C 11.25 -12.93 C 12.47 -10.78 C 14.94 -13.63 C 16.17 -8.67 C 16.17 -11.51 C 17.40 -9.34 C 14.94 -10.78 C 18.63 -8.67 C 12.47 -13.63 C 13.71 -11.51 C 13.71 -12.93 23 1 -2 2 20 1 3 20 1 21 4 -2 21 5 -1 22 6 -1 7 15 2 8 16 1 9 16 1 9 19 2 10 17 2 10 18 1 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 22 1 15 23 1 16 18 2 17 19 1 18 20 1 19 22 1 21 23 1 22 23 1', '23 25 H 13.71 -13.84 C:23 18.63 -7.23 C:23 19.86 -9.34 C:33 13.45 -14.70 C:25 11.44 -14.60 C:22 13.71 -10.06 O 14.94 -15.03 O 16.17 -7.27 C:111 14.94 -9.34 C:126 17.40 -10.78 C:19 11.25 -11.51 C:45 16.17 -12.93 C:42 11.25 -12.93 C:39 12.47 -10.78 C:211 14.94 -13.63 C:152 16.17 -8.67 C:124 16.17 -11.51 C:133 17.40 -9.34 C:147 14.94 -10.78 C:27 18.63 -8.67 C:40 12.47 -13.63 C:33 13.71 -11.51 C:63 13.71 -12.93 23 1 -2 2 20 1 3 20 1 21 4 -2 21 5 -1 22 6 -1 7 15 2 8 16 1 9 16 1 9 19 2 10 17 2 10 18 1 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 22 1 15 23 1 16 18 2 17 19 1 18 20 1 19 22 1 21 23 1 22 23 1', 'C20H28O2', 300.221, 'C', 'np97_648_2', 1229, '', '', '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
(323, 'Multicaulin', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:12001]O[c:12]3[cH:11][c:9]2[c:8]([cH:7][cH:6][c:5]1[c:4]([CH3:19])[c:3]([CH3:18])[cH:2][cH:1][c:10]12)[cH:14][c:13]3[CH:15]([CH3:17])[CH3:16]', 'COc3cc2c(ccc1c(C)c(C)ccc12)cc3C(C)C', '[CH3:55]O[c:151]3[cH:111][c:148]2[c:126]([cH:128][cH:126][c:123]1[c:136]([CH3:18])[c:140]([CH3:21])[cH:128][cH:121][c:133]12)[cH:126][c:130]3[CH:26]([CH3:23])[CH3:23]', '21 23 C:12001 15.58 -6.95 C:18 10.73 -13.94 C:19 13.10 -15.31 C:16 19.21 -7.60 C:17 20.42 -9.69 C:2 11.91 -11.83 C:1 13.12 -11.11 C:7 16.77 -13.23 C:6 15.56 -13.93 C:11 15.56 -9.69 C:14 17.99 -11.11 O 16.77 -7.64 C:3 11.91 -13.23 C:12 16.77 -9.02 C:4 13.12 -13.93 C:13 17.99 -9.69 C:8 16.77 -11.83 C:5 14.34 -13.23 C:10 14.34 -11.83 C:9 15.56 -11.11 C:15 19.21 -9.02 1 12 1 2 13 1 3 15 1 4 21 1 5 21 1 6 7 2 6 13 1 7 19 1 8 9 2 8 17 1 9 18 1 10 14 2 10 20 1 11 16 2 11 17 1 12 14 1 13 15 2 14 16 1 15 18 1 16 21 1 17 20 2 18 19 2 19 20 1', '21 23 C 15.58 -6.95 C 10.73 -13.94 C 13.10 -15.31 C 19.21 -7.60 C 20.42 -9.69 C 11.91 -11.83 C 13.12 -11.11 C 16.77 -13.23 C 15.56 -13.93 C 15.56 -9.69 C 17.99 -11.11 O 16.77 -7.64 C 11.91 -13.23 C 16.77 -9.02 C 13.12 -13.93 C 17.99 -9.69 C 16.77 -11.83 C 14.34 -13.23 C 14.34 -11.83 C 15.56 -11.11 C 19.21 -9.02 1 12 1 2 13 1 3 15 1 4 21 1 5 21 1 6 7 2 6 13 1 7 19 1 8 9 2 8 17 1 9 18 1 10 14 2 10 20 1 11 16 2 11 17 1 12 14 1 13 15 2 14 16 1 15 18 1 16 21 1 17 20 2 18 19 2 19 20 1', '21 23 C:55 15.58 -6.95 C:21 10.73 -13.94 C:18 13.10 -15.31 C:23 19.21 -7.60 C:23 20.42 -9.69 C:128 11.91 -11.83 C:121 13.12 -11.11 C:128 16.77 -13.23 C:126 15.56 -13.93 C:111 15.56 -9.69 C:126 17.99 -11.11 O 16.77 -7.64 C:140 11.91 -13.23 C:151 16.77 -9.02 C:136 13.12 -13.93 C:130 17.99 -9.69 C:126 16.77 -11.83 C:123 14.34 -13.23 C:133 14.34 -11.83 C:148 15.56 -11.11 C:26 19.21 -9.02 1 12 1 2 13 1 3 15 1 4 21 1 5 21 1 6 7 2 6 13 1 7 19 1 8 9 2 8 17 1 9 18 1 10 14 2 10 20 1 11 16 2 11 17 1 12 14 1 13 15 2 14 16 1 15 18 1 16 21 1 17 20 2 18 19 2 19 20 1', 'C20H22O', 278.213, 'C', 'np97_1275_1', 2327, '', '', '1', 1, NULL, NULL),
(324, '12-Demethylmulticaulin', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:18][c:3]3[cH:2][cH:1][c:10]2[c:5]([cH:6][cH:7][c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](O)[cH:11][c:9]12)[c:4]3[CH3:19]', 'Cc3ccc2c(ccc1cc(C(C)C)c(O)cc12)c3C', '[CH3:21][c:140]3[cH:128][cH:121][c:133]2[c:123]([cH:126][cH:128][c:126]1[cH:125][c:130]([CH:26]([CH3:23])[CH3:23])[c:149](O)[cH:110][c:148]12)[c:136]3[CH3:18]', '20 22 C:18 10.73 -13.94 C:19 13.10 -15.31 C:16 19.21 -7.60 C:17 20.42 -9.69 O 16.77 -7.64 C:2 11.91 -11.83 C:1 13.12 -11.11 C:7 16.77 -13.23 C:6 15.56 -13.93 C:11 15.56 -9.69 C:14 17.99 -11.11 C:3 11.91 -13.23 C:12 16.77 -9.02 C:4 13.12 -13.93 C:13 17.99 -9.69 C:8 16.77 -11.83 C:5 14.34 -13.23 C:9 15.56 -11.11 C:10 14.34 -11.83 C:15 19.21 -9.02 1 12 1 2 14 1 3 20 1 4 20 1 5 13 1 6 7 2 6 12 1 7 19 1 8 9 2 8 16 1 9 17 1 10 13 2 10 18 1 11 15 2 11 16 1 12 14 2 13 15 1 14 17 1 15 20 1 16 18 2 17 19 2 18 19 1', '20 22 C 10.73 -13.94 C 13.10 -15.31 C 19.21 -7.60 C 20.42 -9.69 O 16.77 -7.64 C 11.91 -11.83 C 13.12 -11.11 C 16.77 -13.23 C 15.56 -13.93 C 15.56 -9.69 C 17.99 -11.11 C 11.91 -13.23 C 16.77 -9.02 C 13.12 -13.93 C 17.99 -9.69 C 16.77 -11.83 C 14.34 -13.23 C 15.56 -11.11 C 14.34 -11.83 C 19.21 -9.02 1 12 1 2 14 1 3 20 1 4 20 1 5 13 1 6 7 2 6 12 1 7 19 1 8 9 2 8 16 1 9 17 1 10 13 2 10 18 1 11 15 2 11 16 1 12 14 2 13 15 1 14 17 1 15 20 1 16 18 2 17 19 2 18 19 1', '20 22 C:21 10.73 -13.94 C:18 13.10 -15.31 C:23 19.21 -7.60 C:23 20.42 -9.69 O 16.77 -7.64 C:128 11.91 -11.83 C:121 13.12 -11.11 C:128 16.77 -13.23 C:126 15.56 -13.93 C:110 15.56 -9.69 C:125 17.99 -11.11 C:140 11.91 -13.23 C:149 16.77 -9.02 C:136 13.12 -13.93 C:130 17.99 -9.69 C:126 16.77 -11.83 C:123 14.34 -13.23 C:148 15.56 -11.11 C:133 14.34 -11.83 C:26 19.21 -9.02 1 12 1 2 14 1 3 20 1 4 20 1 5 13 1 6 7 2 6 12 1 7 19 1 8 9 2 8 16 1 9 17 1 10 13 2 10 18 1 11 15 2 11 16 1 12 14 2 13 15 1 14 17 1 15 20 1 16 18 2 17 19 2 18 19 1', 'C19H20O', 264.203, 'C', 'np97_1275_2', 2327, '', '', '1', 1, NULL, NULL),
(325, 'Multiorthoquinone', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:2001]O[c:2]3[cH:1][c:10]2[c:5]([cH:6][cH:7][c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](=O)[c:11](=O)[c:9]12)[c:4]([CH3:19])[c:3]3[CH3:18]', 'COc3cc2c(ccc1cc(C(C)C)c(=O)c(=O)c12)c(C)c3C', '[CH3:56]O[c:134]3[cH:153][c:152]2[c:128]([cH:126][cH:132][c:129]1[cH:127][c:135]([CH:26]([CH3:23])[CH3:23])[c:181](=O)[c:183](=O)[c:126]12)[c:133]([CH3:18])[c:141]3[CH3:21]', '23 25 C:2001 10.72 -9.42 C:18 10.73 -13.61 C:19 13.15 -14.98 C:16 19.23 -7.28 C:17 20.45 -9.36 O 16.80 -7.32 O 14.40 -8.63 C:7 16.80 -12.91 C:6 15.58 -13.60 C:14 18.01 -10.79 C:1 13.14 -10.79 O 10.72 -10.81 C:3 11.93 -12.91 C:4 13.14 -13.60 C:2 11.93 -11.50 C:13 18.01 -9.36 C:12 16.80 -8.70 C:11 15.58 -9.36 C:8 16.80 -11.50 C:5 14.36 -12.91 C:10 14.36 -11.50 C:9 15.58 -10.79 C:15 19.23 -8.70 1 12 1 2 13 1 3 14 1 4 23 1 5 23 1 6 17 2 7 18 2 8 9 2 8 19 1 9 20 1 10 16 2 10 19 1 11 15 2 11 21 1 12 15 1 13 14 2 13 15 1 14 20 1 16 17 1 16 23 1 17 18 1 18 22 1 19 22 2 20 21 2 21 22 1', '23 25 C 10.72 -9.42 C 10.73 -13.61 C 13.15 -14.98 C 19.23 -7.28 C 20.45 -9.36 O 16.80 -7.32 O 14.40 -8.63 C 16.80 -12.91 C 15.58 -13.60 C 18.01 -10.79 C 13.14 -10.79 O 10.72 -10.81 C 11.93 -12.91 C 13.14 -13.60 C 11.93 -11.50 C 18.01 -9.36 C 16.80 -8.70 C 15.58 -9.36 C 16.80 -11.50 C 14.36 -12.91 C 14.36 -11.50 C 15.58 -10.79 C 19.23 -8.70 1 12 1 2 13 1 3 14 1 4 23 1 5 23 1 6 17 2 7 18 2 8 9 2 8 19 1 9 20 1 10 16 2 10 19 1 11 15 2 11 21 1 12 15 1 13 14 2 13 15 1 14 20 1 16 17 1 16 23 1 17 18 1 18 22 1 19 22 2 20 21 2 21 22 1', '23 25 C:56 10.72 -9.42 C:21 10.73 -13.61 C:18 13.15 -14.98 C:23 19.23 -7.28 C:23 20.45 -9.36 O 16.80 -7.32 O 14.40 -8.63 C:132 16.80 -12.91 C:126 15.58 -13.60 C:127 18.01 -10.79 C:153 13.14 -10.79 O 10.72 -10.81 C:141 11.93 -12.91 C:133 13.14 -13.60 C:134 11.93 -11.50 C:135 18.01 -9.36 C:181 16.80 -8.70 C:183 15.58 -9.36 C:129 16.80 -11.50 C:128 14.36 -12.91 C:152 14.36 -11.50 C:126 15.58 -10.79 C:26 19.23 -8.70 1 12 1 2 13 1 3 14 1 4 23 1 5 23 1 6 17 2 7 18 2 8 9 2 8 19 1 9 20 1 10 16 2 10 19 1 11 15 2 11 21 1 12 15 1 13 14 2 13 15 1 14 20 1 16 17 1 16 23 1 17 18 1 18 22 1 19 22 2 20 21 2 21 22 1', 'C20H20O3', 308.212, 'C', 'np97_1275_3', 2327, '', '', '1', 1, NULL, NULL),
(326, '2-Demethylmultiorthoquinone', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:18][c:3]3[c:4]([CH3:19])[c:5]2[cH:6][cH:7][c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](=O)[c:11](=O)[c:9]1[c:10]2[cH:1][c:2]3O', 'Cc3c(C)c2ccc1cc(C(C)C)c(=O)c(=O)c1c2cc3O', '[CH3:21][c:141]3[c:134]([CH3:18])[c:127]2[cH:123][cH:133][c:129]1[cH:127][c:135]([CH:26]([CH3:23])[CH3:23])[c:183](=O)[c:183](=O)[c:127]1[c:150]2[cH:153][c:133]3O', '22 24 C:18 10.73 -13.61 C:19 13.15 -14.98 C:16 19.22 -7.28 C:17 20.44 -9.36 O 16.79 -7.32 O 14.39 -8.63 O 10.72 -10.81 C:7 16.79 -12.91 C:6 15.57 -13.60 C:1 13.14 -10.79 C:14 18.00 -10.79 C:3 11.93 -12.91 C:4 13.14 -13.60 C:2 11.93 -11.50 C:13 18.00 -9.36 C:12 16.79 -8.70 C:11 15.57 -9.36 C:8 16.79 -11.50 C:5 14.35 -12.91 C:10 14.35 -11.50 C:9 15.57 -10.79 C:15 19.22 -8.70 1 12 1 2 13 1 3 22 1 4 22 1 5 16 2 6 17 2 7 14 1 8 9 2 8 18 1 9 19 1 10 14 2 10 20 1 11 15 2 11 18 1 12 13 2 12 14 1 13 19 1 15 16 1 15 22 1 16 17 1 17 21 1 18 21 2 19 20 2 20 21 1', '22 24 C 10.73 -13.61 C 13.15 -14.98 C 19.22 -7.28 C 20.44 -9.36 O 16.79 -7.32 O 14.39 -8.63 O 10.72 -10.81 C 16.79 -12.91 C 15.57 -13.60 C 13.14 -10.79 C 18.00 -10.79 C 11.93 -12.91 C 13.14 -13.60 C 11.93 -11.50 C 18.00 -9.36 C 16.79 -8.70 C 15.57 -9.36 C 16.79 -11.50 C 14.35 -12.91 C 14.35 -11.50 C 15.57 -10.79 C 19.22 -8.70 1 12 1 2 13 1 3 22 1 4 22 1 5 16 2 6 17 2 7 14 1 8 9 2 8 18 1 9 19 1 10 14 2 10 20 1 11 15 2 11 18 1 12 13 2 12 14 1 13 19 1 15 16 1 15 22 1 16 17 1 17 21 1 18 21 2 19 20 2 20 21 1', '22 24 C:21 10.73 -13.61 C:18 13.15 -14.98 C:23 19.22 -7.28 C:23 20.44 -9.36 O 16.79 -7.32 O 14.39 -8.63 O 10.72 -10.81 C:133 16.79 -12.91 C:123 15.57 -13.60 C:153 13.14 -10.79 C:127 18.00 -10.79 C:141 11.93 -12.91 C:134 13.14 -13.60 C:133 11.93 -11.50 C:135 18.00 -9.36 C:183 16.79 -8.70 C:183 15.57 -9.36 C:129 16.79 -11.50 C:127 14.35 -12.91 C:150 14.35 -11.50 C:127 15.57 -10.79 C:26 19.22 -8.70 1 12 1 2 13 1 3 22 1 4 22 1 5 16 2 6 17 2 7 14 1 8 9 2 8 18 1 9 19 1 10 14 2 10 20 1 11 15 2 11 18 1 12 13 2 12 14 1 13 19 1 15 16 1 15 22 1 16 17 1 17 21 1 18 21 2 19 20 2 20 21 1', 'C19H18O3', 294.202, 'C', 'np97_1275_4', 2327, '', '', '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
(340, '', '13-Oxo-14,15-dinorlabd-8(17)-en-19-oic acid methyl ester', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]12CCC(=C)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC', '[H][C@@:56]12[CH2:26][CH2:39][C:148](=[CH2:106])[C@H:56]([CH2:18][CH2:43][C:209]([CH3:30])=O)[C@@:40]1([CH3:12])[CH2:39][CH2:20][CH2:38][C@:44]2([CH3:29])[C:178](=O)O[CH3:51]', '23 24 H 16.01 -13.72 C:17 19.71 -10.66 C:19001 11.37 -15.04 C:14 19.69 -6.43 C:18 15.75 -14.58 C:20 16.01 -9.93 O 17.27 -6.43 O 14.05 -15.84 C:2 13.54 -11.39 C:12 18.48 -8.53 C:7 18.48 -12.81 C:11 17.25 -9.21 C:3 13.54 -12.81 C:6 17.25 -13.51 C:1 14.77 -10.66 O 12.39 -14.08 C:13 18.48 -7.13 C:8 18.48 -11.39 C:19 13.73 -14.48 C:9 17.25 -10.66 C:5 16.01 -12.81 C:4 14.77 -13.51 C:10 16.01 -11.39 21 1 -2 2 18 2 3 16 1 4 17 1 22 5 -2 23 6 -1 7 17 2 8 19 2 9 13 1 9 15 1 10 12 1 10 17 1 11 14 1 11 18 1 20 12 -1 13 22 1 14 21 1 15 23 1 16 19 1 18 20 1 22 19 -1 20 23 1 21 22 1 21 23 1', '23 24 H 16.01 -13.72 C 19.71 -10.66 C 11.37 -15.04 C 19.69 -6.43 C 15.75 -14.58 C 16.01 -9.93 O 17.27 -6.43 O 14.05 -15.84 C 13.54 -11.39 C 18.48 -8.53 C 18.48 -12.81 C 17.25 -9.21 C 13.54 -12.81 C 17.25 -13.51 C 14.77 -10.66 O 12.39 -14.08 C 18.48 -7.13 C 18.48 -11.39 C 13.73 -14.48 C 17.25 -10.66 C 16.01 -12.81 C 14.77 -13.51 C 16.01 -11.39 21 1 -2 2 18 2 3 16 1 4 17 1 22 5 -2 23 6 -1 7 17 2 8 19 2 9 13 1 9 15 1 10 12 1 10 17 1 11 14 1 11 18 1 20 12 -1 13 22 1 14 21 1 15 23 1 16 19 1 18 20 1 22 19 -1 20 23 1 21 22 1 21 23 1', '23 24 H 16.01 -13.72 C:106 19.71 -10.66 C:51 11.37 -15.04 C:30 19.69 -6.43 C:29 15.75 -14.58 C:12 16.01 -9.93 O 17.27 -6.43 O 14.05 -15.84 C:20 13.54 -11.39 C:43 18.48 -8.53 C:39 18.48 -12.81 C:18 17.25 -9.21 C:38 13.54 -12.81 C:26 17.25 -13.51 C:39 14.77 -10.66 O 12.39 -14.08 C:209 18.48 -7.13 C:148 18.48 -11.39 C:178 13.73 -14.48 C:56 17.25 -10.66 C:56 16.01 -12.81 C:44 14.77 -13.51 C:40 16.01 -11.39 21 1 -2 2 18 2 3 16 1 4 17 1 22 5 -2 23 6 -1 7 17 2 8 19 2 9 13 1 9 15 1 10 12 1 10 17 1 11 14 1 11 18 1 20 12 -1 13 22 1 14 21 1 15 23 1 16 19 1 18 20 1 22 19 -1 20 23 1 21 22 1 21 23 1', 'C19H30O3', 306.209, 'C', 'ph41_255_5', 1603, '', '', '1', 1, NULL, NULL),
(341, '19-Acetoxyferruginol', '', '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][CH2:3][C@:4]3([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]23CCc1cc(C(C)C)c(O)cc1[C@@]2(C)CCC[C@]3(C)COC(C)=O', '[H][C@@:51]23[CH2:19][CH2:30][c:127]1[cH:127][c:132]([CH:27]([CH3:23])[CH3:23])[c:151](O)[cH:111][c:148]1[C@@:37]2([CH3:27])[CH2:37][CH2:19][CH2:39][C@:36]3([CH3:26])[CH2:67]O[C:171]([CH3:21])=O', '26 28 H 15.50 -13.39 C:19002 9.53 -14.28 C:17 21.65 -8.89 C:16 20.42 -6.79 C:18 15.24 -14.24 C:20 15.50 -9.61 O 11.20 -16.05 O 17.96 -6.82 C:14 19.19 -10.33 C:11 16.73 -8.89 C:2 13.04 -11.06 C:7 17.96 -12.48 C:3 13.04 -12.48 C:1 14.26 -10.33 C:6 16.73 -13.18 C:19 13.23 -14.14 O 11.89 -13.73 C:19001 10.87 -14.68 C:12 17.96 -8.22 C:8 17.96 -11.06 C:13 19.19 -8.89 C:9 16.73 -10.33 C:15 20.42 -8.22 C:4 14.26 -13.18 C:5 15.50 -12.48 C:10 15.50 -11.06 25 1 -2 2 18 1 3 23 1 4 23 1 24 5 -2 26 6 -1 7 18 2 8 19 1 9 20 1 9 21 2 10 19 2 10 22 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 26 1 15 25 1 16 17 1 24 16 -1 17 18 1 19 21 1 20 22 2 21 23 1 22 26 1 24 25 1 25 26 1', '26 28 H 15.50 -13.39 C 9.53 -14.28 C 21.65 -8.89 C 20.42 -6.79 C 15.24 -14.24 C 15.50 -9.61 O 11.20 -16.05 O 17.96 -6.82 C 19.19 -10.33 C 16.73 -8.89 C 13.04 -11.06 C 17.96 -12.48 C 13.04 -12.48 C 14.26 -10.33 C 16.73 -13.18 C 13.23 -14.14 O 11.89 -13.73 C 10.87 -14.68 C 17.96 -8.22 C 17.96 -11.06 C 19.19 -8.89 C 16.73 -10.33 C 20.42 -8.22 C 14.26 -13.18 C 15.50 -12.48 C 15.50 -11.06 25 1 -2 2 18 1 3 23 1 4 23 1 24 5 -2 26 6 -1 7 18 2 8 19 1 9 20 1 9 21 2 10 19 2 10 22 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 26 1 15 25 1 16 17 1 24 16 -1 17 18 1 19 21 1 20 22 2 21 23 1 22 26 1 24 25 1 25 26 1', '26 28 H 15.50 -13.39 C:21 9.53 -14.28 C:23 21.65 -8.89 C:23 20.42 -6.79 C:26 15.24 -14.24 C:27 15.50 -9.61 O 11.20 -16.05 O 17.96 -6.82 C:127 19.19 -10.33 C:111 16.73 -8.89 C:19 13.04 -11.06 C:30 17.96 -12.48 C:39 13.04 -12.48 C:37 14.26 -10.33 C:19 16.73 -13.18 C:67 13.23 -14.14 O 11.89 -13.73 C:171 10.87 -14.68 C:151 17.96 -8.22 C:127 17.96 -11.06 C:132 19.19 -8.89 C:148 16.73 -10.33 C:27 20.42 -8.22 C:36 14.26 -13.18 C:51 15.50 -12.48 C:37 15.50 -11.06 25 1 -2 2 18 1 3 23 1 4 23 1 24 5 -2 26 6 -1 7 18 2 8 19 1 9 20 1 9 21 2 10 19 2 10 22 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 26 1 15 25 1 16 17 1 24 16 -1 17 18 1 19 21 1 20 22 2 21 23 1 22 26 1 24 25 1 25 26 1', 'C22H32O3', 344.242, 'C', 'ph41_255_9', 1603, '', '', '1', 1, NULL, NULL),
(342, '', '6alpha-Hydroxydemethylcryptojaponol', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[C@@H:6](O)[C:7](=O)[c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](O)[c:11](O)[c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H](O)C(=O)c1cc(C(C)C)c(O)c(O)c1[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:55]23[C@@H:73](O)[C:200](=O)[c:122]1[cH:118][c:132]([CH:27]([CH3:23])[CH3:22])[c:147](O)[c:141](O)[c:138]1[C@@:41]2([CH3:20])[CH2:37][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:35]', '25 27 H 13.71 -13.84 C:16 18.63 -7.24 C:17 19.86 -9.34 C:18 13.45 -14.70 C:19 11.45 -14.60 C:20 13.71 -10.06 O 17.38 -13.64 O 16.17 -7.27 O 13.75 -8.60 O 14.94 -15.03 C:14 17.40 -10.78 C:2 11.26 -11.51 C:3 11.26 -12.93 C:1 12.47 -10.78 C:7 16.17 -12.93 C:12 16.17 -8.67 C:11 14.94 -9.34 C:8 16.17 -11.51 C:13 17.40 -9.34 C:9 14.94 -10.78 C:15 18.63 -8.67 C:6 14.94 -13.63 C:4 12.47 -13.63 C:10 13.71 -11.51 C:5 13.71 -12.93 25 1 -2 2 21 1 3 21 1 23 4 -2 23 5 -1 24 6 -1 7 15 2 8 16 1 9 17 1 22 10 -2 11 18 1 11 19 2 12 13 1 12 14 1 13 23 1 14 24 1 15 18 1 15 22 1 16 17 2 16 19 1 17 20 1 18 20 2 19 21 1 20 24 1 22 25 1 23 25 1 24 25 1', '25 27 H 13.71 -13.84 C 18.63 -7.24 C 19.86 -9.34 C 13.45 -14.70 C 11.45 -14.60 C 13.71 -10.06 O 17.38 -13.64 O 16.17 -7.27 O 13.75 -8.60 O 14.94 -15.03 C 17.40 -10.78 C 11.26 -11.51 C 11.26 -12.93 C 12.47 -10.78 C 16.17 -12.93 C 16.17 -8.67 C 14.94 -9.34 C 16.17 -11.51 C 17.40 -9.34 C 14.94 -10.78 C 18.63 -8.67 C 14.94 -13.63 C 12.47 -13.63 C 13.71 -11.51 C 13.71 -12.93 25 1 -2 2 21 1 3 21 1 23 4 -2 23 5 -1 24 6 -1 7 15 2 8 16 1 9 17 1 22 10 -2 11 18 1 11 19 2 12 13 1 12 14 1 13 23 1 14 24 1 15 18 1 15 22 1 16 17 2 16 19 1 17 20 1 18 20 2 19 21 1 20 24 1 22 25 1 23 25 1 24 25 1', '25 27 H 13.71 -13.84 C:22 18.63 -7.24 C:23 19.86 -9.34 C:35 13.45 -14.70 C:22 11.45 -14.60 C:20 13.71 -10.06 O 17.38 -13.64 O 16.17 -7.27 O 13.75 -8.60 O 14.94 -15.03 C:118 17.40 -10.78 C:19 11.26 -11.51 C:42 11.26 -12.93 C:37 12.47 -10.78 C:200 16.17 -12.93 C:147 16.17 -8.67 C:141 14.94 -9.34 C:122 16.17 -11.51 C:132 17.40 -9.34 C:138 14.94 -10.78 C:27 18.63 -8.67 C:73 14.94 -13.63 C:34 12.47 -13.63 C:41 13.71 -11.51 C:55 13.71 -12.93 25 1 -2 2 21 1 3 21 1 23 4 -2 23 5 -1 24 6 -1 7 15 2 8 16 1 9 17 1 22 10 -2 11 18 1 11 19 2 12 13 1 12 14 1 13 23 1 14 24 1 15 18 1 15 22 1 16 17 2 16 19 1 17 20 1 18 20 2 19 21 1 20 24 1 22 25 1 23 25 1 24 25 1', 'C20H28O4', 332.22, 'C', 'ph41_255_12', 1603, '', '', '1', 1, NULL, NULL),
(343, '', '8-oxo-15,17-dinorlabdan-14,19-dioic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][C@H:13]([CH3:16])[C:14](=O)O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=O)[C@H](CC[C@H](C)C(=O)O)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:55]12[CH2:26][CH2:43][C:211](=O)[C@H:63]([CH2:20][CH2:34][C@H:40]([CH3:17])[C:182](=O)O)[C@@:44]1([CH3:13])[CH2:39][CH2:20][CH2:38][C@:44]2([CH3:29])[C:183](=O)O', '24 25 H 14.88 -14.47 C:16 16.11 -7.12 C:18 14.60 -15.28 C:20 14.88 -10.67 O 19.78 -7.82 O 11.33 -14.97 O 18.57 -11.38 O 18.57 -5.72 O 13.11 -16.61 C:2 12.42 -12.10 C:7 17.35 -13.52 C:12 17.35 -9.25 C:11 16.11 -9.95 C:3 12.42 -13.52 C:1 13.65 -11.38 C:6 16.11 -14.23 C:14 18.57 -7.12 C:19 12.70 -15.27 C:8 17.35 -12.10 C:13 17.35 -7.83 C:9 16.11 -11.38 C:5 14.88 -13.52 C:4 13.65 -14.23 C:10 14.88 -12.10 22 1 -2 20 2 -2 23 3 -2 24 4 -1 5 17 2 6 18 2 7 19 2 8 17 1 9 18 1 10 14 1 10 15 1 11 16 1 11 19 1 12 13 1 12 20 1 21 13 -1 14 23 1 15 24 1 16 22 1 17 20 1 23 18 -1 19 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 14.88 -14.47 C 16.11 -7.12 C 14.60 -15.28 C 14.88 -10.67 O 19.78 -7.82 O 11.33 -14.97 O 18.57 -11.38 O 18.57 -5.72 O 13.11 -16.61 C 12.42 -12.10 C 17.35 -13.52 C 17.35 -9.25 C 16.11 -9.95 C 12.42 -13.52 C 13.65 -11.38 C 16.11 -14.23 C 18.57 -7.12 C 12.70 -15.27 C 17.35 -12.10 C 17.35 -7.83 C 16.11 -11.38 C 14.88 -13.52 C 13.65 -14.23 C 14.88 -12.10 22 1 -2 20 2 -2 23 3 -2 24 4 -1 5 17 2 6 18 2 7 19 2 8 17 1 9 18 1 10 14 1 10 15 1 11 16 1 11 19 1 12 13 1 12 20 1 21 13 -1 14 23 1 15 24 1 16 22 1 17 20 1 23 18 -1 19 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 14.88 -14.47 C:17 16.11 -7.12 C:29 14.60 -15.28 C:13 14.88 -10.67 O 19.78 -7.82 O 11.33 -14.97 O 18.57 -11.38 O 18.57 -5.72 O 13.11 -16.61 C:20 12.42 -12.10 C:43 17.35 -13.52 C:34 17.35 -9.25 C:20 16.11 -9.95 C:38 12.42 -13.52 C:39 13.65 -11.38 C:26 16.11 -14.23 C:182 18.57 -7.12 C:183 12.70 -15.27 C:211 17.35 -12.10 C:40 17.35 -7.83 C:63 16.11 -11.38 C:55 14.88 -13.52 C:44 13.65 -14.23 C:44 14.88 -12.10 22 1 -2 20 2 -2 23 3 -2 24 4 -1 5 17 2 6 18 2 7 19 2 8 17 1 9 18 1 10 14 1 10 15 1 11 16 1 11 19 1 12 13 1 12 20 1 21 13 -1 14 23 1 15 24 1 16 22 1 17 20 1 23 18 -1 19 21 1 21 24 1 22 23 1 22 24 1', 'C18H28O5', 324.198, 'C', 'ph41_255_28', 1603, '', '', '1', 1, NULL, NULL),
(344, '', '11-hydroxy-12-oxo-7,9(ll),13-abietatriene ', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH:7]=[c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](=O)[c:11](O)[c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC=c1cc(C(C)C)c(=O)c(O)c1[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:51]23[CH2:26][CH:149]=[c:132]1[cH:136][c:141]([CH:27]([CH3:22])[CH3:22])[c:182](=O)[c:144](O)[c:128]1[C@@:39]2([CH3:19])[CH2:37][CH2:19][CH2:42][C@:34]3([CH3:34])[CH3:22]', '23 25 H 13.74 -14.03 C:17 19.90 -9.54 C:16 18.67 -7.42 C:19 11.47 -14.80 C:18 13.48 -14.89 C:20 13.74 -10.26 O 16.22 -7.49 O 13.80 -8.82 C:7 16.21 -13.12 C:14 17.44 -10.97 C:2 11.28 -11.70 C:6 14.97 -13.82 C:3 11.28 -13.12 C:1 12.50 -10.97 C:11 14.97 -9.54 C:13 17.44 -9.54 C:9 14.97 -10.97 C:12 16.21 -8.86 C:8 16.21 -11.70 C:15 18.67 -8.86 C:4 12.50 -13.82 C:10 13.74 -11.70 C:5 13.74 -13.12 23 1 -2 2 20 1 3 20 1 21 4 -1 21 5 -2 22 6 -1 7 18 2 8 15 1 9 12 1 9 19 2 10 16 2 10 19 1 11 13 1 11 14 1 12 23 1 13 21 1 14 22 1 15 17 2 15 18 1 16 18 1 16 20 1 17 19 1 17 22 1 21 23 1 22 23 1', '23 25 H 13.74 -14.03 C 19.90 -9.54 C 18.67 -7.42 C 11.47 -14.80 C 13.48 -14.89 C 13.74 -10.26 O 16.22 -7.49 O 13.80 -8.82 C 16.21 -13.12 C 17.44 -10.97 C 11.28 -11.70 C 14.97 -13.82 C 11.28 -13.12 C 12.50 -10.97 C 14.97 -9.54 C 17.44 -9.54 C 14.97 -10.97 C 16.21 -8.86 C 16.21 -11.70 C 18.67 -8.86 C 12.50 -13.82 C 13.74 -11.70 C 13.74 -13.12 23 1 -2 2 20 1 3 20 1 21 4 -1 21 5 -2 22 6 -1 7 18 2 8 15 1 9 12 1 9 19 2 10 16 2 10 19 1 11 13 1 11 14 1 12 23 1 13 21 1 14 22 1 15 17 2 15 18 1 16 18 1 16 20 1 17 19 1 17 22 1 21 23 1 22 23 1', '23 25 H 13.74 -14.03 C:22 19.90 -9.54 C:22 18.67 -7.42 C:22 11.47 -14.80 C:34 13.48 -14.89 C:19 13.74 -10.26 O 16.22 -7.49 O 13.80 -8.82 C:149 16.21 -13.12 C:136 17.44 -10.97 C:19 11.28 -11.70 C:26 14.97 -13.82 C:42 11.28 -13.12 C:37 12.50 -10.97 C:144 14.97 -9.54 C:141 17.44 -9.54 C:128 14.97 -10.97 C:182 16.21 -8.86 C:132 16.21 -11.70 C:27 18.67 -8.86 C:34 12.50 -13.82 C:39 13.74 -11.70 C:51 13.74 -13.12 23 1 -2 2 20 1 3 20 1 21 4 -1 21 5 -2 22 6 -1 7 18 2 8 15 1 9 12 1 9 19 2 10 16 2 10 19 1 11 13 1 11 14 1 12 23 1 13 21 1 14 22 1 15 17 2 15 18 1 16 18 1 16 20 1 17 19 1 17 22 1 21 23 1 22 23 1', 'C20H28O2', 300.221, 'C', 'ph41_735_1', 494, '', '', '1', 1, NULL, NULL),
(345, '', '7alpha,11-dihydroxy-12-methoxy-8,11,13-abietatriene  ', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C@@H:7](O)[c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O[CH3:12001])[c:11](O)[c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23C[C@@H](O)c1cc(C(C)C)c(OC)c(O)c1[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:46]23[CH2:23][C@@H:79](O)[c:129]1[cH:120][c:132]([CH:28]([CH3:22])[CH3:9])[c:141](O[CH3:56])[c:143](O)[c:134]1[C@@:40]2([CH3:23])[CH2:37][CH2:20][CH2:41][C@:33]3([CH3:34])[CH3:22]', '25 27 H 13.70 -14.32 C:12001 17.38 -7.09 C:17 19.87 -9.83 C:16 18.63 -7.70 C:19 11.43 -15.09 C:18 13.44 -15.19 C:20 13.70 -10.55 O 13.76 -9.11 O 17.37 -14.10 C:14 17.40 -11.27 C:2 11.23 -11.99 C:3 11.23 -13.41 C:1 12.46 -11.27 C:6 14.93 -14.12 O 16.18 -7.77 C:11 14.93 -9.83 C:13 17.40 -9.83 C:8 16.17 -11.99 C:12 16.17 -9.15 C:9 14.93 -11.27 C:15 18.63 -9.15 C:7 16.17 -13.41 C:4 12.46 -14.12 C:5 13.70 -13.41 C:10 13.70 -11.99 24 1 -2 2 15 1 3 21 1 4 21 1 23 5 -1 23 6 -2 25 7 -1 8 16 1 22 9 -2 10 17 2 10 18 1 11 12 1 11 13 1 12 23 1 13 25 1 14 22 1 14 24 1 15 19 1 16 19 2 16 20 1 17 19 1 17 21 1 18 20 2 18 22 1 20 25 1 23 24 1 24 25 1', '25 27 H 13.70 -14.32 C 17.38 -7.09 C 19.87 -9.83 C 18.63 -7.70 C 11.43 -15.09 C 13.44 -15.19 C 13.70 -10.55 O 13.76 -9.11 O 17.37 -14.10 C 17.40 -11.27 C 11.23 -11.99 C 11.23 -13.41 C 12.46 -11.27 C 14.93 -14.12 O 16.18 -7.77 C 14.93 -9.83 C 17.40 -9.83 C 16.17 -11.99 C 16.17 -9.15 C 14.93 -11.27 C 18.63 -9.15 C 16.17 -13.41 C 12.46 -14.12 C 13.70 -13.41 C 13.70 -11.99 24 1 -2 2 15 1 3 21 1 4 21 1 23 5 -1 23 6 -2 25 7 -1 8 16 1 22 9 -2 10 17 2 10 18 1 11 12 1 11 13 1 12 23 1 13 25 1 14 22 1 14 24 1 15 19 1 16 19 2 16 20 1 17 19 1 17 21 1 18 20 2 18 22 1 20 25 1 23 24 1 24 25 1', '25 27 H 13.70 -14.32 C:56 17.38 -7.09 C:9 19.87 -9.83 C:22 18.63 -7.70 C:22 11.43 -15.09 C:34 13.44 -15.19 C:23 13.70 -10.55 O 13.76 -9.11 O 17.37 -14.10 C:120 17.40 -11.27 C:20 11.23 -11.99 C:41 11.23 -13.41 C:37 12.46 -11.27 C:23 14.93 -14.12 O 16.18 -7.77 C:143 14.93 -9.83 C:132 17.40 -9.83 C:129 16.17 -11.99 C:141 16.17 -9.15 C:134 14.93 -11.27 C:28 18.63 -9.15 C:79 16.17 -13.41 C:33 12.46 -14.12 C:46 13.70 -13.41 C:40 13.70 -11.99 24 1 -2 2 15 1 3 21 1 4 21 1 23 5 -1 23 6 -2 25 7 -1 8 16 1 22 9 -2 10 17 2 10 18 1 11 12 1 11 13 1 12 23 1 13 25 1 14 22 1 14 24 1 15 19 1 16 19 2 16 20 1 17 19 1 17 21 1 18 20 2 18 22 1 20 25 1 23 24 1 24 25 1', 'C21H32O3', 332.231, 'C', 'ph41_735_2', 494, '', '', '1', 1, NULL, NULL),
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(350, 'Salvilimbinol', '4,5-seco-5,10(H)-friedo-4,9,11,12-tetrahydroxyabieta-5,7,11,13-tetraene-3-one', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:5001][C:5]2=[CH:6][CH:7]=[C:8]1[CH:14]=[C:13]([CH:15]([CH3:17])[CH3:16])[C:12](O)=[C:11](O)[C:9]1(O)[CH:10]2[CH2:1][CH2:2][C:3](=O)[C:4]([CH3:18])([CH3:19])O', 'CC2=CC=C1C=C(C(C)C)C(O)=C(O)C1(O)C2CCC(=O)C(C)(C)O', '[CH3:20][C:139]2=[CH:127][CH:130]=[C:136]1[CH:135]=[C:128]([CH:27]([CH3:22])[CH3:21])[C:141](O)=[C:136](O)[C:76]1(O)[CH:45]2[CH2:24][CH2:25][C:211](=O)[C:74]([CH3:27])([CH3:33])O', '25 26 C:5001 14.40 -14.34 C:16 20.43 -8.00 C:17 21.65 -10.08 C:19 9.53 -11.64 C:18 10.76 -13.71 O 11.95 -10.18 O 18.02 -8.02 O 15.66 -9.38 O 9.57 -13.05 O 15.62 -10.78 C:6 16.81 -14.35 C:7 18.01 -13.65 C:14 19.23 -11.51 C:2 13.17 -12.25 C:1 14.38 -11.51 C:5 15.61 -13.65 C:3 11.94 -11.58 C:12 18.01 -9.42 C:8 18.01 -12.25 C:11 16.81 -10.08 C:13 19.23 -10.08 C:15 20.43 -9.42 C:10 15.61 -12.25 C:4 10.76 -12.31 C:9 16.81 -11.51 1 16 1 2 22 1 3 22 1 4 24 1 5 24 1 6 17 2 7 18 1 8 20 1 9 24 1 10 25 1 11 12 1 11 16 2 12 19 2 13 19 1 13 21 2 14 15 1 14 17 1 15 23 1 16 23 1 17 24 1 18 20 2 18 21 1 19 25 1 20 25 1 21 22 1 23 25 1', '25 26 C 14.40 -14.34 C 20.43 -8.00 C 21.65 -10.08 C 9.53 -11.64 C 10.76 -13.71 O 11.95 -10.18 O 18.02 -8.02 O 15.66 -9.38 O 9.57 -13.05 O 15.62 -10.78 C 16.81 -14.35 C 18.01 -13.65 C 19.23 -11.51 C 13.17 -12.25 C 14.38 -11.51 C 15.61 -13.65 C 11.94 -11.58 C 18.01 -9.42 C 18.01 -12.25 C 16.81 -10.08 C 19.23 -10.08 C 20.43 -9.42 C 15.61 -12.25 C 10.76 -12.31 C 16.81 -11.51 1 16 1 2 22 1 3 22 1 4 24 1 5 24 1 6 17 2 7 18 1 8 20 1 9 24 1 10 25 1 11 12 1 11 16 2 12 19 2 13 19 1 13 21 2 14 15 1 14 17 1 15 23 1 16 23 1 17 24 1 18 20 2 18 21 1 19 25 1 20 25 1 21 22 1 23 25 1', '25 26 C:20 14.40 -14.34 C:21 20.43 -8.00 C:22 21.65 -10.08 C:33 9.53 -11.64 C:27 10.76 -13.71 O 11.95 -10.18 O 18.02 -8.02 O 15.66 -9.38 O 9.57 -13.05 O 15.62 -10.78 C:127 16.81 -14.35 C:130 18.01 -13.65 C:135 19.23 -11.51 C:25 13.17 -12.25 C:24 14.38 -11.51 C:139 15.61 -13.65 C:211 11.94 -11.58 C:141 18.01 -9.42 C:136 18.01 -12.25 C:136 16.81 -10.08 C:128 19.23 -10.08 C:27 20.43 -9.42 C:45 15.61 -12.25 C:74 10.76 -12.31 C:76 16.81 -11.51 1 16 1 2 22 1 3 22 1 4 24 1 5 24 1 6 17 2 7 18 1 8 20 1 9 24 1 10 25 1 11 12 1 11 16 2 12 19 2 13 19 1 13 21 2 14 15 1 14 17 1 15 23 1 16 23 1 17 24 1 18 20 2 18 21 1 19 25 1 20 25 1 21 22 1 23 25 1', 'C20H28O5', 348.211, 'C', 'ph41_1143_5', 2280, '', '', '1', 1, NULL, NULL),
(351, '4-Dehydrosalvilimbinol', '4,5-seco-5,10(H)-friedo-9,11,12-trihydroxyabieta-4(18)5,7,11,13-tetraene-3-one', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH2:18]=[C:4]([CH3:19])[C:3](=O)[CH2:2][CH2:1][CH:10]2[C:5]([CH3:5001])=[CH:6][CH:7]=[C:8]1[CH:14]=[C:13]([CH:15]([CH3:17])[CH3:16])[C:12](O)=[C:11](O)[C:9]12O', 'C=C(C)C(=O)CCC2C(C)=CC=C1C=C(C(C)C)C(O)=C(O)C12O', '[CH2:112]=[C:149]([CH3:25])[C:202](=O)[CH2:25][CH2:24][CH:46]2[C:137]([CH3:20])=[CH:127][CH:130]=[C:136]1[CH:136]=[C:127]([CH:27]([CH3:21])[CH3:21])[C:142](O)=[C:137](O)[C:75]12O', '24 25 C:18 10.76 -13.65 C:19 9.53 -11.58 C:5001 14.40 -14.28 C:16 20.43 -7.94 C:17 21.65 -10.02 O 11.95 -10.12 O 18.02 -7.96 O 15.66 -9.32 O 15.62 -10.72 C:6 16.81 -14.29 C:7 18.01 -13.59 C:14 19.23 -11.45 C:2 13.17 -12.19 C:1 14.38 -11.45 C:4 10.76 -12.25 C:5 15.61 -13.59 C:3 11.94 -11.52 C:12 18.01 -9.36 C:11 16.81 -10.02 C:8 18.01 -12.19 C:13 19.23 -10.02 C:15 20.43 -9.36 C:10 15.61 -12.19 C:9 16.81 -11.45 1 15 2 2 15 1 3 16 1 4 22 1 5 22 1 6 17 2 7 18 1 8 19 1 9 24 1 10 11 1 10 16 2 11 20 2 12 20 1 12 21 2 13 14 1 13 17 1 14 23 1 15 17 1 16 23 1 18 19 2 18 21 1 19 24 1 20 24 1 21 22 1 23 24 1', '24 25 C 10.76 -13.65 C 9.53 -11.58 C 14.40 -14.28 C 20.43 -7.94 C 21.65 -10.02 O 11.95 -10.12 O 18.02 -7.96 O 15.66 -9.32 O 15.62 -10.72 C 16.81 -14.29 C 18.01 -13.59 C 19.23 -11.45 C 13.17 -12.19 C 14.38 -11.45 C 10.76 -12.25 C 15.61 -13.59 C 11.94 -11.52 C 18.01 -9.36 C 16.81 -10.02 C 18.01 -12.19 C 19.23 -10.02 C 20.43 -9.36 C 15.61 -12.19 C 16.81 -11.45 1 15 2 2 15 1 3 16 1 4 22 1 5 22 1 6 17 2 7 18 1 8 19 1 9 24 1 10 11 1 10 16 2 11 20 2 12 20 1 12 21 2 13 14 1 13 17 1 14 23 1 15 17 1 16 23 1 18 19 2 18 21 1 19 24 1 20 24 1 21 22 1 23 24 1', '24 25 C:112 10.76 -13.65 C:25 9.53 -11.58 C:20 14.40 -14.28 C:21 20.43 -7.94 C:21 21.65 -10.02 O 11.95 -10.12 O 18.02 -7.96 O 15.66 -9.32 O 15.62 -10.72 C:127 16.81 -14.29 C:130 18.01 -13.59 C:136 19.23 -11.45 C:25 13.17 -12.19 C:24 14.38 -11.45 C:149 10.76 -12.25 C:137 15.61 -13.59 C:202 11.94 -11.52 C:142 18.01 -9.36 C:137 16.81 -10.02 C:136 18.01 -12.19 C:127 19.23 -10.02 C:27 20.43 -9.36 C:46 15.61 -12.19 C:75 16.81 -11.45 1 15 2 2 15 1 3 16 1 4 22 1 5 22 1 6 17 2 7 18 1 8 19 1 9 24 1 10 11 1 10 16 2 11 20 2 12 20 1 12 21 2 13 14 1 13 17 1 14 23 1 15 17 1 16 23 1 18 19 2 18 21 1 19 24 1 20 24 1 21 22 1 23 24 1', 'C20H26O4', 330.212, 'C', 'ph41_1143_6', 2280, '', '', '1', 1, NULL, NULL),
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(359, 'Acetylsalvipisone', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH2:18]=[C:4]([CH3:19])[C:3](=O)[CH2:2][CH2:1][c:10]1[c:5]([CH3:20])[cH:6][cH:7][c:8]2[c:14](=O)[c:13]([CH:15]([CH3:17])[CH3:16])[c:12](O[C:12001]([CH3:12002])=O)[c:11](=O)[c:9]12', 'C=C(C)C(=O)CCc1c(C)ccc2c(=O)c(C(C)C)c(OC(C)=O)c(=O)c12', '[CH2:110]=[C:146]([CH3:23])[C:38](=O)[CH2:30][CH2:27][c:145]1[c:142]([CH3:20])[cH:137][cH:127][c:134]2[c:185](=O)[c:124]([CH:25]([CH3:20])[CH3:20])[c:150](O[C:165]([CH3:21])=O)[c:183](=O)[c:127]12', '27 28 C:18 9.49 -12.52 C:19 10.70 -14.62 C:12002 16.72 -6.98 C:20 14.34 -15.30 C:16 20.41 -8.97 C:17 21.63 -11.04 O 15.57 -9.11 O 11.91 -11.12 O 15.62 -10.35 O 20.42 -13.17 C:6 16.79 -15.31 C:7 17.99 -14.61 C:2 13.13 -13.22 C:1 14.34 -12.48 O 18.00 -9.04 C:4 10.70 -13.22 C:12001 16.76 -8.38 C:3 11.91 -12.52 C:5 15.57 -14.61 C:12 17.99 -10.38 C:10 15.57 -13.22 C:13 19.21 -11.04 C:11 16.79 -11.04 C:14 19.21 -12.48 C:8 17.99 -13.22 C:9 16.79 -12.48 C:15 20.41 -10.38 1 16 2 2 16 1 3 17 1 4 19 1 5 27 1 6 27 1 7 17 2 8 18 2 9 23 2 10 24 2 11 12 2 11 19 1 12 25 1 13 14 1 13 18 1 14 21 1 15 17 1 15 20 1 16 18 1 19 21 2 20 22 2 20 23 1 21 26 1 22 24 1 22 27 1 23 26 1 24 25 1 25 26 2', '27 28 C 9.49 -12.52 C 10.70 -14.62 C 16.72 -6.98 C 14.34 -15.30 C 20.41 -8.97 C 21.63 -11.04 O 15.57 -9.11 O 11.91 -11.12 O 15.62 -10.35 O 20.42 -13.17 C 16.79 -15.31 C 17.99 -14.61 C 13.13 -13.22 C 14.34 -12.48 O 18.00 -9.04 C 10.70 -13.22 C 16.76 -8.38 C 11.91 -12.52 C 15.57 -14.61 C 17.99 -10.38 C 15.57 -13.22 C 19.21 -11.04 C 16.79 -11.04 C 19.21 -12.48 C 17.99 -13.22 C 16.79 -12.48 C 20.41 -10.38 1 16 2 2 16 1 3 17 1 4 19 1 5 27 1 6 27 1 7 17 2 8 18 2 9 23 2 10 24 2 11 12 2 11 19 1 12 25 1 13 14 1 13 18 1 14 21 1 15 17 1 15 20 1 16 18 1 19 21 2 20 22 2 20 23 1 21 26 1 22 24 1 22 27 1 23 26 1 24 25 1 25 26 2', '27 28 C:110 9.49 -12.52 C:23 10.70 -14.62 C:21 16.72 -6.98 C:20 14.34 -15.30 C:20 20.41 -8.97 C:20 21.63 -11.04 O 15.57 -9.11 O 11.91 -11.12 O 15.62 -10.35 O 20.42 -13.17 C:137 16.79 -15.31 C:127 17.99 -14.61 C:30 13.13 -13.22 C:27 14.34 -12.48 O 18.00 -9.04 C:146 10.70 -13.22 C:165 16.76 -8.38 C:38 11.91 -12.52 C:142 15.57 -14.61 C:150 17.99 -10.38 C:145 15.57 -13.22 C:124 19.21 -11.04 C:183 16.79 -11.04 C:185 19.21 -12.48 C:134 17.99 -13.22 C:127 16.79 -12.48 C:25 20.41 -10.38 1 16 2 2 16 1 3 17 1 4 19 1 5 27 1 6 27 1 7 17 2 8 18 2 9 23 2 10 24 2 11 12 2 11 19 1 12 25 1 13 14 1 13 18 1 14 21 1 15 17 1 15 20 1 16 18 1 19 21 2 20 22 2 20 23 1 21 26 1 22 24 1 22 27 1 23 26 1 24 25 1 25 26 2', 'C22H24O5', 368.232, 'C', 'ph44_1297_2', 2325, '', '', '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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(361, '(+)-Elisabethin F', '', 'Terpenoids', 'Diterpenoids', 'Elisabethanes', '[H][C@:6]13[CH2:5][C@H:4](O)[C@H:3]([CH3:18])[C@@:2]2([H])[C:17](O)=[CH:16][C:15]([CH3:20])=[CH:14][C:1]12[C@@H:9]([CH:10]=[C:11]([CH3:12])[CH3:13])[CH2:8][C@@H:7]3[CH3:19]', '[H][C@]13C[C@H](O)[C@H](C)[C@@]2([H])C(O)=CC(C)=CC12[C@@H](C=C(C)C)C[C@@H]3C', '[H][C@:45]13[CH2:38][C@H:67](O)[C@H:42]([CH3:18])[C@@:51]2([H])[C:152](O)=[CH:131][C:133]([CH3:10])=[CH:128][C:45]12[C@@H:45]([CH:128]=[C:136]([CH3:26])[CH3:24])[CH2:38][C@@H:44]3[CH3:19]', '24 26 H 17.19 -11.48 H 15.92 -13.65 C:12 11.44 -8.58 C:13 13.68 -7.54 C:20 12.19 -10.48 C:19 17.83 -8.01 C:18 17.18 -14.80 O 14.68 -14.76 O 19.65 -13.36 C:16 13.42 -12.65 C:10 13.45 -10.01 C:14 14.67 -10.48 C:8 15.45 -8.93 C:5 18.40 -11.21 C:11 12.85 -8.71 C:15 13.42 -11.21 C:17 14.67 -13.36 C:7 16.88 -9.07 C:4 18.40 -12.65 C:3 17.18 -13.36 C:9 14.88 -10.15 C:6 17.18 -10.48 C:2 15.92 -12.65 C:1 15.92 -11.21 22 1 -2 23 2 -2 3 15 1 4 15 1 5 16 1 18 6 -2 20 7 -2 8 17 1 19 9 -2 10 16 1 10 17 2 11 15 2 21 11 -1 12 16 2 12 24 1 13 18 1 13 21 1 14 19 1 14 22 1 17 23 1 18 22 1 19 20 1 20 23 1 21 24 1 22 24 1 23 24 1', '24 26 H 17.19 -11.48 H 15.92 -13.65 C 11.44 -8.58 C 13.68 -7.54 C 12.19 -10.48 C 17.83 -8.01 C 17.18 -14.80 O 14.68 -14.76 O 19.65 -13.36 C 13.42 -12.65 C 13.45 -10.01 C 14.67 -10.48 C 15.45 -8.93 C 18.40 -11.21 C 12.85 -8.71 C 13.42 -11.21 C 14.67 -13.36 C 16.88 -9.07 C 18.40 -12.65 C 17.18 -13.36 C 14.88 -10.15 C 17.18 -10.48 C 15.92 -12.65 C 15.92 -11.21 22 1 -2 23 2 -2 3 15 1 4 15 1 5 16 1 18 6 -2 20 7 -2 8 17 1 19 9 -2 10 16 1 10 17 2 11 15 2 21 11 -1 12 16 2 12 24 1 13 18 1 13 21 1 14 19 1 14 22 1 17 23 1 18 22 1 19 20 1 20 23 1 21 24 1 22 24 1 23 24 1', '24 26 H 17.19 -11.48 H 15.92 -13.65 C:26 11.44 -8.58 C:24 13.68 -7.54 C:10 12.19 -10.48 C:19 17.83 -8.01 C:18 17.18 -14.80 O 14.68 -14.76 O 19.65 -13.36 C:131 13.42 -12.65 C:128 13.45 -10.01 C:128 14.67 -10.48 C:38 15.45 -8.93 C:38 18.40 -11.21 C:136 12.85 -8.71 C:133 13.42 -11.21 C:152 14.67 -13.36 C:44 16.88 -9.07 C:67 18.40 -12.65 C:42 17.18 -13.36 C:45 14.88 -10.15 C:45 17.18 -10.48 C:51 15.92 -12.65 C:45 15.92 -11.21 22 1 -2 23 2 -2 3 15 1 4 15 1 5 16 1 18 6 -2 20 7 -2 8 17 1 19 9 -2 10 16 1 10 17 2 11 15 2 21 11 -1 12 16 2 12 24 1 13 18 1 13 21 1 14 19 1 14 22 1 17 23 1 18 22 1 19 20 1 20 23 1 21 24 1 22 24 1 23 24 1', 'C20H30O2', 302.229, 'C', 'hca04_1090_2', 147, '', '', '1', 1, NULL, NULL),
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(373, 'Pseudopterosin Y', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@H:101]1O[CH2:105][C@H:104](O)[C@H:103](O)[C@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@H:1]([CH:14]=[C:15]([CH3:16])[CH3:17])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)c(C)c(c23)[C@H](C=C(C)C)C[C@@H]4C', '[H][C@:45]34[CH2:28][CH2:32][C@H:29]([CH3:23])[c:127]2[c:145](O)[c:143](O[C@H:103]1O[CH2:64][C@H:70](O)[C@H:69](O)[C@H:70]1O)[c:128]([CH3:14])[c:129]([c:137]23)[C@H:37]([CH:131]=[C:128]([CH3:26])[CH3:18])[CH2:40][C@@H:34]4[CH3:20]', '32 35 H 19.88 -11.46 C:16 15.00 -6.22 C:17 17.45 -6.22 C:20 14.99 -10.45 C:19 19.88 -14.69 C:18 21.10 -8.33 O 17.46 -14.69 O 10.09 -16.07 O 10.10 -13.26 O 12.55 -11.86 C:14 16.23 -8.33 C:6 21.10 -12.58 C:105 12.54 -16.09 C:5 21.10 -11.16 C:2 18.66 -8.33 O 13.77 -15.38 O 14.99 -13.27 C:15 16.23 -6.93 C:11 16.23 -11.16 C:9 17.45 -13.28 C:10 16.23 -12.58 C:8 18.66 -12.58 C:12 17.45 -10.45 C:13 18.66 -11.16 C:7 19.88 -13.28 C:3 19.88 -9.04 C:104 11.33 -15.37 C:1 17.45 -9.04 C:103 11.33 -13.97 C:102 12.55 -13.27 C:101 13.77 -13.98 C:4 19.88 -10.45 32 1 -2 2 18 1 3 18 1 4 19 1 25 5 -2 26 6 -2 7 20 1 27 8 -2 29 9 -2 30 10 -1 11 18 2 28 11 -2 12 14 1 12 25 1 13 16 1 13 27 1 14 32 1 15 26 1 15 28 1 16 31 1 17 21 1 31 17 -1 19 21 1 19 23 2 20 21 2 20 22 1 22 24 2 22 25 1 23 24 1 23 28 1 24 32 1 26 32 1 27 29 1 29 30 1 30 31 1', '32 35 H 19.88 -11.46 C 15.00 -6.22 C 17.45 -6.22 C 14.99 -10.45 C 19.88 -14.69 C 21.10 -8.33 O 17.46 -14.69 O 10.09 -16.07 O 10.10 -13.26 O 12.55 -11.86 C 16.23 -8.33 C 21.10 -12.58 C 12.54 -16.09 C 21.10 -11.16 C 18.66 -8.33 O 13.77 -15.38 O 14.99 -13.27 C 16.23 -6.93 C 16.23 -11.16 C 17.45 -13.28 C 16.23 -12.58 C 18.66 -12.58 C 17.45 -10.45 C 18.66 -11.16 C 19.88 -13.28 C 19.88 -9.04 C 11.33 -15.37 C 17.45 -9.04 C 11.33 -13.97 C 12.55 -13.27 C 13.77 -13.98 C 19.88 -10.45 32 1 -2 2 18 1 3 18 1 4 19 1 25 5 -2 26 6 -2 7 20 1 27 8 -2 29 9 -2 30 10 -1 11 18 2 28 11 -2 12 14 1 12 25 1 13 16 1 13 27 1 14 32 1 15 26 1 15 28 1 16 31 1 17 21 1 31 17 -1 19 21 1 19 23 2 20 21 2 20 22 1 22 24 2 22 25 1 23 24 1 23 28 1 24 32 1 26 32 1 27 29 1 29 30 1 30 31 1', '32 35 H 19.88 -11.46 C:26 15.00 -6.22 C:18 17.45 -6.22 C:14 14.99 -10.45 C:23 19.88 -14.69 C:20 21.10 -8.33 O 17.46 -14.69 O 10.09 -16.07 O 10.10 -13.26 O 12.55 -11.86 C:131 16.23 -8.33 C:32 21.10 -12.58 C:64 12.54 -16.09 C:28 21.10 -11.16 C:40 18.66 -8.33 O 13.77 -15.38 O 14.99 -13.27 C:128 16.23 -6.93 C:128 16.23 -11.16 C:145 17.45 -13.28 C:143 16.23 -12.58 C:127 18.66 -12.58 C:129 17.45 -10.45 C:137 18.66 -11.16 C:29 19.88 -13.28 C:34 19.88 -9.04 C:70 11.33 -15.37 C:37 17.45 -9.04 C:69 11.33 -13.97 C:70 12.55 -13.27 C:103 13.77 -13.98 C:45 19.88 -10.45 32 1 -2 2 18 1 3 18 1 4 19 1 25 5 -2 26 6 -2 7 20 1 27 8 -2 29 9 -2 30 10 -1 11 18 2 28 11 -2 12 14 1 12 25 1 13 16 1 13 27 1 14 32 1 15 26 1 15 28 1 16 31 1 17 21 1 31 17 -1 19 21 1 19 23 2 20 21 2 20 22 1 22 24 2 22 25 1 23 24 1 23 28 1 24 32 1 26 32 1 27 29 1 29 30 1 30 31 1', 'C25H36O6', 432.272, 'C', 'np04_1672_10', 1910, '', '', '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
(374, 'Pseudopterosin Z', '', 'Terpenoids', 'Diterpenoids', 'Amphilectanes', '[H][C@:4]34[CH2:5][CH2:6][C@H:7]([CH3:19])[c:8]2[c:9](O)[c:10](O[C@H:101]1O[CH2:105][C@H:104](O[C:104001]([CH3:104002])=O)[C@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O)[c:11]([CH3:20])[c:12]([c:13]23)[C@@H:1]([CH:14]=[C:15]([CH3:17])[CH3:16])[CH2:2][C@@H:3]4[CH3:18]', '[H][C@]34CC[C@H](C)c2c(O)c(O[C@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O)c(C)c(c23)[C@@H](C=C(C)C)C[C@@H]4C', '[H][C@:43]34[CH2:28][CH2:31][C@H:27]([CH3:23])[c:128]2[c:145](O)[c:143](O[C@H:103]1O[CH2:62][C@H:69](O[C:171]([CH3:21])=O)[C@H:70](O[C:170]([CH3:21])=O)[C@H:68]1O)[c:127]([CH3:12])[c:130]([c:135]23)[C@@H:36]([CH:130]=[C:129]([CH3:18])[CH3:26])[CH2:39][C@@H:30]4[CH3:21]', '38 41 H 20.46 -10.36 C:17 18.03 -5.14 C:16 15.59 -5.14 C:104002 9.43 -17.06 C:103002 9.47 -10.05 C:20 15.58 -9.36 C:19 20.46 -13.60 C:18 21.68 -7.24 O 11.87 -17.11 O 11.91 -10.04 O 18.04 -13.60 O 13.14 -10.77 C:14 16.82 -7.24 C:6 21.68 -11.48 C:5 21.68 -10.07 C:105 13.13 -14.99 C:2 19.25 -7.24 O 14.36 -14.28 O 10.68 -14.97 O 10.69 -12.17 O 15.58 -12.18 C:15 16.82 -5.84 C:104001 10.68 -16.38 C:103001 10.69 -10.76 C:11 16.82 -10.07 C:9 18.03 -12.19 C:10 16.82 -11.48 C:8 19.25 -11.48 C:12 18.03 -9.36 C:13 19.25 -10.07 C:7 20.46 -12.19 C:3 20.46 -7.95 C:1 18.03 -7.95 C:102 13.14 -12.18 C:104 11.92 -14.27 C:101 14.36 -12.88 C:103 11.92 -12.87 C:4 20.46 -9.36 38 1 -2 2 22 1 3 22 1 4 23 1 5 24 1 6 25 1 31 7 -2 32 8 -2 9 23 2 10 24 2 11 26 1 34 12 -1 13 22 2 33 13 -1 14 15 1 14 31 1 15 38 1 16 18 1 16 35 1 17 32 1 17 33 1 18 36 1 19 23 1 35 19 -2 20 24 1 37 20 -2 21 27 1 36 21 -1 25 27 1 25 29 2 26 27 2 26 28 1 28 30 2 28 31 1 29 30 1 29 33 1 30 38 1 32 38 1 34 36 1 34 37 1 35 37 1', '38 41 H 20.46 -10.36 C 18.03 -5.14 C 15.59 -5.14 C 9.43 -17.06 C 9.47 -10.05 C 15.58 -9.36 C 20.46 -13.60 C 21.68 -7.24 O 11.87 -17.11 O 11.91 -10.04 O 18.04 -13.60 O 13.14 -10.77 C 16.82 -7.24 C 21.68 -11.48 C 21.68 -10.07 C 13.13 -14.99 C 19.25 -7.24 O 14.36 -14.28 O 10.68 -14.97 O 10.69 -12.17 O 15.58 -12.18 C 16.82 -5.84 C 10.68 -16.38 C 10.69 -10.76 C 16.82 -10.07 C 18.03 -12.19 C 16.82 -11.48 C 19.25 -11.48 C 18.03 -9.36 C 19.25 -10.07 C 20.46 -12.19 C 20.46 -7.95 C 18.03 -7.95 C 13.14 -12.18 C 11.92 -14.27 C 14.36 -12.88 C 11.92 -12.87 C 20.46 -9.36 38 1 -2 2 22 1 3 22 1 4 23 1 5 24 1 6 25 1 31 7 -2 32 8 -2 9 23 2 10 24 2 11 26 1 34 12 -1 13 22 2 33 13 -1 14 15 1 14 31 1 15 38 1 16 18 1 16 35 1 17 32 1 17 33 1 18 36 1 19 23 1 35 19 -2 20 24 1 37 20 -2 21 27 1 36 21 -1 25 27 1 25 29 2 26 27 2 26 28 1 28 30 2 28 31 1 29 30 1 29 33 1 30 38 1 32 38 1 34 36 1 34 37 1 35 37 1', '38 41 H 20.46 -10.36 C:18 18.03 -5.14 C:26 15.59 -5.14 C:21 9.43 -17.06 C:21 9.47 -10.05 C:12 15.58 -9.36 C:23 20.46 -13.60 C:21 21.68 -7.24 O 11.87 -17.11 O 11.91 -10.04 O 18.04 -13.60 O 13.14 -10.77 C:130 16.82 -7.24 C:31 21.68 -11.48 C:28 21.68 -10.07 C:62 13.13 -14.99 C:39 19.25 -7.24 O 14.36 -14.28 O 10.68 -14.97 O 10.69 -12.17 O 15.58 -12.18 C:129 16.82 -5.84 C:171 10.68 -16.38 C:170 10.69 -10.76 C:127 16.82 -10.07 C:145 18.03 -12.19 C:143 16.82 -11.48 C:128 19.25 -11.48 C:130 18.03 -9.36 C:135 19.25 -10.07 C:27 20.46 -12.19 C:30 20.46 -7.95 C:36 18.03 -7.95 C:68 13.14 -12.18 C:69 11.92 -14.27 C:103 14.36 -12.88 C:70 11.92 -12.87 C:43 20.46 -9.36 38 1 -2 2 22 1 3 22 1 4 23 1 5 24 1 6 25 1 31 7 -2 32 8 -2 9 23 2 10 24 2 11 26 1 34 12 -1 13 22 2 33 13 -1 14 15 1 14 31 1 15 38 1 16 18 1 16 35 1 17 32 1 17 33 1 18 36 1 19 23 1 35 19 -2 20 24 1 37 20 -2 21 27 1 36 21 -1 25 27 1 25 29 2 26 27 2 26 28 1 28 30 2 28 31 1 29 30 1 29 33 1 30 38 1 32 38 1 34 36 1 34 37 1 35 37 1', 'C29H40O8', 516.313, 'C', 'np04_1672_11', 1910, '', '', '1', 1, NULL, NULL),
(375, 'Seco-pseudopterosin H', '', 'Terpenoids', 'Diterpenoids', 'Serrulatanes', '[H][C@:4]3([C@@H:11]([CH3:18])[CH2:12][CH2:13][CH:14]=[C:15]([CH3:17])[CH3:16])[CH2:3][CH2:2][C@H:1]([CH3:20])[c:9]2[c:8](O)[c:7](O[C@H:101]1O[CH2:105][C@H:104](O[C:104001]([CH3:104002])=O)[C@H:103](O)[C@H:102]1O)[c:6]([CH3:19])[cH:5][c:10]23', '[H][C@]3([C@@H](C)CCC=C(C)C)CC[C@H](C)c2c(O)c(O[C@H]1OC[C@H](OC(C)=O)[C@H](O)[C@H]1O)c(C)cc23', '[H][C@:40]3([C@@H:39]([CH3:16])[CH2:36][CH2:26][CH:125]=[C:131]([CH3:18])[CH3:26])[CH2:18][CH2:28][C@H:27]([CH3:21])[c:129]2[c:147](O)[c:142](O[C@H:104]1O[CH2:62][C@H:72](O[C:172]([CH3:21])=O)[C@H:68](O)[C@H:70]1O)[c:128]([CH3:17])[cH:121][c:137]23', '35 37 H 20.49 -10.38 C:17 18.05 -5.14 C:16 15.61 -5.14 C:104002 9.44 -17.08 C:19 15.60 -9.37 C:20 20.49 -13.60 C:18 21.71 -7.25 O 11.89 -17.13 O 18.05 -13.60 O 10.71 -12.18 O 13.15 -10.78 C:14 16.84 -7.25 C:5 18.05 -9.37 C:13 18.05 -7.96 C:12 19.27 -7.25 C:2 21.71 -11.50 C:105 13.14 -15.01 C:3 21.71 -10.08 O 14.38 -14.30 O 10.70 -14.99 O 15.60 -12.19 C:15 16.84 -5.85 C:104001 10.70 -16.40 C:6 16.84 -10.08 C:8 18.05 -12.20 C:10 19.27 -10.08 C:7 16.84 -11.50 C:9 19.27 -11.50 C:1 20.49 -12.20 C:11 20.49 -7.96 C:103 11.94 -12.88 C:102 13.15 -12.19 C:104 11.94 -14.29 C:101 14.38 -12.89 C:4 20.49 -9.37 35 1 -2 2 22 1 3 22 1 4 23 1 5 24 1 29 6 -2 30 7 -2 8 23 2 9 25 1 31 10 -2 32 11 -1 12 14 1 12 22 2 13 24 2 13 26 1 14 15 1 15 30 1 16 18 1 16 29 1 17 19 1 17 33 1 18 35 1 19 34 1 20 23 1 33 20 -2 21 27 1 34 21 -1 24 27 1 25 27 2 25 28 1 26 28 2 26 35 1 28 29 1 30 35 1 31 32 1 31 33 1 32 34 1', '35 37 H 20.49 -10.38 C 18.05 -5.14 C 15.61 -5.14 C 9.44 -17.08 C 15.60 -9.37 C 20.49 -13.60 C 21.71 -7.25 O 11.89 -17.13 O 18.05 -13.60 O 10.71 -12.18 O 13.15 -10.78 C 16.84 -7.25 C 18.05 -9.37 C 18.05 -7.96 C 19.27 -7.25 C 21.71 -11.50 C 13.14 -15.01 C 21.71 -10.08 O 14.38 -14.30 O 10.70 -14.99 O 15.60 -12.19 C 16.84 -5.85 C 10.70 -16.40 C 16.84 -10.08 C 18.05 -12.20 C 19.27 -10.08 C 16.84 -11.50 C 19.27 -11.50 C 20.49 -12.20 C 20.49 -7.96 C 11.94 -12.88 C 13.15 -12.19 C 11.94 -14.29 C 14.38 -12.89 C 20.49 -9.37 35 1 -2 2 22 1 3 22 1 4 23 1 5 24 1 29 6 -2 30 7 -2 8 23 2 9 25 1 31 10 -2 32 11 -1 12 14 1 12 22 2 13 24 2 13 26 1 14 15 1 15 30 1 16 18 1 16 29 1 17 19 1 17 33 1 18 35 1 19 34 1 20 23 1 33 20 -2 21 27 1 34 21 -1 24 27 1 25 27 2 25 28 1 26 28 2 26 35 1 28 29 1 30 35 1 31 32 1 31 33 1 32 34 1', '35 37 H 20.49 -10.38 C:18 18.05 -5.14 C:26 15.61 -5.14 C:21 9.44 -17.08 C:17 15.60 -9.37 C:21 20.49 -13.60 C:16 21.71 -7.25 O 11.89 -17.13 O 18.05 -13.60 O 10.71 -12.18 O 13.15 -10.78 C:125 16.84 -7.25 C:121 18.05 -9.37 C:26 18.05 -7.96 C:36 19.27 -7.25 C:28 21.71 -11.50 C:62 13.14 -15.01 C:18 21.71 -10.08 O 14.38 -14.30 O 10.70 -14.99 O 15.60 -12.19 C:131 16.84 -5.85 C:172 10.70 -16.40 C:128 16.84 -10.08 C:147 18.05 -12.20 C:137 19.27 -10.08 C:142 16.84 -11.50 C:129 19.27 -11.50 C:27 20.49 -12.20 C:39 20.49 -7.96 C:68 11.94 -12.88 C:70 13.15 -12.19 C:72 11.94 -14.29 C:104 14.38 -12.89 C:40 20.49 -9.37 35 1 -2 2 22 1 3 22 1 4 23 1 5 24 1 29 6 -2 30 7 -2 8 23 2 9 25 1 31 10 -2 32 11 -1 12 14 1 12 22 2 13 24 2 13 26 1 14 15 1 15 30 1 16 18 1 16 29 1 17 19 1 17 33 1 18 35 1 19 34 1 20 23 1 33 20 -2 21 27 1 34 21 -1 24 27 1 25 27 2 25 28 1 26 28 2 26 35 1 28 29 1 30 35 1 31 32 1 31 33 1 32 34 1', 'C27H40O7', 476.293, 'C', 'np04_1672_12', 1910, '', '', '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
(392, '', '18-Acetoxy-3-ene-cis-clerodan-15-ol', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O[C:18001]([CH3:18002])=O)[C@@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][CH:13]([CH3:16])[CH2:14][CH2:15]O', '[H][C@]12CCC=C(COC(C)=O)[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)CCO', '[H][C@:45]12[CH2:17][CH2:24][CH:129]=[C:138]([CH2:67]O[C:171]([CH3:21])=O)[C@@:36]1([CH3:35])[CH2:37][CH2:29][C@@H:37]([CH3:17])[C@:40]2([CH3:16])[CH2:35][CH2:30][CH:30]([CH3:20])[CH2:40][CH2:61]O', '26 27 H 14.31 -9.43 C:18002 10.67 -16.78 C:16 15.53 -5.49 C:17 18.00 -9.73 C:19 14.34 -13.28 C:20 16.60 -8.80 O 13.09 -16.78 O 20.44 -5.50 C:3 11.87 -11.86 C:15 19.22 -6.20 C:2 11.87 -10.44 C:14 18.00 -5.49 C:12 16.78 -7.60 C:7 16.78 -11.86 C:18 13.09 -13.98 C:1 13.09 -9.73 C:6 15.53 -12.57 C:11 15.53 -8.31 O 11.88 -14.68 C:18001 11.88 -16.08 C:4 13.09 -12.57 C:13 16.78 -6.20 C:8 16.78 -10.44 C:5 14.31 -11.86 C:10 14.31 -10.44 C:9 15.53 -9.73 25 1 -1 2 20 1 3 22 1 23 4 -2 24 5 -1 26 6 -2 7 20 2 8 10 1 9 11 1 9 21 2 10 12 1 11 16 1 12 22 1 13 18 1 13 22 1 14 17 1 14 23 1 15 19 1 15 21 1 16 25 1 17 24 1 26 18 -1 19 20 1 21 24 1 23 26 1 24 25 1 25 26 1', '26 27 H 14.31 -9.43 C 10.67 -16.78 C 15.53 -5.49 C 18.00 -9.73 C 14.34 -13.28 C 16.60 -8.80 O 13.09 -16.78 O 20.44 -5.50 C 11.87 -11.86 C 19.22 -6.20 C 11.87 -10.44 C 18.00 -5.49 C 16.78 -7.60 C 16.78 -11.86 C 13.09 -13.98 C 13.09 -9.73 C 15.53 -12.57 C 15.53 -8.31 O 11.88 -14.68 C 11.88 -16.08 C 13.09 -12.57 C 16.78 -6.20 C 16.78 -10.44 C 14.31 -11.86 C 14.31 -10.44 C 15.53 -9.73 25 1 -1 2 20 1 3 22 1 23 4 -2 24 5 -1 26 6 -2 7 20 2 8 10 1 9 11 1 9 21 2 10 12 1 11 16 1 12 22 1 13 18 1 13 22 1 14 17 1 14 23 1 15 19 1 15 21 1 16 25 1 17 24 1 26 18 -1 19 20 1 21 24 1 23 26 1 24 25 1 25 26 1', '26 27 H 14.31 -9.43 C:21 10.67 -16.78 C:20 15.53 -5.49 C:17 18.00 -9.73 C:35 14.34 -13.28 C:16 16.60 -8.80 O 13.09 -16.78 O 20.44 -5.50 C:129 11.87 -11.86 C:61 19.22 -6.20 C:24 11.87 -10.44 C:40 18.00 -5.49 C:30 16.78 -7.60 C:29 16.78 -11.86 C:67 13.09 -13.98 C:17 13.09 -9.73 C:37 15.53 -12.57 C:35 15.53 -8.31 O 11.88 -14.68 C:171 11.88 -16.08 C:138 13.09 -12.57 C:30 16.78 -6.20 C:37 16.78 -10.44 C:36 14.31 -11.86 C:45 14.31 -10.44 C:40 15.53 -9.73 25 1 -1 2 20 1 3 22 1 23 4 -2 24 5 -1 26 6 -2 7 20 2 8 10 1 9 11 1 9 21 2 10 12 1 11 16 1 12 22 1 13 18 1 13 22 1 14 17 1 14 23 1 15 19 1 15 21 1 16 25 1 17 24 1 26 18 -1 19 20 1 21 24 1 23 26 1 24 25 1 25 26 1', 'C22H38O3', 350.242, 'C', 'np03_316_2', 1056, '', 'ent-Clerodanes', '1', 1, NULL, NULL),
(393, '', '15,18-Diacetoxy-3-ene-cis-clerodane', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH2:18]O[C:18001]([CH3:18002])=O)[C@@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][CH:13]([CH3:16])[CH2:14][CH2:15]O[C:15001]([CH3:15002])=O', '[H][C@]12CCC=C(COC(C)=O)[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)CCOC(C)=O', '[H][C@:45]12[CH2:17][CH2:24][CH:129]=[C:138]([CH2:67]O[C:171]([CH3:21])=O)[C@@:36]1([CH3:35])[CH2:37][CH2:29][C@@H:37]([CH3:17])[C@:40]2([CH3:16])[CH2:35][CH2:29][CH:31]([CH3:20])[CH2:35][CH2:63]O[C:173]([CH3:21])=O', '29 30 H 13.08 -9.43 C:15002 21.64 -5.51 C:18002 9.44 -16.78 C:16 14.30 -5.49 C:17 16.77 -9.73 C:19 13.11 -13.28 C:20 15.37 -8.80 O 20.41 -7.60 O 11.86 -16.78 C:3 10.64 -11.86 C:2 10.64 -10.44 C:15 17.99 -6.20 C:14 16.77 -5.49 C:12 15.55 -7.60 C:7 15.55 -11.86 C:18 11.86 -13.98 C:1 11.86 -9.73 C:6 14.30 -12.57 C:11 14.30 -8.31 O 19.21 -5.50 O 10.65 -14.68 C:15001 20.42 -6.20 C:18001 10.65 -16.08 C:4 11.86 -12.57 C:13 15.55 -6.20 C:8 15.55 -10.44 C:10 13.08 -10.44 C:5 13.08 -11.86 C:9 14.30 -9.73 27 1 -1 2 22 1 3 23 1 4 25 1 26 5 -2 28 6 -1 29 7 -2 8 22 2 9 23 2 10 11 1 10 24 2 11 17 1 12 13 1 12 20 1 13 25 1 14 19 1 14 25 1 15 18 1 15 26 1 16 21 1 16 24 1 17 27 1 18 28 1 29 19 -1 20 22 1 21 23 1 24 28 1 26 29 1 27 28 1 27 29 1', '29 30 H 13.08 -9.43 C 21.64 -5.51 C 9.44 -16.78 C 14.30 -5.49 C 16.77 -9.73 C 13.11 -13.28 C 15.37 -8.80 O 20.41 -7.60 O 11.86 -16.78 C 10.64 -11.86 C 10.64 -10.44 C 17.99 -6.20 C 16.77 -5.49 C 15.55 -7.60 C 15.55 -11.86 C 11.86 -13.98 C 11.86 -9.73 C 14.30 -12.57 C 14.30 -8.31 O 19.21 -5.50 O 10.65 -14.68 C 20.42 -6.20 C 10.65 -16.08 C 11.86 -12.57 C 15.55 -6.20 C 15.55 -10.44 C 13.08 -10.44 C 13.08 -11.86 C 14.30 -9.73 27 1 -1 2 22 1 3 23 1 4 25 1 26 5 -2 28 6 -1 29 7 -2 8 22 2 9 23 2 10 11 1 10 24 2 11 17 1 12 13 1 12 20 1 13 25 1 14 19 1 14 25 1 15 18 1 15 26 1 16 21 1 16 24 1 17 27 1 18 28 1 29 19 -1 20 22 1 21 23 1 24 28 1 26 29 1 27 28 1 27 29 1', '29 30 H 13.08 -9.43 C:21 21.64 -5.51 C:21 9.44 -16.78 C:20 14.30 -5.49 C:17 16.77 -9.73 C:35 13.11 -13.28 C:16 15.37 -8.80 O 20.41 -7.60 O 11.86 -16.78 C:129 10.64 -11.86 C:24 10.64 -10.44 C:63 17.99 -6.20 C:35 16.77 -5.49 C:29 15.55 -7.60 C:29 15.55 -11.86 C:67 11.86 -13.98 C:17 11.86 -9.73 C:37 14.30 -12.57 C:35 14.30 -8.31 O 19.21 -5.50 O 10.65 -14.68 C:173 20.42 -6.20 C:171 10.65 -16.08 C:138 11.86 -12.57 C:31 15.55 -6.20 C:37 15.55 -10.44 C:45 13.08 -10.44 C:36 13.08 -11.86 C:40 14.30 -9.73 27 1 -1 2 22 1 3 23 1 4 25 1 26 5 -2 28 6 -1 29 7 -2 8 22 2 9 23 2 10 11 1 10 24 2 11 17 1 12 13 1 12 20 1 13 25 1 14 19 1 14 25 1 15 18 1 15 26 1 16 21 1 16 24 1 17 27 1 18 28 1 29 19 -1 20 22 1 21 23 1 24 28 1 26 29 1 27 28 1 27 29 1', 'C24H40O4', 392.262, 'C', 'np03_316_3', 1056, '', 'ent-Clerodanes', '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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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
(420, 'RumphiosideE', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O[CH3:18001])[C@@:5]1([CH3:19])[C@@H:6]2[CH2:7][C@@H:8]([C:17](=O)O2)[C@:9]3([CH3:20])[CH2:11][CH:12](O[C@@H:101]4O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]4O)[C:13]5(O)[CH:14](O)[CH:15](O[CH3:15001])O[CH:16]5O[CH3:16001]', '[H][C@]13CCC=C(C(=O)OC)[C@@]1(C)[C@@H]2C[C@@H](C(=O)O2)[C@]3(C)CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5(O)C(O)C(OC)OC5OC', '[H][C@:47]13[CH2:17][CH2:24][CH:143]=[C:135]([C:167](=O)O[CH3:52])[C@@:40]1([CH3:21])[C@@H:83]2[CH2:30][C@@H:46]([C:179](=O)O2)[C@:40]3([CH3:22])[CH2:41][CH:76](O[C@@H:103]4O[C@H:79]([CH2:63]O)[C@@H:73](O)[C@H:79](O)[C@H:76]4O)[C:82]5(O)[CH:77](O)[CH:113](O[CH3:54])O[CH:109]5O[CH3:56]', '45 49 H 16.06 -11.69 C:18001 13.69 -18.28 C:15001 15.20 -3.99 C:16001 18.78 -9.54 C:20 18.33 -11.07 C:19 16.09 -15.49 O 16.05 -16.88 O 21.06 -13.15 O 11.28 -5.75 O 10.09 -10.59 O 10.09 -7.81 O 12.45 -11.97 O 14.54 -9.02 O 17.20 -9.36 C:3 13.65 -14.08 C:2 13.65 -12.68 C:106 12.48 -6.44 C:1 14.87 -11.98 C:7 18.51 -14.08 C:11 17.27 -10.59 O 13.67 -16.88 O 14.61 -5.26 O 18.51 -8.16 O 18.77 -15.26 O 13.67 -8.50 O 14.88 -10.59 O 16.80 -6.40 C:18 14.87 -16.18 C:17 19.74 -13.60 C:4 14.87 -14.78 C:103 11.28 -9.90 C:104 11.28 -8.51 C:102 12.47 -10.59 C:14 14.98 -7.69 C:105 12.48 -7.82 C:6 17.27 -14.78 C:12 16.06 -9.91 C:15 15.41 -6.39 C:101 13.68 -9.90 C:8 18.51 -12.68 C:16 17.21 -7.71 C:10 16.06 -12.68 C:9 17.27 -11.98 C:5 16.06 -14.08 C:13 16.08 -8.52 42 1 -1 2 21 1 3 22 1 4 23 1 43 5 -2 44 6 -1 7 28 2 8 29 2 9 17 1 31 10 -1 32 11 -2 33 12 -2 13 34 1 14 45 1 15 16 1 15 30 2 16 18 1 35 17 -1 18 42 1 19 36 1 19 40 1 20 37 1 20 43 1 21 28 1 22 38 1 23 41 1 24 29 1 36 24 -2 25 35 1 25 39 1 26 37 1 39 26 -1 27 38 1 27 41 1 28 30 1 40 29 -2 30 44 1 31 32 1 31 33 1 32 35 1 33 39 1 34 38 1 34 45 1 36 44 1 37 45 1 40 43 1 41 45 1 42 43 1 42 44 1', '45 49 H 16.06 -11.69 C 13.69 -18.28 C 15.20 -3.99 C 18.78 -9.54 C 18.33 -11.07 C 16.09 -15.49 O 16.05 -16.88 O 21.06 -13.15 O 11.28 -5.75 O 10.09 -10.59 O 10.09 -7.81 O 12.45 -11.97 O 14.54 -9.02 O 17.20 -9.36 C 13.65 -14.08 C 13.65 -12.68 C 12.48 -6.44 C 14.87 -11.98 C 18.51 -14.08 C 17.27 -10.59 O 13.67 -16.88 O 14.61 -5.26 O 18.51 -8.16 O 18.77 -15.26 O 13.67 -8.50 O 14.88 -10.59 O 16.80 -6.40 C 14.87 -16.18 C 19.74 -13.60 C 14.87 -14.78 C 11.28 -9.90 C 11.28 -8.51 C 12.47 -10.59 C 14.98 -7.69 C 12.48 -7.82 C 17.27 -14.78 C 16.06 -9.91 C 15.41 -6.39 C 13.68 -9.90 C 18.51 -12.68 C 17.21 -7.71 C 16.06 -12.68 C 17.27 -11.98 C 16.06 -14.08 C 16.08 -8.52 42 1 -1 2 21 1 3 22 1 4 23 1 43 5 -2 44 6 -1 7 28 2 8 29 2 9 17 1 31 10 -1 32 11 -2 33 12 -2 13 34 1 14 45 1 15 16 1 15 30 2 16 18 1 35 17 -1 18 42 1 19 36 1 19 40 1 20 37 1 20 43 1 21 28 1 22 38 1 23 41 1 24 29 1 36 24 -2 25 35 1 25 39 1 26 37 1 39 26 -1 27 38 1 27 41 1 28 30 1 40 29 -2 30 44 1 31 32 1 31 33 1 32 35 1 33 39 1 34 38 1 34 45 1 36 44 1 37 45 1 40 43 1 41 45 1 42 43 1 42 44 1', '45 49 H 16.06 -11.69 C:52 13.69 -18.28 C:54 15.20 -3.99 C:56 18.78 -9.54 C:22 18.33 -11.07 C:21 16.09 -15.49 O 16.05 -16.88 O 21.06 -13.15 O 11.28 -5.75 O 10.09 -10.59 O 10.09 -7.81 O 12.45 -11.97 O 14.54 -9.02 O 17.20 -9.36 C:143 13.65 -14.08 C:24 13.65 -12.68 C:63 12.48 -6.44 C:17 14.87 -11.98 C:30 18.51 -14.08 C:41 17.27 -10.59 O 13.67 -16.88 O 14.61 -5.26 O 18.51 -8.16 O 18.77 -15.26 O 13.67 -8.50 O 14.88 -10.59 O 16.80 -6.40 C:167 14.87 -16.18 C:179 19.74 -13.60 C:135 14.87 -14.78 C:79 11.28 -9.90 C:73 11.28 -8.51 C:76 12.47 -10.59 C:77 14.98 -7.69 C:79 12.48 -7.82 C:83 17.27 -14.78 C:76 16.06 -9.91 C:113 15.41 -6.39 C:103 13.68 -9.90 C:46 18.51 -12.68 C:109 17.21 -7.71 C:47 16.06 -12.68 C:40 17.27 -11.98 C:40 16.06 -14.08 C:82 16.08 -8.52 42 1 -1 2 21 1 3 22 1 4 23 1 43 5 -2 44 6 -1 7 28 2 8 29 2 9 17 1 31 10 -1 32 11 -2 33 12 -2 13 34 1 14 45 1 15 16 1 15 30 2 16 18 1 35 17 -1 18 42 1 19 36 1 19 40 1 20 37 1 20 43 1 21 28 1 22 38 1 23 41 1 24 29 1 36 24 -2 25 35 1 25 39 1 26 37 1 39 26 -1 27 38 1 27 41 1 28 30 1 40 29 -2 30 44 1 31 32 1 31 33 1 32 35 1 33 39 1 34 38 1 34 45 1 36 44 1 37 45 1 40 43 1 41 45 1 42 43 1 42 44 1', 'C29H44O15', 632.309, 'P', 'ph_40_1729_6', 1466, '', '', '1', 1, NULL, NULL),
(421, 'Rumphioside E teracetate', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O[CH3:18001])[C@@:5]1([CH3:19])[C@@H:6]2[CH2:7][C@@H:8]([C:17](=O)O2)[C@:9]3([CH3:20])[CH2:11][CH:12](O[C@@H:101]4O[C@H:105]([CH2:106]O[C:106002]([CH3:106003])=O)[C@@H:104](O[C:104002]([CH3:104003])=O)[C@H:103](O[C:103002]([CH3:103003])=O)[C@H:102]4O[C:102002]([CH3:102003])=O)[C:13]5(O)[CH:16](O[CH3:16001])O[CH:15](O[CH3:15001])[CH:14]5O[C:14001]([CH3:14002])=O', '[H][C@]13CCC=C(C(=O)OC)[C@@]1(C)[C@@H]2C[C@@H](C(=O)O2)[C@]3(C)CC(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)C5(O)C(OC)OC(OC)C5OC(C)=O', '[H][C@:47]13[CH2:16][CH2:24][CH:142]=[C:134]([C:167](=O)O[CH3:52])[C@@:39]1([CH3:27])[C@@H:83]2[CH2:29][C@@H:46]([C:179](=O)O2)[C@:39]3([CH3:21])[CH2:41][CH:75](O[C@@H:99]4O[C@H:72]([CH2:62]O[C:161]([CH3:21])=O)[C@@H:69](O[C:170]([CH3:21])=O)[C@H:73](O[C:170]([CH3:21])=O)[C@H:72]4O[C:170]([CH3:21])=O)[C:83]5(O)[CH:108](O[CH3:56])O[CH:109](O[CH3:54])[CH:77]5O[C:171]([CH3:21])=O', '60 64 H 17.28 -11.85 C:18001 14.92 -18.44 C:15001 16.43 -4.15 C:16001 20.78 -7.39 C:106003 11.29 -3.82 C:104003 8.90 -7.98 C:102003 12.46 -14.22 C:103003 10.13 -12.90 C:14002 13.23 -5.55 C:20 19.55 -11.23 C:19 17.31 -15.65 O 13.72 -3.81 O 10.11 -10.08 O 11.24 -12.12 O 8.92 -10.82 O 15.33 -4.34 O 17.27 -17.05 O 22.28 -13.31 O 16.05 -9.29 C:3 14.88 -14.24 C:2 14.88 -12.84 C:1 16.10 -12.14 C:106 13.71 -6.60 C:7 19.73 -14.24 C:11 18.49 -10.75 O 14.90 -17.05 O 15.84 -5.42 O 19.73 -8.32 O 12.51 -5.91 O 19.99 -15.42 O 11.32 -7.97 O 13.70 -12.13 O 11.32 -10.75 O 15.32 -6.77 O 14.90 -8.66 O 16.11 -10.75 O 18.02 -6.56 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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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(434, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][C@H:3](O[CH2:3002][CH3:3003])[CH:4]1[C:18](=O)O[CH2:19][C@:5]12[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][C@H:12](O)[c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]23CC[C@H](OCC)C1C(=O)OC[C@]12CC[C@@H](C)[C@]3(C)C[C@H](O)c4ccoc4', '[H][C@:46]23[CH2:20][CH2:32][C@H:76](O[CH2:65][CH3:16])[CH:57]1[C:177](=O)O[CH2:71][C@:45]12[CH2:32][CH2:27][C@@H:37]([CH3:16])[C@:40]3([CH3:18])[CH2:45][C@H:62](O)[c:133]4[cH:110][cH:144]o[cH:139]4', '28 31 H 16.73 -10.96 C:3003 10.64 -14.18 C:17 20.43 -11.40 C:20 19.06 -10.48 O 14.47 -16.53 O 20.47 -9.92 C:15 19.98 -5.73 C:14 20.39 -7.08 C:16 18.15 -7.05 C:3002 11.87 -13.50 C:7 19.25 -13.53 C:2 14.29 -12.11 C:1 15.51 -11.40 C:6 18.04 -14.27 C:19 17.60 -14.83 C:11 17.98 -9.98 O 16.87 -15.80 O 13.07 -14.22 O 18.59 -5.72 C:18 15.51 -15.63 C:13 19.26 -7.89 C:8 19.25 -12.11 C:12 19.25 -9.27 C:3 14.29 -13.53 C:4 15.51 -14.28 C:10 16.73 -12.11 C:9 17.98 -11.40 C:5 16.73 -13.53 26 1 -1 2 10 1 22 3 -2 27 4 -2 5 20 2 23 6 -1 7 8 2 7 19 1 8 21 1 9 19 1 9 21 2 10 18 1 11 14 1 11 22 1 12 13 1 12 24 1 13 26 1 14 28 1 15 17 1 28 15 -2 16 23 1 16 27 1 17 20 1 24 18 -1 20 25 1 21 23 1 22 27 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 16.73 -10.96 C 10.64 -14.18 C 20.43 -11.40 C 19.06 -10.48 O 14.47 -16.53 O 20.47 -9.92 C 19.98 -5.73 C 20.39 -7.08 C 18.15 -7.05 C 11.87 -13.50 C 19.25 -13.53 C 14.29 -12.11 C 15.51 -11.40 C 18.04 -14.27 C 17.60 -14.83 C 17.98 -9.98 O 16.87 -15.80 O 13.07 -14.22 O 18.59 -5.72 C 15.51 -15.63 C 19.26 -7.89 C 19.25 -12.11 C 19.25 -9.27 C 14.29 -13.53 C 15.51 -14.28 C 16.73 -12.11 C 17.98 -11.40 C 16.73 -13.53 26 1 -1 2 10 1 22 3 -2 27 4 -2 5 20 2 23 6 -1 7 8 2 7 19 1 8 21 1 9 19 1 9 21 2 10 18 1 11 14 1 11 22 1 12 13 1 12 24 1 13 26 1 14 28 1 15 17 1 28 15 -2 16 23 1 16 27 1 17 20 1 24 18 -1 20 25 1 21 23 1 22 27 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 31 H 16.73 -10.96 C:16 10.64 -14.18 C:16 20.43 -11.40 C:18 19.06 -10.48 O 14.47 -16.53 O 20.47 -9.92 C:144 19.98 -5.73 C:110 20.39 -7.08 C:139 18.15 -7.05 C:65 11.87 -13.50 C:27 19.25 -13.53 C:32 14.29 -12.11 C:20 15.51 -11.40 C:32 18.04 -14.27 C:71 17.60 -14.83 C:45 17.98 -9.98 O 16.87 -15.80 O 13.07 -14.22 O 18.59 -5.72 C:177 15.51 -15.63 C:133 19.26 -7.89 C:37 19.25 -12.11 C:62 19.25 -9.27 C:76 14.29 -13.53 C:57 15.51 -14.28 C:46 16.73 -12.11 C:40 17.98 -11.40 C:45 16.73 -13.53 26 1 -1 2 10 1 22 3 -2 27 4 -2 5 20 2 23 6 -1 7 8 2 7 19 1 8 21 1 9 19 1 9 21 2 10 18 1 11 14 1 11 22 1 12 13 1 12 24 1 13 26 1 14 28 1 15 17 1 28 15 -2 16 23 1 16 27 1 17 20 1 24 18 -1 20 25 1 21 23 1 22 27 1 24 25 1 25 28 1 26 27 1 26 28 1', 'C22H32O5', 376.24, 'C', 'ph_41_217_6', 1311, '', 'ent-Clerodanes', '1', 1, NULL, NULL),
(435, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][C@H:3](O[CH2:3002][CH3:3003])[CH:4]1[C:18](=O)O[CH2:19][C@:5]12[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][C@H:12](O[C:12001]([CH3:12002])=O)[c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]23CC[C@H](OCC)C1C(=O)OC[C@]12CC[C@@H](C)[C@]3(C)C[C@H](OC(C)=O)c4ccoc4', '[H][C@:45]23[CH2:19][CH2:25][C@H:26](O[CH2:65][CH3:16])[CH:46]1[C:176](=O)O[CH2:70][C@:43]12[CH2:37][CH2:27][C@@H:37]([CH3:15])[C@:39]3([CH3:17])[CH2:41][C@H:65](O[C:170]([CH3:21])=O)[c:126]4[cH:109][cH:143]o[cH:140]4', '31 34 H 15.57 -10.97 C:3003 9.46 -14.19 C:12002 21.71 -9.77 C:17 19.26 -11.41 C:20 17.90 -10.49 O 20.45 -7.75 O 13.31 -16.54 C:15 18.82 -5.73 C:14 19.22 -7.08 C:16 16.99 -7.05 C:3002 10.70 -13.51 C:7 18.09 -13.54 C:2 13.13 -12.11 C:1 14.35 -11.41 C:6 16.88 -14.28 C:19 16.44 -14.84 C:11 16.82 -9.98 O 15.71 -15.81 O 11.91 -14.23 O 19.30 -9.92 O 17.43 -5.72 C:12001 20.45 -9.15 C:18 14.35 -15.64 C:13 18.10 -7.89 C:8 18.09 -12.11 C:12 18.09 -9.27 C:3 13.13 -13.54 C:4 14.35 -14.29 C:10 15.57 -12.11 C:9 16.82 -11.41 C:5 15.57 -13.54 29 1 -1 2 11 1 3 22 1 25 4 -2 30 5 -2 6 22 2 7 23 2 8 9 2 8 21 1 9 24 1 10 21 1 10 24 2 11 19 1 12 15 1 12 25 1 13 14 1 13 27 1 14 29 1 15 31 1 16 18 1 31 16 -2 17 26 1 17 30 1 18 23 1 27 19 -1 20 22 1 26 20 -1 23 28 1 24 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 15.57 -10.97 C 9.46 -14.19 C 21.71 -9.77 C 19.26 -11.41 C 17.90 -10.49 O 20.45 -7.75 O 13.31 -16.54 C 18.82 -5.73 C 19.22 -7.08 C 16.99 -7.05 C 10.70 -13.51 C 18.09 -13.54 C 13.13 -12.11 C 14.35 -11.41 C 16.88 -14.28 C 16.44 -14.84 C 16.82 -9.98 O 15.71 -15.81 O 11.91 -14.23 O 19.30 -9.92 O 17.43 -5.72 C 20.45 -9.15 C 14.35 -15.64 C 18.10 -7.89 C 18.09 -12.11 C 18.09 -9.27 C 13.13 -13.54 C 14.35 -14.29 C 15.57 -12.11 C 16.82 -11.41 C 15.57 -13.54 29 1 -1 2 11 1 3 22 1 25 4 -2 30 5 -2 6 22 2 7 23 2 8 9 2 8 21 1 9 24 1 10 21 1 10 24 2 11 19 1 12 15 1 12 25 1 13 14 1 13 27 1 14 29 1 15 31 1 16 18 1 31 16 -2 17 26 1 17 30 1 18 23 1 27 19 -1 20 22 1 26 20 -1 23 28 1 24 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', '31 34 H 15.57 -10.97 C:16 9.46 -14.19 C:21 21.71 -9.77 C:15 19.26 -11.41 C:17 17.90 -10.49 O 20.45 -7.75 O 13.31 -16.54 C:143 18.82 -5.73 C:109 19.22 -7.08 C:140 16.99 -7.05 C:65 10.70 -13.51 C:27 18.09 -13.54 C:25 13.13 -12.11 C:19 14.35 -11.41 C:37 16.88 -14.28 C:70 16.44 -14.84 C:41 16.82 -9.98 O 15.71 -15.81 O 11.91 -14.23 O 19.30 -9.92 O 17.43 -5.72 C:170 20.45 -9.15 C:176 14.35 -15.64 C:126 18.10 -7.89 C:37 18.09 -12.11 C:65 18.09 -9.27 C:26 13.13 -13.54 C:46 14.35 -14.29 C:45 15.57 -12.11 C:39 16.82 -11.41 C:43 15.57 -13.54 29 1 -1 2 11 1 3 22 1 25 4 -2 30 5 -2 6 22 2 7 23 2 8 9 2 8 21 1 9 24 1 10 21 1 10 24 2 11 19 1 12 15 1 12 25 1 13 14 1 13 27 1 14 29 1 15 31 1 16 18 1 31 16 -2 17 26 1 17 30 1 18 23 1 27 19 -1 20 22 1 26 20 -1 23 28 1 24 26 1 25 30 1 27 28 1 28 31 1 29 30 1 29 31 1', 'C24H34O6', 418.261, 'C', 'ph_41_217_8', 1311, '', 'ent-Clerodanes', '1', 1, NULL, NULL),
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