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
(12533, '', '(1R,7R)-1,12-Dihyroxybisabola-3,10-diene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:13][C:11](=[CH:10][CH2:9][CH2:8][C@H:7]([CH3:14])[C@@:6]1(O)[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]1)[CH2:12]O', 'CC(=CCC[C@H](C)[C@@]1(O)CC=C(C)CC1)CO', '[CH3:21][C:134](=[CH:129][CH2:26][CH2:31][C@H:42]([CH3:14])[C@@:72]1(O)[CH2:34][CH:118]=[C:134]([CH3:23])[CH2:27][CH2:31]1)[CH2:62]O', '17 17 C:13 21.58 -10.93 C:15 10.65 -13.04 C:14 15.48 -8.84 O 21.58 -8.15 O 14.27 -9.55 C:10 19.16 -10.93 C:2 11.87 -10.93 C:12 20.36 -8.84 C:9 17.91 -10.22 C:4 13.06 -13.04 C:1 13.06 -10.22 C:8 16.69 -10.93 C:5 14.27 -12.33 C:11 20.36 -10.22 C:3 11.87 -12.33 C:7 15.48 -10.22 C:6 14.27 -10.93 1 14 1 2 15 1 16 3 -1 4 8 1 17 5 -1 6 9 1 6 14 2 7 11 1 7 15 2 8 14 1 9 12 1 10 13 1 10 15 1 11 17 1 12 16 1 13 17 1 16 17 1', '17 17 C 21.58 -10.93 C 10.65 -13.04 C 15.48 -8.84 O 21.58 -8.15 O 14.27 -9.55 C 19.16 -10.93 C 11.87 -10.93 C 20.36 -8.84 C 17.91 -10.22 C 13.06 -13.04 C 13.06 -10.22 C 16.69 -10.93 C 14.27 -12.33 C 20.36 -10.22 C 11.87 -12.33 C 15.48 -10.22 C 14.27 -10.93 1 14 1 2 15 1 16 3 -1 4 8 1 17 5 -1 6 9 1 6 14 2 7 11 1 7 15 2 8 14 1 9 12 1 10 13 1 10 15 1 11 17 1 12 16 1 13 17 1 16 17 1', '17 17 C:21 21.58 -10.93 C:23 10.65 -13.04 C:14 15.48 -8.84 O 21.58 -8.15 O 14.27 -9.55 C:129 19.16 -10.93 C:118 11.87 -10.93 C:62 20.36 -8.84 C:26 17.91 -10.22 C:27 13.06 -13.04 C:34 13.06 -10.22 C:31 16.69 -10.93 C:31 14.27 -12.33 C:134 20.36 -10.22 C:134 11.87 -12.33 C:42 15.48 -10.22 C:72 14.27 -10.93 1 14 1 2 15 1 16 3 -1 4 8 1 17 5 -1 6 9 1 6 14 2 7 11 1 7 15 2 8 14 1 9 12 1 10 13 1 10 15 1 11 17 1 12 16 1 13 17 1 16 17 1', 'C15H26O2', 238.159, 'C', 'np05_1805_1', 3241, '', '', '1', 1, NULL, NULL),
(12534, '', '(1R,7S)-1,12-Dihyroxybisabola-3,10-diene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH3:13][C:11](=[CH:10][CH2:9][CH2:8][C@@H:7]([CH3:14])[C@@:6]1(O)[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]1)[CH2:12]O', 'CC(=CCC[C@@H](C)[C@@]1(O)CC=C(C)CC1)CO', '[CH3:21][C:134](=[CH:129][CH2:26][CH2:31][C@@H:42]([CH3:14])[C@@:72]1(O)[CH2:35][CH:118]=[C:134]([CH3:23])[CH2:27][CH2:30]1)[CH2:62]O', '17 17 C:13 21.58 -10.93 C:15 10.65 -13.04 C:14 15.48 -8.84 O 21.58 -8.15 O 14.27 -9.55 C:10 19.16 -10.93 C:2 11.87 -10.93 C:12 20.36 -8.84 C:9 17.91 -10.22 C:4 13.06 -13.04 C:1 13.06 -10.22 C:8 16.69 -10.93 C:5 14.27 -12.33 C:11 20.36 -10.22 C:3 11.87 -12.33 C:7 15.48 -10.22 C:6 14.27 -10.93 1 14 1 2 15 1 16 3 -2 4 8 1 17 5 -1 6 9 1 6 14 2 7 11 1 7 15 2 8 14 1 9 12 1 10 13 1 10 15 1 11 17 1 12 16 1 13 17 1 16 17 1', '17 17 C 21.58 -10.93 C 10.65 -13.04 C 15.48 -8.84 O 21.58 -8.15 O 14.27 -9.55 C 19.16 -10.93 C 11.87 -10.93 C 20.36 -8.84 C 17.91 -10.22 C 13.06 -13.04 C 13.06 -10.22 C 16.69 -10.93 C 14.27 -12.33 C 20.36 -10.22 C 11.87 -12.33 C 15.48 -10.22 C 14.27 -10.93 1 14 1 2 15 1 16 3 -2 4 8 1 17 5 -1 6 9 1 6 14 2 7 11 1 7 15 2 8 14 1 9 12 1 10 13 1 10 15 1 11 17 1 12 16 1 13 17 1 16 17 1', '17 17 C:21 21.58 -10.93 C:23 10.65 -13.04 C:14 15.48 -8.84 O 21.58 -8.15 O 14.27 -9.55 C:129 19.16 -10.93 C:118 11.87 -10.93 C:62 20.36 -8.84 C:26 17.91 -10.22 C:27 13.06 -13.04 C:35 13.06 -10.22 C:31 16.69 -10.93 C:30 14.27 -12.33 C:134 20.36 -10.22 C:134 11.87 -12.33 C:42 15.48 -10.22 C:72 14.27 -10.93 1 14 1 2 15 1 16 3 -2 4 8 1 17 5 -1 6 9 1 6 14 2 7 11 1 7 15 2 8 14 1 9 12 1 10 13 1 10 15 1 11 17 1 12 16 1 13 17 1 16 17 1', 'C15H26O2', 238.159, 'C', 'np05_1805_2', 3241, '', '', '1', 1, NULL, NULL),
(12535, '', '7,12,13-Trihydroxybisabola-3,10-diene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[H][C@:6]1([C@@:7]([CH3:14])(O)[CH2:8][CH2:9][CH:10]=[C:11]([CH2:12]O)[CH2:13]O)[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]1', '[H][C@]1([C@@](C)(O)CCC=C(CO)CO)CC=C(C)CC1', '[H][C@:43]1([C@@:75]([CH3:23])(O)[CH2:40][CH2:22][CH:132]=[C:137]([CH2:68]O)[CH2:60]O)[CH2:27][CH:120]=[C:134]([CH3:23])[CH2:31][CH2:23]1', '19 19 H 14.26 -9.84 C:15 10.58 -13.05 C:14 16.19 -8.98 O 19.22 -8.09 O 21.67 -12.33 O 14.79 -8.98 C:10 19.22 -10.91 C:2 11.82 -10.91 C:12 20.43 -8.79 C:13 21.67 -10.91 C:9 17.96 -10.19 C:1 13.03 -10.19 C:4 13.03 -13.05 C:8 16.72 -10.91 C:5 14.26 -12.33 C:3 11.82 -12.33 C:11 20.43 -10.19 C:7 15.49 -10.19 C:6 14.26 -10.91 19 1 -1 2 16 1 18 3 -2 4 9 1 5 10 1 18 6 -1 7 11 1 7 17 2 8 12 1 8 16 2 9 17 1 10 17 1 11 14 1 12 19 1 13 15 1 13 16 1 14 18 1 15 19 1 18 19 1', '19 19 H 14.26 -9.84 C 10.58 -13.05 C 16.19 -8.98 O 19.22 -8.09 O 21.67 -12.33 O 14.79 -8.98 C 19.22 -10.91 C 11.82 -10.91 C 20.43 -8.79 C 21.67 -10.91 C 17.96 -10.19 C 13.03 -10.19 C 13.03 -13.05 C 16.72 -10.91 C 14.26 -12.33 C 11.82 -12.33 C 20.43 -10.19 C 15.49 -10.19 C 14.26 -10.91 19 1 -1 2 16 1 18 3 -2 4 9 1 5 10 1 18 6 -1 7 11 1 7 17 2 8 12 1 8 16 2 9 17 1 10 17 1 11 14 1 12 19 1 13 15 1 13 16 1 14 18 1 15 19 1 18 19 1', '19 19 H 14.26 -9.84 C:23 10.58 -13.05 C:23 16.19 -8.98 O 19.22 -8.09 O 21.67 -12.33 O 14.79 -8.98 C:132 19.22 -10.91 C:120 11.82 -10.91 C:68 20.43 -8.79 C:60 21.67 -10.91 C:22 17.96 -10.19 C:27 13.03 -10.19 C:31 13.03 -13.05 C:40 16.72 -10.91 C:23 14.26 -12.33 C:134 11.82 -12.33 C:137 20.43 -10.19 C:75 15.49 -10.19 C:43 14.26 -10.91 19 1 -1 2 16 1 18 3 -2 4 9 1 5 10 1 18 6 -1 7 11 1 7 17 2 8 12 1 8 16 2 9 17 1 10 17 1 11 14 1 12 19 1 13 15 1 13 16 1 14 18 1 15 19 1 18 19 1', 'C15H26O3', 254.167, 'C', 'np05_1805_3', 3241, '', '', '1', 1, NULL, NULL),
(12536, '', '9(E)-11-Hydroxy-α-santalol', 'Terpenoids', 'Sesquiterpenoids', 'Campherenanes', '[CH3:13][C:11](O)([CH:10]=[CH:9][CH2:8][C:7]3([CH3:14])[C@@H:4]1[CH2:5][CH:6]2[CH:2]([CH2:3]1)[C@:1]23[CH3:15])[CH2:12]O', 'CC(O)(C=CCC3(C)[C@@H]1CC2C(C1)[C@]23C)CO', '[CH3:24][C:73](O)([CH:135]=[CH:128][CH2:37][C:46]3([CH3:18])[C@@H:39]1[CH2:31][CH:20]2[CH:20]([CH2:31]1)[C@:27]23[CH3:11])[CH2:70]O', '17 19 C:13 19.64 -12.50 C:14 12.86 -10.16 C:15 13.81 -7.49 O 16.18 -13.71 O 18.95 -13.71 C:9 16.24 -11.31 C:10 17.57 -11.31 C:12 17.57 -13.71 C:8 15.58 -10.16 C:5 12.67 -10.78 C:3 14.97 -10.78 C:4 13.81 -11.45 C:6 12.67 -9.48 C:2 14.97 -9.48 C:11 18.26 -12.50 C:7 14.24 -10.16 C:1 13.81 -8.83 1 15 1 2 16 1 17 3 -2 4 8 1 5 15 1 6 7 2 6 9 1 7 15 1 8 15 1 9 16 1 10 12 1 10 13 1 11 12 1 11 14 1 12 16 -1 13 14 1 13 17 1 14 17 1 16 17 1', '17 19 C 19.64 -12.50 C 12.86 -10.16 C 13.81 -7.49 O 16.18 -13.71 O 18.95 -13.71 C 16.24 -11.31 C 17.57 -11.31 C 17.57 -13.71 C 15.58 -10.16 C 12.67 -10.78 C 14.97 -10.78 C 13.81 -11.45 C 12.67 -9.48 C 14.97 -9.48 C 18.26 -12.50 C 14.24 -10.16 C 13.81 -8.83 1 15 1 2 16 1 17 3 -2 4 8 1 5 15 1 6 7 2 6 9 1 7 15 1 8 15 1 9 16 1 10 12 1 10 13 1 11 12 1 11 14 1 12 16 -1 13 14 1 13 17 1 14 17 1 16 17 1', '17 19 C:24 19.64 -12.50 C:18 12.86 -10.16 C:11 13.81 -7.49 O 16.18 -13.71 O 18.95 -13.71 C:128 16.24 -11.31 C:135 17.57 -11.31 C:70 17.57 -13.71 C:37 15.58 -10.16 C:31 12.67 -10.78 C:31 14.97 -10.78 C:39 13.81 -11.45 C:20 12.67 -9.48 C:20 14.97 -9.48 C:73 18.26 -12.50 C:46 14.24 -10.16 C:27 13.81 -8.83 1 15 1 2 16 1 17 3 -2 4 8 1 5 15 1 6 7 2 6 9 1 7 15 1 8 15 1 9 16 1 10 12 1 10 13 1 11 12 1 11 14 1 12 16 -1 13 14 1 13 17 1 14 17 1 16 17 1', 'C15H24O2', 236.159, 'C', 'np05_1805_4', 3241, '', '', '1', 1, NULL, NULL),
(12537, '', '9(E)-11-Hydroxy-β-santalol', 'Terpenoids', 'Sesquiterpenoids', 'Santalanes', '[CH2:14]=[C:2]2[C@@H:1]1[CH2:6][CH2:5][C@@H:4]([CH2:7]1)[C@:3]2([CH3:15])[CH2:8][CH:9]=[CH:10][C:11]([CH3:13])(O)[CH2:12]O', 'C=C2[C@@H]1CC[C@@H](C1)[C@]2(C)CC=CC(C)(O)CO', '[CH2:100]=[C:165]2[C@@H:47]1[CH2:30][CH2:24][C@@H:45]([CH2:37]1)[C@:45]2([CH3:23])[CH2:44][CH:128]=[CH:136][C:73]([CH3:24])(O)[CH2:70]O', '17 18 C:14 14.92 -8.87 C:13 18.51 -9.56 C:15 13.73 -12.33 O 20.92 -10.95 O 19.71 -10.17 C:9 16.12 -10.95 C:10 17.33 -11.75 C:12 19.71 -11.65 C:8 14.92 -11.65 C:6 11.32 -9.56 C:5 11.32 -10.95 C:7 12.18 -10.30 C:2 13.73 -9.56 C:1 12.52 -8.87 C:4 12.52 -11.65 C:11 18.51 -10.95 C:3 13.73 -10.95 1 13 2 2 16 1 17 3 -2 4 8 1 5 16 1 6 7 2 6 9 1 7 16 1 8 16 1 9 17 1 10 11 1 10 14 1 11 15 1 14 12 -1 15 12 -1 13 14 1 13 17 1 15 17 1', '17 18 C 14.92 -8.87 C 18.51 -9.56 C 13.73 -12.33 O 20.92 -10.95 O 19.71 -10.17 C 16.12 -10.95 C 17.33 -11.75 C 19.71 -11.65 C 14.92 -11.65 C 11.32 -9.56 C 11.32 -10.95 C 12.18 -10.30 C 13.73 -9.56 C 12.52 -8.87 C 12.52 -11.65 C 18.51 -10.95 C 13.73 -10.95 1 13 2 2 16 1 17 3 -2 4 8 1 5 16 1 6 7 2 6 9 1 7 16 1 8 16 1 9 17 1 10 11 1 10 14 1 11 15 1 14 12 -1 15 12 -1 13 14 1 13 17 1 15 17 1', '17 18 C:100 14.92 -8.87 C:24 18.51 -9.56 C:23 13.73 -12.33 O 20.92 -10.95 O 19.71 -10.17 C:128 16.12 -10.95 C:136 17.33 -11.75 C:70 19.71 -11.65 C:44 14.92 -11.65 C:30 11.32 -9.56 C:24 11.32 -10.95 C:37 12.18 -10.30 C:165 13.73 -9.56 C:47 12.52 -8.87 C:45 12.52 -11.65 C:73 18.51 -10.95 C:45 13.73 -10.95 1 13 2 2 16 1 17 3 -2 4 8 1 5 16 1 6 7 2 6 9 1 7 16 1 8 16 1 9 17 1 10 11 1 10 14 1 11 15 1 14 12 -1 15 12 -1 13 14 1 13 17 1 15 17 1', 'C15H24O2', 236.159, 'C', 'np05_1805_5', 3241, '', '', '1', 1, NULL, NULL),
(12538, '', '10(E)-b-Santalic acid', 'Terpenoids', 'Sesquiterpenoids', 'Santalanes', '[CH2:14]=[C:2]2[C@@H:1]1[CH2:6][CH2:5][C@@H:4]([CH2:7]1)[C@:3]2([CH3:15])[CH2:8][CH2:9][CH:10]=[C:11]([CH3:12])[C:13](=O)O', 'C=C2[C@@H]1CC[C@@H](C1)[C@]2(C)CCC=C(C)C(=O)O', '[CH2:100]=[C:166]2[C@@H:47]1[CH2:30][CH2:24][C@@H:45]([CH2:37]1)[C@:45]2([CH3:23])[CH2:39][CH2:25][CH:146]=[C:126]([CH3:12])[C:173](=O)O', '17 18 C:14 14.91 -8.49 C:12 18.53 -9.17 C:15 13.72 -11.96 O 19.71 -12.67 O 20.94 -10.57 C:10 17.35 -11.37 C:9 16.11 -10.57 C:6 11.33 -9.17 C:5 11.33 -10.57 C:8 14.91 -11.27 C:7 12.18 -9.92 C:11 18.53 -10.57 C:13 19.71 -11.27 C:2 13.72 -9.17 C:1 12.52 -8.49 C:4 12.52 -11.27 C:3 13.72 -10.57 1 14 2 2 12 1 17 3 -2 4 13 2 5 13 1 6 7 1 6 12 2 7 10 1 8 9 1 8 15 1 9 16 1 10 17 1 15 11 -1 16 11 -1 12 13 1 14 15 1 14 17 1 16 17 1', '17 18 C 14.91 -8.49 C 18.53 -9.17 C 13.72 -11.96 O 19.71 -12.67 O 20.94 -10.57 C 17.35 -11.37 C 16.11 -10.57 C 11.33 -9.17 C 11.33 -10.57 C 14.91 -11.27 C 12.18 -9.92 C 18.53 -10.57 C 19.71 -11.27 C 13.72 -9.17 C 12.52 -8.49 C 12.52 -11.27 C 13.72 -10.57 1 14 2 2 12 1 17 3 -2 4 13 2 5 13 1 6 7 1 6 12 2 7 10 1 8 9 1 8 15 1 9 16 1 10 17 1 15 11 -1 16 11 -1 12 13 1 14 15 1 14 17 1 16 17 1', '17 18 C:100 14.91 -8.49 C:12 18.53 -9.17 C:23 13.72 -11.96 O 19.71 -12.67 O 20.94 -10.57 C:146 17.35 -11.37 C:25 16.11 -10.57 C:30 11.33 -9.17 C:24 11.33 -10.57 C:39 14.91 -11.27 C:37 12.18 -9.92 C:126 18.53 -10.57 C:173 19.71 -11.27 C:166 13.72 -9.17 C:47 12.52 -8.49 C:45 12.52 -11.27 C:45 13.72 -10.57 1 14 2 2 12 1 17 3 -2 4 13 2 5 13 1 6 7 1 6 12 2 7 10 1 8 9 1 8 15 1 9 16 1 10 17 1 15 11 -1 16 11 -1 12 13 1 14 15 1 14 17 1 16 17 1', 'C15H22O2', 234.159, 'C', 'np05_1805_6', 3241, '', '', '1', 1, NULL, NULL),
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(12553, '', '6,7-Epoxybisabola-2,11-diene', 'Terpenoids', 'Sesquiterpenoids', 'Bisabolanes', '[CH2:12]=[C:11]([CH3:13])[CH2:10][CH2:9][CH2:8][C:7]1([CH3:14])O[C:6]12[CH2:1][CH:2]=[C:3]([CH3:15])[CH2:4][CH2:5]2', 'C=C(C)CCCC1(C)OC12CC=C(C)CC2', '[CH2:111]=[C:146]([CH3:23])[CH2:39][CH2:24][CH2:35][C:64]1([CH3:19])O[C:63]12[CH2:29][CH:120]=[C:135]([CH3:24])[CH2:27][CH2:32]2', '16 17 C:12 20.36 -8.50 C:13 21.58 -10.59 C:15 10.64 -12.69 C:14 15.49 -8.50 C:2 11.86 -10.59 C:9 17.92 -9.88 C:1 13.05 -9.88 C:10 19.17 -10.59 C:4 13.05 -12.69 C:8 16.70 -10.59 C:5 14.28 -11.98 O 14.28 -9.19 C:11 20.36 -9.88 C:3 11.86 -11.98 C:7 15.49 -9.88 C:6 14.28 -10.59 1 13 2 2 13 1 3 14 1 4 15 1 5 7 1 5 14 2 6 8 1 6 10 1 7 16 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 12 15 1 12 16 1 15 16 1', '16 17 C 20.36 -8.50 C 21.58 -10.59 C 10.64 -12.69 C 15.49 -8.50 C 11.86 -10.59 C 17.92 -9.88 C 13.05 -9.88 C 19.17 -10.59 C 13.05 -12.69 C 16.70 -10.59 C 14.28 -11.98 O 14.28 -9.19 C 20.36 -9.88 C 11.86 -11.98 C 15.49 -9.88 C 14.28 -10.59 1 13 2 2 13 1 3 14 1 4 15 1 5 7 1 5 14 2 6 8 1 6 10 1 7 16 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 12 15 1 12 16 1 15 16 1', '16 17 C:111 20.36 -8.50 C:23 21.58 -10.59 C:24 10.64 -12.69 C:19 15.49 -8.50 C:120 11.86 -10.59 C:24 17.92 -9.88 C:29 13.05 -9.88 C:39 19.17 -10.59 C:27 13.05 -12.69 C:35 16.70 -10.59 C:32 14.28 -11.98 O 14.28 -9.19 C:146 20.36 -9.88 C:135 11.86 -11.98 C:64 15.49 -9.88 C:63 14.28 -10.59 1 13 2 2 13 1 3 14 1 4 15 1 5 7 1 5 14 2 6 8 1 6 10 1 7 16 1 8 13 1 9 11 1 9 14 1 10 15 1 11 16 1 12 15 1 12 16 1 15 16 1', 'C15H24O', 220.16, 'B', 'ph66_941_6', 3244, '', '', '1', 1, NULL, NULL),
(12554, '', '1-Methoxy-4-(2-methylpropenyl)benzene', 'Aromatics', 'Phenyl-alkanoids', 'Phenylisobutanoids', '[CH3:4001]O[c:4]1[cH:5][cH:6][c:1]([CH:7]=[C:8]([CH3:9])[CH3:10])[cH:2][cH:3]1', 'COc1ccc(C=C(C)C)cc1', '[CH3:55]O[c:159]1[cH:114][cH:130][c:132]([CH:126]=[C:134]([CH3:27])[CH3:27])[cH:130][cH:114]1', '12 12 C:4001 11.89 -11.30 C:9 20.39 -9.20 C:10 19.17 -11.30 C:7 17.97 -9.20 C:6 15.53 -9.20 C:2 16.74 -11.30 C:5 14.32 -9.90 C:3 15.53 -12.00 O 13.11 -12.00 C:8 19.17 -9.90 C:1 16.74 -9.90 C:4 14.32 -11.30 1 9 1 2 10 1 3 10 1 4 10 2 4 11 1 5 7 1 5 11 2 6 8 2 6 11 1 7 12 2 8 12 1 9 12 1', '12 12 C 11.89 -11.30 C 20.39 -9.20 C 19.17 -11.30 C 17.97 -9.20 C 15.53 -9.20 C 16.74 -11.30 C 14.32 -9.90 C 15.53 -12.00 O 13.11 -12.00 C 19.17 -9.90 C 16.74 -9.90 C 14.32 -11.30 1 9 1 2 10 1 3 10 1 4 10 2 4 11 1 5 7 1 5 11 2 6 8 2 6 11 1 7 12 2 8 12 1 9 12 1', '12 12 C:55 11.89 -11.30 C:27 20.39 -9.20 C:27 19.17 -11.30 C:126 17.97 -9.20 C:130 15.53 -9.20 C:130 16.74 -11.30 C:114 14.32 -9.90 C:114 15.53 -12.00 O 13.11 -12.00 C:134 19.17 -9.90 C:132 16.74 -9.90 C:159 14.32 -11.30 1 9 1 2 10 1 3 10 1 4 10 2 4 11 1 5 7 1 5 11 2 6 8 2 6 11 1 7 12 2 8 12 1 9 12 1', 'C11H14O', 162.117, 'B', 'ph66_941_7', 3244, '', '', '1', 1, NULL, NULL),
(12555, '', 'b-Helmiscapene', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:5]12[CH2:6][C@@H:7]([C:11](=[CH2:12])[CH3:13])[CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][CH2:3][C:4]2=[CH2:15]', '[H][C@]12C[C@@H](C(=C)C)CC[C@@]1(C)CCCC2=C', '[H][C@:53]12[CH2:34][C@@H:46]([C:150](=[CH2:109])[CH3:21])[CH2:27][CH2:30][C@@:34]1([CH3:28])[CH2:41][CH2:24][CH2:31][C:150]2=[CH2:109]', '16 17 H 14.91 -11.96 C:12 18.61 -13.08 C:15 13.68 -13.08 C:13 19.81 -10.95 C:14 14.91 -8.09 C:2 12.44 -9.52 C:3 12.44 -10.95 C:8 17.39 -9.52 C:1 13.68 -8.80 C:9 16.14 -8.80 C:6 16.14 -11.66 C:11 18.61 -11.66 C:4 13.68 -11.66 C:7 17.39 -10.95 C:5 14.91 -10.95 C:10 14.91 -9.52 15 1 -1 2 12 2 3 13 2 4 12 1 16 5 -1 6 7 1 6 9 1 7 13 1 8 10 1 8 14 1 9 16 1 10 16 1 11 14 1 11 15 1 14 12 -2 13 15 1 15 16 1', '16 17 H 14.91 -11.96 C 18.61 -13.08 C 13.68 -13.08 C 19.81 -10.95 C 14.91 -8.09 C 12.44 -9.52 C 12.44 -10.95 C 17.39 -9.52 C 13.68 -8.80 C 16.14 -8.80 C 16.14 -11.66 C 18.61 -11.66 C 13.68 -11.66 C 17.39 -10.95 C 14.91 -10.95 C 14.91 -9.52 15 1 -1 2 12 2 3 13 2 4 12 1 16 5 -1 6 7 1 6 9 1 7 13 1 8 10 1 8 14 1 9 16 1 10 16 1 11 14 1 11 15 1 14 12 -2 13 15 1 15 16 1', '16 17 H 14.91 -11.96 C:109 18.61 -13.08 C:109 13.68 -13.08 C:21 19.81 -10.95 C:28 14.91 -8.09 C:24 12.44 -9.52 C:31 12.44 -10.95 C:27 17.39 -9.52 C:41 13.68 -8.80 C:30 16.14 -8.80 C:34 16.14 -11.66 C:150 18.61 -11.66 C:150 13.68 -11.66 C:46 17.39 -10.95 C:53 14.91 -10.95 C:34 14.91 -9.52 15 1 -1 2 12 2 3 13 2 4 12 1 16 5 -1 6 7 1 6 9 1 7 13 1 8 10 1 8 14 1 9 16 1 10 16 1 11 14 1 11 15 1 14 12 -2 13 15 1 15 16 1', 'C15H24', 204.168, 'B', 'ph66_941_11', 3244, '', '', '1', 1, NULL, NULL),
(12556, '', '1-Hydroxy-2-methoxy-1,2,3,4-dehydro-6-dehydroxycacalone', 'Terpenoids', 'Sesquiterpenoids', 'Cacalols', '[CH3:2001]O[c:2]3[cH:3][c:4]([CH3:15])[c:5]2[c:10]([C:9](=O)[c:8]1o[cH:12][c:11]([CH3:13])[c:7]1[CH:6]2[CH3:14])[c:1]3O', 'COc3cc(C)c2c(C(=O)c1occ(C)c1C2C)c3O', '[CH3:56]O[c:146]3[cH:119][c:125]([CH3:19])[c:136]2[c:116]([C:179](=O)[c:145]1o[cH:146][c:121]([CH3:88])[c:144]1[CH:31]2[CH3:22])[c:152]3O', '20 22 C:2001 12.02 -7.79 C:13 19.84 -13.06 C:15 14.44 -13.39 C:14 16.87 -13.39 O 16.87 -7.79 O 14.44 -7.79 C:12 20.24 -10.59 C:3 13.23 -11.29 O 12.02 -9.19 O 19.40 -9.46 C:9 16.87 -9.19 C:11 19.40 -11.72 C:4 14.44 -11.99 C:2 13.23 -9.89 C:1 14.44 -9.19 C:8 18.07 -9.89 C:10 15.65 -9.89 C:7 18.07 -11.29 C:5 15.65 -11.29 C:6 16.87 -11.99 1 9 1 2 12 1 3 13 1 4 20 1 5 11 2 6 15 1 7 10 1 7 12 2 8 13 2 8 14 1 9 14 1 10 16 1 11 16 1 11 17 1 12 18 1 13 19 1 14 15 2 15 17 1 16 18 2 17 19 2 18 20 1 19 20 1', '20 22 C 12.02 -7.79 C 19.84 -13.06 C 14.44 -13.39 C 16.87 -13.39 O 16.87 -7.79 O 14.44 -7.79 C 20.24 -10.59 C 13.23 -11.29 O 12.02 -9.19 O 19.40 -9.46 C 16.87 -9.19 C 19.40 -11.72 C 14.44 -11.99 C 13.23 -9.89 C 14.44 -9.19 C 18.07 -9.89 C 15.65 -9.89 C 18.07 -11.29 C 15.65 -11.29 C 16.87 -11.99 1 9 1 2 12 1 3 13 1 4 20 1 5 11 2 6 15 1 7 10 1 7 12 2 8 13 2 8 14 1 9 14 1 10 16 1 11 16 1 11 17 1 12 18 1 13 19 1 14 15 2 15 17 1 16 18 2 17 19 2 18 20 1 19 20 1', '20 22 C:56 12.02 -7.79 C:8 19.84 -13.06 C:19 14.44 -13.39 C:22 16.87 -13.39 O 16.87 -7.79 O 14.44 -7.79 C:146 20.24 -10.59 C:119 13.23 -11.29 O 12.02 -9.19 O 19.40 -9.46 C:179 16.87 -9.19 C:121 19.40 -11.72 C:125 14.44 -11.99 C:146 13.23 -9.89 C:152 14.44 -9.19 C:145 18.07 -9.89 C:116 15.65 -9.89 C:144 18.07 -11.29 C:136 15.65 -11.29 C:31 16.87 -11.99 1 9 1 2 12 1 3 13 1 4 20 1 5 11 2 6 15 1 7 10 1 7 12 2 8 13 2 8 14 1 9 14 1 10 16 1 11 16 1 11 17 1 12 18 1 13 19 1 14 15 2 15 17 1 16 18 2 17 19 2 18 20 1 19 20 1', 'C16H16O4', 272.169, 'C', 'np01_518_2', 3245, '', '', '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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(12580, '', '(4S)-13-hydroxycadin-10(15)-en-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Cadinanes', '[H][C@@:1]12[CH2:2][C:3](=O)[C@@H:4]([CH3:14])[CH2:5][C@@:6]1([H])[C@H:7]([CH:11]([CH3:12])[CH2:13]O)[CH2:8][CH2:9][C:10]2=[CH2:15]', '[H][C@@]12CC(=O)[C@@H](C)C[C@@]1([H])[C@H](C(C)CO)CCC2=C', '[H][C@@:44]12[CH2:44][C:213](=O)[C@@H:48]([CH3:10])[CH2:35][C@@:44]1([H])[C@H:42]([CH:39]([CH3:14])[CH2:67]O)[CH2:26][CH2:36][C:151]2=[CH2:105]', '19 20 H 16.73 -7.73 H 16.73 -11.29 C:15 17.98 -6.64 C:14 12.98 -10.97 C:12 16.73 -13.13 O 12.98 -8.12 O 19.23 -14.53 C:13 19.23 -13.13 C:9 19.23 -8.81 C:8 19.23 -10.24 C:2 15.48 -8.12 C:5 15.48 -10.97 C:10 17.98 -8.12 C:3 14.24 -8.81 C:4 14.24 -10.24 C:11 17.98 -12.41 C:7 17.98 -10.97 C:1 16.73 -8.81 C:6 16.73 -10.24 18 1 -2 19 2 -1 3 13 2 15 4 -2 5 16 1 6 14 2 7 8 1 8 16 1 9 10 1 9 13 1 10 17 1 11 14 1 11 18 1 12 15 1 12 19 1 13 18 1 14 15 1 17 16 -1 17 19 1 18 19 1', '19 20 H 16.73 -7.73 H 16.73 -11.29 C 17.98 -6.64 C 12.98 -10.97 C 16.73 -13.13 O 12.98 -8.12 O 19.23 -14.53 C 19.23 -13.13 C 19.23 -8.81 C 19.23 -10.24 C 15.48 -8.12 C 15.48 -10.97 C 17.98 -8.12 C 14.24 -8.81 C 14.24 -10.24 C 17.98 -12.41 C 17.98 -10.97 C 16.73 -8.81 C 16.73 -10.24 18 1 -2 19 2 -1 3 13 2 15 4 -2 5 16 1 6 14 2 7 8 1 8 16 1 9 10 1 9 13 1 10 17 1 11 14 1 11 18 1 12 15 1 12 19 1 13 18 1 14 15 1 17 16 -1 17 19 1 18 19 1', '19 20 H 16.73 -7.73 H 16.73 -11.29 C:105 17.98 -6.64 C:10 12.98 -10.97 C:14 16.73 -13.13 O 12.98 -8.12 O 19.23 -14.53 C:67 19.23 -13.13 C:36 19.23 -8.81 C:26 19.23 -10.24 C:44 15.48 -8.12 C:35 15.48 -10.97 C:151 17.98 -8.12 C:213 14.24 -8.81 C:48 14.24 -10.24 C:39 17.98 -12.41 C:42 17.98 -10.97 C:44 16.73 -8.81 C:44 16.73 -10.24 18 1 -2 19 2 -1 3 13 2 15 4 -2 5 16 1 6 14 2 7 8 1 8 16 1 9 10 1 9 13 1 10 17 1 11 14 1 11 18 1 12 15 1 12 19 1 13 18 1 14 15 1 17 16 -1 17 19 1 18 19 1', 'C15H24O2', 236.175, 'C', 'ph54_39_10', 3247, '', '', '1', 1, NULL, NULL),
(12581, '', '14-Hydroxycadina-4,10(15)-dien-3-one', 'Terpenoids', 'Sesquiterpenoids', 'Cadinanes', '[H][C@@:1]12[CH2:2][C:3](=O)[C:4]([CH3:14])=[CH:5][C@@:6]1([H])[C@:7]([H])([C@H:11]([CH3:12])[CH2:13]O)[CH2:8][CH2:9][C:10]2=[CH2:15]', '[H][C@@]12CC(=O)C(C)=C[C@@]1([H])[C@]([H])([C@H](C)CO)CCC2=C', '[H][C@@:45]12[CH2:41][C:200](=O)[C:136]([CH3:16])=[CH:146][C@@:45]1([H])[C@:40]([H])([C@H:35]([CH3:10])[CH2:66]O)[CH2:27][CH2:35][C:150]2=[CH2:106]', '20 21 H 16.74 -7.61 H 16.74 -11.23 H 17.25 -11.42 C:15 18.02 -6.60 C:14 12.91 -10.92 C:12 16.74 -13.13 O 12.99 -8.00 O 19.31 -14.57 C:5 15.48 -10.92 C:13 19.31 -13.13 C:9 19.31 -8.70 C:8 19.31 -10.17 C:2 15.48 -8.00 C:4 14.20 -10.17 C:10 18.02 -8.00 C:3 14.20 -8.70 C:11 18.02 -12.39 C:1 16.74 -8.70 C:6 16.74 -10.17 C:7 18.02 -10.92 18 1 -2 19 2 -1 20 3 -2 4 15 2 5 14 1 17 6 -1 7 16 2 8 10 1 9 14 2 9 19 1 10 17 1 11 12 1 11 15 1 12 20 1 13 16 1 13 18 1 14 16 1 15 18 1 17 20 1 18 19 1 19 20 1', '20 21 H 16.74 -7.61 H 16.74 -11.23 H 17.25 -11.42 C 18.02 -6.60 C 12.91 -10.92 C 16.74 -13.13 O 12.99 -8.00 O 19.31 -14.57 C 15.48 -10.92 C 19.31 -13.13 C 19.31 -8.70 C 19.31 -10.17 C 15.48 -8.00 C 14.20 -10.17 C 18.02 -8.00 C 14.20 -8.70 C 18.02 -12.39 C 16.74 -8.70 C 16.74 -10.17 C 18.02 -10.92 18 1 -2 19 2 -1 20 3 -2 4 15 2 5 14 1 17 6 -1 7 16 2 8 10 1 9 14 2 9 19 1 10 17 1 11 12 1 11 15 1 12 20 1 13 16 1 13 18 1 14 16 1 15 18 1 17 20 1 18 19 1 19 20 1', '20 21 H 16.74 -7.61 H 16.74 -11.23 H 17.25 -11.42 C:106 18.02 -6.60 C:16 12.91 -10.92 C:10 16.74 -13.13 O 12.99 -8.00 O 19.31 -14.57 C:146 15.48 -10.92 C:66 19.31 -13.13 C:35 19.31 -8.70 C:27 19.31 -10.17 C:41 15.48 -8.00 C:136 14.20 -10.17 C:150 18.02 -8.00 C:200 14.20 -8.70 C:35 18.02 -12.39 C:45 16.74 -8.70 C:45 16.74 -10.17 C:40 18.02 -10.92 18 1 -2 19 2 -1 20 3 -2 4 15 2 5 14 1 17 6 -1 7 16 2 8 10 1 9 14 2 9 19 1 10 17 1 11 12 1 11 15 1 12 20 1 13 16 1 13 18 1 14 16 1 15 18 1 17 20 1 18 19 1 19 20 1', 'C15H22O2', 234.183, 'C', 'ph59_479_2', 3248, '', '', '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
(12582, '', '(4S)-3a,12-Dihydroxycadin-10(15)-ene', 'Terpenoids', 'Sesquiterpenoids', 'Cadinanes', '[H][C@@:1]12[CH2:2][C@@H:3](O)[C@@H:4]([CH3:14])[CH2:5][C@@:6]1([H])[C@H:7]([C:11]([CH3:12])([CH3:13])O)[CH2:8][CH2:9][C:10]2=[CH2:15]', '[H][C@@]12C[C@@H](O)[C@@H](C)C[C@@]1([H])[C@H](C(C)(C)O)CCC2=C', '[H][C@@:46]12[CH2:37][C@@H:70](O)[C@@H:36]([CH3:19])[CH2:34][C@@:39]1([H])[C@H:53]([C:74]([CH3:24])([CH3:32])O)[CH2:31][CH2:36][C:153]2=[CH2:104]', '19 20 H 16.75 -8.08 H 16.75 -11.63 C:15 18.00 -6.99 C:14 12.99 -11.31 C:12 16.75 -13.48 C:13 19.25 -13.48 O 12.99 -8.47 O 18.00 -14.16 C:9 19.25 -9.15 C:8 19.25 -10.58 C:5 15.50 -11.31 C:2 15.50 -8.47 C:10 18.00 -8.47 C:4 14.26 -10.58 C:3 14.26 -9.15 C:7 18.00 -11.31 C:11 18.00 -12.75 C:1 16.75 -9.15 C:6 16.75 -10.58 18 1 -2 19 2 -1 3 13 2 14 4 -2 5 17 1 6 17 1 15 7 -2 8 17 1 9 10 1 9 13 1 10 16 1 11 14 1 11 19 1 12 15 1 12 18 1 13 18 1 14 15 1 16 17 -1 16 19 1 18 19 1', '19 20 H 16.75 -8.08 H 16.75 -11.63 C 18.00 -6.99 C 12.99 -11.31 C 16.75 -13.48 C 19.25 -13.48 O 12.99 -8.47 O 18.00 -14.16 C 19.25 -9.15 C 19.25 -10.58 C 15.50 -11.31 C 15.50 -8.47 C 18.00 -8.47 C 14.26 -10.58 C 14.26 -9.15 C 18.00 -11.31 C 18.00 -12.75 C 16.75 -9.15 C 16.75 -10.58 18 1 -2 19 2 -1 3 13 2 14 4 -2 5 17 1 6 17 1 15 7 -2 8 17 1 9 10 1 9 13 1 10 16 1 11 14 1 11 19 1 12 15 1 12 18 1 13 18 1 14 15 1 16 17 -1 16 19 1 18 19 1', '19 20 H 16.75 -8.08 H 16.75 -11.63 C:104 18.00 -6.99 C:19 12.99 -11.31 C:24 16.75 -13.48 C:32 19.25 -13.48 O 12.99 -8.47 O 18.00 -14.16 C:36 19.25 -9.15 C:31 19.25 -10.58 C:34 15.50 -11.31 C:37 15.50 -8.47 C:153 18.00 -8.47 C:36 14.26 -10.58 C:70 14.26 -9.15 C:53 18.00 -11.31 C:74 18.00 -12.75 C:46 16.75 -9.15 C:39 16.75 -10.58 18 1 -2 19 2 -1 3 13 2 14 4 -2 5 17 1 6 17 1 15 7 -2 8 17 1 9 10 1 9 13 1 10 16 1 11 14 1 11 19 1 12 15 1 12 18 1 13 18 1 14 15 1 16 17 -1 16 19 1 18 19 1', 'C15H26O2', 238.175, 'C', 'ph59_479_6', 3248, '', '', '1', 1, NULL, NULL),
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(12602, 'Macrophyllic acid D', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[CH3:14][C@:10]13[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:15])O[C@:5]12[CH2:6][C@H:7]([CH:11]=[CH:12][C:13](=O)O)[CH2:8][CH2:9]3', 'C[C@]13CCC[C@]2(C)O[C@]12C[C@H](C=CC(=O)O)CC3', '[CH3:23][C@:34]13[CH2:36][CH2:17][CH2:31][C@:64]2([CH3:21])O[C@:68]12[CH2:32][C@H:40]([CH:155]=[CH:119][C:171](=O)O)[CH2:27][CH2:36]3', '18 20 C:14 13.68 -8.16 C:15 12.56 -13.00 O 19.83 -12.88 O 21.00 -10.72 C:12 18.59 -10.83 C:11 17.42 -11.63 C:2 11.29 -9.54 C:8 16.17 -9.54 C:1 12.56 -8.82 C:3 11.29 -10.93 C:9 14.89 -8.82 C:6 14.89 -11.63 O 13.68 -12.33 C:13 19.83 -11.48 C:7 16.17 -10.93 C:10 13.68 -9.54 C:4 12.56 -11.63 C:5 13.68 -10.93 16 1 -1 17 2 -2 3 14 2 4 14 1 5 6 2 5 14 1 15 6 -1 7 9 1 7 10 1 8 11 1 8 15 1 9 16 1 10 17 1 11 16 1 12 15 1 12 18 1 13 17 1 18 13 -1 16 18 1 17 18 1', '18 20 C 13.68 -8.16 C 12.56 -13.00 O 19.83 -12.88 O 21.00 -10.72 C 18.59 -10.83 C 17.42 -11.63 C 11.29 -9.54 C 16.17 -9.54 C 12.56 -8.82 C 11.29 -10.93 C 14.89 -8.82 C 14.89 -11.63 O 13.68 -12.33 C 19.83 -11.48 C 16.17 -10.93 C 13.68 -9.54 C 12.56 -11.63 C 13.68 -10.93 16 1 -1 17 2 -2 3 14 2 4 14 1 5 6 2 5 14 1 15 6 -1 7 9 1 7 10 1 8 11 1 8 15 1 9 16 1 10 17 1 11 16 1 12 15 1 12 18 1 13 17 1 18 13 -1 16 18 1 17 18 1', '18 20 C:23 13.68 -8.16 C:21 12.56 -13.00 O 19.83 -12.88 O 21.00 -10.72 C:119 18.59 -10.83 C:155 17.42 -11.63 C:17 11.29 -9.54 C:27 16.17 -9.54 C:36 12.56 -8.82 C:31 11.29 -10.93 C:36 14.89 -8.82 C:32 14.89 -11.63 O 13.68 -12.33 C:171 19.83 -11.48 C:40 16.17 -10.93 C:34 13.68 -9.54 C:64 12.56 -11.63 C:68 13.68 -10.93 16 1 -1 17 2 -2 3 14 2 4 14 1 5 6 2 5 14 1 15 6 -1 7 9 1 7 10 1 8 11 1 8 15 1 9 16 1 10 17 1 11 16 1 12 15 1 12 18 1 13 17 1 18 13 -1 16 18 1 17 18 1', 'C15H22O3', 250.159, 'C', 'np01_466_4', 3250, '', '', '1', 1, NULL, NULL),
(12603, 'Macrophyllic acid E', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[CH3:14][C@:10]13[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:15])O[C@@:5]12[CH2:6][C@H:7]([CH:11]=[CH:12][C:13](=O)O)[CH2:8][CH2:9]3', 'C[C@]13CCC[C@@]2(C)O[C@@]12C[C@H](C=CC(=O)O)CC3', '[CH3:21][C@:33]13[CH2:34][CH2:16][CH2:29][C@@:64]2([CH3:21])O[C@@:69]12[CH2:31][C@H:39]([CH:156]=[CH:119][C:172](=O)O)[CH2:27][CH2:37]3', '18 20 C:14 13.64 -8.18 C:15 12.52 -13.02 O 19.80 -12.90 O 20.97 -10.74 C:12 18.56 -10.85 C:11 17.39 -11.65 C:2 11.25 -9.56 C:8 16.13 -9.56 C:1 12.52 -8.84 C:3 11.25 -10.95 C:9 14.85 -8.84 C:6 14.85 -11.65 O 13.64 -12.35 C:13 19.80 -11.50 C:7 16.13 -10.95 C:10 13.64 -9.56 C:4 12.52 -11.65 C:5 13.64 -10.95 16 1 -1 17 2 -1 3 14 2 4 14 1 5 6 2 5 14 1 15 6 -1 7 9 1 7 10 1 8 11 1 8 15 1 9 16 1 10 17 1 11 16 1 12 15 1 12 18 1 13 17 1 18 13 -2 16 18 1 17 18 1', '18 20 C 13.64 -8.18 C 12.52 -13.02 O 19.80 -12.90 O 20.97 -10.74 C 18.56 -10.85 C 17.39 -11.65 C 11.25 -9.56 C 16.13 -9.56 C 12.52 -8.84 C 11.25 -10.95 C 14.85 -8.84 C 14.85 -11.65 O 13.64 -12.35 C 19.80 -11.50 C 16.13 -10.95 C 13.64 -9.56 C 12.52 -11.65 C 13.64 -10.95 16 1 -1 17 2 -1 3 14 2 4 14 1 5 6 2 5 14 1 15 6 -1 7 9 1 7 10 1 8 11 1 8 15 1 9 16 1 10 17 1 11 16 1 12 15 1 12 18 1 13 17 1 18 13 -2 16 18 1 17 18 1', '18 20 C:21 13.64 -8.18 C:21 12.52 -13.02 O 19.80 -12.90 O 20.97 -10.74 C:119 18.56 -10.85 C:156 17.39 -11.65 C:16 11.25 -9.56 C:27 16.13 -9.56 C:34 12.52 -8.84 C:29 11.25 -10.95 C:37 14.85 -8.84 C:31 14.85 -11.65 O 13.64 -12.35 C:172 19.80 -11.50 C:39 16.13 -10.95 C:33 13.64 -9.56 C:64 12.52 -11.65 C:69 13.64 -10.95 16 1 -1 17 2 -1 3 14 2 4 14 1 5 6 2 5 14 1 15 6 -1 7 9 1 7 10 1 8 11 1 8 15 1 9 16 1 10 17 1 11 16 1 12 15 1 12 18 1 13 17 1 18 13 -2 16 18 1 17 18 1', 'C15H22O3', 250.159, 'C', 'np01_466_5', 3250, '', '', '1', 1, NULL, NULL),
(12604, '11a,13-Dihydroalantolactone', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:7]23[CH:6]=[C:5]1[C@@H:4]([CH3:15])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][C@@:8]2([H])O[C:12](=O)[C@H:11]3[CH3:13]', '[H][C@]23C=C1[C@@H](C)CCC[C@]1(C)C[C@@]2([H])OC(=O)[C@H]3C', '[H][C@:39]23[CH:116]=[C:151]1[C@@H:39]([CH3:29])[CH2:33][CH2:17][CH2:42][C@:33]1([CH3:23])[CH2:43][C@@:77]2([H])O[C:179](=O)[C@H:41]3[CH3:11]', '19 21 H 16.83 -11.97 H 16.83 -8.48 C:15 13.04 -13.12 C:13 18.63 -12.72 C:14 14.28 -8.05 O 20.45 -10.23 C:6 15.57 -11.67 C:2 11.80 -9.50 C:3 11.80 -10.96 C:1 13.04 -8.78 C:9 15.57 -8.78 O 18.18 -9.09 C:12 19.02 -10.23 C:5 14.28 -10.96 C:4 13.04 -11.67 C:11 18.18 -11.37 C:7 16.83 -10.96 C:10 14.28 -9.50 C:8 16.83 -9.50 17 1 -2 19 2 -2 15 3 -1 16 4 -1 18 5 -1 6 13 2 7 14 2 7 17 1 8 9 1 8 10 1 9 15 1 10 18 1 11 18 1 11 19 1 12 13 1 12 19 1 13 16 1 14 15 1 14 18 1 16 17 1 17 19 1', '19 21 H 16.83 -11.97 H 16.83 -8.48 C 13.04 -13.12 C 18.63 -12.72 C 14.28 -8.05 O 20.45 -10.23 C 15.57 -11.67 C 11.80 -9.50 C 11.80 -10.96 C 13.04 -8.78 C 15.57 -8.78 O 18.18 -9.09 C 19.02 -10.23 C 14.28 -10.96 C 13.04 -11.67 C 18.18 -11.37 C 16.83 -10.96 C 14.28 -9.50 C 16.83 -9.50 17 1 -2 19 2 -2 15 3 -1 16 4 -1 18 5 -1 6 13 2 7 14 2 7 17 1 8 9 1 8 10 1 9 15 1 10 18 1 11 18 1 11 19 1 12 13 1 12 19 1 13 16 1 14 15 1 14 18 1 16 17 1 17 19 1', '19 21 H 16.83 -11.97 H 16.83 -8.48 C:29 13.04 -13.12 C:11 18.63 -12.72 C:23 14.28 -8.05 O 20.45 -10.23 C:116 15.57 -11.67 C:17 11.80 -9.50 C:33 11.80 -10.96 C:42 13.04 -8.78 C:43 15.57 -8.78 O 18.18 -9.09 C:179 19.02 -10.23 C:151 14.28 -10.96 C:39 13.04 -11.67 C:41 18.18 -11.37 C:39 16.83 -10.96 C:33 14.28 -9.50 C:77 16.83 -9.50 17 1 -2 19 2 -2 15 3 -1 16 4 -1 18 5 -1 6 13 2 7 14 2 7 17 1 8 9 1 8 10 1 9 15 1 10 18 1 11 18 1 11 19 1 12 13 1 12 19 1 13 16 1 14 15 1 14 18 1 16 17 1 17 19 1', 'C15H22O2', 234.175, 'C', 'np01_466_6', 3250, '', '', '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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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
(12641, '', '4-Oxo-cyperan-3a,7a,11-triol', 'Terpenoids', 'Sesquiterpenoids', 'Cyperanes', '[CH3:15][C:4](=O)[C@:5]12[CH2:6][C@:7](O)([C:11]([CH3:12])([CH3:13])O)[CH2:8][CH2:9][C@@:10]1([CH3:14])[CH2:1][CH2:2][C@@H:3]2O', 'CC(=O)[C@]12C[C@](O)(C(C)(C)O)CC[C@@]1(C)CC[C@@H]2O', '[CH3:30][C:212](=O)[C@:66]12[CH2:30][C@:74](O)([C:76]([CH3:25])([CH3:25])O)[CH2:27][CH2:34][C@@:43]1([CH3:23])[CH2:38][CH2:33][C@@H:78]2O', '19 20 C:15 18.50 -12.87 C:12 12.76 -11.99 C:13 14.86 -13.19 C:14 17.28 -7.96 O 16.06 -12.87 O 19.06 -12.52 O 13.46 -13.19 O 13.46 -10.77 C:2 19.45 -10.07 C:1 18.62 -8.94 C:9 16.06 -8.67 C:8 14.86 -9.37 C:6 16.06 -11.46 C:4 17.28 -12.17 C:3 18.62 -11.19 C:11 14.15 -11.99 C:10 17.28 -9.37 C:7 14.86 -10.77 C:5 17.28 -10.77 1 14 1 2 16 1 3 16 1 17 4 -2 5 14 2 15 6 -2 7 16 1 18 8 -1 9 10 1 9 15 1 10 17 1 11 12 1 11 17 1 12 18 1 13 18 1 13 19 1 19 14 -2 15 19 1 18 16 -2 17 19 1', '19 20 C 18.50 -12.87 C 12.76 -11.99 C 14.86 -13.19 C 17.28 -7.96 O 16.06 -12.87 O 19.06 -12.52 O 13.46 -13.19 O 13.46 -10.77 C 19.45 -10.07 C 18.62 -8.94 C 16.06 -8.67 C 14.86 -9.37 C 16.06 -11.46 C 17.28 -12.17 C 18.62 -11.19 C 14.15 -11.99 C 17.28 -9.37 C 14.86 -10.77 C 17.28 -10.77 1 14 1 2 16 1 3 16 1 17 4 -2 5 14 2 15 6 -2 7 16 1 18 8 -1 9 10 1 9 15 1 10 17 1 11 12 1 11 17 1 12 18 1 13 18 1 13 19 1 19 14 -2 15 19 1 18 16 -2 17 19 1', '19 20 C:30 18.50 -12.87 C:25 12.76 -11.99 C:25 14.86 -13.19 C:23 17.28 -7.96 O 16.06 -12.87 O 19.06 -12.52 O 13.46 -13.19 O 13.46 -10.77 C:33 19.45 -10.07 C:38 18.62 -8.94 C:34 16.06 -8.67 C:27 14.86 -9.37 C:30 16.06 -11.46 C:212 17.28 -12.17 C:78 18.62 -11.19 C:76 14.15 -11.99 C:43 17.28 -9.37 C:74 14.86 -10.77 C:66 17.28 -10.77 1 14 1 2 16 1 3 16 1 17 4 -2 5 14 2 15 6 -2 7 16 1 18 8 -1 9 10 1 9 15 1 10 17 1 11 12 1 11 17 1 12 18 1 13 18 1 13 19 1 19 14 -2 15 19 1 18 16 -2 17 19 1', 'C15H26O4', 270.158, 'C', 'ph52_1515_4', 3258, '', '', '1', 1, NULL, NULL),
(12642, '(-)7-epi-Isojunenol', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:5]12[C:4]([CH3:15])=[CH:3][CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][CH2:8][C@H:7]([CH:11]([CH3:13])[CH3:12])[C@@H:6]2O', '[H][C@]12C(C)=CCC[C@]1(C)CC[C@H](C(C)C)[C@@H]2O', '[H][C@:50]12[C:135]([CH3:23])=[CH:123][CH2:23][CH2:40][C@:32]1([CH3:22])[CH2:38][CH2:20][C@H:46]([CH:27]([CH3:22])[CH3:22])[C@@H:70]2O', '17 18 H 14.89 -11.95 C:15 13.66 -13.06 C:13 19.80 -10.94 C:12 18.58 -13.06 C:14 14.89 -8.08 O 16.13 -13.06 C:3 12.43 -10.94 C:2 12.43 -9.51 C:8 17.36 -9.51 C:1 13.66 -8.79 C:9 16.13 -8.79 C:4 13.66 -11.65 C:11 18.58 -11.65 C:6 16.13 -11.65 C:7 17.36 -10.94 C:10 14.89 -9.51 C:5 14.89 -10.94 17 1 -2 2 12 1 3 13 1 4 13 1 16 5 -1 14 6 -2 7 8 1 7 12 2 8 10 1 9 11 1 9 15 1 10 16 1 11 16 1 12 17 1 15 13 -2 14 15 1 14 17 1 16 17 1', '17 18 H 14.89 -11.95 C 13.66 -13.06 C 19.80 -10.94 C 18.58 -13.06 C 14.89 -8.08 O 16.13 -13.06 C 12.43 -10.94 C 12.43 -9.51 C 17.36 -9.51 C 13.66 -8.79 C 16.13 -8.79 C 13.66 -11.65 C 18.58 -11.65 C 16.13 -11.65 C 17.36 -10.94 C 14.89 -9.51 C 14.89 -10.94 17 1 -2 2 12 1 3 13 1 4 13 1 16 5 -1 14 6 -2 7 8 1 7 12 2 8 10 1 9 11 1 9 15 1 10 16 1 11 16 1 12 17 1 15 13 -2 14 15 1 14 17 1 16 17 1', '17 18 H 14.89 -11.95 C:23 13.66 -13.06 C:22 19.80 -10.94 C:22 18.58 -13.06 C:22 14.89 -8.08 O 16.13 -13.06 C:123 12.43 -10.94 C:23 12.43 -9.51 C:20 17.36 -9.51 C:40 13.66 -8.79 C:38 16.13 -8.79 C:135 13.66 -11.65 C:27 18.58 -11.65 C:70 16.13 -11.65 C:46 17.36 -10.94 C:32 14.89 -9.51 C:50 14.89 -10.94 17 1 -2 2 12 1 3 13 1 4 13 1 16 5 -1 14 6 -2 7 8 1 7 12 2 8 10 1 9 11 1 9 15 1 10 16 1 11 16 1 12 17 1 15 13 -2 14 15 1 14 17 1 16 17 1', 'C15H26O', 222.168, 'C', 'ph52_1519_1', 3259, '', '', '1', 1, NULL, NULL),
(12643, '(+)7-epi-Junenol', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@:5]12[C:4](=[CH2:15])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:14])[CH2:9][CH2:8][C@H:7]([CH:11]([CH3:12])[CH3:13])[C@@H:6]2O', '[H][C@]12C(=C)CCC[C@]1(C)CC[C@H](C(C)C)[C@@H]2O', '[H][C@:53]12[C:148](=[CH2:106])[CH2:38][CH2:24][CH2:42][C@:38]1([CH3:18])[CH2:36][CH2:22][C@H:45]([CH:25]([CH3:25])[CH3:22])[C@@H:70]2O', '17 18 H 14.91 -11.97 C:15 13.68 -13.08 C:12 18.60 -13.08 C:13 19.82 -10.96 C:14 14.91 -8.10 O 16.15 -13.08 C:2 12.45 -9.53 C:3 12.45 -10.96 C:8 17.38 -9.53 C:1 13.68 -8.81 C:9 16.15 -8.81 C:4 13.68 -11.67 C:11 18.60 -11.67 C:6 16.15 -11.67 C:7 17.38 -10.96 C:5 14.91 -10.96 C:10 14.91 -9.53 16 1 -2 2 12 2 3 13 1 4 13 1 17 5 -1 14 6 -2 7 8 1 7 10 1 8 12 1 9 11 1 9 15 1 10 17 1 11 17 1 12 16 1 15 13 -2 14 15 1 14 16 1 16 17 1', '17 18 H 14.91 -11.97 C 13.68 -13.08 C 18.60 -13.08 C 19.82 -10.96 C 14.91 -8.10 O 16.15 -13.08 C 12.45 -9.53 C 12.45 -10.96 C 17.38 -9.53 C 13.68 -8.81 C 16.15 -8.81 C 13.68 -11.67 C 18.60 -11.67 C 16.15 -11.67 C 17.38 -10.96 C 14.91 -10.96 C 14.91 -9.53 16 1 -2 2 12 2 3 13 1 4 13 1 17 5 -1 14 6 -2 7 8 1 7 10 1 8 12 1 9 11 1 9 15 1 10 17 1 11 17 1 12 16 1 15 13 -2 14 15 1 14 16 1 16 17 1', '17 18 H 14.91 -11.97 C:106 13.68 -13.08 C:25 18.60 -13.08 C:22 19.82 -10.96 C:18 14.91 -8.10 O 16.15 -13.08 C:24 12.45 -9.53 C:38 12.45 -10.96 C:22 17.38 -9.53 C:42 13.68 -8.81 C:36 16.15 -8.81 C:148 13.68 -11.67 C:25 18.60 -11.67 C:70 16.15 -11.67 C:45 17.38 -10.96 C:53 14.91 -10.96 C:38 14.91 -9.53 16 1 -2 2 12 2 3 13 1 4 13 1 17 5 -1 14 6 -2 7 8 1 7 10 1 8 12 1 9 11 1 9 15 1 10 17 1 11 17 1 12 16 1 15 13 -2 14 15 1 14 16 1 16 17 1', 'C15H26O', 222.168, 'C', 'ph52_1519_4', 3259, '', '', '1', 1, NULL, NULL),
(12644, '3a-Hydroxyreynosin', '', 'Terpenoids', 'Sesquiterpenoids', 'Eudesmanes', '[H][C@@:7]23[CH2:8][CH2:9][C@@:10]1([CH3:14])[C@H:1](O)[CH2:2][C@@H:3](O)[C:4](=[CH2:15])[C@:5]1([H])[C@@:6]2([H])O[C:12](=O)[C:11]3=[CH2:13]', '[H][C@@]23CC[C@@]1(C)[C@H](O)C[C@@H](O)C(=C)[C@]1([H])[C@@]2([H])OC(=O)C3=C', '[H][C@@:49]23[CH2:21][CH2:35][C@@:37]1([CH3:10])[C@H:72](O)[CH2:48][C@@H:73](O)[C:145](=[CH2:112])[C@:43]1([H])[C@@:80]2([H])O[C:171](=O)[C:139]3=[CH2:117]', '22 24 H 17.99 -11.61 H 16.74 -10.32 H 15.46 -11.61 C:13 20.48 -11.27 C:15 14.19 -12.77 C:14 15.46 -7.62 O 19.18 -14.15 O 11.72 -11.27 O 14.19 -6.97 C:8 17.99 -9.10 C:9 16.74 -8.38 C:2 12.94 -9.10 O 17.04 -12.77 C:11 19.08 -11.61 C:4 14.19 -11.31 C:12 18.47 -12.87 C:3 12.94 -10.57 C:1 14.19 -8.38 C:7 17.99 -10.57 C:6 16.74 -11.27 C:5 15.46 -10.57 C:10 15.46 -9.10 19 1 -2 20 2 -1 21 3 -2 4 14 2 5 15 2 22 6 -1 7 16 2 17 8 -2 18 9 -1 10 11 1 10 19 1 11 22 1 12 17 1 12 18 1 13 16 1 13 20 1 14 16 1 14 19 1 15 17 1 15 21 1 18 22 1 19 20 1 20 21 1 21 22 1', '22 24 H 17.99 -11.61 H 16.74 -10.32 H 15.46 -11.61 C 20.48 -11.27 C 14.19 -12.77 C 15.46 -7.62 O 19.18 -14.15 O 11.72 -11.27 O 14.19 -6.97 C 17.99 -9.10 C 16.74 -8.38 C 12.94 -9.10 O 17.04 -12.77 C 19.08 -11.61 C 14.19 -11.31 C 18.47 -12.87 C 12.94 -10.57 C 14.19 -8.38 C 17.99 -10.57 C 16.74 -11.27 C 15.46 -10.57 C 15.46 -9.10 19 1 -2 20 2 -1 21 3 -2 4 14 2 5 15 2 22 6 -1 7 16 2 17 8 -2 18 9 -1 10 11 1 10 19 1 11 22 1 12 17 1 12 18 1 13 16 1 13 20 1 14 16 1 14 19 1 15 17 1 15 21 1 18 22 1 19 20 1 20 21 1 21 22 1', '22 24 H 17.99 -11.61 H 16.74 -10.32 H 15.46 -11.61 C:117 20.48 -11.27 C:112 14.19 -12.77 C:10 15.46 -7.62 O 19.18 -14.15 O 11.72 -11.27 O 14.19 -6.97 C:21 17.99 -9.10 C:35 16.74 -8.38 C:48 12.94 -9.10 O 17.04 -12.77 C:139 19.08 -11.61 C:145 14.19 -11.31 C:171 18.47 -12.87 C:73 12.94 -10.57 C:72 14.19 -8.38 C:49 17.99 -10.57 C:80 16.74 -11.27 C:43 15.46 -10.57 C:37 15.46 -9.10 19 1 -2 20 2 -1 21 3 -2 4 14 2 5 15 2 22 6 -1 7 16 2 17 8 -2 18 9 -1 10 11 1 10 19 1 11 22 1 12 17 1 12 18 1 13 16 1 13 20 1 14 16 1 14 19 1 15 17 1 15 21 1 18 22 1 19 20 1 20 21 1 21 22 1', 'C15H20O4', 264.182, 'C', 'ph53_45_8', 3260, '', '', '1', 1, NULL, NULL),
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(12653, '', '(+)-3-(Drim-8(12 )-en-11-yl)-2,5-dimethoxy-1,4-benzoquinone (3-{[(1R,4aR,8aR)-Decahydro-5,5,8atrimethyl-2-methylenenaphthalen-1-yl]methyl}-2,5-dimethoxycyclohexa-2,5-diene-1,4-dione', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:12])[C@@H:9]([CH2:11][c:101]1[c:106](O[CH3:102001])[c:105](=O)[cH:104][c:103](O[CH3:105001])[c:102]1=O)[C@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:14])[CH3:13]', '[H][C@]23CCC(=C)[C@@H](Cc1c(OC)c(=O)cc(OC)c1=O)[C@]2(C)CCC[C@]3(C)C', '[H][C@:56]23[CH2:25][CH2:38][C:149](=[CH2:107])[C@@H:55]([CH2:20][c:131]1[c:156](O[CH3:61])[c:183](=O)[cH:105][c:159](O[CH3:56])[c:183]1=O)[C@:40]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@:33]3([CH3:22])[CH3:34]', '28 30 H 14.18 -15.24 C:12 17.59 -12.15 C:105001 16.80 -5.07 C:102001 19.25 -12.03 C:14 12.16 -15.93 C:13 13.71 -16.08 C:15 14.18 -11.47 O 20.47 -9.92 O 15.59 -7.14 C:104 19.25 -7.85 C:2 11.82 -12.88 C:7 16.62 -14.23 C:3 11.82 -14.23 C:1 13.02 -12.15 C:6 15.38 -14.92 C:11 15.38 -10.12 O 18.03 -5.74 O 18.03 -11.22 C:8 16.62 -12.88 C:103 18.03 -7.14 C:101 16.80 -9.21 C:106 18.03 -9.92 C:105 19.25 -9.21 C:102 16.80 -7.85 C:9 15.38 -12.15 C:4 13.02 -14.92 C:5 14.18 -14.23 C:10 14.18 -12.88 27 1 -1 2 19 2 3 17 1 4 18 1 26 5 -2 26 6 -1 28 7 -2 8 23 2 9 24 2 10 20 2 10 23 1 11 13 1 11 14 1 12 15 1 12 19 1 13 26 1 14 28 1 15 27 1 16 21 1 25 16 -2 17 20 1 18 22 1 19 25 1 20 24 1 21 22 2 21 24 1 22 23 1 25 28 1 26 27 1 27 28 1', '28 30 H 14.18 -15.24 C 17.59 -12.15 C 16.80 -5.07 C 19.25 -12.03 C 12.16 -15.93 C 13.71 -16.08 C 14.18 -11.47 O 20.47 -9.92 O 15.59 -7.14 C 19.25 -7.85 C 11.82 -12.88 C 16.62 -14.23 C 11.82 -14.23 C 13.02 -12.15 C 15.38 -14.92 C 15.38 -10.12 O 18.03 -5.74 O 18.03 -11.22 C 16.62 -12.88 C 18.03 -7.14 C 16.80 -9.21 C 18.03 -9.92 C 19.25 -9.21 C 16.80 -7.85 C 15.38 -12.15 C 13.02 -14.92 C 14.18 -14.23 C 14.18 -12.88 27 1 -1 2 19 2 3 17 1 4 18 1 26 5 -2 26 6 -1 28 7 -2 8 23 2 9 24 2 10 20 2 10 23 1 11 13 1 11 14 1 12 15 1 12 19 1 13 26 1 14 28 1 15 27 1 16 21 1 25 16 -2 17 20 1 18 22 1 19 25 1 20 24 1 21 22 2 21 24 1 22 23 1 25 28 1 26 27 1 27 28 1', '28 30 H 14.18 -15.24 C:107 17.59 -12.15 C:56 16.80 -5.07 C:61 19.25 -12.03 C:22 12.16 -15.93 C:34 13.71 -16.08 C:14 14.18 -11.47 O 20.47 -9.92 O 15.59 -7.14 C:105 19.25 -7.85 C:19 11.82 -12.88 C:38 16.62 -14.23 C:42 11.82 -14.23 C:39 13.02 -12.15 C:25 15.38 -14.92 C:20 15.38 -10.12 O 18.03 -5.74 O 18.03 -11.22 C:149 16.62 -12.88 C:159 18.03 -7.14 C:131 16.80 -9.21 C:156 18.03 -9.92 C:183 19.25 -9.21 C:183 16.80 -7.85 C:55 15.38 -12.15 C:33 13.02 -14.92 C:56 14.18 -14.23 C:40 14.18 -12.88 27 1 -1 2 19 2 3 17 1 4 18 1 26 5 -2 26 6 -1 28 7 -2 8 23 2 9 24 2 10 20 2 10 23 1 11 13 1 11 14 1 12 15 1 12 19 1 13 26 1 14 28 1 15 27 1 16 21 1 25 16 -2 17 20 1 18 22 1 19 25 1 20 24 1 21 22 2 21 24 1 22 23 1 25 28 1 26 27 1 27 28 1', 'C23H32O4', 372.252, 'C', 'hca03_2009_7', 203, '', '', '1', 1, NULL, NULL),
(12654, '', '(+)-3-(Drim-8 (12)-en-11-yl)-4,5-dimethoxy-1,2-benzoquinone (3-{[(1R,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalen-1-yl]methyl}-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:12])[C@@H:9]([CH2:11][c:101]1[c:106](O[CH3:106001])[c:105](O[CH3:105001])[cH:104][c:103](=O)[c:102]1=O)[C@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:13])[CH3:14]', '[H][C@]23CCC(=C)[C@@H](Cc1c(OC)c(OC)cc(=O)c1=O)[C@]2(C)CCC[C@@]3(C)C', '[H][C@:56]23[CH2:24][CH2:38][C:149](=[CH2:107])[C@@H:55]([CH2:20][c:131]1[c:159](O[CH3:62])[c:166](O[CH3:57])[cH:101][c:181](=O)[c:179]1=O)[C@:40]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:34])[CH3:22]', '28 30 H 14.14 -15.26 C:12 17.56 -12.17 C:105001 16.77 -5.08 C:106001 14.33 -7.84 C:13 13.67 -16.10 C:14 12.12 -15.95 C:15 14.14 -11.49 O 20.44 -9.93 O 18.00 -11.24 C:104 19.22 -7.84 C:2 11.78 -12.90 C:7 16.59 -14.25 C:3 11.78 -14.25 C:1 12.98 -12.17 C:6 15.34 -14.94 C:11 15.34 -10.13 O 18.00 -5.75 O 15.56 -7.15 C:8 16.59 -12.90 C:105 18.00 -7.15 C:101 16.77 -9.22 C:106 16.77 -7.84 C:103 19.22 -9.22 C:102 18.00 -9.93 C:9 15.34 -12.17 C:4 12.98 -14.94 C:5 14.14 -14.25 C:10 14.14 -12.90 27 1 -1 2 19 2 3 17 1 4 18 1 26 5 -1 26 6 -2 28 7 -2 8 23 2 9 24 2 10 20 2 10 23 1 11 13 1 11 14 1 12 15 1 12 19 1 13 26 1 14 28 1 15 27 1 16 21 1 25 16 -2 17 20 1 18 22 1 19 25 1 20 22 1 21 22 2 21 24 1 23 24 1 25 28 1 26 27 1 27 28 1', '28 30 H 14.14 -15.26 C 17.56 -12.17 C 16.77 -5.08 C 14.33 -7.84 C 13.67 -16.10 C 12.12 -15.95 C 14.14 -11.49 O 20.44 -9.93 O 18.00 -11.24 C 19.22 -7.84 C 11.78 -12.90 C 16.59 -14.25 C 11.78 -14.25 C 12.98 -12.17 C 15.34 -14.94 C 15.34 -10.13 O 18.00 -5.75 O 15.56 -7.15 C 16.59 -12.90 C 18.00 -7.15 C 16.77 -9.22 C 16.77 -7.84 C 19.22 -9.22 C 18.00 -9.93 C 15.34 -12.17 C 12.98 -14.94 C 14.14 -14.25 C 14.14 -12.90 27 1 -1 2 19 2 3 17 1 4 18 1 26 5 -1 26 6 -2 28 7 -2 8 23 2 9 24 2 10 20 2 10 23 1 11 13 1 11 14 1 12 15 1 12 19 1 13 26 1 14 28 1 15 27 1 16 21 1 25 16 -2 17 20 1 18 22 1 19 25 1 20 22 1 21 22 2 21 24 1 23 24 1 25 28 1 26 27 1 27 28 1', '28 30 H 14.14 -15.26 C:107 17.56 -12.17 C:57 16.77 -5.08 C:62 14.33 -7.84 C:34 13.67 -16.10 C:22 12.12 -15.95 C:14 14.14 -11.49 O 20.44 -9.93 O 18.00 -11.24 C:101 19.22 -7.84 C:19 11.78 -12.90 C:38 16.59 -14.25 C:42 11.78 -14.25 C:39 12.98 -12.17 C:24 15.34 -14.94 C:20 15.34 -10.13 O 18.00 -5.75 O 15.56 -7.15 C:149 16.59 -12.90 C:166 18.00 -7.15 C:131 16.77 -9.22 C:159 16.77 -7.84 C:181 19.22 -9.22 C:179 18.00 -9.93 C:55 15.34 -12.17 C:34 12.98 -14.94 C:56 14.14 -14.25 C:40 14.14 -12.90 27 1 -1 2 19 2 3 17 1 4 18 1 26 5 -1 26 6 -2 28 7 -2 8 23 2 9 24 2 10 20 2 10 23 1 11 13 1 11 14 1 12 15 1 12 19 1 13 26 1 14 28 1 15 27 1 16 21 1 25 16 -2 17 20 1 18 22 1 19 25 1 20 22 1 21 22 2 21 24 1 23 24 1 25 28 1 26 27 1 27 28 1', 'C23H32O4', 372.252, 'C', 'hca03_2009_8', 203, '', '', '1', 1, NULL, NULL),
(12655, '', '( )-Hyatellaquinone-(3-{[(1R,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalen-1-yl]methyl}-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:12])[C@@H:9]([CH2:11][c:101]1[c:106](O)[c:105](=O)[cH:104][c:103](O[CH3:105001])[c:102]1=O)[C@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:13])[CH3:14]', '[H][C@]23CCC(=C)[C@@H](Cc1c(O)c(=O)cc(OC)c1=O)[C@]2(C)CCC[C@@]3(C)C', '[H][C@:56]23[CH2:25][CH2:38][C:149](=[CH2:107])[C@@H:54]([CH2:19][c:119]1[c:152](O)[c:183](=O)[cH:102][c:161](O[CH3:57])[c:182]1=O)[C@:40]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:34])[CH3:22]', '27 29 H 14.19 -15.26 C:12 17.61 -12.17 C:105001 16.83 -5.08 C:13 13.72 -16.11 C:14 12.17 -15.95 C:15 14.19 -11.49 O 20.48 -9.93 O 15.61 -7.14 O 18.05 -11.24 C:104 19.27 -7.83 C:2 11.83 -12.90 C:7 16.65 -14.25 C:3 11.83 -14.25 C:1 13.03 -12.17 C:6 15.39 -14.94 C:11 15.39 -10.13 O 18.05 -5.75 C:8 16.65 -12.90 C:103 18.05 -7.14 C:106 18.05 -9.93 C:101 16.83 -9.22 C:105 19.27 -9.22 C:102 16.83 -7.83 C:9 15.39 -12.17 C:4 13.03 -14.94 C:5 14.19 -14.25 C:10 14.19 -12.90 26 1 -1 2 18 2 3 17 1 25 4 -1 25 5 -2 27 6 -2 7 22 2 8 23 2 9 20 1 10 19 2 10 22 1 11 13 1 11 14 1 12 15 1 12 18 1 13 25 1 14 27 1 15 26 1 16 21 1 24 16 -2 17 19 1 18 24 1 19 23 1 20 21 2 20 22 1 21 23 1 24 27 1 25 26 1 26 27 1', '27 29 H 14.19 -15.26 C 17.61 -12.17 C 16.83 -5.08 C 13.72 -16.11 C 12.17 -15.95 C 14.19 -11.49 O 20.48 -9.93 O 15.61 -7.14 O 18.05 -11.24 C 19.27 -7.83 C 11.83 -12.90 C 16.65 -14.25 C 11.83 -14.25 C 13.03 -12.17 C 15.39 -14.94 C 15.39 -10.13 O 18.05 -5.75 C 16.65 -12.90 C 18.05 -7.14 C 18.05 -9.93 C 16.83 -9.22 C 19.27 -9.22 C 16.83 -7.83 C 15.39 -12.17 C 13.03 -14.94 C 14.19 -14.25 C 14.19 -12.90 26 1 -1 2 18 2 3 17 1 25 4 -1 25 5 -2 27 6 -2 7 22 2 8 23 2 9 20 1 10 19 2 10 22 1 11 13 1 11 14 1 12 15 1 12 18 1 13 25 1 14 27 1 15 26 1 16 21 1 24 16 -2 17 19 1 18 24 1 19 23 1 20 21 2 20 22 1 21 23 1 24 27 1 25 26 1 26 27 1', '27 29 H 14.19 -15.26 C:107 17.61 -12.17 C:57 16.83 -5.08 C:34 13.72 -16.11 C:22 12.17 -15.95 C:14 14.19 -11.49 O 20.48 -9.93 O 15.61 -7.14 O 18.05 -11.24 C:102 19.27 -7.83 C:19 11.83 -12.90 C:38 16.65 -14.25 C:42 11.83 -14.25 C:39 13.03 -12.17 C:25 15.39 -14.94 C:19 15.39 -10.13 O 18.05 -5.75 C:149 16.65 -12.90 C:161 18.05 -7.14 C:152 18.05 -9.93 C:119 16.83 -9.22 C:183 19.27 -9.22 C:182 16.83 -7.83 C:54 15.39 -12.17 C:34 13.03 -14.94 C:56 14.19 -14.25 C:40 14.19 -12.90 26 1 -1 2 18 2 3 17 1 25 4 -1 25 5 -2 27 6 -2 7 22 2 8 23 2 9 20 1 10 19 2 10 22 1 11 13 1 11 14 1 12 15 1 12 18 1 13 25 1 14 27 1 15 26 1 16 21 1 24 16 -2 17 19 1 18 24 1 19 23 1 20 21 2 20 22 1 21 23 1 24 27 1 25 26 1 26 27 1', 'C22H30O4', 358.241, 'C', 'hca03_2009_1', 203, '', '', '1', 1, NULL, NULL),
(12656, '', '11-(2,3,5,6-Tetramethoxyphenyl)driman-11-one-([(1RS,2RS,4aRS,8aRS)-Decahydro-2,5,5,8a-tetramethylnaphthalen', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@H:8]([CH3:12])[C@H:9]([C:11](=O)[c:101]1[c:102](O[CH3:102001])[c:103](O[CH3:103001])[cH:104][c:105](O[CH3:105001])[c:106]1O[CH3:106001])[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:13])[CH3:14]', '[H][C@@]23CC[C@H](C)[C@H](C(=O)c1c(OC)c(OC)cc(OC)c1OC)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:56]23[CH2:18][CH2:35][C@H:30]([CH3:17])[C@H:67]([C:206](=O)[c:149]1[c:133](O[CH3:62])[c:139](O[CH3:56])[cH:99][c:139](O[CH3:56])[c:133]1O[CH3:62])[C@@:30]2([CH3:18])[CH2:38][CH2:18][CH2:42][C@:33]3([CH3:34])[CH3:22]', '31 33 H 13.57 -15.25 C:103001 21.07 -9.26 C:105001 16.19 -5.07 C:102001 18.64 -12.04 C:106001 13.78 -7.85 C:12 16.98 -12.16 C:13 13.10 -16.09 C:14 11.55 -15.94 C:15 13.57 -11.48 O 13.67 -9.26 C:104 18.64 -7.85 C:2 11.21 -12.89 C:7 16.01 -14.24 C:3 11.21 -14.24 C:1 12.41 -12.16 C:6 14.77 -14.93 O 19.86 -9.93 O 17.42 -5.74 O 17.42 -11.23 O 14.98 -7.14 C:11 14.77 -10.13 C:103 18.64 -9.26 C:105 17.42 -7.14 C:102 17.42 -9.93 C:106 16.19 -7.85 C:101 16.19 -9.26 C:8 16.01 -12.89 C:9 14.77 -12.16 C:4 12.41 -14.93 C:5 13.57 -14.24 C:10 13.57 -12.89 30 1 -2 2 17 1 3 18 1 4 19 1 5 20 1 27 6 -1 29 7 -2 29 8 -1 31 9 -1 10 21 2 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 27 1 14 29 1 15 31 1 16 30 1 17 22 1 18 23 1 19 24 1 20 25 1 21 26 1 28 21 -1 22 24 2 23 25 1 24 26 1 25 26 2 27 28 1 28 31 1 29 30 1 30 31 1', '31 33 H 13.57 -15.25 C 21.07 -9.26 C 16.19 -5.07 C 18.64 -12.04 C 13.78 -7.85 C 16.98 -12.16 C 13.10 -16.09 C 11.55 -15.94 C 13.57 -11.48 O 13.67 -9.26 C 18.64 -7.85 C 11.21 -12.89 C 16.01 -14.24 C 11.21 -14.24 C 12.41 -12.16 C 14.77 -14.93 O 19.86 -9.93 O 17.42 -5.74 O 17.42 -11.23 O 14.98 -7.14 C 14.77 -10.13 C 18.64 -9.26 C 17.42 -7.14 C 17.42 -9.93 C 16.19 -7.85 C 16.19 -9.26 C 16.01 -12.89 C 14.77 -12.16 C 12.41 -14.93 C 13.57 -14.24 C 13.57 -12.89 30 1 -2 2 17 1 3 18 1 4 19 1 5 20 1 27 6 -1 29 7 -2 29 8 -1 31 9 -1 10 21 2 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 27 1 14 29 1 15 31 1 16 30 1 17 22 1 18 23 1 19 24 1 20 25 1 21 26 1 28 21 -1 22 24 2 23 25 1 24 26 1 25 26 2 27 28 1 28 31 1 29 30 1 30 31 1', '31 33 H 13.57 -15.25 C:56 21.07 -9.26 C:56 16.19 -5.07 C:62 18.64 -12.04 C:62 13.78 -7.85 C:17 16.98 -12.16 C:34 13.10 -16.09 C:22 11.55 -15.94 C:18 13.57 -11.48 O 13.67 -9.26 C:99 18.64 -7.85 C:18 11.21 -12.89 C:35 16.01 -14.24 C:42 11.21 -14.24 C:38 12.41 -12.16 C:18 14.77 -14.93 O 19.86 -9.93 O 17.42 -5.74 O 17.42 -11.23 O 14.98 -7.14 C:206 14.77 -10.13 C:139 18.64 -9.26 C:139 17.42 -7.14 C:133 17.42 -9.93 C:133 16.19 -7.85 C:149 16.19 -9.26 C:30 16.01 -12.89 C:67 14.77 -12.16 C:33 12.41 -14.93 C:56 13.57 -14.24 C:30 13.57 -12.89 30 1 -2 2 17 1 3 18 1 4 19 1 5 20 1 27 6 -1 29 7 -2 29 8 -1 31 9 -1 10 21 2 11 22 1 11 23 2 12 14 1 12 15 1 13 16 1 13 27 1 14 29 1 15 31 1 16 30 1 17 22 1 18 23 1 19 24 1 20 25 1 21 26 1 28 21 -1 22 24 2 23 25 1 24 26 1 25 26 2 27 28 1 28 31 1 29 30 1 30 31 1', 'C25H38O5', 418.272, 'C', 'hca03_2009_12', 203, '', '', '1', 1, NULL, NULL),
(12657, '', '11-(2,3,5,6-Tetramethoxyphenyl)drim-9(11)-ene-((2RS,4aRS,8aRS)-Decahydro-2,5,5,8a-tetramethyl-1-[(2,3,5,6-tetramethoxyphenyl)methylene]naphthalene', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@H:8]([CH3:12])[C:9](=[CH:11][c:101]1[c:106](O[CH3:106001])[c:105](O[CH3:105001])[cH:104][c:103](O[CH3:103001])[c:102]1O[CH3:102001])[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23CC[C@H](C)C(=Cc1c(OC)c(OC)cc(OC)c1OC)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:55]23[CH2:18][CH2:34][C@H:32]([CH3:21])[C:158](=[CH:110][c:129]1[c:140](O[CH3:61])[c:149](O[CH3:56])[cH:97][c:149](O[CH3:56])[c:140]1O[CH3:61])[C@@:41]2([CH3:22])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:33]', '30 32 H 13.57 -15.25 C:105001 16.19 -5.07 C:103001 21.07 -9.26 C:106001 13.78 -7.85 C:102001 18.64 -12.04 C:12 16.98 -12.16 C:14 11.55 -15.94 C:13 13.10 -16.09 C:15 13.57 -11.48 C:11 14.77 -10.13 C:104 18.64 -7.85 C:2 11.21 -12.89 C:7 16.01 -14.24 C:3 11.21 -14.24 C:1 12.41 -12.16 C:6 14.77 -14.93 O 17.42 -5.74 O 19.86 -9.93 O 14.98 -7.14 O 17.42 -11.23 C:9 14.77 -12.16 C:105 17.42 -7.14 C:103 18.64 -9.26 C:101 16.19 -9.26 C:106 16.19 -7.85 C:102 17.42 -9.93 C:8 16.01 -12.89 C:4 12.41 -14.93 C:10 13.57 -12.89 C:5 13.57 -14.24 30 1 -2 2 17 1 3 18 1 4 19 1 5 20 1 27 6 -1 28 7 -1 28 8 -2 29 9 -1 10 21 2 10 24 1 11 22 2 11 23 1 12 14 1 12 15 1 13 16 1 13 27 1 14 28 1 15 29 1 16 30 1 17 22 1 18 23 1 19 25 1 20 26 1 21 27 1 21 29 1 22 25 1 23 26 2 24 25 2 24 26 1 28 30 1 29 30 1', '30 32 H 13.57 -15.25 C 16.19 -5.07 C 21.07 -9.26 C 13.78 -7.85 C 18.64 -12.04 C 16.98 -12.16 C 11.55 -15.94 C 13.10 -16.09 C 13.57 -11.48 C 14.77 -10.13 C 18.64 -7.85 C 11.21 -12.89 C 16.01 -14.24 C 11.21 -14.24 C 12.41 -12.16 C 14.77 -14.93 O 17.42 -5.74 O 19.86 -9.93 O 14.98 -7.14 O 17.42 -11.23 C 14.77 -12.16 C 17.42 -7.14 C 18.64 -9.26 C 16.19 -9.26 C 16.19 -7.85 C 17.42 -9.93 C 16.01 -12.89 C 12.41 -14.93 C 13.57 -12.89 C 13.57 -14.24 30 1 -2 2 17 1 3 18 1 4 19 1 5 20 1 27 6 -1 28 7 -1 28 8 -2 29 9 -1 10 21 2 10 24 1 11 22 2 11 23 1 12 14 1 12 15 1 13 16 1 13 27 1 14 28 1 15 29 1 16 30 1 17 22 1 18 23 1 19 25 1 20 26 1 21 27 1 21 29 1 22 25 1 23 26 2 24 25 2 24 26 1 28 30 1 29 30 1', '30 32 H 13.57 -15.25 C:56 16.19 -5.07 C:56 21.07 -9.26 C:61 13.78 -7.85 C:61 18.64 -12.04 C:21 16.98 -12.16 C:22 11.55 -15.94 C:33 13.10 -16.09 C:22 13.57 -11.48 C:110 14.77 -10.13 C:97 18.64 -7.85 C:19 11.21 -12.89 C:34 16.01 -14.24 C:42 11.21 -14.24 C:39 12.41 -12.16 C:18 14.77 -14.93 O 17.42 -5.74 O 19.86 -9.93 O 14.98 -7.14 O 17.42 -11.23 C:158 14.77 -12.16 C:149 17.42 -7.14 C:149 18.64 -9.26 C:129 16.19 -9.26 C:140 16.19 -7.85 C:140 17.42 -9.93 C:32 16.01 -12.89 C:34 12.41 -14.93 C:41 13.57 -12.89 C:55 13.57 -14.24 30 1 -2 2 17 1 3 18 1 4 19 1 5 20 1 27 6 -1 28 7 -1 28 8 -2 29 9 -1 10 21 2 10 24 1 11 22 2 11 23 1 12 14 1 12 15 1 13 16 1 13 27 1 14 28 1 15 29 1 16 30 1 17 22 1 18 23 1 19 25 1 20 26 1 21 27 1 21 29 1 22 25 1 23 26 2 24 25 2 24 26 1 28 30 1 29 30 1', 'C25H38O4', 402.273, 'C', 'hca03_2009_14', 203, '', '', '1', 1, NULL, NULL),
(12658, '', '3-(Drim-9 (11)-enyl)-2,5-dimethoxy-1,4-benzoquinone-(2,4-Dimethoxy-3-[(2RS,4aRS,8aRS)-octahydro-2,5,5,8a-tetramethylnaphthalen-1(2H)-ylidene)methyl]cyclohexa-2,5-diene-1,4-dione', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@H:8]([CH3:12])[C:9](=[CH:11][c:101]1[c:106](O[CH3:102001])[c:105](=O)[cH:104][c:103](O[CH3:105001])[c:102]1=O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23CC[C@H](C)C(=Cc1c(OC)c(=O)cc(OC)c1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:54]23[CH2:18][CH2:34][C@H:33]([CH3:22])[C:162](=[CH:109][c:124]1[c:155](O[CH3:61])[c:183](=O)[cH:105][c:159](O[CH3:56])[c:182]1=O)[C@@:41]2([CH3:22])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:33]', '28 30 H 14.17 -15.24 C:105001 16.80 -5.07 C:102001 19.24 -12.03 C:12 17.59 -12.15 C:14 12.15 -15.93 C:13 13.70 -16.08 C:15 14.17 -11.47 O 20.46 -9.92 O 15.59 -7.13 C:11 15.38 -10.12 C:104 19.24 -7.84 C:2 11.81 -12.88 C:7 16.62 -14.22 C:3 11.81 -14.22 C:1 13.01 -12.15 C:6 15.38 -14.92 O 18.03 -5.74 O 18.03 -11.22 C:9 15.38 -12.15 C:101 16.80 -9.25 C:103 18.03 -7.13 C:106 18.03 -9.92 C:105 19.24 -9.25 C:102 16.80 -7.84 C:8 16.62 -12.88 C:4 13.01 -14.92 C:10 14.17 -12.88 C:5 14.17 -14.22 28 1 -2 2 17 1 3 18 1 25 4 -1 26 5 -1 26 6 -2 27 7 -1 8 23 2 9 24 2 10 19 2 10 20 1 11 21 2 11 23 1 12 14 1 12 15 1 13 16 1 13 25 1 14 26 1 15 27 1 16 28 1 17 21 1 18 22 1 19 25 1 19 27 1 20 22 2 20 24 1 21 24 1 22 23 1 26 28 1 27 28 1', '28 30 H 14.17 -15.24 C 16.80 -5.07 C 19.24 -12.03 C 17.59 -12.15 C 12.15 -15.93 C 13.70 -16.08 C 14.17 -11.47 O 20.46 -9.92 O 15.59 -7.13 C 15.38 -10.12 C 19.24 -7.84 C 11.81 -12.88 C 16.62 -14.22 C 11.81 -14.22 C 13.01 -12.15 C 15.38 -14.92 O 18.03 -5.74 O 18.03 -11.22 C 15.38 -12.15 C 16.80 -9.25 C 18.03 -7.13 C 18.03 -9.92 C 19.24 -9.25 C 16.80 -7.84 C 16.62 -12.88 C 13.01 -14.92 C 14.17 -12.88 C 14.17 -14.22 28 1 -2 2 17 1 3 18 1 25 4 -1 26 5 -1 26 6 -2 27 7 -1 8 23 2 9 24 2 10 19 2 10 20 1 11 21 2 11 23 1 12 14 1 12 15 1 13 16 1 13 25 1 14 26 1 15 27 1 16 28 1 17 21 1 18 22 1 19 25 1 19 27 1 20 22 2 20 24 1 21 24 1 22 23 1 26 28 1 27 28 1', '28 30 H 14.17 -15.24 C:56 16.80 -5.07 C:61 19.24 -12.03 C:22 17.59 -12.15 C:22 12.15 -15.93 C:33 13.70 -16.08 C:22 14.17 -11.47 O 20.46 -9.92 O 15.59 -7.13 C:109 15.38 -10.12 C:105 19.24 -7.84 C:19 11.81 -12.88 C:34 16.62 -14.22 C:42 11.81 -14.22 C:39 13.01 -12.15 C:18 15.38 -14.92 O 18.03 -5.74 O 18.03 -11.22 C:162 15.38 -12.15 C:124 16.80 -9.25 C:159 18.03 -7.13 C:155 18.03 -9.92 C:183 19.24 -9.25 C:182 16.80 -7.84 C:33 16.62 -12.88 C:34 13.01 -14.92 C:41 14.17 -12.88 C:54 14.17 -14.22 28 1 -2 2 17 1 3 18 1 25 4 -1 26 5 -1 26 6 -2 27 7 -1 8 23 2 9 24 2 10 19 2 10 20 1 11 21 2 11 23 1 12 14 1 12 15 1 13 16 1 13 25 1 14 26 1 15 27 1 16 28 1 17 21 1 18 22 1 19 25 1 19 27 1 20 22 2 20 24 1 21 24 1 22 23 1 26 28 1 27 28 1', 'C23H32O4', 372.252, 'C', 'hca03_2009_16', 203, '', '', '1', 1, NULL, NULL),
(12659, '', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]23[CH2:6][CH2:7][C@H:8]([CH3:12])[C:9](=[CH:11][c:101]1[c:106](O)[c:105](=O)[cH:104][c:103](O[CH3:105001])[c:102]1=O)[C@@:10]2([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:14])[CH3:13]', '[H][C@@]23CC[C@H](C)C(=Cc1c(O)c(=O)cc(OC)c1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:54]23[CH2:18][CH2:34][C@H:33]([CH3:22])[C:163](=[CH:107][c:126]1[c:150](O)[c:183](=O)[cH:102][c:161](O[CH3:57])[c:181]1=O)[C@@:41]2([CH3:22])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:34]', '27 29 H 14.14 -15.26 C:105001 16.77 -5.07 C:12 17.56 -12.17 C:14 12.11 -15.95 C:13 13.66 -16.10 C:15 14.14 -11.49 O 20.44 -9.94 O 15.56 -7.15 O 18.00 -11.24 C:11 15.35 -10.14 C:104 19.22 -7.86 C:2 11.77 -12.90 C:7 16.59 -14.24 C:3 11.77 -14.24 C:1 12.97 -12.17 C:6 15.35 -14.94 O 18.00 -5.74 C:9 15.35 -12.17 C:106 18.00 -9.94 C:103 18.00 -7.15 C:101 16.77 -9.27 C:105 19.22 -9.27 C:102 16.77 -7.86 C:8 16.59 -12.90 C:4 12.97 -14.94 C:10 14.14 -12.90 C:5 14.14 -14.24 27 1 -2 2 17 1 24 3 -1 25 4 -1 25 5 -2 26 6 -1 7 22 2 8 23 2 9 19 1 10 18 2 10 21 1 11 20 2 11 22 1 12 14 1 12 15 1 13 16 1 13 24 1 14 25 1 15 26 1 16 27 1 17 20 1 18 24 1 18 26 1 19 21 2 19 22 1 20 23 1 21 23 1 25 27 1 26 27 1', '27 29 H 14.14 -15.26 C 16.77 -5.07 C 17.56 -12.17 C 12.11 -15.95 C 13.66 -16.10 C 14.14 -11.49 O 20.44 -9.94 O 15.56 -7.15 O 18.00 -11.24 C 15.35 -10.14 C 19.22 -7.86 C 11.77 -12.90 C 16.59 -14.24 C 11.77 -14.24 C 12.97 -12.17 C 15.35 -14.94 O 18.00 -5.74 C 15.35 -12.17 C 18.00 -9.94 C 18.00 -7.15 C 16.77 -9.27 C 19.22 -9.27 C 16.77 -7.86 C 16.59 -12.90 C 12.97 -14.94 C 14.14 -12.90 C 14.14 -14.24 27 1 -2 2 17 1 24 3 -1 25 4 -1 25 5 -2 26 6 -1 7 22 2 8 23 2 9 19 1 10 18 2 10 21 1 11 20 2 11 22 1 12 14 1 12 15 1 13 16 1 13 24 1 14 25 1 15 26 1 16 27 1 17 20 1 18 24 1 18 26 1 19 21 2 19 22 1 20 23 1 21 23 1 25 27 1 26 27 1', '27 29 H 14.14 -15.26 C:57 16.77 -5.07 C:22 17.56 -12.17 C:22 12.11 -15.95 C:34 13.66 -16.10 C:22 14.14 -11.49 O 20.44 -9.94 O 15.56 -7.15 O 18.00 -11.24 C:107 15.35 -10.14 C:102 19.22 -7.86 C:19 11.77 -12.90 C:34 16.59 -14.24 C:42 11.77 -14.24 C:39 12.97 -12.17 C:18 15.35 -14.94 O 18.00 -5.74 C:163 15.35 -12.17 C:150 18.00 -9.94 C:161 18.00 -7.15 C:126 16.77 -9.27 C:183 19.22 -9.27 C:181 16.77 -7.86 C:33 16.59 -12.90 C:34 12.97 -14.94 C:41 14.14 -12.90 C:54 14.14 -14.24 27 1 -2 2 17 1 24 3 -1 25 4 -1 25 5 -2 26 6 -1 7 22 2 8 23 2 9 19 1 10 18 2 10 21 1 11 20 2 11 22 1 12 14 1 12 15 1 13 16 1 13 24 1 14 25 1 15 26 1 16 27 1 17 20 1 18 24 1 18 26 1 19 21 2 19 22 1 20 23 1 21 23 1 25 27 1 26 27 1', 'C22H30O4', 358.241, 'C', 'hca03_2009_2', 203, '', '', '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
(12678, 'Dictyoceratin-C', '', 'Terpenoids', 'Merosesquiterpenoids', 'Friedodrimanes', '[H][C@@:10]12[CH2:1][CH2:2][CH2:3][C:4](=[CH2:11])[C@:5]1([CH3:12])[CH2:6][CH2:7][C@H:8]([CH3:13])[C@@:9]2([CH3:14])[CH2:15][c:101]3[cH:106][c:105]([C:103001](=O)O[CH3:103002])[cH:104][cH:103][c:102]3O', '[H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)Cc3cc(C(=O)OC)ccc3O', '[H][C@@:48]12[CH2:23][CH2:28][CH2:33][C:160](=[CH2:103])[C@:40]1([CH3:21])[CH2:37][CH2:28][C@H:36]([CH3:18])[C@@:42]2([CH3:18])[CH2:37][c:125]3[cH:135][c:122]([C:167](=O)O[CH3:52])[cH:129][cH:115][c:159]3O', '27 29 H 13.65 -10.82 C:11 12.49 -15.27 C:103002 20.89 -10.82 C:13 17.13 -11.21 C:12 13.65 -14.61 C:14 15.99 -10.54 O 20.89 -8.03 O 14.83 -5.94 C:104 18.47 -6.64 C:103 17.24 -5.94 C:106 17.24 -8.74 C:2 11.32 -11.90 C:3 11.32 -13.24 C:7 15.99 -13.24 C:1 12.49 -11.21 C:6 14.83 -13.94 C:15 14.83 -8.74 O 19.68 -10.14 C:4 12.49 -13.94 C:103001 19.68 -8.74 C:105 18.47 -8.03 C:102 15.99 -6.64 C:101 15.99 -8.03 C:8 15.99 -11.90 C:10 13.65 -11.90 C:5 13.65 -13.24 C:9 14.83 -11.21 25 1 -2 2 19 2 3 18 1 24 4 -1 26 5 -2 27 6 -1 7 20 2 8 22 1 9 10 1 9 21 2 10 22 2 11 21 1 11 23 2 12 13 1 12 15 1 13 19 1 14 16 1 14 24 1 15 25 1 16 26 1 17 23 1 17 27 1 18 20 1 19 26 1 20 21 1 22 23 1 24 27 1 25 26 1 25 27 1', '27 29 H 13.65 -10.82 C 12.49 -15.27 C 20.89 -10.82 C 17.13 -11.21 C 13.65 -14.61 C 15.99 -10.54 O 20.89 -8.03 O 14.83 -5.94 C 18.47 -6.64 C 17.24 -5.94 C 17.24 -8.74 C 11.32 -11.90 C 11.32 -13.24 C 15.99 -13.24 C 12.49 -11.21 C 14.83 -13.94 C 14.83 -8.74 O 19.68 -10.14 C 12.49 -13.94 C 19.68 -8.74 C 18.47 -8.03 C 15.99 -6.64 C 15.99 -8.03 C 15.99 -11.90 C 13.65 -11.90 C 13.65 -13.24 C 14.83 -11.21 25 1 -2 2 19 2 3 18 1 24 4 -1 26 5 -2 27 6 -1 7 20 2 8 22 1 9 10 1 9 21 2 10 22 2 11 21 1 11 23 2 12 13 1 12 15 1 13 19 1 14 16 1 14 24 1 15 25 1 16 26 1 17 23 1 17 27 1 18 20 1 19 26 1 20 21 1 22 23 1 24 27 1 25 26 1 25 27 1', '27 29 H 13.65 -10.82 C:103 12.49 -15.27 C:52 20.89 -10.82 C:18 17.13 -11.21 C:21 13.65 -14.61 C:18 15.99 -10.54 O 20.89 -8.03 O 14.83 -5.94 C:129 18.47 -6.64 C:115 17.24 -5.94 C:135 17.24 -8.74 C:28 11.32 -11.90 C:33 11.32 -13.24 C:28 15.99 -13.24 C:23 12.49 -11.21 C:37 14.83 -13.94 C:37 14.83 -8.74 O 19.68 -10.14 C:160 12.49 -13.94 C:167 19.68 -8.74 C:122 18.47 -8.03 C:159 15.99 -6.64 C:125 15.99 -8.03 C:36 15.99 -11.90 C:48 13.65 -11.90 C:40 13.65 -13.24 C:42 14.83 -11.21 25 1 -2 2 19 2 3 18 1 24 4 -1 26 5 -2 27 6 -1 7 20 2 8 22 1 9 10 1 9 21 2 10 22 2 11 21 1 11 23 2 12 13 1 12 15 1 13 19 1 14 16 1 14 24 1 15 25 1 16 26 1 17 23 1 17 27 1 18 20 1 19 26 1 20 21 1 22 23 1 24 27 1 25 26 1 25 27 1', 'C23H32O3', 356.252, 'C', 'np00_1153_5', 3265, '', '', '1', 1, NULL, NULL),
(12679, '18-Hydroxyhyrtiophenol', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([CH3:11])[C@@:5]1([CH3:12])[CH2:6][CH2:7][C@H:8]([CH3:13])[C@@:9]2([CH3:14])[CH2:15][c:101]3[cH:106][c:105]([C:103001](=O)O[CH3:103002])[cH:104][c:103](O)[c:102]3O', '[H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc3cc(C(=O)OC)cc(O)c3O', '[H][C@@:46]12[CH2:20][CH2:26][CH:121]=[C:144]([CH3:18])[C@@:38]1([CH3:20])[CH2:36][CH2:28][C@H:36]([CH3:18])[C@@:42]2([CH3:18])[CH2:37][c:125]3[cH:128][c:121]([C:167](=O)O[CH3:52])[cH:114][c:142](O)[c:149]3O', '28 30 H 13.65 -11.49 C:103002 20.89 -11.49 C:11 12.49 -15.94 C:13 17.13 -11.88 C:12 13.65 -15.28 C:14 15.99 -11.21 O 20.89 -8.70 O 17.24 -5.21 O 14.83 -6.61 C:3 11.32 -13.91 C:104 18.47 -7.31 C:106 17.24 -9.41 C:2 11.32 -12.57 C:7 15.99 -13.91 C:1 12.49 -11.88 C:6 14.83 -14.61 C:15 14.83 -9.41 O 19.68 -10.81 C:4 12.49 -14.61 C:103001 19.68 -9.41 C:103 17.24 -6.61 C:105 18.47 -8.70 C:102 15.99 -7.31 C:101 15.99 -8.70 C:8 15.99 -12.57 C:5 13.65 -13.91 C:10 13.65 -12.57 C:9 14.83 -11.88 27 1 -2 2 18 1 3 19 1 25 4 -1 26 5 -1 28 6 -1 7 20 2 8 21 1 9 23 1 10 13 1 10 19 2 11 21 1 11 22 2 12 22 1 12 24 2 13 15 1 14 16 1 14 25 1 15 27 1 16 26 1 17 24 1 17 28 1 18 20 1 19 26 1 20 22 1 21 23 2 23 24 1 25 28 1 26 27 1 27 28 1', '28 30 H 13.65 -11.49 C 20.89 -11.49 C 12.49 -15.94 C 17.13 -11.88 C 13.65 -15.28 C 15.99 -11.21 O 20.89 -8.70 O 17.24 -5.21 O 14.83 -6.61 C 11.32 -13.91 C 18.47 -7.31 C 17.24 -9.41 C 11.32 -12.57 C 15.99 -13.91 C 12.49 -11.88 C 14.83 -14.61 C 14.83 -9.41 O 19.68 -10.81 C 12.49 -14.61 C 19.68 -9.41 C 17.24 -6.61 C 18.47 -8.70 C 15.99 -7.31 C 15.99 -8.70 C 15.99 -12.57 C 13.65 -13.91 C 13.65 -12.57 C 14.83 -11.88 27 1 -2 2 18 1 3 19 1 25 4 -1 26 5 -1 28 6 -1 7 20 2 8 21 1 9 23 1 10 13 1 10 19 2 11 21 1 11 22 2 12 22 1 12 24 2 13 15 1 14 16 1 14 25 1 15 27 1 16 26 1 17 24 1 17 28 1 18 20 1 19 26 1 20 22 1 21 23 2 23 24 1 25 28 1 26 27 1 27 28 1', '28 30 H 13.65 -11.49 C:52 20.89 -11.49 C:18 12.49 -15.94 C:18 17.13 -11.88 C:20 13.65 -15.28 C:18 15.99 -11.21 O 20.89 -8.70 O 17.24 -5.21 O 14.83 -6.61 C:121 11.32 -13.91 C:114 18.47 -7.31 C:128 17.24 -9.41 C:26 11.32 -12.57 C:28 15.99 -13.91 C:20 12.49 -11.88 C:36 14.83 -14.61 C:37 14.83 -9.41 O 19.68 -10.81 C:144 12.49 -14.61 C:167 19.68 -9.41 C:142 17.24 -6.61 C:121 18.47 -8.70 C:149 15.99 -7.31 C:125 15.99 -8.70 C:36 15.99 -12.57 C:38 13.65 -13.91 C:46 13.65 -12.57 C:42 14.83 -11.88 27 1 -2 2 18 1 3 19 1 25 4 -1 26 5 -1 28 6 -1 7 20 2 8 21 1 9 23 1 10 13 1 10 19 2 11 21 1 11 22 2 12 22 1 12 24 2 13 15 1 14 16 1 14 25 1 15 27 1 16 26 1 17 24 1 17 28 1 18 20 1 19 26 1 20 22 1 21 23 2 23 24 1 25 28 1 26 27 1 27 28 1', 'C23H32O4', 372.252, 'C', 'np00_1153_9', 3265, '', '', '1', 1, NULL, NULL),
(12680, '', '', 'Terpenoids', 'Merosesquiterpenoids', 'Drimanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:12])[C:9](=[CH2:11])[C@@:10]1([CH3:15])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:14])[CH3:13]', '[H][C@@]12CCC(=C)C(=C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:53]12[CH2:23][CH2:36][C:150](=[CH2:109])[C:162](=[CH2:103])[C@@:40]1([CH3:21])[CH2:38][CH2:19][CH2:42][C@@:34]2([CH3:22])[CH3:34]', '16 17 H 15.49 -12.45 C:12 19.21 -9.27 C:11 16.74 -7.86 C:14 13.36 -13.18 C:13 14.99 -13.32 C:15 15.49 -8.56 C:2 13.02 -10.01 C:7 17.97 -11.42 C:3 13.02 -11.42 C:1 14.26 -9.27 C:6 16.74 -12.13 C:8 17.97 -10.01 C:9 16.74 -9.27 C:4 14.26 -12.13 C:5 15.49 -11.42 C:10 15.49 -10.01 15 1 -2 2 12 2 3 13 2 14 4 -1 14 5 -2 16 6 -1 7 9 1 7 10 1 8 11 1 8 12 1 9 14 1 10 16 1 11 15 1 12 13 1 13 16 1 14 15 1 15 16 1', '16 17 H 15.49 -12.45 C 19.21 -9.27 C 16.74 -7.86 C 13.36 -13.18 C 14.99 -13.32 C 15.49 -8.56 C 13.02 -10.01 C 17.97 -11.42 C 13.02 -11.42 C 14.26 -9.27 C 16.74 -12.13 C 17.97 -10.01 C 16.74 -9.27 C 14.26 -12.13 C 15.49 -11.42 C 15.49 -10.01 15 1 -2 2 12 2 3 13 2 14 4 -1 14 5 -2 16 6 -1 7 9 1 7 10 1 8 11 1 8 12 1 9 14 1 10 16 1 11 15 1 12 13 1 13 16 1 14 15 1 15 16 1', '16 17 H 15.49 -12.45 C:109 19.21 -9.27 C:103 16.74 -7.86 C:22 13.36 -13.18 C:34 14.99 -13.32 C:21 15.49 -8.56 C:19 13.02 -10.01 C:36 17.97 -11.42 C:42 13.02 -11.42 C:38 14.26 -9.27 C:23 16.74 -12.13 C:150 17.97 -10.01 C:162 16.74 -9.27 C:34 14.26 -12.13 C:53 15.49 -11.42 C:40 15.49 -10.01 15 1 -2 2 12 2 3 13 2 14 4 -1 14 5 -2 16 6 -1 7 9 1 7 10 1 8 11 1 8 12 1 9 14 1 10 16 1 11 15 1 12 13 1 13 16 1 14 15 1 15 16 1', 'C15H24', 204.168, 'C', 'np01_348_2', 3266, '', '', '1', 1, NULL, NULL),
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