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
(1329, '', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH2:19]=[C:7]([CH2:8][CH2:9][CH:10]=[C:11]([CH3:18])[CH2:12][C:13](=O)[CH2:14][CH:15]([CH3:17])[CH3:16])[CH:6](O)[CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]O', 'C=C(CCC=C(C)CC(=O)CC(C)C)C(O)CCC(C)=CCO', '[CH2:110]=[C:151]([CH2:31][CH2:27][CH:129]=[C:130]([CH3:17])[CH2:54][C:210](=O)[CH2:51][CH:24]([CH3:23])[CH3:23])[CH:75](O)[CH2:33][CH2:36][C:139]([CH3:16])=[CH:124][CH2:59]O', '23 22 C:19 16.78 -9.38 C:20 21.63 -9.38 C:18 11.92 -9.38 C:16 5.86 -11.48 C:17 7.07 -9.38 O 9.48 -9.38 O 25.26 -11.48 O 17.99 -12.88 C:2 22.84 -11.48 C:10 13.13 -11.48 C:1 24.05 -10.78 C:9 14.34 -10.78 C:8 15.57 -11.48 C:4 20.42 -11.48 C:5 19.20 -10.78 C:12 10.71 -11.48 C:14 8.28 -11.48 C:3 21.63 -10.78 C:11 11.92 -10.78 C:7 16.78 -10.78 C:13 9.49 -10.78 C:15 7.07 -10.78 C:6 17.99 -11.48 1 20 2 2 18 1 3 19 1 4 22 1 5 22 1 6 21 2 7 11 1 8 23 1 9 11 1 9 18 2 10 12 1 10 19 2 12 13 1 13 20 1 14 15 1 14 18 1 15 23 1 16 19 1 16 21 1 17 21 1 17 22 1 20 23 1', '23 22 C 16.78 -9.38 C 21.63 -9.38 C 11.92 -9.38 C 5.86 -11.48 C 7.07 -9.38 O 9.48 -9.38 O 25.26 -11.48 O 17.99 -12.88 C 22.84 -11.48 C 13.13 -11.48 C 24.05 -10.78 C 14.34 -10.78 C 15.57 -11.48 C 20.42 -11.48 C 19.20 -10.78 C 10.71 -11.48 C 8.28 -11.48 C 21.63 -10.78 C 11.92 -10.78 C 16.78 -10.78 C 9.49 -10.78 C 7.07 -10.78 C 17.99 -11.48 1 20 2 2 18 1 3 19 1 4 22 1 5 22 1 6 21 2 7 11 1 8 23 1 9 11 1 9 18 2 10 12 1 10 19 2 12 13 1 13 20 1 14 15 1 14 18 1 15 23 1 16 19 1 16 21 1 17 21 1 17 22 1 20 23 1', '23 22 C:110 16.78 -9.38 C:16 21.63 -9.38 C:17 11.92 -9.38 C:23 5.86 -11.48 C:23 7.07 -9.38 O 9.48 -9.38 O 25.26 -11.48 O 17.99 -12.88 C:124 22.84 -11.48 C:129 13.13 -11.48 C:59 24.05 -10.78 C:27 14.34 -10.78 C:31 15.57 -11.48 C:36 20.42 -11.48 C:33 19.20 -10.78 C:54 10.71 -11.48 C:51 8.28 -11.48 C:139 21.63 -10.78 C:130 11.92 -10.78 C:151 16.78 -10.78 C:210 9.49 -10.78 C:24 7.07 -10.78 C:75 17.99 -11.48 1 20 2 2 18 1 3 19 1 4 22 1 5 22 1 6 21 2 7 11 1 8 23 1 9 11 1 9 18 2 10 12 1 10 19 2 12 13 1 13 20 1 14 15 1 14 18 1 15 23 1 16 19 1 16 21 1 17 21 1 17 22 1 20 23 1', 'C20H34O3', 322.212, 'C', 'ph66_2316_3', 1716, '', '', '1', 1, NULL, NULL),
(1330, '', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH2:19]=[C:7]([CH2:8][CH2:9][CH:10]=[C:11]([CH3:18])[CH2:12][C@@H:13](O)[CH:14]=[C:15]([CH3:16])[CH3:17])[CH:6](O)[CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]O', 'C=C(CCC=C(C)C[C@@H](O)C=C(C)C)C(O)CCC(C)=CCO', '[CH2:110]=[C:151]([CH2:31][CH2:27][CH:127]=[C:132]([CH3:16])[CH2:48][C@@H:66](O)[CH:128]=[C:135]([CH3:26])[CH3:18])[CH:75](O)[CH2:33][CH2:36][C:139]([CH3:16])=[CH:124][CH2:59]O', '23 22 C:19 16.81 -9.40 C:17 7.09 -9.40 C:16 5.88 -11.50 C:20 21.66 -9.40 C:18 11.93 -9.40 O 25.31 -11.50 O 9.48 -9.40 O 18.01 -12.90 C:2 22.88 -11.50 C:10 13.15 -11.50 C:14 8.29 -11.50 C:1 24.08 -10.80 C:9 14.36 -10.80 C:8 15.59 -11.50 C:4 20.45 -11.50 C:5 19.23 -10.80 C:12 10.73 -11.50 C:15 7.09 -10.80 C:3 21.66 -10.80 C:11 11.93 -10.80 C:7 16.81 -10.80 C:13 9.50 -10.80 C:6 18.01 -11.50 1 21 2 2 18 1 3 18 1 4 19 1 5 20 1 6 12 1 22 7 -2 8 23 1 9 12 1 9 19 2 10 13 1 10 20 2 11 18 2 11 22 1 13 14 1 14 21 1 15 16 1 15 19 1 16 23 1 17 20 1 17 22 1 21 23 1', '23 22 C 16.81 -9.40 C 7.09 -9.40 C 5.88 -11.50 C 21.66 -9.40 C 11.93 -9.40 O 25.31 -11.50 O 9.48 -9.40 O 18.01 -12.90 C 22.88 -11.50 C 13.15 -11.50 C 8.29 -11.50 C 24.08 -10.80 C 14.36 -10.80 C 15.59 -11.50 C 20.45 -11.50 C 19.23 -10.80 C 10.73 -11.50 C 7.09 -10.80 C 21.66 -10.80 C 11.93 -10.80 C 16.81 -10.80 C 9.50 -10.80 C 18.01 -11.50 1 21 2 2 18 1 3 18 1 4 19 1 5 20 1 6 12 1 22 7 -2 8 23 1 9 12 1 9 19 2 10 13 1 10 20 2 11 18 2 11 22 1 13 14 1 14 21 1 15 16 1 15 19 1 16 23 1 17 20 1 17 22 1 21 23 1', '23 22 C:110 16.81 -9.40 C:18 7.09 -9.40 C:26 5.88 -11.50 C:16 21.66 -9.40 C:16 11.93 -9.40 O 25.31 -11.50 O 9.48 -9.40 O 18.01 -12.90 C:124 22.88 -11.50 C:127 13.15 -11.50 C:128 8.29 -11.50 C:59 24.08 -10.80 C:27 14.36 -10.80 C:31 15.59 -11.50 C:36 20.45 -11.50 C:33 19.23 -10.80 C:48 10.73 -11.50 C:135 7.09 -10.80 C:139 21.66 -10.80 C:132 11.93 -10.80 C:151 16.81 -10.80 C:66 9.50 -10.80 C:75 18.01 -11.50 1 21 2 2 18 1 3 18 1 4 19 1 5 20 1 6 12 1 22 7 -2 8 23 1 9 12 1 9 19 2 10 13 1 10 20 2 11 18 2 11 22 1 13 14 1 14 21 1 15 16 1 15 19 1 16 23 1 17 20 1 17 22 1 21 23 1', 'C20H34O3', 322.212, 'C', 'ph66_2316_4', 1716, '', '', '1', 1, NULL, NULL),
(1331, '', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:17][C:15]([CH3:16])=[CH:14][C@H:13](O)[CH2:12][C:11]([CH3:18])=[CH:10][CH2:9][CH2:8][C:7]([CH3:19])(O)[CH:6]=[CH:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]O', 'CC(C)=C[C@H](O)CC(C)=CCCC(C)(O)C=CCC(C)=CCO', '[CH3:18][C:135]([CH3:26])=[CH:129][C@H:66](O)[CH2:48][C:132]([CH3:16])=[CH:128][CH2:23][CH2:42][C:73]([CH3:29])(O)[CH:139]=[CH:125][CH2:42][C:138]([CH3:16])=[CH:124][CH2:59]O', '23 22 C:16 5.92 -12.21 C:17 7.13 -10.11 C:20 21.70 -10.11 C:18 11.99 -10.11 C:19 18.06 -10.81 O 25.32 -12.21 O 9.55 -10.11 O 15.64 -10.81 C:5 19.27 -11.51 C:2 22.90 -12.21 C:10 13.20 -12.21 C:6 18.06 -12.21 C:14 8.34 -12.21 C:1 24.11 -11.51 C:9 14.41 -11.51 C:4 20.49 -12.21 C:8 15.64 -12.21 C:12 10.78 -12.21 C:15 7.13 -11.51 C:3 21.70 -11.51 C:11 11.99 -11.51 C:13 9.56 -11.51 C:7 16.85 -11.51 1 19 1 2 19 1 3 20 1 4 21 1 5 23 1 6 14 1 22 7 -2 8 23 1 9 12 2 9 16 1 10 14 1 10 20 2 11 15 1 11 21 2 12 23 1 13 19 2 13 22 1 15 17 1 16 20 1 17 23 1 18 21 1 18 22 1', '23 22 C 5.92 -12.21 C 7.13 -10.11 C 21.70 -10.11 C 11.99 -10.11 C 18.06 -10.81 O 25.32 -12.21 O 9.55 -10.11 O 15.64 -10.81 C 19.27 -11.51 C 22.90 -12.21 C 13.20 -12.21 C 18.06 -12.21 C 8.34 -12.21 C 24.11 -11.51 C 14.41 -11.51 C 20.49 -12.21 C 15.64 -12.21 C 10.78 -12.21 C 7.13 -11.51 C 21.70 -11.51 C 11.99 -11.51 C 9.56 -11.51 C 16.85 -11.51 1 19 1 2 19 1 3 20 1 4 21 1 5 23 1 6 14 1 22 7 -2 8 23 1 9 12 2 9 16 1 10 14 1 10 20 2 11 15 1 11 21 2 12 23 1 13 19 2 13 22 1 15 17 1 16 20 1 17 23 1 18 21 1 18 22 1', '23 22 C:26 5.92 -12.21 C:18 7.13 -10.11 C:16 21.70 -10.11 C:16 11.99 -10.11 C:29 18.06 -10.81 O 25.32 -12.21 O 9.55 -10.11 O 15.64 -10.81 C:125 19.27 -11.51 C:124 22.90 -12.21 C:128 13.20 -12.21 C:139 18.06 -12.21 C:129 8.34 -12.21 C:59 24.11 -11.51 C:23 14.41 -11.51 C:42 20.49 -12.21 C:42 15.64 -12.21 C:48 10.78 -12.21 C:135 7.13 -11.51 C:138 21.70 -11.51 C:132 11.99 -11.51 C:66 9.56 -11.51 C:73 16.85 -11.51 1 19 1 2 19 1 3 20 1 4 21 1 5 23 1 6 14 1 22 7 -2 8 23 1 9 12 2 9 16 1 10 14 1 10 20 2 11 15 1 11 21 2 12 23 1 13 19 2 13 22 1 15 17 1 16 20 1 17 23 1 18 21 1 18 22 1', 'C20H34O3', 322.212, 'C', 'ph66_2316_5', 1716, '', '', '1', 1, NULL, NULL),
(1332, '', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH2:19]=[C:7]([CH2:8][CH2:9][CH:10]=[C:11]([CH3:18])[CH2:12][C:13](=O)[CH:14]=[C:15]([CH3:16])[CH3:17])[CH:6](O)[CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]O', 'C=C(CCC=C(C)CC(=O)C=C(C)C)C(O)CCC(C)=CCO', '[CH2:110]=[C:151]([CH2:31][CH2:27][CH:129]=[C:130]([CH3:17])[CH2:55][C:200](=O)[CH:123]=[C:156]([CH3:28])[CH3:21])[CH:75](O)[CH2:33][CH2:36][C:139]([CH3:16])=[CH:124][CH2:59]O', '23 22 C:19 16.78 -9.38 C:17 7.07 -9.38 C:16 5.86 -11.48 C:20 21.63 -9.38 C:18 11.92 -9.38 O 9.48 -9.38 O 25.26 -11.48 O 17.99 -12.88 C:2 22.84 -11.48 C:10 13.13 -11.48 C:14 8.28 -11.48 C:1 24.05 -10.78 C:9 14.34 -10.78 C:8 15.57 -11.48 C:4 20.42 -11.48 C:5 19.20 -10.78 C:12 10.71 -11.48 C:15 7.07 -10.78 C:3 21.63 -10.78 C:11 11.92 -10.78 C:7 16.78 -10.78 C:13 9.49 -10.78 C:6 17.99 -11.48 1 21 2 2 18 1 3 18 1 4 19 1 5 20 1 6 22 2 7 12 1 8 23 1 9 12 1 9 19 2 10 13 1 10 20 2 11 18 2 11 22 1 13 14 1 14 21 1 15 16 1 15 19 1 16 23 1 17 20 1 17 22 1 21 23 1', '23 22 C 16.78 -9.38 C 7.07 -9.38 C 5.86 -11.48 C 21.63 -9.38 C 11.92 -9.38 O 9.48 -9.38 O 25.26 -11.48 O 17.99 -12.88 C 22.84 -11.48 C 13.13 -11.48 C 8.28 -11.48 C 24.05 -10.78 C 14.34 -10.78 C 15.57 -11.48 C 20.42 -11.48 C 19.20 -10.78 C 10.71 -11.48 C 7.07 -10.78 C 21.63 -10.78 C 11.92 -10.78 C 16.78 -10.78 C 9.49 -10.78 C 17.99 -11.48 1 21 2 2 18 1 3 18 1 4 19 1 5 20 1 6 22 2 7 12 1 8 23 1 9 12 1 9 19 2 10 13 1 10 20 2 11 18 2 11 22 1 13 14 1 14 21 1 15 16 1 15 19 1 16 23 1 17 20 1 17 22 1 21 23 1', '23 22 C:110 16.78 -9.38 C:21 7.07 -9.38 C:28 5.86 -11.48 C:16 21.63 -9.38 C:17 11.92 -9.38 O 9.48 -9.38 O 25.26 -11.48 O 17.99 -12.88 C:124 22.84 -11.48 C:129 13.13 -11.48 C:123 8.28 -11.48 C:59 24.05 -10.78 C:27 14.34 -10.78 C:31 15.57 -11.48 C:36 20.42 -11.48 C:33 19.20 -10.78 C:55 10.71 -11.48 C:156 7.07 -10.78 C:139 21.63 -10.78 C:130 11.92 -10.78 C:151 16.78 -10.78 C:200 9.49 -10.78 C:75 17.99 -11.48 1 21 2 2 18 1 3 18 1 4 19 1 5 20 1 6 22 2 7 12 1 8 23 1 9 12 1 9 19 2 10 13 1 10 20 2 11 18 2 11 22 1 13 14 1 14 21 1 15 16 1 15 19 1 16 23 1 17 20 1 17 22 1 21 23 1', 'C20H32O3', 320.212, 'C', 'ph66_2316_6', 1716, '', '', '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
(1351, 'Acutilol  A ', '', 'Terpenoids', 'Diterpenoids', 'Prenylguaianes', '[H][C@@:7]3([C@H:11]([CH3:19])[CH2:12][CH2:13][CH:14]1O[C:15]1([CH3:16])[CH3:20])[CH2:8][CH2:9][C:10]([CH3:18])=[C:1]2[CH2:2][CH:3]=[C:4]([CH3:17])[C@@:5]2([H])[C@@H:6]3O', '[H][C@@]3([C@H](C)CCC1OC1(C)C)CCC(C)=C2CC=C(C)[C@@]2([H])[C@@H]3O', '[H][C@@:45]3([C@H:34]([CH3:18])[CH2:31][CH2:26][CH:64]1O[C:59]1([CH3:19])[CH3:25])[CH2:21][CH2:35][C:126]([CH3:21])=[C:134]2[CH2:37][CH:123]=[C:142]([CH3:16])[C@@:58]2([H])[C@@H:75]3O', '24 26 H 13.98 -13.20 H 11.67 -12.68 C:17 9.85 -13.47 C:18 12.50 -7.91 C:19 15.47 -14.39 C:16 21.68 -12.26 C:20 20.42 -14.36 O 12.47 -13.89 C:3 9.45 -10.94 C:2 10.31 -9.79 C:9 14.25 -9.63 C:12 16.73 -12.24 C:13 17.96 -12.95 C:8 14.87 -10.94 O 20.42 -11.57 C:4 10.31 -12.10 C:10 12.81 -9.30 C:1 11.70 -10.20 C:11 15.48 -12.94 C:6 12.81 -12.55 C:14 19.20 -12.25 C:15 20.44 -12.96 C:7 14.25 -12.23 C:5 11.70 -11.65 23 1 -2 24 2 -1 3 16 1 4 17 1 19 5 -1 6 22 1 7 22 1 20 8 -1 9 10 1 9 16 2 10 18 1 11 14 1 11 17 1 12 13 1 12 19 1 13 21 1 14 23 1 15 21 1 15 22 1 16 24 1 17 18 2 18 24 1 19 23 1 20 23 1 20 24 1 21 22 1', '24 26 H 13.98 -13.20 H 11.67 -12.68 C 9.85 -13.47 C 12.50 -7.91 C 15.47 -14.39 C 21.68 -12.26 C 20.42 -14.36 O 12.47 -13.89 C 9.45 -10.94 C 10.31 -9.79 C 14.25 -9.63 C 16.73 -12.24 C 17.96 -12.95 C 14.87 -10.94 O 20.42 -11.57 C 10.31 -12.10 C 12.81 -9.30 C 11.70 -10.20 C 15.48 -12.94 C 12.81 -12.55 C 19.20 -12.25 C 20.44 -12.96 C 14.25 -12.23 C 11.70 -11.65 23 1 -2 24 2 -1 3 16 1 4 17 1 19 5 -1 6 22 1 7 22 1 20 8 -1 9 10 1 9 16 2 10 18 1 11 14 1 11 17 1 12 13 1 12 19 1 13 21 1 14 23 1 15 21 1 15 22 1 16 24 1 17 18 2 18 24 1 19 23 1 20 23 1 20 24 1 21 22 1', '24 26 H 13.98 -13.20 H 11.67 -12.68 C:16 9.85 -13.47 C:21 12.50 -7.91 C:18 15.47 -14.39 C:19 21.68 -12.26 C:25 20.42 -14.36 O 12.47 -13.89 C:123 9.45 -10.94 C:37 10.31 -9.79 C:35 14.25 -9.63 C:31 16.73 -12.24 C:26 17.96 -12.95 C:21 14.87 -10.94 O 20.42 -11.57 C:142 10.31 -12.10 C:126 12.81 -9.30 C:134 11.70 -10.20 C:34 15.48 -12.94 C:75 12.81 -12.55 C:64 19.20 -12.25 C:59 20.44 -12.96 C:45 14.25 -12.23 C:58 11.70 -11.65 23 1 -2 24 2 -1 3 16 1 4 17 1 19 5 -1 6 22 1 7 22 1 20 8 -1 9 10 1 9 16 2 10 18 1 11 14 1 11 17 1 12 13 1 12 19 1 13 21 1 14 23 1 15 21 1 15 22 1 16 24 1 17 18 2 18 24 1 19 23 1 20 23 1 20 24 1 21 22 1', 'C20H32O2', 304.229, 'C', 'ph_43_71_1', 827, '', '', '1', 1, NULL, NULL),
(1352, 'Acutilol A acetate', '', 'Terpenoids', 'Diterpenoids', 'Prenylguaianes', '[H][C@@:7]3([C@H:11]([CH3:19])[CH2:12][CH2:13][CH:14]1O[C:15]1([CH3:16])[CH3:20])[CH2:8][CH2:9][C:10]([CH3:18])=[C:1]2[CH2:2][CH:3]=[C:4]([CH3:17])[C@@:5]2([H])[C@@H:6]3O[C:6001]([CH3:6002])=O', '[H][C@@]3([C@H](C)CCC1OC1(C)C)CCC(C)=C2CC=C(C)[C@@]2([H])[C@@H]3OC(C)=O', '[H][C@@:42]3([C@H:35]([CH3:16])[CH2:32][CH2:26][CH:64]1O[C:58]1([CH3:19])[CH3:25])[CH2:21][CH2:33][C:127]([CH3:20])=[C:134]2[CH2:36][CH:125]=[C:141]([CH3:16])[C@@:57]2([H])[C@@H:74]3O[C:170]([CH3:21])=O', '27 29 H 13.96 -12.23 H 11.65 -11.71 C:6002 12.30 -15.34 C:17 9.83 -12.50 C:18 12.48 -6.94 C:19 15.45 -13.42 C:20 20.39 -13.39 C:16 21.65 -11.29 O 14.47 -14.25 C:3 9.43 -9.97 C:2 10.29 -8.82 C:9 14.23 -8.66 C:12 16.71 -11.27 C:13 17.93 -11.98 C:8 14.85 -9.97 O 12.45 -12.92 O 20.41 -10.60 C:6001 13.07 -14.17 C:4 10.29 -11.13 C:10 12.79 -8.34 C:1 11.68 -9.23 C:11 15.46 -11.97 C:14 19.17 -11.28 C:6 12.79 -11.58 C:15 20.41 -11.99 C:7 14.23 -11.26 C:5 11.68 -10.68 26 1 -2 27 2 -1 3 18 1 4 19 1 5 20 1 22 6 -1 7 25 1 8 25 1 9 18 2 10 11 1 10 19 2 11 21 1 12 15 1 12 20 1 13 14 1 13 22 1 14 23 1 15 26 1 16 18 1 24 16 -1 17 23 1 17 25 1 19 27 1 20 21 2 21 27 1 22 26 1 23 25 1 24 26 1 24 27 1', '27 29 H 13.96 -12.23 H 11.65 -11.71 C 12.30 -15.34 C 9.83 -12.50 C 12.48 -6.94 C 15.45 -13.42 C 20.39 -13.39 C 21.65 -11.29 O 14.47 -14.25 C 9.43 -9.97 C 10.29 -8.82 C 14.23 -8.66 C 16.71 -11.27 C 17.93 -11.98 C 14.85 -9.97 O 12.45 -12.92 O 20.41 -10.60 C 13.07 -14.17 C 10.29 -11.13 C 12.79 -8.34 C 11.68 -9.23 C 15.46 -11.97 C 19.17 -11.28 C 12.79 -11.58 C 20.41 -11.99 C 14.23 -11.26 C 11.68 -10.68 26 1 -2 27 2 -1 3 18 1 4 19 1 5 20 1 22 6 -1 7 25 1 8 25 1 9 18 2 10 11 1 10 19 2 11 21 1 12 15 1 12 20 1 13 14 1 13 22 1 14 23 1 15 26 1 16 18 1 24 16 -1 17 23 1 17 25 1 19 27 1 20 21 2 21 27 1 22 26 1 23 25 1 24 26 1 24 27 1', '27 29 H 13.96 -12.23 H 11.65 -11.71 C:21 12.30 -15.34 C:16 9.83 -12.50 C:20 12.48 -6.94 C:16 15.45 -13.42 C:25 20.39 -13.39 C:19 21.65 -11.29 O 14.47 -14.25 C:125 9.43 -9.97 C:36 10.29 -8.82 C:33 14.23 -8.66 C:32 16.71 -11.27 C:26 17.93 -11.98 C:21 14.85 -9.97 O 12.45 -12.92 O 20.41 -10.60 C:170 13.07 -14.17 C:141 10.29 -11.13 C:127 12.79 -8.34 C:134 11.68 -9.23 C:35 15.46 -11.97 C:64 19.17 -11.28 C:74 12.79 -11.58 C:58 20.41 -11.99 C:42 14.23 -11.26 C:57 11.68 -10.68 26 1 -2 27 2 -1 3 18 1 4 19 1 5 20 1 22 6 -1 7 25 1 8 25 1 9 18 2 10 11 1 10 19 2 11 21 1 12 15 1 12 20 1 13 14 1 13 22 1 14 23 1 15 26 1 16 18 1 24 16 -1 17 23 1 17 25 1 19 27 1 20 21 2 21 27 1 22 26 1 23 25 1 24 26 1 24 27 1', 'C22H34O3', 346.249, 'C', 'ph_43_71_2', 827, '', '', '1', 1, NULL, NULL),
(1353, 'Acutilol B', '', 'Terpenoids', 'Diterpenoids', 'Prenylguaianes', '[H][C@@:7]2([C@H:11]([CH3:19])[CH2:12][CH2:13][C:14](=O)[CH:15]([CH3:16])[CH3:20])[CH2:8][CH2:9][C:10]([CH3:18])=[C:1]1[CH2:2][CH:3]=[C:4]([CH3:17])[C@@:5]1([H])[C@@H:6]2O', '[H][C@@]2([C@H](C)CCC(=O)C(C)C)CCC(C)=C1CC=C(C)[C@@]1([H])[C@@H]2O', '[H][C@@:46]2([C@H:34]([CH3:18])[CH2:27][CH2:37][C:217](=O)[CH:41]([CH3:18])[CH3:18])[CH2:21][CH2:38][C:126]([CH3:21])=[C:134]1[CH2:37][CH:122]=[C:144]([CH3:17])[C@@:56]1([H])[C@@H:75]2O', '24 25 H 13.94 -13.21 H 11.60 -12.68 C:18 12.44 -7.85 C:17 9.76 -13.48 C:20 20.46 -14.38 C:16 21.74 -12.26 C:19 15.45 -14.41 O 19.23 -10.85 O 12.41 -13.91 C:3 9.35 -10.92 C:2 10.22 -9.75 C:9 14.21 -9.59 C:13 17.97 -12.96 C:12 16.73 -12.24 C:8 14.84 -10.92 C:10 12.76 -9.26 C:4 10.22 -12.09 C:14 19.23 -12.25 C:1 11.63 -10.17 C:15 20.48 -12.97 C:11 15.46 -12.95 C:6 12.76 -12.55 C:7 14.21 -12.23 C:5 11.63 -11.64 23 1 -2 24 2 -1 3 16 1 4 17 1 5 20 1 6 20 1 21 7 -1 8 18 2 22 9 -1 10 11 1 10 17 2 11 19 1 12 15 1 12 16 1 13 14 1 13 18 1 14 21 1 15 23 1 16 19 2 17 24 1 18 20 1 19 24 1 21 23 1 22 23 1 22 24 1', '24 25 H 13.94 -13.21 H 11.60 -12.68 C 12.44 -7.85 C 9.76 -13.48 C 20.46 -14.38 C 21.74 -12.26 C 15.45 -14.41 O 19.23 -10.85 O 12.41 -13.91 C 9.35 -10.92 C 10.22 -9.75 C 14.21 -9.59 C 17.97 -12.96 C 16.73 -12.24 C 14.84 -10.92 C 12.76 -9.26 C 10.22 -12.09 C 19.23 -12.25 C 11.63 -10.17 C 20.48 -12.97 C 15.46 -12.95 C 12.76 -12.55 C 14.21 -12.23 C 11.63 -11.64 23 1 -2 24 2 -1 3 16 1 4 17 1 5 20 1 6 20 1 21 7 -1 8 18 2 22 9 -1 10 11 1 10 17 2 11 19 1 12 15 1 12 16 1 13 14 1 13 18 1 14 21 1 15 23 1 16 19 2 17 24 1 18 20 1 19 24 1 21 23 1 22 23 1 22 24 1', '24 25 H 13.94 -13.21 H 11.60 -12.68 C:21 12.44 -7.85 C:17 9.76 -13.48 C:18 20.46 -14.38 C:18 21.74 -12.26 C:18 15.45 -14.41 O 19.23 -10.85 O 12.41 -13.91 C:122 9.35 -10.92 C:37 10.22 -9.75 C:38 14.21 -9.59 C:37 17.97 -12.96 C:27 16.73 -12.24 C:21 14.84 -10.92 C:126 12.76 -9.26 C:144 10.22 -12.09 C:217 19.23 -12.25 C:134 11.63 -10.17 C:41 20.48 -12.97 C:34 15.46 -12.95 C:75 12.76 -12.55 C:46 14.21 -12.23 C:56 11.63 -11.64 23 1 -2 24 2 -1 3 16 1 4 17 1 5 20 1 6 20 1 21 7 -1 8 18 2 22 9 -1 10 11 1 10 17 2 11 19 1 12 15 1 12 16 1 13 14 1 13 18 1 14 21 1 15 23 1 16 19 2 17 24 1 18 20 1 19 24 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'C', 'ph_43_71_3', 827, '', '', '1', 1, NULL, NULL),
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(1369, '', '1b,10b-Epoxy-nardosin-7,11-diene', 'Terpenoids', 'Sesquiterpenoids', 'Nardosinanes', '[CH2:12]=[C:11]([CH3:13])[C@@H:6]2[CH:7]=[CH:8][CH2:9][C@@:10]13O[C@@H:1]1[CH2:2][CH2:3][C@@H:4]([CH3:15])[C@:5]23[CH3:14]', 'C=C(C)[C@@H]2C=CC[C@@]13O[C@@H]1CC[C@@H](C)[C@]23C', '[CH2:116]=[C:146]([CH3:29])[C@@H:54]2[CH:130]=[CH:123][CH2:33][C@@:62]13O[C@@H:57]1[CH2:22][CH2:26][C@@H:21]([CH3:16])[C@:38]23[CH3:18]', '16 18 C:12 18.02 -13.87 C:13 15.68 -13.90 C:15 14.28 -13.25 C:14 15.58 -12.52 C:8 18.04 -9.74 C:7 18.04 -11.12 C:9 16.81 -9.02 C:3 13.11 -11.12 C:2 13.11 -9.74 O 15.58 -8.38 C:11 16.83 -13.20 C:4 14.32 -11.85 C:6 16.81 -11.85 C:1 14.32 -9.02 C:5 15.58 -11.12 C:10 15.58 -9.74 1 11 2 2 11 1 12 3 -2 15 4 -2 5 6 2 5 7 1 6 13 1 7 16 1 8 9 1 8 12 1 9 14 1 14 10 -1 16 10 -1 13 11 -1 12 15 1 13 15 1 14 16 1 15 16 1', '16 18 C 18.02 -13.87 C 15.68 -13.90 C 14.28 -13.25 C 15.58 -12.52 C 18.04 -9.74 C 18.04 -11.12 C 16.81 -9.02 C 13.11 -11.12 C 13.11 -9.74 O 15.58 -8.38 C 16.83 -13.20 C 14.32 -11.85 C 16.81 -11.85 C 14.32 -9.02 C 15.58 -11.12 C 15.58 -9.74 1 11 2 2 11 1 12 3 -2 15 4 -2 5 6 2 5 7 1 6 13 1 7 16 1 8 9 1 8 12 1 9 14 1 14 10 -1 16 10 -1 13 11 -1 12 15 1 13 15 1 14 16 1 15 16 1', '16 18 C:116 18.02 -13.87 C:29 15.68 -13.90 C:16 14.28 -13.25 C:18 15.58 -12.52 C:123 18.04 -9.74 C:130 18.04 -11.12 C:33 16.81 -9.02 C:26 13.11 -11.12 C:22 13.11 -9.74 O 15.58 -8.38 C:146 16.83 -13.20 C:21 14.32 -11.85 C:54 16.81 -11.85 C:57 14.32 -9.02 C:38 15.58 -11.12 C:62 15.58 -9.74 1 11 2 2 11 1 12 3 -2 15 4 -2 5 6 2 5 7 1 6 13 1 7 16 1 8 9 1 8 12 1 9 14 1 14 10 -1 16 10 -1 13 11 -1 12 15 1 13 15 1 14 16 1 15 16 1', 'C15H22O', 218.16, 'C', 'ph_53_247_9', 714, '', '', '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
(1370, '', '3-Acetoxy-7,11-dihydroxy-farnesa-1,5,9-triene', 'Terpenoids', 'Sesquiterpenoids', 'Farnesanes', '[CH2:1]=[CH:2][C:3]([CH3:15])([CH2:4][CH:5]=[CH:6][C:7]([CH3:14])(O)[CH2:8][CH:9]=[CH:10][C:11]([CH3:12])([CH3:13])O)O[C:3001]([CH3:3002])=O', 'C=CC(C)(CC=CC(C)(O)CC=CC(C)(C)O)OC(C)=O', '[CH2:114]=[CH:142][C:82]([CH3:24])([CH2:42][CH:122]=[CH:141][C:72]([CH3:28])(O)[CH2:46][CH:122]=[CH:143][C:71]([CH3:30])([CH3:30])O)O[C:170]([CH3:22])=O', '21 20 C:1 17.32 -11.13 C:3002 11.33 -12.23 C:13 19.71 -13.98 C:12 17.30 -13.93 C:14 18.56 -7.68 C:15 13.70 -10.43 O 12.44 -10.00 O 18.52 -14.65 O 19.76 -8.34 C:2 16.07 -11.85 C:9 19.76 -11.13 C:5 16.07 -9.03 C:10 18.54 -11.85 C:6 17.32 -9.74 C:8 19.76 -9.74 C:4 14.86 -9.74 O 13.74 -11.96 C:3001 12.45 -11.40 C:11 18.52 -13.25 C:7 18.55 -9.03 C:3 14.86 -11.13 1 10 2 2 18 1 3 19 1 4 19 1 5 20 1 6 21 1 7 18 2 8 19 1 9 20 1 10 21 1 11 13 2 11 15 1 12 14 2 12 16 1 13 19 1 14 20 1 15 20 1 16 21 1 17 18 1 17 21 1', '21 20 C 17.32 -11.13 C 11.33 -12.23 C 19.71 -13.98 C 17.30 -13.93 C 18.56 -7.68 C 13.70 -10.43 O 12.44 -10.00 O 18.52 -14.65 O 19.76 -8.34 C 16.07 -11.85 C 19.76 -11.13 C 16.07 -9.03 C 18.54 -11.85 C 17.32 -9.74 C 19.76 -9.74 C 14.86 -9.74 O 13.74 -11.96 C 12.45 -11.40 C 18.52 -13.25 C 18.55 -9.03 C 14.86 -11.13 1 10 2 2 18 1 3 19 1 4 19 1 5 20 1 6 21 1 7 18 2 8 19 1 9 20 1 10 21 1 11 13 2 11 15 1 12 14 2 12 16 1 13 19 1 14 20 1 15 20 1 16 21 1 17 18 1 17 21 1', '21 20 C:114 17.32 -11.13 C:22 11.33 -12.23 C:30 19.71 -13.98 C:30 17.30 -13.93 C:28 18.56 -7.68 C:24 13.70 -10.43 O 12.44 -10.00 O 18.52 -14.65 O 19.76 -8.34 C:142 16.07 -11.85 C:122 19.76 -11.13 C:122 16.07 -9.03 C:143 18.54 -11.85 C:141 17.32 -9.74 C:46 19.76 -9.74 C:42 14.86 -9.74 O 13.74 -11.96 C:170 12.45 -11.40 C:71 18.52 -13.25 C:72 18.55 -9.03 C:82 14.86 -11.13 1 10 2 2 18 1 3 19 1 4 19 1 5 20 1 6 21 1 7 18 2 8 19 1 9 20 1 10 21 1 11 13 2 11 15 1 12 14 2 12 16 1 13 19 1 14 20 1 15 20 1 16 21 1 17 18 1 17 21 1', 'C17H28O4', 296.18, 'C', 'ph_53_247_10', 714, '', '', '1', 1, NULL, NULL),
(1371, '(-)-herbertene-1,12-diol', '(-)-4-Hydroxymethyl-2-(1'',2'',2''-trimethylcyclopentyl)phenol', 'Terpenoids', 'Sesquiterpenoids', 'Herbertanes', '[CH3:14][C@@:11]1([CH3:15])[CH2:10][CH2:9][CH2:8][C@:7]1([CH3:13])[c:6]2[cH:5][c:4]([CH2:12]O)[cH:3][cH:2][c:1]2O', 'C[C@@]1(C)CCC[C@]1(C)c2cc(CO)ccc2O', '[CH3:26][C@@:45]1([CH3:27])[CH2:41][CH2:20][CH2:40][C@:51]1([CH3:23])[c:134]2[cH:129][c:132]([CH2:66]O)[cH:126][cH:117][c:154]2O', '17 18 C:15 15.83 -9.52 C:14 14.61 -10.22 C:13 12.19 -7.42 O 8.55 -6.72 O 13.40 -10.92 C:2 10.98 -10.92 C:3 9.76 -10.22 C:5 10.98 -8.12 C:12 8.55 -8.12 C:9 15.08 -6.60 C:10 15.65 -7.88 C:8 13.69 -6.75 C:1 12.19 -10.22 C:4 9.76 -8.82 C:6 12.19 -8.82 C:11 14.61 -8.82 C:7 13.40 -8.12 16 1 -1 16 2 -2 17 3 -2 4 9 1 5 13 1 6 7 1 6 13 2 7 14 2 8 14 1 8 15 2 9 14 1 10 11 1 10 12 1 11 16 1 12 17 1 13 15 1 15 17 1 16 17 1', '17 18 C 15.83 -9.52 C 14.61 -10.22 C 12.19 -7.42 O 8.55 -6.72 O 13.40 -10.92 C 10.98 -10.92 C 9.76 -10.22 C 10.98 -8.12 C 8.55 -8.12 C 15.08 -6.60 C 15.65 -7.88 C 13.69 -6.75 C 12.19 -10.22 C 9.76 -8.82 C 12.19 -8.82 C 14.61 -8.82 C 13.40 -8.12 16 1 -1 16 2 -2 17 3 -2 4 9 1 5 13 1 6 7 1 6 13 2 7 14 2 8 14 1 8 15 2 9 14 1 10 11 1 10 12 1 11 16 1 12 17 1 13 15 1 15 17 1 16 17 1', '17 18 C:27 15.83 -9.52 C:26 14.61 -10.22 C:23 12.19 -7.42 O 8.55 -6.72 O 13.40 -10.92 C:117 10.98 -10.92 C:126 9.76 -10.22 C:129 10.98 -8.12 C:66 8.55 -8.12 C:20 15.08 -6.60 C:41 15.65 -7.88 C:40 13.69 -6.75 C:154 12.19 -10.22 C:132 9.76 -8.82 C:134 12.19 -8.82 C:45 14.61 -8.82 C:51 13.40 -8.12 16 1 -1 16 2 -2 17 3 -2 4 9 1 5 13 1 6 7 1 6 13 2 7 14 2 8 14 1 8 15 2 9 14 1 10 11 1 10 12 1 11 16 1 12 17 1 13 15 1 15 17 1 16 17 1', 'C15H22O2', 234.159, 'C', 'ph64_1335_2', 622, '', '', '1', 1, NULL, NULL),
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(1394, 'Pellialactone', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:11]2([C@H:7]([CH:8]=[C:9]([CH3:16])[CH:10]=O)[C:6]1=[C:5]([CH3:17])[CH2:4][CH2:3][CH2:2][C@:1]1([CH3:18])[CH3:19])[CH:12]=[C:13]([CH3:15])[C:14](=O)O2', '[H][C@]2([C@H](C=C(C)C=O)C1=C(C)CCC[C@]1(C)C)C=C(C)C(=O)O2', '[H][C@:83]2([C@H:46]([CH:151]=[C:141]([CH3:10])[CH:195]=O)[C:135]1=[C:132]([CH3:22])[CH2:34][CH2:19][CH2:40][C@:36]1([CH3:29])[CH3:28])[CH:148]=[C:131]([CH3:11])[C:173](=O)O2', '23 24 H 16.19 -11.11 C:16 17.41 -9.99 C:15 18.29 -15.11 C:17 12.49 -9.99 C:19 15.07 -13.17 C:18 14.08 -14.89 O 17.41 -7.14 O 19.84 -12.44 C:10 16.18 -7.85 C:8 14.94 -9.99 C:12 16.32 -13.52 C:3 11.27 -13.53 C:4 11.27 -12.12 C:2 12.49 -14.24 O 17.48 -11.54 C:9 16.18 -9.27 C:13 17.71 -13.82 C:5 12.49 -11.41 C:14 18.42 -12.59 C:6 13.72 -12.12 C:7 14.94 -11.41 C:1 13.72 -13.53 C:11 16.18 -12.12 23 1 -1 2 16 1 3 17 1 4 18 1 22 5 -1 22 6 -2 7 9 2 8 19 2 9 16 1 10 16 2 21 10 -1 11 17 2 11 23 1 12 13 1 12 14 1 13 18 1 14 22 1 15 19 1 15 23 1 17 19 1 18 20 2 20 21 1 20 22 1 21 23 1', '23 24 H 16.19 -11.11 C 17.41 -9.99 C 18.29 -15.11 C 12.49 -9.99 C 15.07 -13.17 C 14.08 -14.89 O 17.41 -7.14 O 19.84 -12.44 C 16.18 -7.85 C 14.94 -9.99 C 16.32 -13.52 C 11.27 -13.53 C 11.27 -12.12 C 12.49 -14.24 O 17.48 -11.54 C 16.18 -9.27 C 17.71 -13.82 C 12.49 -11.41 C 18.42 -12.59 C 13.72 -12.12 C 14.94 -11.41 C 13.72 -13.53 C 16.18 -12.12 23 1 -1 2 16 1 3 17 1 4 18 1 22 5 -1 22 6 -2 7 9 2 8 19 2 9 16 1 10 16 2 21 10 -1 11 17 2 11 23 1 12 13 1 12 14 1 13 18 1 14 22 1 15 19 1 15 23 1 17 19 1 18 20 2 20 21 1 20 22 1 21 23 1', '23 24 H 16.19 -11.11 C:10 17.41 -9.99 C:11 18.29 -15.11 C:22 12.49 -9.99 C:28 15.07 -13.17 C:29 14.08 -14.89 O 17.41 -7.14 O 19.84 -12.44 C:195 16.18 -7.85 C:151 14.94 -9.99 C:148 16.32 -13.52 C:19 11.27 -13.53 C:34 11.27 -12.12 C:40 12.49 -14.24 O 17.48 -11.54 C:141 16.18 -9.27 C:131 17.71 -13.82 C:132 12.49 -11.41 C:173 18.42 -12.59 C:135 13.72 -12.12 C:46 14.94 -11.41 C:36 13.72 -13.53 C:83 16.18 -12.12 23 1 -1 2 16 1 3 17 1 4 18 1 22 5 -1 22 6 -2 7 9 2 8 19 2 9 16 1 10 16 2 21 10 -1 11 17 2 11 23 1 12 13 1 12 14 1 13 18 1 14 22 1 15 19 1 15 23 1 17 19 1 18 20 2 20 21 1 20 22 1 21 23 1', 'C19H26O3', 302.209, 'C', 'ph_47_237_15', 444, '', '', '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
(1395, 'Sacculatal', '7,17-Sacculatadien-11,12-dial', 'Terpenoids', 'Diterpenoids', 'Sacculatanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH:12]=O)[C@H:9]([CH:11]=O)[C@@:10]1([CH3:13])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:14])[CH2:15][CH2:16][CH:17]=[C:18]([CH3:20])[CH3:19]', '[H][C@@]12CC=C(C=O)[C@H](C=O)[C@@]1(C)CCC[C@@]2(C)CCC=C(C)C', '[H][C@@:47]12[CH2:25][CH:154]=[C:138]([CH:193]=O)[C@H:60]([CH:202]=O)[C@@:37]1([CH3:16])[CH2:39][CH2:18][CH2:37][C@@:36]2([CH3:21])[CH2:44][CH2:22][CH:125]=[C:132]([CH3:18])[CH3:26]', '23 24 H 14.33 -11.32 C:19 11.91 -16.07 C:20 14.34 -16.06 C:14 11.88 -11.88 C:13 14.33 -7.56 O 19.26 -9.02 O 16.83 -6.20 C:12 18.06 -8.31 C:11 15.61 -6.89 C:17 13.11 -13.96 C:7 16.84 -10.45 C:16 14.32 -13.26 C:2 11.84 -9.00 C:6 15.60 -11.17 C:15 14.31 -11.86 C:3 11.84 -10.45 C:1 13.09 -8.28 C:18 13.12 -15.37 C:8 16.84 -9.00 C:9 15.60 -8.28 C:4 13.09 -11.17 C:5 14.33 -10.45 C:10 14.33 -9.00 22 1 -2 2 18 1 3 18 1 21 4 -1 23 5 -1 6 8 2 7 9 2 8 19 1 20 9 -1 10 12 1 10 18 2 11 14 1 11 19 2 12 15 1 13 16 1 13 17 1 14 22 1 21 15 -2 16 21 1 17 23 1 19 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.33 -11.32 C 11.91 -16.07 C 14.34 -16.06 C 11.88 -11.88 C 14.33 -7.56 O 19.26 -9.02 O 16.83 -6.20 C 18.06 -8.31 C 15.61 -6.89 C 13.11 -13.96 C 16.84 -10.45 C 14.32 -13.26 C 11.84 -9.00 C 15.60 -11.17 C 14.31 -11.86 C 11.84 -10.45 C 13.09 -8.28 C 13.12 -15.37 C 16.84 -9.00 C 15.60 -8.28 C 13.09 -11.17 C 14.33 -10.45 C 14.33 -9.00 22 1 -2 2 18 1 3 18 1 21 4 -1 23 5 -1 6 8 2 7 9 2 8 19 1 20 9 -1 10 12 1 10 18 2 11 14 1 11 19 2 12 15 1 13 16 1 13 17 1 14 22 1 21 15 -2 16 21 1 17 23 1 19 20 1 20 23 1 21 22 1 22 23 1', '23 24 H 14.33 -11.32 C:26 11.91 -16.07 C:18 14.34 -16.06 C:21 11.88 -11.88 C:16 14.33 -7.56 O 19.26 -9.02 O 16.83 -6.20 C:193 18.06 -8.31 C:202 15.61 -6.89 C:125 13.11 -13.96 C:154 16.84 -10.45 C:22 14.32 -13.26 C:18 11.84 -9.00 C:25 15.60 -11.17 C:44 14.31 -11.86 C:37 11.84 -10.45 C:39 13.09 -8.28 C:132 13.12 -15.37 C:138 16.84 -9.00 C:60 15.60 -8.28 C:36 13.09 -11.17 C:47 14.33 -10.45 C:37 14.33 -9.00 22 1 -2 2 18 1 3 18 1 21 4 -1 23 5 -1 6 8 2 7 9 2 8 19 1 20 9 -1 10 12 1 10 18 2 11 14 1 11 19 2 12 15 1 13 16 1 13 17 1 14 22 1 21 15 -2 16 21 1 17 23 1 19 20 1 20 23 1 21 22 1 22 23 1', 'C20H30O2', 302.221, 'C', 'ph66_1094_1', 621, 'Corregida', '', '1', 1, NULL, NULL),
(1396, 'Sacculatanolide', '7,17-Sacculatadien-12,11-olide', 'Terpenoids', 'Diterpenoids', 'Sacculatanes', '[H][C@:9]12[CH2:11]O[C:12](=O)[C:8]1=[CH:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:14])([CH2:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:20])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:13]', '[H][C@]12COC(=O)C1=CC[C@@]3([H])[C@](C)(CCC=C(C)C)CCC[C@]23C', '[H][C@:51]12[CH2:67]O[C:170](=O)[C:127]1=[CH:136][CH2:25][C@@:48]3([H])[C@:35]([CH3:20])([CH2:44][CH2:22][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:38][CH2:18][CH2:39][C@:34]23[CH3:14]', '24 26 H 14.90 -7.62 H 14.34 -10.98 C:20 14.35 -15.90 C:19 11.88 -15.91 C:14 11.85 -11.64 C:13 14.34 -7.22 O 19.32 -8.01 C:17 13.10 -13.76 C:7 16.91 -10.16 C:16 14.33 -13.02 C:2 11.80 -8.68 C:6 15.63 -10.91 C:15 14.32 -11.62 C:3 11.80 -10.16 C:1 13.08 -7.95 C:11 15.95 -6.57 O 17.37 -6.42 C:18 13.11 -15.19 C:12 17.95 -7.72 C:8 16.91 -8.68 C:4 13.08 -10.91 C:9 15.63 -7.95 C:5 14.34 -10.16 C:10 14.34 -8.68 22 1 -2 23 2 -2 3 18 1 4 18 1 21 5 -1 24 6 -1 7 19 2 8 10 1 8 18 2 9 12 1 9 20 2 10 13 1 11 14 1 11 15 1 12 23 1 21 13 -2 14 21 1 15 24 1 16 17 1 16 22 1 17 19 1 19 20 1 20 22 1 21 23 1 22 24 1 23 24 1', '24 26 H 14.90 -7.62 H 14.34 -10.98 C 14.35 -15.90 C 11.88 -15.91 C 11.85 -11.64 C 14.34 -7.22 O 19.32 -8.01 C 13.10 -13.76 C 16.91 -10.16 C 14.33 -13.02 C 11.80 -8.68 C 15.63 -10.91 C 14.32 -11.62 C 11.80 -10.16 C 13.08 -7.95 C 15.95 -6.57 O 17.37 -6.42 C 13.11 -15.19 C 17.95 -7.72 C 16.91 -8.68 C 13.08 -10.91 C 15.63 -7.95 C 14.34 -10.16 C 14.34 -8.68 22 1 -2 23 2 -2 3 18 1 4 18 1 21 5 -1 24 6 -1 7 19 2 8 10 1 8 18 2 9 12 1 9 20 2 10 13 1 11 14 1 11 15 1 12 23 1 21 13 -2 14 21 1 15 24 1 16 17 1 16 22 1 17 19 1 19 20 1 20 22 1 21 23 1 22 24 1 23 24 1', '24 26 H 14.90 -7.62 H 14.34 -10.98 C:18 14.35 -15.90 C:26 11.88 -15.91 C:20 11.85 -11.64 C:14 14.34 -7.22 O 19.32 -8.01 C:125 13.10 -13.76 C:136 16.91 -10.16 C:22 14.33 -13.02 C:18 11.80 -8.68 C:25 15.63 -10.91 C:44 14.32 -11.62 C:38 11.80 -10.16 C:39 13.08 -7.95 C:67 15.95 -6.57 O 17.37 -6.42 C:131 13.11 -15.19 C:170 17.95 -7.72 C:127 16.91 -8.68 C:35 13.08 -10.91 C:51 15.63 -7.95 C:48 14.34 -10.16 C:34 14.34 -8.68 22 1 -2 23 2 -2 3 18 1 4 18 1 21 5 -1 24 6 -1 7 19 2 8 10 1 8 18 2 9 12 1 9 20 2 10 13 1 11 14 1 11 15 1 12 23 1 21 13 -2 14 21 1 15 24 1 16 17 1 16 22 1 17 19 1 19 20 1 20 22 1 21 23 1 22 24 1 23 24 1', 'C20H30O2', 302.229, 'C', 'ph66_1094_2', 621, '', '', '1', 1, NULL, NULL),
(1397, '', '17,18-Epoxy-7-sacculaten-12,11-olide', 'Terpenoids', 'Diterpenoids', 'Sacculatanes', '[H][C@:9]13[CH2:11]O[C:12](=O)[C:8]1=[CH:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:14])([CH2:15][CH2:16][CH:17]2O[C:18]2([CH3:19])[CH3:20])[CH2:3][CH2:2][CH2:1][C@:10]34[CH3:13]', '[H][C@]13COC(=O)C1=CC[C@@]4([H])[C@](C)(CCC2OC2(C)C)CCC[C@]34C', '[H][C@:51]13[CH2:67]O[C:170](=O)[C:127]1=[CH:136][CH2:25][C@@:48]4([H])[C@:35]([CH3:20])([CH2:40][CH2:25][CH:65]2O[C:58]2([CH3:26])[CH3:18])[CH2:38][CH2:18][CH2:39][C@:34]34[CH3:14]', '25 28 H 14.89 -7.62 H 14.33 -10.98 C:20 14.34 -15.89 C:19 11.87 -15.90 C:14 11.84 -11.64 C:13 14.33 -7.22 O 19.31 -8.01 C:7 16.90 -10.16 C:2 11.79 -8.68 C:6 15.62 -10.91 C:16 14.32 -13.02 C:3 11.79 -10.16 C:1 13.07 -7.95 C:15 14.31 -11.62 C:11 15.94 -6.57 O 17.36 -6.42 O 11.88 -14.48 C:12 17.94 -7.72 C:8 16.90 -8.68 C:17 13.09 -13.75 C:18 13.10 -15.18 C:4 13.07 -10.91 C:9 15.62 -7.95 C:5 14.33 -10.16 C:10 14.33 -8.68 23 1 -2 24 2 -2 3 21 1 4 21 1 22 5 -1 25 6 -1 7 18 2 8 10 1 8 19 2 9 12 1 9 13 1 10 24 1 11 14 1 11 20 1 12 22 1 13 25 1 22 14 -2 15 16 1 15 23 1 16 18 1 17 20 1 17 21 1 18 19 1 19 23 1 20 21 1 22 24 1 23 25 1 24 25 1', '25 28 H 14.89 -7.62 H 14.33 -10.98 C 14.34 -15.89 C 11.87 -15.90 C 11.84 -11.64 C 14.33 -7.22 O 19.31 -8.01 C 16.90 -10.16 C 11.79 -8.68 C 15.62 -10.91 C 14.32 -13.02 C 11.79 -10.16 C 13.07 -7.95 C 14.31 -11.62 C 15.94 -6.57 O 17.36 -6.42 O 11.88 -14.48 C 17.94 -7.72 C 16.90 -8.68 C 13.09 -13.75 C 13.10 -15.18 C 13.07 -10.91 C 15.62 -7.95 C 14.33 -10.16 C 14.33 -8.68 23 1 -2 24 2 -2 3 21 1 4 21 1 22 5 -1 25 6 -1 7 18 2 8 10 1 8 19 2 9 12 1 9 13 1 10 24 1 11 14 1 11 20 1 12 22 1 13 25 1 22 14 -2 15 16 1 15 23 1 16 18 1 17 20 1 17 21 1 18 19 1 19 23 1 20 21 1 22 24 1 23 25 1 24 25 1', '25 28 H 14.89 -7.62 H 14.33 -10.98 C:18 14.34 -15.89 C:26 11.87 -15.90 C:20 11.84 -11.64 C:14 14.33 -7.22 O 19.31 -8.01 C:136 16.90 -10.16 C:18 11.79 -8.68 C:25 15.62 -10.91 C:25 14.32 -13.02 C:38 11.79 -10.16 C:39 13.07 -7.95 C:40 14.31 -11.62 C:67 15.94 -6.57 O 17.36 -6.42 O 11.88 -14.48 C:170 17.94 -7.72 C:127 16.90 -8.68 C:65 13.09 -13.75 C:58 13.10 -15.18 C:35 13.07 -10.91 C:51 15.62 -7.95 C:48 14.33 -10.16 C:34 14.33 -8.68 23 1 -2 24 2 -2 3 21 1 4 21 1 22 5 -1 25 6 -1 7 18 2 8 10 1 8 19 2 9 12 1 9 13 1 10 24 1 11 14 1 11 20 1 12 22 1 13 25 1 22 14 -2 15 16 1 15 23 1 16 18 1 17 20 1 17 21 1 18 19 1 19 23 1 20 21 1 22 24 1 23 25 1 24 25 1', 'C20H30O3', 318.228, 'C', 'ph66_1094_3', 621, '', '', '1', 1, NULL, NULL),
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(1412, 'Peroxypolasol', '', 'Terpenoids', 'Diterpenoids', 'Sphenolobanes', '[H][C@:10]12[CH2:1][CH2:2][C:3]([CH3:11])=[CH:4][CH2:5][C@:6]1([CH3:12])[CH2:7][CH2:8][C@@H:9]2[C:13]3([CH3:14])[CH2:15][CH2:16][CH:17]([C:18]([CH3:20])([CH3:19])O)OO3', '[H][C@]12CCC(C)=CC[C@]1(C)CC[C@@H]2C3(C)CCC(C(C)(C)O)OO3', '[H][C@:55]12[CH2:26][CH2:34][C:139]([CH3:27])=[CH:122][CH2:41][C@:43]1([CH3:19])[CH2:41][CH2:25][C@@H:52]2[C:87]3([CH3:24])[CH2:35][CH2:26][CH:83]([C:72]([CH3:27])([CH3:24])O)OO3', '24 26 H 15.63 -12.27 C:11 11.10 -13.99 C:20 20.08 -7.19 C:19 17.77 -6.44 C:14 18.37 -12.55 C:12 15.63 -16.13 O 19.14 -6.15 C:4 13.14 -15.28 C:5 14.54 -15.59 C:2 13.14 -12.73 C:16 19.22 -9.86 C:8 17.82 -13.99 C:15 18.81 -11.21 C:1 14.54 -12.40 C:7 16.99 -15.15 O 16.91 -9.10 O 16.48 -10.44 C:3 12.51 -13.99 C:17 18.28 -8.81 C:9 16.99 -12.86 C:18 18.71 -7.48 C:13 17.43 -11.50 C:6 15.63 -14.70 C:10 15.63 -13.29 24 1 -1 2 18 1 3 21 1 4 21 1 5 22 1 23 6 -2 7 21 1 8 9 1 8 18 2 9 23 1 10 14 1 10 18 1 11 13 1 11 19 1 12 15 1 12 20 1 13 22 1 14 24 1 15 23 1 16 17 1 16 19 1 17 22 1 19 21 1 20 22 -1 20 24 1 23 24 1', '24 26 H 15.63 -12.27 C 11.10 -13.99 C 20.08 -7.19 C 17.77 -6.44 C 18.37 -12.55 C 15.63 -16.13 O 19.14 -6.15 C 13.14 -15.28 C 14.54 -15.59 C 13.14 -12.73 C 19.22 -9.86 C 17.82 -13.99 C 18.81 -11.21 C 14.54 -12.40 C 16.99 -15.15 O 16.91 -9.10 O 16.48 -10.44 C 12.51 -13.99 C 18.28 -8.81 C 16.99 -12.86 C 18.71 -7.48 C 17.43 -11.50 C 15.63 -14.70 C 15.63 -13.29 24 1 -1 2 18 1 3 21 1 4 21 1 5 22 1 23 6 -2 7 21 1 8 9 1 8 18 2 9 23 1 10 14 1 10 18 1 11 13 1 11 19 1 12 15 1 12 20 1 13 22 1 14 24 1 15 23 1 16 17 1 16 19 1 17 22 1 19 21 1 20 22 -1 20 24 1 23 24 1', '24 26 H 15.63 -12.27 C:27 11.10 -13.99 C:27 20.08 -7.19 C:24 17.77 -6.44 C:24 18.37 -12.55 C:19 15.63 -16.13 O 19.14 -6.15 C:122 13.14 -15.28 C:41 14.54 -15.59 C:34 13.14 -12.73 C:26 19.22 -9.86 C:25 17.82 -13.99 C:35 18.81 -11.21 C:26 14.54 -12.40 C:41 16.99 -15.15 O 16.91 -9.10 O 16.48 -10.44 C:139 12.51 -13.99 C:83 18.28 -8.81 C:52 16.99 -12.86 C:72 18.71 -7.48 C:87 17.43 -11.50 C:43 15.63 -14.70 C:55 15.63 -13.29 24 1 -1 2 18 1 3 21 1 4 21 1 5 22 1 23 6 -2 7 21 1 8 9 1 8 18 2 9 23 1 10 14 1 10 18 1 11 13 1 11 19 1 12 15 1 12 20 1 13 22 1 14 24 1 15 23 1 16 17 1 16 19 1 17 22 1 19 21 1 20 22 -1 20 24 1 23 24 1', 'C20H34O3', 322.22, 'C', 'np98_1435_1', 2330, '', '', '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
(1413, 'Mugipolasol', '', 'Terpenoids', 'Diterpenoids', 'Sphenolobanes', '[H][C@:10]12[CH2:1][C@@H:2]([C:3]([CH3:11])=O)[C@H:4](O)[CH2:5][C@:6]1([CH3:12])[CH2:7][CH2:8][C@@H:9]2[C:13]([CH3:14])(O)[CH2:15][CH2:16][CH:17]=[C:18]([CH3:20])[CH3:19]', '[H][C@]12C[C@@H](C(C)=O)[C@H](O)C[C@]1(C)CC[C@@H]2C(C)(O)CCC=C(C)C', '[H][C@:48]12[CH2:28][C@@H:59]([C:213]([CH3:29])=O)[C@H:68](O)[CH2:46][C@:43]1([CH3:19])[CH2:38][CH2:25][C@@H:50]2[C:75]([CH3:26])(O)[CH2:39][CH2:23][CH:124]=[C:132]([CH3:26])[CH3:18]', '24 25 H 14.04 -10.27 C:19 20.10 -12.38 C:20 21.94 -10.73 C:11 9.18 -11.30 C:14 14.90 -8.44 C:12 14.04 -14.14 O 10.39 -9.20 O 10.39 -13.40 O 16.28 -8.16 C:17 19.59 -9.97 C:16 18.20 -10.26 C:8 16.24 -12.00 C:15 17.24 -9.20 C:7 15.41 -13.16 C:1 12.83 -10.59 C:5 12.83 -13.40 C:18 20.55 -11.02 C:3 10.39 -10.60 C:4 11.60 -12.70 C:2 11.60 -11.29 C:9 15.41 -10.85 C:13 15.85 -9.49 C:10 14.04 -11.28 C:6 14.04 -12.71 23 1 -1 2 17 1 3 17 1 4 18 1 5 22 1 24 6 -2 7 18 2 19 8 -1 9 22 1 10 11 1 10 17 2 11 13 1 12 14 1 12 21 1 13 22 1 14 24 1 15 20 1 15 23 1 16 19 1 16 24 1 20 18 -2 19 20 1 21 22 -1 21 23 1 23 24 1', '24 25 H 14.04 -10.27 C 20.10 -12.38 C 21.94 -10.73 C 9.18 -11.30 C 14.90 -8.44 C 14.04 -14.14 O 10.39 -9.20 O 10.39 -13.40 O 16.28 -8.16 C 19.59 -9.97 C 18.20 -10.26 C 16.24 -12.00 C 17.24 -9.20 C 15.41 -13.16 C 12.83 -10.59 C 12.83 -13.40 C 20.55 -11.02 C 10.39 -10.60 C 11.60 -12.70 C 11.60 -11.29 C 15.41 -10.85 C 15.85 -9.49 C 14.04 -11.28 C 14.04 -12.71 23 1 -1 2 17 1 3 17 1 4 18 1 5 22 1 24 6 -2 7 18 2 19 8 -1 9 22 1 10 11 1 10 17 2 11 13 1 12 14 1 12 21 1 13 22 1 14 24 1 15 20 1 15 23 1 16 19 1 16 24 1 20 18 -2 19 20 1 21 22 -1 21 23 1 23 24 1', '24 25 H 14.04 -10.27 C:18 20.10 -12.38 C:26 21.94 -10.73 C:29 9.18 -11.30 C:26 14.90 -8.44 C:19 14.04 -14.14 O 10.39 -9.20 O 10.39 -13.40 O 16.28 -8.16 C:124 19.59 -9.97 C:23 18.20 -10.26 C:25 16.24 -12.00 C:39 17.24 -9.20 C:38 15.41 -13.16 C:28 12.83 -10.59 C:46 12.83 -13.40 C:132 20.55 -11.02 C:213 10.39 -10.60 C:68 11.60 -12.70 C:59 11.60 -11.29 C:50 15.41 -10.85 C:75 15.85 -9.49 C:48 14.04 -11.28 C:43 14.04 -12.71 23 1 -1 2 17 1 3 17 1 4 18 1 5 22 1 24 6 -2 7 18 2 19 8 -1 9 22 1 10 11 1 10 17 2 11 13 1 12 14 1 12 21 1 13 22 1 14 24 1 15 20 1 15 23 1 16 19 1 16 24 1 20 18 -2 19 20 1 21 22 -1 21 23 1 23 24 1', 'C20H34O3', 322.22, 'C', 'np98_1435_2', 2330, '', '', '1', 1, NULL, NULL),
(1414, '', 'Sphenoloba-13E,16E,18-trien-4-one', 'Terpenoids', 'Diterpenoids', 'Sphenolobanes', '[H][C@@:10]12[CH2:1][CH2:2][C@@H:3]([CH3:11])[C:4](=O)[CH2:5][C@@:6]1([CH3:12])[CH2:7][CH2:8][CH:9]2[C:13]([CH3:14])=[CH:15][CH:16]=[CH:17][C:18](=[CH2:19])[CH3:20]', '[H][C@@]12CC[C@@H](C)C(=O)C[C@@]1(C)CCC2C(C)=CC=CC(=C)C', '[H][C@@:55]12[CH2:27][CH2:34][C@@H:48]([CH3:18])[C:215](=O)[CH2:56][C@@:41]1([CH3:20])[CH2:42][CH2:27][CH:53]2[C:141]([CH3:13])=[CH:126][CH:125]=[CH:133][C:142](=[CH2:116])[CH3:19]', '22 23 H 13.92 -10.00 C:19 19.94 -12.10 C:20 21.78 -10.46 C:14 14.76 -8.18 C:11 9.40 -11.72 C:12 13.92 -13.85 O 10.56 -14.10 C:16 18.05 -9.99 C:17 19.43 -9.70 C:15 17.09 -8.94 C:2 11.43 -10.45 C:8 16.10 -11.72 C:1 12.83 -10.13 C:7 15.27 -12.88 C:5 12.83 -13.32 C:18 20.39 -10.75 C:13 15.71 -9.23 C:4 11.43 -13.01 C:3 10.81 -11.72 C:9 15.27 -10.58 C:10 13.92 -11.01 C:6 13.92 -12.43 21 1 -2 2 16 2 3 16 1 4 17 1 19 5 -2 22 6 -1 7 18 2 8 9 2 8 10 1 9 16 1 10 17 2 11 13 1 11 19 1 12 14 1 12 20 1 13 21 1 14 22 1 15 18 1 15 22 1 17 20 -2 18 19 1 20 21 1 21 22 1', '22 23 H 13.92 -10.00 C 19.94 -12.10 C 21.78 -10.46 C 14.76 -8.18 C 9.40 -11.72 C 13.92 -13.85 O 10.56 -14.10 C 18.05 -9.99 C 19.43 -9.70 C 17.09 -8.94 C 11.43 -10.45 C 16.10 -11.72 C 12.83 -10.13 C 15.27 -12.88 C 12.83 -13.32 C 20.39 -10.75 C 15.71 -9.23 C 11.43 -13.01 C 10.81 -11.72 C 15.27 -10.58 C 13.92 -11.01 C 13.92 -12.43 21 1 -2 2 16 2 3 16 1 4 17 1 19 5 -2 22 6 -1 7 18 2 8 9 2 8 10 1 9 16 1 10 17 2 11 13 1 11 19 1 12 14 1 12 20 1 13 21 1 14 22 1 15 18 1 15 22 1 17 20 -2 18 19 1 20 21 1 21 22 1', '22 23 H 13.92 -10.00 C:116 19.94 -12.10 C:19 21.78 -10.46 C:13 14.76 -8.18 C:18 9.40 -11.72 C:20 13.92 -13.85 O 10.56 -14.10 C:125 18.05 -9.99 C:133 19.43 -9.70 C:126 17.09 -8.94 C:34 11.43 -10.45 C:27 16.10 -11.72 C:27 12.83 -10.13 C:42 15.27 -12.88 C:56 12.83 -13.32 C:142 20.39 -10.75 C:141 15.71 -9.23 C:215 11.43 -13.01 C:48 10.81 -11.72 C:53 15.27 -10.58 C:55 13.92 -11.01 C:41 13.92 -12.43 21 1 -2 2 16 2 3 16 1 4 17 1 19 5 -2 22 6 -1 7 18 2 8 9 2 8 10 1 9 16 1 10 17 2 11 13 1 11 19 1 12 14 1 12 20 1 13 21 1 14 22 1 15 18 1 15 22 1 17 20 -2 18 19 1 20 21 1 21 22 1', 'C20H30O', 286.221, 'C', 'ph43_1297_1', 260, '', '', '1', 1, NULL, NULL),
(1415, '', '18-Hydroxysphenoloba-13E,16E-dien-4-one', 'Terpenoids', 'Diterpenoids', 'Sphenolobanes', '[H][C@@:10]12[CH2:1][CH2:2][C@@H:3]([CH3:11])[C:4](=O)[CH2:5][C@@:6]1([CH3:12])[CH2:7][CH2:8][CH:9]2[C:13]([CH3:14])=[CH:15][CH:16]=[CH:17][C:18]([CH3:20])([CH3:19])O', '[H][C@@]12CC[C@@H](C)C(=O)C[C@@]1(C)CCC2C(C)=CC=CC(C)(C)O', '[H][C@@:55]12[CH2:27][CH2:34][C@@H:48]([CH3:19])[C:216](=O)[CH2:56][C@@:41]1([CH3:20])[CH2:42][CH2:27][CH:53]2[C:140]([CH3:13])=[CH:125][CH:123]=[CH:139][C:71]([CH3:30])([CH3:30])O', '23 24 H 13.92 -10.00 C:14 14.76 -8.18 C:11 9.40 -11.72 C:19 19.94 -12.10 C:20 21.78 -10.46 C:12 13.92 -13.85 O 10.56 -14.10 O 21.62 -11.41 C:16 18.05 -9.99 C:15 17.09 -8.94 C:17 19.43 -9.70 C:2 11.43 -10.45 C:8 16.10 -11.72 C:1 12.83 -10.13 C:7 15.27 -12.88 C:5 12.83 -13.32 C:13 15.71 -9.23 C:4 11.43 -13.01 C:3 10.81 -11.72 C:9 15.27 -10.58 C:18 20.39 -10.75 C:10 13.92 -11.01 C:6 13.92 -12.43 22 1 -2 2 17 1 19 3 -2 4 21 1 5 21 1 23 6 -1 7 18 2 8 21 1 9 10 1 9 11 2 10 17 2 11 21 1 12 14 1 12 19 1 13 15 1 13 20 1 14 22 1 15 23 1 16 18 1 16 23 1 17 20 -2 18 19 1 20 22 1 22 23 1', '23 24 H 13.92 -10.00 C 14.76 -8.18 C 9.40 -11.72 C 19.94 -12.10 C 21.78 -10.46 C 13.92 -13.85 O 10.56 -14.10 O 21.62 -11.41 C 18.05 -9.99 C 17.09 -8.94 C 19.43 -9.70 C 11.43 -10.45 C 16.10 -11.72 C 12.83 -10.13 C 15.27 -12.88 C 12.83 -13.32 C 15.71 -9.23 C 11.43 -13.01 C 10.81 -11.72 C 15.27 -10.58 C 20.39 -10.75 C 13.92 -11.01 C 13.92 -12.43 22 1 -2 2 17 1 19 3 -2 4 21 1 5 21 1 23 6 -1 7 18 2 8 21 1 9 10 1 9 11 2 10 17 2 11 21 1 12 14 1 12 19 1 13 15 1 13 20 1 14 22 1 15 23 1 16 18 1 16 23 1 17 20 -2 18 19 1 20 22 1 22 23 1', '23 24 H 13.92 -10.00 C:13 14.76 -8.18 C:19 9.40 -11.72 C:30 19.94 -12.10 C:30 21.78 -10.46 C:20 13.92 -13.85 O 10.56 -14.10 O 21.62 -11.41 C:123 18.05 -9.99 C:125 17.09 -8.94 C:139 19.43 -9.70 C:34 11.43 -10.45 C:27 16.10 -11.72 C:27 12.83 -10.13 C:42 15.27 -12.88 C:56 12.83 -13.32 C:140 15.71 -9.23 C:216 11.43 -13.01 C:48 10.81 -11.72 C:53 15.27 -10.58 C:71 20.39 -10.75 C:55 13.92 -11.01 C:41 13.92 -12.43 22 1 -2 2 17 1 19 3 -2 4 21 1 5 21 1 23 6 -1 7 18 2 8 21 1 9 10 1 9 11 2 10 17 2 11 21 1 12 14 1 12 19 1 13 15 1 13 20 1 14 22 1 15 23 1 16 18 1 16 23 1 17 20 -2 18 19 1 20 22 1 22 23 1', 'C20H32O2', 304.221, 'C', 'ph43_1297_2', 260, '', '', '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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(1446, 'Methyl thyrsiflorin B acetate', '', 'Terpenoids', 'Diterpenoids', 'Thyrsifloranes', '[H][C@:8]14[CH2:14][C@@H:13](O[C:13001](=O)[CH2:13002][C:13003](=O)O[CH3:13004])[C@@:12]2([CH3:17])[CH2:15][CH2:16][C@@:9]1([CH2:11]2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]([CH3:19])([CH3:18])[C@:5]3([H])[CH2:6][C@@H:7]4O[C:7001]([CH3:7002])=O', '[H][C@]14C[C@@H](OC(=O)CC(=O)OC)[C@@]2(C)CC[C@@]1(C2)[C@@]3(C)CCC[C@@](C)(C)[C@]3([H])C[C@@H]4OC(C)=O', '[H][C@:42]14[CH2:30][C@@H:78](O[C:167](=O)[CH2:42][C:167](=O)O[CH3:53])[C@@:43]2([CH3:23])[CH2:32][CH2:26][C@@:53]1([CH2:45]2)[C@@:38]3([CH3:18])[CH2:32][CH2:19][CH2:42][C@@:33]([CH3:22])([CH3:34])[C@:46]3([H])[CH2:28][C@@H:78]4O[C:171]([CH3:21])=O', '34 37 H 13.75 -10.21 H 11.30 -13.73 C:13004 22.24 -9.33 C:7002 17.39 -13.39 C:18 11.02 -14.49 C:19 9.05 -14.39 C:17 14.96 -7.77 C:20 11.28 -9.91 O 16.18 -11.30 O 19.83 -10.69 O 17.41 -10.65 C:2 8.85 -11.32 C:3 8.85 -12.72 C:1 10.05 -10.62 C:15 12.43 -7.99 C:16 11.54 -9.41 C:13002 18.62 -8.57 C:14 14.98 -10.62 C:6 12.52 -13.43 C:11 12.52 -9.21 O 21.04 -8.61 O 14.97 -13.41 O 16.20 -8.53 C:7001 16.18 -12.70 C:13003 19.82 -9.29 C:13001 17.40 -9.25 C:13 14.98 -9.21 C:7 13.75 -12.72 C:4 10.05 -13.43 C:12 13.75 -8.48 C:8 13.75 -11.32 C:5 11.28 -12.72 C:10 11.28 -11.32 C:9 12.52 -10.62 31 1 -1 32 2 -2 3 21 1 4 24 1 29 5 -2 29 6 -1 30 7 -1 33 8 -1 9 24 2 10 25 2 11 26 2 12 13 1 12 14 1 13 29 1 14 33 1 15 16 1 30 15 -2 34 16 -2 17 25 1 17 26 1 18 27 1 18 31 1 19 28 1 19 32 1 20 30 1 20 34 1 21 25 1 22 24 1 28 22 -1 23 26 1 27 23 -2 27 30 1 28 31 1 29 32 1 31 34 1 32 33 1 33 34 1', '34 37 H 13.75 -10.21 H 11.30 -13.73 C 22.24 -9.33 C 17.39 -13.39 C 11.02 -14.49 C 9.05 -14.39 C 14.96 -7.77 C 11.28 -9.91 O 16.18 -11.30 O 19.83 -10.69 O 17.41 -10.65 C 8.85 -11.32 C 8.85 -12.72 C 10.05 -10.62 C 12.43 -7.99 C 11.54 -9.41 C 18.62 -8.57 C 14.98 -10.62 C 12.52 -13.43 C 12.52 -9.21 O 21.04 -8.61 O 14.97 -13.41 O 16.20 -8.53 C 16.18 -12.70 C 19.82 -9.29 C 17.40 -9.25 C 14.98 -9.21 C 13.75 -12.72 C 10.05 -13.43 C 13.75 -8.48 C 13.75 -11.32 C 11.28 -12.72 C 11.28 -11.32 C 12.52 -10.62 31 1 -1 32 2 -2 3 21 1 4 24 1 29 5 -2 29 6 -1 30 7 -1 33 8 -1 9 24 2 10 25 2 11 26 2 12 13 1 12 14 1 13 29 1 14 33 1 15 16 1 30 15 -2 34 16 -2 17 25 1 17 26 1 18 27 1 18 31 1 19 28 1 19 32 1 20 30 1 20 34 1 21 25 1 22 24 1 28 22 -1 23 26 1 27 23 -2 27 30 1 28 31 1 29 32 1 31 34 1 32 33 1 33 34 1', '34 37 H 13.75 -10.21 H 11.30 -13.73 C:53 22.24 -9.33 C:21 17.39 -13.39 C:34 11.02 -14.49 C:22 9.05 -14.39 C:23 14.96 -7.77 C:18 11.28 -9.91 O 16.18 -11.30 O 19.83 -10.69 O 17.41 -10.65 C:19 8.85 -11.32 C:42 8.85 -12.72 C:32 10.05 -10.62 C:32 12.43 -7.99 C:26 11.54 -9.41 C:42 18.62 -8.57 C:30 14.98 -10.62 C:28 12.52 -13.43 C:45 12.52 -9.21 O 21.04 -8.61 O 14.97 -13.41 O 16.20 -8.53 C:171 16.18 -12.70 C:167 19.82 -9.29 C:167 17.40 -9.25 C:78 14.98 -9.21 C:78 13.75 -12.72 C:33 10.05 -13.43 C:43 13.75 -8.48 C:42 13.75 -11.32 C:46 11.28 -12.72 C:38 11.28 -11.32 C:53 12.52 -10.62 31 1 -1 32 2 -2 3 21 1 4 24 1 29 5 -2 29 6 -1 30 7 -1 33 8 -1 9 24 2 10 25 2 11 26 2 12 13 1 12 14 1 13 29 1 14 33 1 15 16 1 30 15 -2 34 16 -2 17 25 1 17 26 1 18 27 1 18 31 1 19 28 1 19 32 1 20 30 1 20 34 1 21 25 1 22 24 1 28 22 -1 23 26 1 27 23 -2 27 30 1 28 31 1 29 32 1 31 34 1 32 33 1 33 34 1', 'C26H40O6', 448.29, 'C+C', 'ph_40_1751_1a', 324, '', '', '1', 1, NULL, NULL),
(1447, '', '13-Isovaleroyl-7-acetoxy-thyrsiflorane', 'Terpenoids', 'Diterpenoids', 'Thyrsifloranes', '[H][C@:8]14[CH2:14][C@@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13004])[CH3:13005])[C@@:12]2([CH3:17])[CH2:15][CH2:16][C@@:9]1([CH2:11]2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]3([H])[CH2:6][C@@H:7]4O[C:7001]([CH3:7002])=O', '[H][C@]14C[C@@H](OC(=O)CC(C)C)[C@@]2(C)CC[C@@]1(C2)[C@@]3(C)CCC[C@](C)(C)[C@]3([H])C[C@@H]4OC(C)=O', '[H][C@:42]14[CH2:32][C@@H:78](O[C:173](=O)[CH2:44][CH:25]([CH3:23])[CH3:20])[C@@:46]2([CH3:23])[CH2:31][CH2:26][C@@:53]1([CH2:45]2)[C@@:39]3([CH3:18])[CH2:32][CH2:19][CH2:42][C@:33]([CH3:34])([CH3:23])[C@:46]3([H])[CH2:28][C@@H:76]4O[C:171]([CH3:21])=O', '33 36 H 14.35 -10.23 H 11.91 -13.75 C:7002 18.00 -13.41 C:13005 20.43 -10.67 C:13004 21.65 -8.58 C:19 9.66 -14.41 C:18 11.63 -14.51 C:17 15.56 -7.77 C:20 11.89 -9.93 O 16.80 -11.32 O 18.03 -10.65 C:2 9.46 -11.34 C:3 9.46 -12.74 C:1 10.66 -10.64 C:15 13.04 -8.00 C:16 12.15 -9.43 C:13002 19.23 -8.56 C:14 15.58 -10.64 C:6 13.13 -13.45 C:11 13.13 -9.23 O 15.57 -13.43 O 16.80 -8.54 C:7001 16.78 -12.72 C:13001 18.01 -9.25 C:13003 20.43 -9.27 C:13 15.58 -9.23 C:7 14.35 -12.74 C:4 10.66 -13.45 C:12 14.35 -8.49 C:8 14.35 -11.34 C:5 11.89 -12.74 C:10 11.89 -11.34 C:9 13.13 -10.64 30 1 -1 31 2 -2 3 23 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 32 9 -1 10 23 2 11 24 2 12 13 1 12 14 1 13 28 1 14 32 1 15 16 1 29 15 -2 33 16 -2 17 24 1 17 25 1 18 26 1 18 30 1 19 27 1 19 31 1 20 29 1 20 33 1 21 23 1 27 21 -1 22 24 1 26 22 -2 26 29 1 27 30 1 28 31 1 30 33 1 31 32 1 32 33 1', '33 36 H 14.35 -10.23 H 11.91 -13.75 C 18.00 -13.41 C 20.43 -10.67 C 21.65 -8.58 C 9.66 -14.41 C 11.63 -14.51 C 15.56 -7.77 C 11.89 -9.93 O 16.80 -11.32 O 18.03 -10.65 C 9.46 -11.34 C 9.46 -12.74 C 10.66 -10.64 C 13.04 -8.00 C 12.15 -9.43 C 19.23 -8.56 C 15.58 -10.64 C 13.13 -13.45 C 13.13 -9.23 O 15.57 -13.43 O 16.80 -8.54 C 16.78 -12.72 C 18.01 -9.25 C 20.43 -9.27 C 15.58 -9.23 C 14.35 -12.74 C 10.66 -13.45 C 14.35 -8.49 C 14.35 -11.34 C 11.89 -12.74 C 11.89 -11.34 C 13.13 -10.64 30 1 -1 31 2 -2 3 23 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 32 9 -1 10 23 2 11 24 2 12 13 1 12 14 1 13 28 1 14 32 1 15 16 1 29 15 -2 33 16 -2 17 24 1 17 25 1 18 26 1 18 30 1 19 27 1 19 31 1 20 29 1 20 33 1 21 23 1 27 21 -1 22 24 1 26 22 -2 26 29 1 27 30 1 28 31 1 30 33 1 31 32 1 32 33 1', '33 36 H 14.35 -10.23 H 11.91 -13.75 C:21 18.00 -13.41 C:20 20.43 -10.67 C:23 21.65 -8.58 C:23 9.66 -14.41 C:34 11.63 -14.51 C:23 15.56 -7.77 C:18 11.89 -9.93 O 16.80 -11.32 O 18.03 -10.65 C:19 9.46 -11.34 C:42 9.46 -12.74 C:32 10.66 -10.64 C:31 13.04 -8.00 C:26 12.15 -9.43 C:44 19.23 -8.56 C:32 15.58 -10.64 C:28 13.13 -13.45 C:45 13.13 -9.23 O 15.57 -13.43 O 16.80 -8.54 C:171 16.78 -12.72 C:173 18.01 -9.25 C:25 20.43 -9.27 C:78 15.58 -9.23 C:76 14.35 -12.74 C:33 10.66 -13.45 C:46 14.35 -8.49 C:42 14.35 -11.34 C:46 11.89 -12.74 C:39 11.89 -11.34 C:53 13.13 -10.64 30 1 -1 31 2 -2 3 23 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 32 9 -1 10 23 2 11 24 2 12 13 1 12 14 1 13 28 1 14 32 1 15 16 1 29 15 -2 33 16 -2 17 24 1 17 25 1 18 26 1 18 30 1 19 27 1 19 31 1 20 29 1 20 33 1 21 23 1 27 21 -1 22 24 1 26 22 -2 26 29 1 27 30 1 28 31 1 30 33 1 31 32 1 32 33 1', 'C27H44O4', 432.302, 'C', 'ph_40_1751_2', 324, '', '', '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
(1448, '', '13-Isovaleroyl-7-hydroxy-thyrsiflorane', 'Terpenoids', 'Diterpenoids', 'Thyrsifloranes', '[H][C@:8]14[CH2:14][C@@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13005])[CH3:13004])[C@@:12]2([CH3:17])[CH2:15][CH2:16][C@@:9]1([CH2:11]2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]3([H])[CH2:6][C@@H:7]4O', '[H][C@]14C[C@@H](OC(=O)CC(C)C)[C@@]2(C)CC[C@@]1(C2)[C@@]3(C)CCC[C@](C)(C)[C@]3([H])C[C@@H]4O', '[H][C@:45]14[CH2:32][C@@H:78](O[C:173](=O)[CH2:44][CH:25]([CH3:20])[CH3:23])[C@@:43]2([CH3:23])[CH2:32][CH2:26][C@@:53]1([CH2:45]2)[C@@:39]3([CH3:18])[CH2:32][CH2:19][CH2:42][C@:33]([CH3:34])([CH3:22])[C@:46]3([H])[CH2:31][C@@H:74]4O', '30 33 H 14.35 -10.23 H 11.91 -13.75 C:13004 21.65 -8.58 C:13005 20.41 -10.67 C:19 9.66 -14.41 C:18 11.63 -14.51 C:17 15.56 -7.77 C:20 11.89 -9.93 O 18.03 -10.65 O 15.57 -13.43 C:2 9.46 -11.34 C:3 9.46 -12.74 C:1 10.66 -10.64 C:15 13.04 -8.00 C:16 12.15 -9.43 C:13002 19.23 -8.56 C:14 15.58 -10.64 C:6 13.13 -13.45 C:11 13.13 -9.23 O 16.80 -8.54 C:13001 18.01 -9.25 C:13003 20.43 -9.27 C:7 14.35 -12.74 C:13 15.58 -9.23 C:4 10.66 -13.45 C:12 14.35 -8.49 C:8 14.35 -11.34 C:5 11.89 -12.74 C:10 11.89 -11.34 C:9 13.13 -10.64 27 1 -1 28 2 -2 3 22 1 4 22 1 25 5 -1 25 6 -2 26 7 -1 29 8 -1 9 21 2 23 10 -1 11 12 1 11 13 1 12 25 1 13 29 1 14 15 1 26 14 -2 30 15 -2 16 21 1 16 22 1 17 24 1 17 27 1 18 23 1 18 28 1 19 26 1 19 30 1 20 21 1 24 20 -2 23 27 1 24 26 1 25 28 1 27 30 1 28 29 1 29 30 1', '30 33 H 14.35 -10.23 H 11.91 -13.75 C 21.65 -8.58 C 20.41 -10.67 C 9.66 -14.41 C 11.63 -14.51 C 15.56 -7.77 C 11.89 -9.93 O 18.03 -10.65 O 15.57 -13.43 C 9.46 -11.34 C 9.46 -12.74 C 10.66 -10.64 C 13.04 -8.00 C 12.15 -9.43 C 19.23 -8.56 C 15.58 -10.64 C 13.13 -13.45 C 13.13 -9.23 O 16.80 -8.54 C 18.01 -9.25 C 20.43 -9.27 C 14.35 -12.74 C 15.58 -9.23 C 10.66 -13.45 C 14.35 -8.49 C 14.35 -11.34 C 11.89 -12.74 C 11.89 -11.34 C 13.13 -10.64 27 1 -1 28 2 -2 3 22 1 4 22 1 25 5 -1 25 6 -2 26 7 -1 29 8 -1 9 21 2 23 10 -1 11 12 1 11 13 1 12 25 1 13 29 1 14 15 1 26 14 -2 30 15 -2 16 21 1 16 22 1 17 24 1 17 27 1 18 23 1 18 28 1 19 26 1 19 30 1 20 21 1 24 20 -2 23 27 1 24 26 1 25 28 1 27 30 1 28 29 1 29 30 1', '30 33 H 14.35 -10.23 H 11.91 -13.75 C:23 21.65 -8.58 C:20 20.41 -10.67 C:22 9.66 -14.41 C:34 11.63 -14.51 C:23 15.56 -7.77 C:18 11.89 -9.93 O 18.03 -10.65 O 15.57 -13.43 C:19 9.46 -11.34 C:42 9.46 -12.74 C:32 10.66 -10.64 C:32 13.04 -8.00 C:26 12.15 -9.43 C:44 19.23 -8.56 C:32 15.58 -10.64 C:31 13.13 -13.45 C:45 13.13 -9.23 O 16.80 -8.54 C:173 18.01 -9.25 C:25 20.43 -9.27 C:74 14.35 -12.74 C:78 15.58 -9.23 C:33 10.66 -13.45 C:43 14.35 -8.49 C:45 14.35 -11.34 C:46 11.89 -12.74 C:39 11.89 -11.34 C:53 13.13 -10.64 27 1 -1 28 2 -2 3 22 1 4 22 1 25 5 -1 25 6 -2 26 7 -1 29 8 -1 9 21 2 23 10 -1 11 12 1 11 13 1 12 25 1 13 29 1 14 15 1 26 14 -2 30 15 -2 16 21 1 16 22 1 17 24 1 17 27 1 18 23 1 18 28 1 19 26 1 19 30 1 20 21 1 24 20 -2 23 27 1 24 26 1 25 28 1 27 30 1 28 29 1 29 30 1', 'C25H42O3', 390.282, 'C', 'ph_40_1751_2a', 324, '', '', '1', 1, NULL, NULL),
(1449, '', '13-Isovaleroyl-7-malonyloxy-thyrsiflorane', 'Terpenoids', 'Diterpenoids', 'Thyrsifloranes', '[H][C@:8]14[CH2:14][C@@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13004])[CH3:13005])[C@@:12]2([CH3:17])[CH2:15][CH2:16][C@@:9]1([CH2:11]2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]([CH3:19])([CH3:18])[C@:5]3([H])[CH2:6][C@@H:7]4O[C:7001](=O)[CH2:7002][C:7003](=O)O[CH3:7004]', '[H][C@]14C[C@@H](OC(=O)CC(C)C)[C@@]2(C)CC[C@@]1(C2)[C@@]3(C)CCC[C@@](C)(C)[C@]3([H])C[C@@H]4OC(=O)CC(=O)OC', '[H][C@:42]14[CH2:31][C@@H:78](O[C:173](=O)[CH2:44][CH:25]([CH3:23])[CH3:20])[C@@:43]2([CH3:23])[CH2:32][CH2:26][C@@:54]1([CH2:45]2)[C@@:39]3([CH3:18])[CH2:32][CH2:19][CH2:42][C@@:33]([CH3:22])([CH3:34])[C@:46]3([H])[CH2:28][C@@H:77]4O[C:167](=O)[CH2:42][C:167](=O)O[CH3:53]', '37 40 H 14.34 -10.25 H 11.89 -13.80 C:7004 21.68 -12.72 C:13004 21.70 -8.59 C:13005 20.47 -10.69 C:19 9.62 -14.46 C:18 11.61 -14.56 C:17 15.56 -7.78 C:20 11.87 -9.95 O 19.21 -11.43 O 16.79 -11.55 O 18.02 -10.57 C:2 9.42 -11.37 C:3 9.42 -12.78 C:1 10.63 -10.66 C:15 13.03 -8.01 C:16 12.13 -9.45 C:7002 18.02 -13.46 C:13002 19.26 -8.57 C:14 15.58 -10.66 C:6 13.12 -13.50 C:11 13.12 -9.24 O 20.46 -13.44 O 15.57 -13.48 O 16.82 -8.55 C:7003 19.23 -12.74 C:7001 16.80 -12.76 C:13001 18.03 -9.26 C:13003 20.47 -9.28 C:13 15.58 -9.24 C:7 14.34 -12.78 C:4 10.63 -13.50 C:12 14.34 -8.50 C:8 14.34 -11.37 C:5 11.87 -12.78 C:10 11.87 -11.37 C:9 13.12 -10.66 34 1 -1 35 2 -2 3 23 1 4 29 1 5 29 1 32 6 -1 32 7 -2 33 8 -1 36 9 -1 10 26 2 11 27 2 12 28 2 13 14 1 13 15 1 14 32 1 15 36 1 16 17 1 33 16 -2 37 17 -2 18 26 1 18 27 1 19 28 1 19 29 1 20 30 1 20 34 1 21 31 1 21 35 1 22 33 1 22 37 1 23 26 1 24 27 1 31 24 -1 25 28 1 30 25 -2 30 33 1 31 34 1 32 35 1 34 37 1 35 36 1 36 37 1', '37 40 H 14.34 -10.25 H 11.89 -13.80 C 21.68 -12.72 C 21.70 -8.59 C 20.47 -10.69 C 9.62 -14.46 C 11.61 -14.56 C 15.56 -7.78 C 11.87 -9.95 O 19.21 -11.43 O 16.79 -11.55 O 18.02 -10.57 C 9.42 -11.37 C 9.42 -12.78 C 10.63 -10.66 C 13.03 -8.01 C 12.13 -9.45 C 18.02 -13.46 C 19.26 -8.57 C 15.58 -10.66 C 13.12 -13.50 C 13.12 -9.24 O 20.46 -13.44 O 15.57 -13.48 O 16.82 -8.55 C 19.23 -12.74 C 16.80 -12.76 C 18.03 -9.26 C 20.47 -9.28 C 15.58 -9.24 C 14.34 -12.78 C 10.63 -13.50 C 14.34 -8.50 C 14.34 -11.37 C 11.87 -12.78 C 11.87 -11.37 C 13.12 -10.66 34 1 -1 35 2 -2 3 23 1 4 29 1 5 29 1 32 6 -1 32 7 -2 33 8 -1 36 9 -1 10 26 2 11 27 2 12 28 2 13 14 1 13 15 1 14 32 1 15 36 1 16 17 1 33 16 -2 37 17 -2 18 26 1 18 27 1 19 28 1 19 29 1 20 30 1 20 34 1 21 31 1 21 35 1 22 33 1 22 37 1 23 26 1 24 27 1 31 24 -1 25 28 1 30 25 -2 30 33 1 31 34 1 32 35 1 34 37 1 35 36 1 36 37 1', '37 40 H 14.34 -10.25 H 11.89 -13.80 C:53 21.68 -12.72 C:23 21.70 -8.59 C:20 20.47 -10.69 C:22 9.62 -14.46 C:34 11.61 -14.56 C:23 15.56 -7.78 C:18 11.87 -9.95 O 19.21 -11.43 O 16.79 -11.55 O 18.02 -10.57 C:19 9.42 -11.37 C:42 9.42 -12.78 C:32 10.63 -10.66 C:32 13.03 -8.01 C:26 12.13 -9.45 C:42 18.02 -13.46 C:44 19.26 -8.57 C:31 15.58 -10.66 C:28 13.12 -13.50 C:45 13.12 -9.24 O 20.46 -13.44 O 15.57 -13.48 O 16.82 -8.55 C:167 19.23 -12.74 C:167 16.80 -12.76 C:173 18.03 -9.26 C:25 20.47 -9.28 C:78 15.58 -9.24 C:77 14.34 -12.78 C:33 10.63 -13.50 C:43 14.34 -8.50 C:42 14.34 -11.37 C:46 11.87 -12.78 C:39 11.87 -11.37 C:54 13.12 -10.66 34 1 -1 35 2 -2 3 23 1 4 29 1 5 29 1 32 6 -1 32 7 -2 33 8 -1 36 9 -1 10 26 2 11 27 2 12 28 2 13 14 1 13 15 1 14 32 1 15 36 1 16 17 1 33 16 -2 37 17 -2 18 26 1 18 27 1 19 28 1 19 29 1 20 30 1 20 34 1 21 31 1 21 35 1 22 33 1 22 37 1 23 26 1 24 27 1 31 24 -1 25 28 1 30 25 -2 30 33 1 31 34 1 32 35 1 34 37 1 35 36 1 36 37 1', 'C29H46O6', 490.323, 'C', 'ph_40_1751_3a', 324, '', '', '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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(1465, '', 'ent-18-Hydroxy-trachyloban-3-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]3([CH3:19])[CH2:18]O)[C@:16]4([CH3:17])[CH2:15]5', '[H][C@]23CC[C@@]15C[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC(=O)[C@]3(C)CO)[C@]4(C)C5', '[H][C@:52]23[CH2:21][CH2:38][C@@:40]15[CH2:34][C@@H:24]4[C@H:20]([CH2:20][C@@:49]1([H])[C@:38]2([CH3:14])[CH2:38][CH2:35][C:219](=O)[C@:53]3([CH3:17])[CH2:67]O)[C@:23]4([CH3:21])[CH2:50]5', '24 28 H 14.84 -12.83 H 16.13 -10.76 C:19 12.52 -13.53 C:17 20.01 -7.36 C:20 14.83 -8.85 O 11.06 -12.43 O 14.15 -14.96 C:18 14.57 -13.62 C:2 12.30 -10.33 C:1 13.56 -9.60 C:6 16.13 -12.53 C:7 17.40 -11.77 C:11 16.13 -8.10 C:14 16.91 -9.17 C:15 18.68 -9.60 C:3 12.30 -11.77 C:12 17.40 -7.36 C:13 17.74 -8.70 C:5 14.83 -11.77 C:9 16.13 -9.60 C:4 13.56 -12.53 C:16 18.68 -8.10 C:10 14.83 -10.33 C:8 17.40 -10.33 19 1 -1 20 2 -1 21 3 -2 22 4 -1 23 5 -2 6 16 2 7 8 1 21 8 -1 9 10 1 9 16 1 10 23 1 11 12 1 11 19 1 12 24 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 22 1 15 24 1 16 21 1 17 18 -2 17 22 1 18 22 -2 19 21 1 19 23 1 20 23 1 20 24 1', '24 28 H 14.84 -12.83 H 16.13 -10.76 C 12.52 -13.53 C 20.01 -7.36 C 14.83 -8.85 O 11.06 -12.43 O 14.15 -14.96 C 14.57 -13.62 C 12.30 -10.33 C 13.56 -9.60 C 16.13 -12.53 C 17.40 -11.77 C 16.13 -8.10 C 16.91 -9.17 C 18.68 -9.60 C 12.30 -11.77 C 17.40 -7.36 C 17.74 -8.70 C 14.83 -11.77 C 16.13 -9.60 C 13.56 -12.53 C 18.68 -8.10 C 14.83 -10.33 C 17.40 -10.33 19 1 -1 20 2 -1 21 3 -2 22 4 -1 23 5 -2 6 16 2 7 8 1 21 8 -1 9 10 1 9 16 1 10 23 1 11 12 1 11 19 1 12 24 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 22 1 15 24 1 16 21 1 17 18 -2 17 22 1 18 22 -2 19 21 1 19 23 1 20 23 1 20 24 1', '24 28 H 14.84 -12.83 H 16.13 -10.76 C:17 12.52 -13.53 C:21 20.01 -7.36 C:14 14.83 -8.85 O 11.06 -12.43 O 14.15 -14.96 C:67 14.57 -13.62 C:35 12.30 -10.33 C:38 13.56 -9.60 C:21 16.13 -12.53 C:38 17.40 -11.77 C:20 16.13 -8.10 C:34 16.91 -9.17 C:50 18.68 -9.60 C:219 12.30 -11.77 C:20 17.40 -7.36 C:24 17.74 -8.70 C:52 14.83 -11.77 C:49 16.13 -9.60 C:53 13.56 -12.53 C:23 18.68 -8.10 C:38 14.83 -10.33 C:40 17.40 -10.33 19 1 -1 20 2 -1 21 3 -2 22 4 -1 23 5 -2 6 16 2 7 8 1 21 8 -1 9 10 1 9 16 1 10 23 1 11 12 1 11 19 1 12 24 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 22 1 15 24 1 16 21 1 17 18 -2 17 22 1 18 22 -2 19 21 1 19 23 1 20 23 1 20 24 1', 'C20H30O2', 302.229, 'C', 'ph65_1165_1', 221, '', '', '1', 1, NULL, NULL),
(1466, '', 'ent-Trachyloban-3-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]3([CH3:19])[CH3:18])[C@:16]4([CH3:17])[CH2:15]5', '[H][C@]23CC[C@@]15C[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC(=O)[C@]3(C)C)[C@]4(C)C5', '[H][C@:56]23[CH2:21][CH2:38][C@@:40]15[CH2:33][C@@H:24]4[C@H:21]([CH2:20][C@@:52]1([H])[C@:38]2([CH3:14])[CH2:38][CH2:34][C:218](=O)[C@:48]3([CH3:22])[CH3:26])[C@:23]4([CH3:20])[CH2:50]5', '23 27 H 14.89 -12.82 H 16.18 -10.75 C:18 14.62 -13.61 C:19 12.57 -13.52 C:17 20.05 -7.35 C:20 14.88 -8.84 O 11.11 -12.42 C:2 12.35 -10.32 C:1 13.61 -9.59 C:6 16.18 -12.52 C:7 17.44 -11.76 C:11 16.18 -8.09 C:14 16.95 -9.16 C:15 18.72 -9.59 C:3 12.35 -11.76 C:12 17.44 -7.35 C:13 17.78 -8.69 C:4 13.61 -12.52 C:16 18.72 -8.09 C:5 14.88 -11.76 C:9 16.18 -9.59 C:8 17.44 -10.32 C:10 14.88 -10.32 20 1 -1 21 2 -1 18 3 -1 18 4 -2 19 5 -1 23 6 -2 7 15 2 8 9 1 8 15 1 9 23 1 10 11 1 10 20 1 11 22 1 12 16 1 12 21 1 13 17 1 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 -2 16 19 1 17 19 -2 18 20 1 20 23 1 21 22 1 21 23 1', '23 27 H 14.89 -12.82 H 16.18 -10.75 C 14.62 -13.61 C 12.57 -13.52 C 20.05 -7.35 C 14.88 -8.84 O 11.11 -12.42 C 12.35 -10.32 C 13.61 -9.59 C 16.18 -12.52 C 17.44 -11.76 C 16.18 -8.09 C 16.95 -9.16 C 18.72 -9.59 C 12.35 -11.76 C 17.44 -7.35 C 17.78 -8.69 C 13.61 -12.52 C 18.72 -8.09 C 14.88 -11.76 C 16.18 -9.59 C 17.44 -10.32 C 14.88 -10.32 20 1 -1 21 2 -1 18 3 -1 18 4 -2 19 5 -1 23 6 -2 7 15 2 8 9 1 8 15 1 9 23 1 10 11 1 10 20 1 11 22 1 12 16 1 12 21 1 13 17 1 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 -2 16 19 1 17 19 -2 18 20 1 20 23 1 21 22 1 21 23 1', '23 27 H 14.89 -12.82 H 16.18 -10.75 C:26 14.62 -13.61 C:22 12.57 -13.52 C:20 20.05 -7.35 C:14 14.88 -8.84 O 11.11 -12.42 C:34 12.35 -10.32 C:38 13.61 -9.59 C:21 16.18 -12.52 C:38 17.44 -11.76 C:20 16.18 -8.09 C:33 16.95 -9.16 C:50 18.72 -9.59 C:218 12.35 -11.76 C:21 17.44 -7.35 C:24 17.78 -8.69 C:48 13.61 -12.52 C:23 18.72 -8.09 C:56 14.88 -11.76 C:52 16.18 -9.59 C:40 17.44 -10.32 C:38 14.88 -10.32 20 1 -1 21 2 -1 18 3 -1 18 4 -2 19 5 -1 23 6 -2 7 15 2 8 9 1 8 15 1 9 23 1 10 11 1 10 20 1 11 22 1 12 16 1 12 21 1 13 17 1 22 13 -2 14 19 1 14 22 1 15 18 1 16 17 -2 16 19 1 17 19 -2 18 20 1 20 23 1 21 22 1 21 23 1', 'C20H30O', 286.229, 'C+C', 'ph65_1165_3', 221, '', '', '1', 1, NULL, NULL),
(1467, '', 'Isopimara-7,15-dien-3b-ol', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C:8]1=[CH:7][CH2:6][C@@:5]3([H])[C@@:4]([CH3:18])([CH3:19])[C@@H:3](O)[CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)CC1=CC[C@@]3([H])[C@@](C)(C)[C@@H](O)CC[C@]23C', '[H][C@:52]12[CH2:20][CH2:36][C@:35]([CH3:21])([CH:150]=[CH2:109])[CH2:46][C:135]1=[CH:121][CH2:23][C@@:50]3([H])[C@@:38]([CH3:28])([CH3:16])[C@@H:79](O)[CH2:27][CH2:39][C@:37]23[CH3:15]', '23 25 H 14.97 -11.47 H 13.70 -13.63 C:16 19.93 -8.35 C:17 18.34 -7.82 C:19 11.37 -14.37 C:18 13.41 -14.46 C:20 13.70 -9.74 O 9.96 -13.37 C:15 18.90 -9.37 C:7 16.24 -12.67 C:2 11.17 -11.22 C:6 14.97 -13.40 C:12 16.24 -8.29 C:11 14.97 -9.01 C:1 12.42 -10.48 C:14 17.49 -10.48 C:8 16.24 -11.22 C:3 11.17 -12.67 C:13 17.49 -9.01 C:9 14.97 -10.48 C:4 12.42 -13.40 C:5 13.70 -12.67 C:10 13.70 -11.22 20 1 -2 22 2 -2 3 9 2 19 4 -1 21 5 -1 21 6 -2 23 7 -1 18 8 -1 19 9 -2 10 12 1 10 17 2 11 15 1 11 18 1 12 22 1 13 14 1 13 19 1 14 20 1 15 23 1 16 17 1 16 19 1 17 20 1 18 21 1 20 23 1 21 22 1 22 23 1', '23 25 H 14.97 -11.47 H 13.70 -13.63 C 19.93 -8.35 C 18.34 -7.82 C 11.37 -14.37 C 13.41 -14.46 C 13.70 -9.74 O 9.96 -13.37 C 18.90 -9.37 C 16.24 -12.67 C 11.17 -11.22 C 14.97 -13.40 C 16.24 -8.29 C 14.97 -9.01 C 12.42 -10.48 C 17.49 -10.48 C 16.24 -11.22 C 11.17 -12.67 C 17.49 -9.01 C 14.97 -10.48 C 12.42 -13.40 C 13.70 -12.67 C 13.70 -11.22 20 1 -2 22 2 -2 3 9 2 19 4 -1 21 5 -1 21 6 -2 23 7 -1 18 8 -1 19 9 -2 10 12 1 10 17 2 11 15 1 11 18 1 12 22 1 13 14 1 13 19 1 14 20 1 15 23 1 16 17 1 16 19 1 17 20 1 18 21 1 20 23 1 21 22 1 22 23 1', '23 25 H 14.97 -11.47 H 13.70 -13.63 C:109 19.93 -8.35 C:21 18.34 -7.82 C:16 11.37 -14.37 C:28 13.41 -14.46 C:15 13.70 -9.74 O 9.96 -13.37 C:150 18.90 -9.37 C:121 16.24 -12.67 C:27 11.17 -11.22 C:23 14.97 -13.40 C:36 16.24 -8.29 C:20 14.97 -9.01 C:39 12.42 -10.48 C:46 17.49 -10.48 C:135 16.24 -11.22 C:79 11.17 -12.67 C:35 17.49 -9.01 C:52 14.97 -10.48 C:38 12.42 -13.40 C:50 13.70 -12.67 C:37 13.70 -11.22 20 1 -2 22 2 -2 3 9 2 19 4 -1 21 5 -1 21 6 -2 23 7 -1 18 8 -1 19 9 -2 10 12 1 10 17 2 11 15 1 11 18 1 12 22 1 13 14 1 13 19 1 14 20 1 15 23 1 16 17 1 16 19 1 17 20 1 18 21 1 20 23 1 21 22 1 22 23 1', 'C20H32O', 288.229, 'C', 'ph65_1165_2', 221, '', '', '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
(1482, '', '3,15- Valparadien-2-one', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]23[CH2:9][CH2:10][C@:11]1([CH3:20])[CH2:1][C:2](=O)[C:3]([CH3:19])=[CH:4][CH2:5][C@@:6]1([H])[C@:7]2([CH3:18])[CH2:12][CH2:13][C@H:14]3[C:15](=[CH2:16])[CH3:17]', '[H][C@]23CC[C@]1(C)CC(=O)C(C)=CC[C@@]1([H])[C@]2(C)CC[C@H]3C(=C)C', '[H][C@:55]23[CH2:22][CH2:43][C@:37]1([CH3:22])[CH2:62][C:204](=O)[C:138]([CH3:20])=[CH:140][CH2:30][C@@:58]1([H])[C@:46]2([CH3:16])[CH2:41][CH2:27][C@H:46]3[C:148](=[CH2:110])[CH3:25]', '23 25 H 18.26 -11.04 H 14.81 -12.64 C:16 20.25 -10.85 C:17 20.77 -13.29 C:19 10.33 -10.84 C:20 14.81 -8.66 C:18 16.02 -10.83 O 11.48 -8.47 C:4 12.34 -12.10 C:13 17.81 -13.84 C:5 13.71 -12.41 C:12 16.38 -13.68 C:9 17.33 -10.11 C:10 16.08 -9.39 C:1 13.71 -9.26 C:15 19.81 -12.22 C:3 11.73 -10.84 C:2 12.34 -9.57 C:14 18.39 -12.52 C:8 17.33 -11.56 C:6 14.81 -11.56 C:11 14.81 -10.11 C:7 16.08 -12.27 20 1 -1 21 2 -1 3 16 2 4 16 1 5 17 1 22 6 -2 23 7 -2 8 18 2 9 11 1 9 17 2 10 12 1 10 19 1 11 21 1 12 23 1 13 14 1 13 20 1 14 22 1 15 18 1 15 22 1 19 16 -2 17 18 1 19 20 1 20 23 1 21 22 1 21 23 1', '23 25 H 18.26 -11.04 H 14.81 -12.64 C 20.25 -10.85 C 20.77 -13.29 C 10.33 -10.84 C 14.81 -8.66 C 16.02 -10.83 O 11.48 -8.47 C 12.34 -12.10 C 17.81 -13.84 C 13.71 -12.41 C 16.38 -13.68 C 17.33 -10.11 C 16.08 -9.39 C 13.71 -9.26 C 19.81 -12.22 C 11.73 -10.84 C 12.34 -9.57 C 18.39 -12.52 C 17.33 -11.56 C 14.81 -11.56 C 14.81 -10.11 C 16.08 -12.27 20 1 -1 21 2 -1 3 16 2 4 16 1 5 17 1 22 6 -2 23 7 -2 8 18 2 9 11 1 9 17 2 10 12 1 10 19 1 11 21 1 12 23 1 13 14 1 13 20 1 14 22 1 15 18 1 15 22 1 19 16 -2 17 18 1 19 20 1 20 23 1 21 22 1 21 23 1', '23 25 H 18.26 -11.04 H 14.81 -12.64 C:110 20.25 -10.85 C:25 20.77 -13.29 C:20 10.33 -10.84 C:22 14.81 -8.66 C:16 16.02 -10.83 O 11.48 -8.47 C:140 12.34 -12.10 C:27 17.81 -13.84 C:30 13.71 -12.41 C:41 16.38 -13.68 C:22 17.33 -10.11 C:43 16.08 -9.39 C:62 13.71 -9.26 C:148 19.81 -12.22 C:138 11.73 -10.84 C:204 12.34 -9.57 C:46 18.39 -12.52 C:55 17.33 -11.56 C:58 14.81 -11.56 C:37 14.81 -10.11 C:46 16.08 -12.27 20 1 -1 21 2 -1 3 16 2 4 16 1 5 17 1 22 6 -2 23 7 -2 8 18 2 9 11 1 9 17 2 10 12 1 10 19 1 11 21 1 12 23 1 13 14 1 13 20 1 14 22 1 15 18 1 15 22 1 19 16 -2 17 18 1 19 20 1 20 23 1 21 22 1 21 23 1', 'C20H30O', 286.229, 'C', 'ph34_747_3', 2333, '', '', '1', 1, NULL, NULL),
(1483, '', '2,3beta-Epoxy-15-valparene', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]34[CH2:9][CH2:10][C@:11]2([CH3:20])[CH2:1][C@@H:2]1O[C@:3]1([CH3:19])[CH2:4][CH2:5][C@@:6]2([H])[C@:7]3([CH3:18])[CH2:12][CH2:13][C@H:14]4[C:15](=[CH2:16])[CH3:17]', '[H][C@]34CC[C@]2(C)C[C@@H]1O[C@]1(C)CC[C@@]2([H])[C@]3(C)CC[C@H]4C(=C)C', '[H][C@:55]34[CH2:22][CH2:45][C@:38]2([CH3:20])[CH2:47][C@@H:61]1O[C@:61]1([CH3:23])[CH2:37][CH2:24][C@@:64]2([H])[C@:47]3([CH3:16])[CH2:42][CH2:27][C@H:47]4[C:148](=[CH2:110])[CH3:25]', '23 26 H 18.26 -10.92 H 14.80 -12.52 C:16 20.25 -10.73 C:17 20.77 -13.17 C:20 14.80 -8.54 C:19 10.33 -10.72 C:18 16.01 -10.71 C:13 17.80 -13.72 C:9 17.32 -9.99 C:10 16.07 -9.27 C:5 13.70 -12.29 C:12 16.37 -13.56 C:4 12.34 -11.98 C:1 13.70 -9.14 O 10.95 -9.56 C:15 19.81 -12.10 C:2 12.34 -9.45 C:14 18.39 -12.40 C:8 17.32 -11.44 C:11 14.80 -9.99 C:6 14.80 -11.44 C:3 11.73 -10.72 C:7 16.07 -12.15 19 1 -1 21 2 -1 3 16 2 4 16 1 20 5 -2 22 6 -2 23 7 -2 8 12 1 8 18 1 9 10 1 9 19 1 10 20 1 11 13 1 11 21 1 12 23 1 13 22 1 14 17 1 14 20 1 17 15 -1 22 15 -1 18 16 -2 17 22 1 18 19 1 19 23 1 20 21 1 21 23 1', '23 26 H 18.26 -10.92 H 14.80 -12.52 C 20.25 -10.73 C 20.77 -13.17 C 14.80 -8.54 C 10.33 -10.72 C 16.01 -10.71 C 17.80 -13.72 C 17.32 -9.99 C 16.07 -9.27 C 13.70 -12.29 C 16.37 -13.56 C 12.34 -11.98 C 13.70 -9.14 O 10.95 -9.56 C 19.81 -12.10 C 12.34 -9.45 C 18.39 -12.40 C 17.32 -11.44 C 14.80 -9.99 C 14.80 -11.44 C 11.73 -10.72 C 16.07 -12.15 19 1 -1 21 2 -1 3 16 2 4 16 1 20 5 -2 22 6 -2 23 7 -2 8 12 1 8 18 1 9 10 1 9 19 1 10 20 1 11 13 1 11 21 1 12 23 1 13 22 1 14 17 1 14 20 1 17 15 -1 22 15 -1 18 16 -2 17 22 1 18 19 1 19 23 1 20 21 1 21 23 1', '23 26 H 18.26 -10.92 H 14.80 -12.52 C:110 20.25 -10.73 C:25 20.77 -13.17 C:20 14.80 -8.54 C:23 10.33 -10.72 C:16 16.01 -10.71 C:27 17.80 -13.72 C:22 17.32 -9.99 C:45 16.07 -9.27 C:24 13.70 -12.29 C:42 16.37 -13.56 C:37 12.34 -11.98 C:47 13.70 -9.14 O 10.95 -9.56 C:148 19.81 -12.10 C:61 12.34 -9.45 C:47 18.39 -12.40 C:55 17.32 -11.44 C:38 14.80 -9.99 C:64 14.80 -11.44 C:61 11.73 -10.72 C:47 16.07 -12.15 19 1 -1 21 2 -1 3 16 2 4 16 1 20 5 -2 22 6 -2 23 7 -2 8 12 1 8 18 1 9 10 1 9 19 1 10 20 1 11 13 1 11 21 1 12 23 1 13 22 1 14 17 1 14 20 1 17 15 -1 22 15 -1 18 16 -2 17 22 1 18 19 1 19 23 1 20 21 1 21 23 1', 'C20H32O', 288.229, 'C', 'ph34_747_4', 2333, '', '', '1', 1, NULL, NULL),
(1484, '', '2(4),13-Valparoladien-3-one', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]23[CH2:9][CH2:10][C@:11]1([CH3:20])[CH2:1][CH:2]=[C:4]([C:3]([CH3:19])=O)[CH2:5][C@@:6]1([H])[C@:7]2([CH3:18])[CH2:12][CH:13]=[C:14]3[CH:15]([CH3:17])[CH3:16]', '[H][C@]23CC[C@]1(C)CC=C(C(C)=O)C[C@@]1([H])[C@]2(C)CC=C3C(C)C', '[H][C@:51]23[CH2:27][CH2:47][C@:32]1([CH3:21])[CH2:42][CH:139]=[C:139]([C:199]([CH3:25])=O)[CH2:23][C@@:48]1([H])[C@:48]2([CH3:20])[CH2:42][CH:118]=[C:149]3[CH:34]([CH3:22])[CH3:23]', '23 25 H 18.48 -10.95 H 15.06 -12.54 C:19 11.36 -13.57 C:16 20.45 -10.76 C:17 20.97 -13.18 C:20 15.06 -8.59 C:18 16.25 -10.74 O 10.11 -11.50 C:2 12.59 -10.03 C:13 18.03 -13.72 C:1 13.82 -9.31 C:12 16.60 -13.57 C:9 17.55 -10.03 C:10 16.30 -9.31 C:5 13.82 -12.17 C:3 11.34 -12.17 C:4 12.59 -11.46 C:14 18.61 -12.42 C:15 20.01 -12.12 C:8 17.55 -11.46 C:11 15.06 -10.03 C:6 15.06 -11.46 C:7 16.30 -12.17 20 1 -1 22 2 -1 3 16 1 4 19 1 5 19 1 21 6 -2 23 7 -2 8 16 2 9 11 1 9 17 2 10 12 1 10 18 2 11 21 1 12 23 1 13 14 1 13 20 1 14 21 1 15 17 1 15 22 1 16 17 1 18 19 1 18 20 1 20 23 1 21 22 1 22 23 1', '23 25 H 18.48 -10.95 H 15.06 -12.54 C 11.36 -13.57 C 20.45 -10.76 C 20.97 -13.18 C 15.06 -8.59 C 16.25 -10.74 O 10.11 -11.50 C 12.59 -10.03 C 18.03 -13.72 C 13.82 -9.31 C 16.60 -13.57 C 17.55 -10.03 C 16.30 -9.31 C 13.82 -12.17 C 11.34 -12.17 C 12.59 -11.46 C 18.61 -12.42 C 20.01 -12.12 C 17.55 -11.46 C 15.06 -10.03 C 15.06 -11.46 C 16.30 -12.17 20 1 -1 22 2 -1 3 16 1 4 19 1 5 19 1 21 6 -2 23 7 -2 8 16 2 9 11 1 9 17 2 10 12 1 10 18 2 11 21 1 12 23 1 13 14 1 13 20 1 14 21 1 15 17 1 15 22 1 16 17 1 18 19 1 18 20 1 20 23 1 21 22 1 22 23 1', '23 25 H 18.48 -10.95 H 15.06 -12.54 C:25 11.36 -13.57 C:23 20.45 -10.76 C:22 20.97 -13.18 C:21 15.06 -8.59 C:20 16.25 -10.74 O 10.11 -11.50 C:139 12.59 -10.03 C:118 18.03 -13.72 C:42 13.82 -9.31 C:42 16.60 -13.57 C:27 17.55 -10.03 C:47 16.30 -9.31 C:23 13.82 -12.17 C:199 11.34 -12.17 C:139 12.59 -11.46 C:149 18.61 -12.42 C:34 20.01 -12.12 C:51 17.55 -11.46 C:32 15.06 -10.03 C:48 15.06 -11.46 C:48 16.30 -12.17 20 1 -1 22 2 -1 3 16 1 4 19 1 5 19 1 21 6 -2 23 7 -2 8 16 2 9 11 1 9 17 2 10 12 1 10 18 2 11 21 1 12 23 1 13 14 1 13 20 1 14 21 1 15 17 1 15 22 1 16 17 1 18 19 1 18 20 1 20 23 1 21 22 1 22 23 1', 'C20H30O', 286.229, 'C', 'ph34_747_5', 2333, '', '', '1', 1, NULL, NULL),
(1485, '', '3beta-Methoxy-1,15-valparadiene', 'Terpenoids', 'Diterpenoids', 'Valparanes', '[H][C@:8]23[CH2:9][CH2:10][C@:11]1([CH3:20])[CH:1]=[CH:2][C@:3]([CH3:19])(O[CH3:3001])[CH2:4][CH2:5][C@@:6]1([H])[C@:7]2([CH3:18])[CH2:12][CH2:13][C@H:14]3[C:15](=[CH2:16])[CH3:17]', '[H][C@]23CC[C@]1(C)C=C[C@](C)(OC)CC[C@@]1([H])[C@]2(C)CC[C@H]3C(=C)C', '[H][C@:55]23[CH2:22][CH2:46][C@:40]1([CH3:22])[CH:131]=[CH:147][C@:75]([CH3:27])(O[CH3:50])[CH2:39][CH2:23][C@@:56]1([H])[C@:47]2([CH3:16])[CH2:42][CH2:27][C@H:46]3[C:148](=[CH2:110])[CH3:25]', '24 26 H 18.20 -10.92 H 14.75 -12.52 C:16 20.19 -10.73 C:3001 10.47 -12.83 C:17 20.71 -13.17 C:19 10.46 -10.03 C:20 14.75 -8.54 C:18 15.95 -10.71 C:2 12.29 -9.45 C:1 13.65 -9.14 C:13 17.74 -13.72 C:4 12.29 -11.98 C:10 16.01 -9.27 C:9 17.26 -9.99 C:5 13.65 -12.29 C:12 16.31 -13.56 O 10.47 -11.43 C:15 19.75 -12.10 C:14 18.33 -12.40 C:3 11.68 -10.72 C:11 14.75 -9.99 C:8 17.26 -11.44 C:6 14.75 -11.44 C:7 16.01 -12.15 22 1 -1 23 2 -1 3 18 2 4 17 1 5 18 1 20 6 -2 21 7 -2 24 8 -2 9 10 2 9 20 1 10 21 1 11 16 1 11 19 1 12 15 1 12 20 1 13 14 1 13 21 1 14 22 1 15 23 1 16 24 1 20 17 -1 19 18 -2 19 22 1 21 23 1 22 24 1 23 24 1', '24 26 H 18.20 -10.92 H 14.75 -12.52 C 20.19 -10.73 C 10.47 -12.83 C 20.71 -13.17 C 10.46 -10.03 C 14.75 -8.54 C 15.95 -10.71 C 12.29 -9.45 C 13.65 -9.14 C 17.74 -13.72 C 12.29 -11.98 C 16.01 -9.27 C 17.26 -9.99 C 13.65 -12.29 C 16.31 -13.56 O 10.47 -11.43 C 19.75 -12.10 C 18.33 -12.40 C 11.68 -10.72 C 14.75 -9.99 C 17.26 -11.44 C 14.75 -11.44 C 16.01 -12.15 22 1 -1 23 2 -1 3 18 2 4 17 1 5 18 1 20 6 -2 21 7 -2 24 8 -2 9 10 2 9 20 1 10 21 1 11 16 1 11 19 1 12 15 1 12 20 1 13 14 1 13 21 1 14 22 1 15 23 1 16 24 1 20 17 -1 19 18 -2 19 22 1 21 23 1 22 24 1 23 24 1', '24 26 H 18.20 -10.92 H 14.75 -12.52 C:110 20.19 -10.73 C:50 10.47 -12.83 C:25 20.71 -13.17 C:27 10.46 -10.03 C:22 14.75 -8.54 C:16 15.95 -10.71 C:147 12.29 -9.45 C:131 13.65 -9.14 C:27 17.74 -13.72 C:39 12.29 -11.98 C:46 16.01 -9.27 C:22 17.26 -9.99 C:23 13.65 -12.29 C:42 16.31 -13.56 O 10.47 -11.43 C:148 19.75 -12.10 C:46 18.33 -12.40 C:75 11.68 -10.72 C:40 14.75 -9.99 C:55 17.26 -11.44 C:56 14.75 -11.44 C:47 16.01 -12.15 22 1 -1 23 2 -1 3 18 2 4 17 1 5 18 1 20 6 -2 21 7 -2 24 8 -2 9 10 2 9 20 1 10 21 1 11 16 1 11 19 1 12 15 1 12 20 1 13 14 1 13 21 1 14 22 1 15 23 1 16 24 1 20 17 -1 19 18 -2 19 22 1 21 23 1 22 24 1 23 24 1', 'C21H34O', 302.24, 'C', 'ph34_747_6', 2333, '', '', '1', 1, NULL, NULL),
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