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
(14881, '(11S)-11,18-Dihydroxysclareol', '(8a,11S,13R)-Labd-14-ene-8,11,13,18-tetrol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@:9]([H])([C@@H:11](O)[CH2:12][C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH2:18]O', '[H][C@@]12CC[C@@](C)(O)[C@]([H])([C@@H](O)C[C@@](C)(O)C=C)[C@@]1(C)CCC[C@@]2(C)CO', '[H][C@@:52]12[CH2:20][CH2:44][C@@:75]([CH3:16])(O)[C@:65]([H])([C@@H:71](O)[CH2:49][C@@:74]([CH3:28])(O)[CH:145]=[CH2:111])[C@@:37]1([CH3:24])[CH2:39][CH2:19][CH2:35][C@@:39]2([CH3:17])[CH2:72]O', '26 27 H 16.00 -14.28 H 18.07 -10.45 C:15 20.96 -7.58 C:16 17.80 -6.36 C:17 19.21 -10.68 C:19 13.79 -15.10 C:20 16.00 -10.45 O 15.29 -16.45 O 16.00 -9.02 O 17.08 -7.58 O 19.90 -11.88 C:14 19.72 -6.86 C:18 15.72 -15.10 C:2 13.51 -11.88 C:7 18.49 -13.32 C:3 13.51 -13.32 C:6 17.25 -14.03 C:1 14.76 -11.16 C:12 18.49 -9.02 C:11 17.25 -9.72 C:13 18.49 -7.58 C:8 18.49 -11.88 C:5 16.00 -13.32 C:9 17.25 -11.16 C:4 14.76 -14.03 C:10 16.00 -11.88 23 1 -2 24 2 -2 3 12 2 21 4 -2 22 5 -1 25 6 -1 26 7 -1 8 13 1 20 9 -1 21 10 -1 22 11 -2 12 21 1 25 13 -2 14 16 1 14 18 1 15 17 1 15 22 1 16 25 1 17 23 1 18 26 1 19 20 1 19 21 1 20 24 1 22 24 1 23 25 1 23 26 1 24 26 1', '26 27 H 16.00 -14.28 H 18.07 -10.45 C 20.96 -7.58 C 17.80 -6.36 C 19.21 -10.68 C 13.79 -15.10 C 16.00 -10.45 O 15.29 -16.45 O 16.00 -9.02 O 17.08 -7.58 O 19.90 -11.88 C 19.72 -6.86 C 15.72 -15.10 C 13.51 -11.88 C 18.49 -13.32 C 13.51 -13.32 C 17.25 -14.03 C 14.76 -11.16 C 18.49 -9.02 C 17.25 -9.72 C 18.49 -7.58 C 18.49 -11.88 C 16.00 -13.32 C 17.25 -11.16 C 14.76 -14.03 C 16.00 -11.88 23 1 -2 24 2 -2 3 12 2 21 4 -2 22 5 -1 25 6 -1 26 7 -1 8 13 1 20 9 -1 21 10 -1 22 11 -2 12 21 1 25 13 -2 14 16 1 14 18 1 15 17 1 15 22 1 16 25 1 17 23 1 18 26 1 19 20 1 19 21 1 20 24 1 22 24 1 23 25 1 23 26 1 24 26 1', '26 27 H 16.00 -14.28 H 18.07 -10.45 C:111 20.96 -7.58 C:28 17.80 -6.36 C:16 19.21 -10.68 C:17 13.79 -15.10 C:24 16.00 -10.45 O 15.29 -16.45 O 16.00 -9.02 O 17.08 -7.58 O 19.90 -11.88 C:145 19.72 -6.86 C:72 15.72 -15.10 C:19 13.51 -11.88 C:44 18.49 -13.32 C:35 13.51 -13.32 C:20 17.25 -14.03 C:39 14.76 -11.16 C:49 18.49 -9.02 C:71 17.25 -9.72 C:74 18.49 -7.58 C:75 18.49 -11.88 C:52 16.00 -13.32 C:65 17.25 -11.16 C:39 14.76 -14.03 C:37 16.00 -11.88 23 1 -2 24 2 -2 3 12 2 21 4 -2 22 5 -1 25 6 -1 26 7 -1 8 13 1 20 9 -1 21 10 -1 22 11 -2 12 21 1 25 13 -2 14 16 1 14 18 1 15 17 1 15 22 1 16 25 1 17 23 1 18 26 1 19 20 1 19 21 1 20 24 1 22 24 1 23 25 1 23 26 1 24 26 1', 'C20H36O4', 340.227, 'C', 'cb06_54_5', 3846, '', '', '1', 1, NULL, NULL),
(14882, '(1β)-1-Hydroxysclareol', '(1β,8a,13R)-Labd-14-ene-1,8,13-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[C@H:1](O)[CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)[C@H](O)CC[C@@]2(C)C', '[H][C@@:56]12[CH2:21][CH2:44][C@@:75]([CH3:16])(O)[C@H:55]([CH2:20][CH2:45][C@@:74]([CH3:28])(O)[CH:146]=[CH2:111])[C@@:44]1([CH3:24])[C@H:65](O)[CH2:28][CH2:35][C@@:33]2([CH3:22])[CH3:34]', '24 25 H 16.05 -14.96 C:15 20.96 -8.30 C:16 17.84 -7.09 C:19 13.85 -15.77 C:18 15.77 -15.77 C:17 19.24 -11.39 C:20 16.05 -11.16 O 14.81 -10.47 O 17.13 -8.30 O 19.92 -12.58 C:14 19.75 -7.59 C:2 13.57 -12.58 C:11 17.29 -10.47 C:12 18.53 -9.73 C:3 13.57 -14.01 C:7 18.53 -14.01 C:6 17.29 -14.71 C:1 14.81 -11.87 C:9 17.29 -11.87 C:13 18.53 -8.30 C:4 14.81 -14.71 C:8 18.53 -12.58 C:5 16.05 -14.01 C:10 16.05 -12.58 23 1 -2 2 11 2 20 3 -2 21 4 -1 21 5 -2 22 6 -1 24 7 -1 18 8 -1 20 9 -1 22 10 -2 11 20 1 12 15 1 12 18 1 13 14 1 19 13 -1 14 20 1 15 21 1 16 17 1 16 22 1 17 23 1 18 24 1 19 22 1 19 24 1 21 23 1 23 24 1', '24 25 H 16.05 -14.96 C 20.96 -8.30 C 17.84 -7.09 C 13.85 -15.77 C 15.77 -15.77 C 19.24 -11.39 C 16.05 -11.16 O 14.81 -10.47 O 17.13 -8.30 O 19.92 -12.58 C 19.75 -7.59 C 13.57 -12.58 C 17.29 -10.47 C 18.53 -9.73 C 13.57 -14.01 C 18.53 -14.01 C 17.29 -14.71 C 14.81 -11.87 C 17.29 -11.87 C 18.53 -8.30 C 14.81 -14.71 C 18.53 -12.58 C 16.05 -14.01 C 16.05 -12.58 23 1 -2 2 11 2 20 3 -2 21 4 -1 21 5 -2 22 6 -1 24 7 -1 18 8 -1 20 9 -1 22 10 -2 11 20 1 12 15 1 12 18 1 13 14 1 19 13 -1 14 20 1 15 21 1 16 17 1 16 22 1 17 23 1 18 24 1 19 22 1 19 24 1 21 23 1 23 24 1', '24 25 H 16.05 -14.96 C:111 20.96 -8.30 C:28 17.84 -7.09 C:22 13.85 -15.77 C:34 15.77 -15.77 C:16 19.24 -11.39 C:24 16.05 -11.16 O 14.81 -10.47 O 17.13 -8.30 O 19.92 -12.58 C:146 19.75 -7.59 C:28 13.57 -12.58 C:20 17.29 -10.47 C:45 18.53 -9.73 C:35 13.57 -14.01 C:44 18.53 -14.01 C:21 17.29 -14.71 C:65 14.81 -11.87 C:55 17.29 -11.87 C:74 18.53 -8.30 C:33 14.81 -14.71 C:75 18.53 -12.58 C:56 16.05 -14.01 C:44 16.05 -12.58 23 1 -2 2 11 2 20 3 -2 21 4 -1 21 5 -2 22 6 -1 24 7 -1 18 8 -1 20 9 -1 22 10 -2 11 20 1 12 15 1 12 18 1 13 14 1 19 13 -1 14 20 1 15 21 1 16 17 1 16 22 1 17 23 1 18 24 1 19 22 1 19 24 1 21 23 1 23 24 1', 'C20H36O3', 324.22, 'C', 'cb06_54_6', 3846, '', '', '1', 1, NULL, NULL),
(14883, '(12S)-12-Hydroxysclareol', '(8α,12S,13R)-Labd-14-ene-8,12,13-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][C@H:12](O)[C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC[C@@](C)(O)[C@H](C[C@H](O)[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:21][CH2:44][C@@:75]([CH3:16])(O)[C@H:52]([CH2:24][C@H:77](O)[C@@:81]([CH3:16])(O)[CH:143]=[CH2:113])[C@@:39]1([CH3:24])[CH2:40][CH2:19][CH2:42][C@:33]2([CH3:34])[CH3:22]', '24 25 H 16.05 -14.97 C:15 20.97 -8.30 C:18 15.77 -15.77 C:19 13.85 -15.77 C:16 17.84 -7.09 C:17 19.24 -11.39 C:20 16.05 -11.16 O 19.75 -10.41 O 17.13 -8.30 O 19.93 -12.58 C:14 19.75 -7.59 C:2 13.57 -12.58 C:3 13.57 -14.01 C:7 18.53 -14.01 C:6 17.29 -14.72 C:1 14.81 -11.87 C:11 17.29 -10.47 C:12 18.53 -9.73 C:9 17.29 -11.87 C:4 14.81 -14.72 C:13 18.53 -8.30 C:8 18.53 -12.58 C:5 16.05 -14.01 C:10 16.05 -12.58 23 1 -2 2 11 2 20 3 -2 20 4 -1 21 5 -2 22 6 -1 24 7 -1 18 8 -1 21 9 -1 22 10 -2 11 21 1 12 13 1 12 16 1 13 20 1 14 15 1 14 22 1 15 23 1 16 24 1 17 18 1 19 17 -1 18 21 1 19 22 1 19 24 1 20 23 1 23 24 1', '24 25 H 16.05 -14.97 C 20.97 -8.30 C 15.77 -15.77 C 13.85 -15.77 C 17.84 -7.09 C 19.24 -11.39 C 16.05 -11.16 O 19.75 -10.41 O 17.13 -8.30 O 19.93 -12.58 C 19.75 -7.59 C 13.57 -12.58 C 13.57 -14.01 C 18.53 -14.01 C 17.29 -14.72 C 14.81 -11.87 C 17.29 -10.47 C 18.53 -9.73 C 17.29 -11.87 C 14.81 -14.72 C 18.53 -8.30 C 18.53 -12.58 C 16.05 -14.01 C 16.05 -12.58 23 1 -2 2 11 2 20 3 -2 20 4 -1 21 5 -2 22 6 -1 24 7 -1 18 8 -1 21 9 -1 22 10 -2 11 21 1 12 13 1 12 16 1 13 20 1 14 15 1 14 22 1 15 23 1 16 24 1 17 18 1 19 17 -1 18 21 1 19 22 1 19 24 1 20 23 1 23 24 1', '24 25 H 16.05 -14.97 C:113 20.97 -8.30 C:34 15.77 -15.77 C:22 13.85 -15.77 C:16 17.84 -7.09 C:16 19.24 -11.39 C:24 16.05 -11.16 O 19.75 -10.41 O 17.13 -8.30 O 19.93 -12.58 C:143 19.75 -7.59 C:19 13.57 -12.58 C:42 13.57 -14.01 C:44 18.53 -14.01 C:21 17.29 -14.72 C:40 14.81 -11.87 C:24 17.29 -10.47 C:77 18.53 -9.73 C:52 17.29 -11.87 C:33 14.81 -14.72 C:81 18.53 -8.30 C:75 18.53 -12.58 C:56 16.05 -14.01 C:39 16.05 -12.58 23 1 -2 2 11 2 20 3 -2 20 4 -1 21 5 -2 22 6 -1 24 7 -1 18 8 -1 21 9 -1 22 10 -2 11 21 1 12 13 1 12 16 1 13 20 1 14 15 1 14 22 1 15 23 1 16 24 1 17 18 1 19 17 -1 18 21 1 19 22 1 19 24 1 20 23 1 23 24 1', 'C20H36O3', 324.22, 'C', 'cb06_54_7', 3846, '', '', '1', 1, NULL, NULL),
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(14897, '12S-Hydroxyandrographolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][C@@H:12](O)[CH:13]1[C:16](=O)O[CH2:15][C@H:14]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23CCC(=C)[C@@H](C[C@@H](O)C1C(=O)OC[C@H]1O)[C@]2(C)CC[C@@H](O)[C@@]3(C)CO', '[H][C@:57]23[CH2:25][CH2:39][C:149](=[CH2:108])[C@@H:54]([CH2:30][C@@H:71](O)[CH:54]1[C:178](=O)O[CH2:77][C@H:74]1O)[C@:40]2([CH3:16])[CH2:38][CH2:29][C@@H:81](O)[C@@:44]3([CH3:23])[CH2:65]O', '27 29 H 16.67 -14.76 C:17 20.34 -11.72 C:18 16.39 -15.56 C:20 16.67 -10.98 O 16.67 -7.74 O 14.83 -16.90 O 21.60 -7.74 O 20.34 -10.22 O 12.93 -14.44 C:7 19.10 -13.75 C:2 14.16 -12.39 C:19 14.44 -15.56 C:6 17.89 -14.52 C:1 15.41 -11.72 C:15 19.83 -5.92 C:11 17.89 -10.30 O 18.41 -5.92 C:8 19.10 -12.39 C:16 17.99 -7.28 C:14 20.28 -7.28 C:12 19.10 -9.55 C:3 14.16 -13.75 C:9 17.89 -11.72 C:13 19.10 -8.14 C:5 16.67 -13.75 C:4 15.41 -14.52 C:10 16.67 -12.39 25 1 -1 2 18 2 26 3 -1 27 4 -2 5 19 2 6 12 1 20 7 -1 21 8 -2 22 9 -2 10 13 1 10 18 1 11 14 1 11 22 1 26 12 -2 13 25 1 14 27 1 15 17 1 15 20 1 16 21 1 23 16 -2 17 19 1 18 23 1 19 24 1 20 24 1 21 24 1 22 26 1 23 27 1 25 26 1 25 27 1', '27 29 H 16.67 -14.76 C 20.34 -11.72 C 16.39 -15.56 C 16.67 -10.98 O 16.67 -7.74 O 14.83 -16.90 O 21.60 -7.74 O 20.34 -10.22 O 12.93 -14.44 C 19.10 -13.75 C 14.16 -12.39 C 14.44 -15.56 C 17.89 -14.52 C 15.41 -11.72 C 19.83 -5.92 C 17.89 -10.30 O 18.41 -5.92 C 19.10 -12.39 C 17.99 -7.28 C 20.28 -7.28 C 19.10 -9.55 C 14.16 -13.75 C 17.89 -11.72 C 19.10 -8.14 C 16.67 -13.75 C 15.41 -14.52 C 16.67 -12.39 25 1 -1 2 18 2 26 3 -1 27 4 -2 5 19 2 6 12 1 20 7 -1 21 8 -2 22 9 -2 10 13 1 10 18 1 11 14 1 11 22 1 26 12 -2 13 25 1 14 27 1 15 17 1 15 20 1 16 21 1 23 16 -2 17 19 1 18 23 1 19 24 1 20 24 1 21 24 1 22 26 1 23 27 1 25 26 1 25 27 1', '27 29 H 16.67 -14.76 C:108 20.34 -11.72 C:23 16.39 -15.56 C:16 16.67 -10.98 O 16.67 -7.74 O 14.83 -16.90 O 21.60 -7.74 O 20.34 -10.22 O 12.93 -14.44 C:39 19.10 -13.75 C:29 14.16 -12.39 C:65 14.44 -15.56 C:25 17.89 -14.52 C:38 15.41 -11.72 C:77 19.83 -5.92 C:30 17.89 -10.30 O 18.41 -5.92 C:149 19.10 -12.39 C:178 17.99 -7.28 C:74 20.28 -7.28 C:71 19.10 -9.55 C:81 14.16 -13.75 C:54 17.89 -11.72 C:54 19.10 -8.14 C:57 16.67 -13.75 C:44 15.41 -14.52 C:40 16.67 -12.39 25 1 -1 2 18 2 26 3 -1 27 4 -2 5 19 2 6 12 1 20 7 -1 21 8 -2 22 9 -2 10 13 1 10 18 1 11 14 1 11 22 1 26 12 -2 13 25 1 14 27 1 15 17 1 15 20 1 16 21 1 23 16 -2 17 19 1 18 23 1 19 24 1 20 24 1 21 24 1 22 26 1 23 27 1 25 26 1 25 27 1', 'C20H32O6', 368.218, 'M', 'np06_319_5', 3780, '', '', '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
(14898, 'Andrographatoside', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C:13](=[CH:14][CH2:15]O)[CH2:16]O)[C@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:18])[C:19](=O)O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O', '[H][C@]12CCC(=C)[C@@H](CCC(=CCO)CO)[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O', '[H][C@:57]12[CH2:27][CH2:39][C:149](=[CH2:107])[C@@H:56]([CH2:23][CH2:35][C:143](=[CH:128][CH2:59]O)[CH2:60]O)[C@:41]1([CH3:14])[CH2:39][CH2:21][CH2:39][C@@:45]2([CH3:29])[C:177](=O)O[C@@H:96]3O[C@H:79]([CH2:62]O)[C@@H:71](O)[C@H:79](O)[C@H:74]3O', '36 38 H 18.81 -12.70 C:17 22.50 -9.61 C:18 18.53 -13.50 C:20 18.81 -8.90 O 15.25 -13.20 O 21.28 -3.24 O 20.04 -3.95 O 12.01 -14.95 O 15.97 -19.57 O 13.26 -18.97 O 17.87 -17.51 C:14 22.50 -5.35 C:15 22.50 -3.95 C:16 20.04 -5.35 C:2 16.34 -10.33 C:106 12.42 -16.28 C:12 21.28 -7.48 C:7 21.28 -11.76 C:11 20.04 -8.18 C:3 16.34 -11.76 C:1 17.58 -9.61 C:6 20.04 -12.46 O 17.04 -14.84 O 14.72 -15.56 C:8 21.28 -10.33 C:13 21.28 -6.06 C:19 16.62 -13.50 C:103 15.55 -18.24 C:104 14.19 -17.94 C:102 16.50 -17.21 C:105 13.77 -16.59 C:101 16.09 -15.87 C:9 20.04 -9.61 C:5 18.81 -11.76 C:4 17.58 -12.46 C:10 18.81 -10.33 34 1 -1 2 25 2 35 3 -1 36 4 -2 5 27 2 6 13 1 7 14 1 8 16 1 28 9 -1 29 10 -2 30 11 -2 12 13 1 12 26 2 14 26 1 15 20 1 15 21 1 31 16 -1 17 19 1 17 26 1 18 22 1 18 25 1 33 19 -2 20 35 1 21 36 1 22 34 1 23 27 1 32 23 -1 24 31 1 24 32 1 25 33 1 35 27 -2 28 29 1 28 30 1 29 31 1 30 32 1 33 36 1 34 35 1 34 36 1', '36 38 H 18.81 -12.70 C 22.50 -9.61 C 18.53 -13.50 C 18.81 -8.90 O 15.25 -13.20 O 21.28 -3.24 O 20.04 -3.95 O 12.01 -14.95 O 15.97 -19.57 O 13.26 -18.97 O 17.87 -17.51 C 22.50 -5.35 C 22.50 -3.95 C 20.04 -5.35 C 16.34 -10.33 C 12.42 -16.28 C 21.28 -7.48 C 21.28 -11.76 C 20.04 -8.18 C 16.34 -11.76 C 17.58 -9.61 C 20.04 -12.46 O 17.04 -14.84 O 14.72 -15.56 C 21.28 -10.33 C 21.28 -6.06 C 16.62 -13.50 C 15.55 -18.24 C 14.19 -17.94 C 16.50 -17.21 C 13.77 -16.59 C 16.09 -15.87 C 20.04 -9.61 C 18.81 -11.76 C 17.58 -12.46 C 18.81 -10.33 34 1 -1 2 25 2 35 3 -1 36 4 -2 5 27 2 6 13 1 7 14 1 8 16 1 28 9 -1 29 10 -2 30 11 -2 12 13 1 12 26 2 14 26 1 15 20 1 15 21 1 31 16 -1 17 19 1 17 26 1 18 22 1 18 25 1 33 19 -2 20 35 1 21 36 1 22 34 1 23 27 1 32 23 -1 24 31 1 24 32 1 25 33 1 35 27 -2 28 29 1 28 30 1 29 31 1 30 32 1 33 36 1 34 35 1 34 36 1', '36 38 H 18.81 -12.70 C:107 22.50 -9.61 C:29 18.53 -13.50 C:14 18.81 -8.90 O 15.25 -13.20 O 21.28 -3.24 O 20.04 -3.95 O 12.01 -14.95 O 15.97 -19.57 O 13.26 -18.97 O 17.87 -17.51 C:128 22.50 -5.35 C:59 22.50 -3.95 C:60 20.04 -5.35 C:21 16.34 -10.33 C:62 12.42 -16.28 C:35 21.28 -7.48 C:39 21.28 -11.76 C:23 20.04 -8.18 C:39 16.34 -11.76 C:39 17.58 -9.61 C:27 20.04 -12.46 O 17.04 -14.84 O 14.72 -15.56 C:149 21.28 -10.33 C:143 21.28 -6.06 C:177 16.62 -13.50 C:79 15.55 -18.24 C:71 14.19 -17.94 C:74 16.50 -17.21 C:79 13.77 -16.59 C:96 16.09 -15.87 C:56 20.04 -9.61 C:57 18.81 -11.76 C:45 17.58 -12.46 C:41 18.81 -10.33 34 1 -1 2 25 2 35 3 -1 36 4 -2 5 27 2 6 13 1 7 14 1 8 16 1 28 9 -1 29 10 -2 30 11 -2 12 13 1 12 26 2 14 26 1 15 20 1 15 21 1 31 16 -1 17 19 1 17 26 1 18 22 1 18 25 1 33 19 -2 20 35 1 21 36 1 22 34 1 23 27 1 32 23 -1 24 31 1 24 32 1 25 33 1 35 27 -2 28 29 1 28 30 1 29 31 1 30 32 1 33 36 1 34 35 1 34 36 1', 'C26H42O9', 498.281, 'P', 'np06_319_6', 3780, '', '', '1', 1, NULL, NULL),
(14899, '8,17-Epoxy-14-deoxyandrographolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@:8]1([CH2:17]O1)[C@@H:9]([CH2:11][CH2:12][C:13]2=[CH:14][CH2:15]O[C:16]2=O)[C@:10]3([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]4([CH3:18])[CH2:19]O', '[H][C@]34CC[C@]1(CO1)[C@@H](CCC2=CCOC2=O)[C@]3(C)CC[C@@H](O)[C@@]4(C)CO', '[H][C@:56]34[CH2:23][CH2:38][C@:60]1([CH2:51]O1)[C@@H:55]([CH2:21][CH2:28][C:135]2=[CH:148][CH2:72]O[C:177]2=O)[C@:41]3([CH3:16])[CH2:38][CH2:28][C@@H:81](O)[C@@:44]4([CH3:23])[CH2:65]O', '26 29 H 17.16 -14.76 C:18 16.88 -15.56 C:20 17.16 -10.96 O 17.16 -7.73 O 15.32 -16.90 O 13.43 -14.44 C:14 20.77 -7.29 C:15 20.32 -5.93 C:19 14.93 -15.56 C:12 19.61 -9.54 C:11 18.39 -10.29 C:2 14.66 -12.38 C:1 15.90 -11.70 C:6 18.39 -14.52 C:7 19.61 -13.75 C:17 20.32 -11.18 O 18.92 -5.93 O 21.02 -12.38 C:16 18.49 -7.29 C:13 19.61 -8.14 C:3 14.66 -13.75 C:9 18.39 -11.70 C:5 17.16 -13.75 C:4 15.90 -14.52 C:10 17.16 -12.38 C:8 19.61 -12.38 23 1 -1 24 2 -1 25 3 -2 4 19 2 5 9 1 21 6 -2 7 8 1 7 20 2 8 17 1 24 9 -2 10 11 1 10 20 1 22 11 -2 12 13 1 12 21 1 13 25 1 14 15 1 14 23 1 15 26 1 16 18 1 26 16 -1 17 19 1 26 18 -2 19 20 1 21 24 1 22 25 1 22 26 1 23 24 1 23 25 1', '26 29 H 17.16 -14.76 C 16.88 -15.56 C 17.16 -10.96 O 17.16 -7.73 O 15.32 -16.90 O 13.43 -14.44 C 20.77 -7.29 C 20.32 -5.93 C 14.93 -15.56 C 19.61 -9.54 C 18.39 -10.29 C 14.66 -12.38 C 15.90 -11.70 C 18.39 -14.52 C 19.61 -13.75 C 20.32 -11.18 O 18.92 -5.93 O 21.02 -12.38 C 18.49 -7.29 C 19.61 -8.14 C 14.66 -13.75 C 18.39 -11.70 C 17.16 -13.75 C 15.90 -14.52 C 17.16 -12.38 C 19.61 -12.38 23 1 -1 24 2 -1 25 3 -2 4 19 2 5 9 1 21 6 -2 7 8 1 7 20 2 8 17 1 24 9 -2 10 11 1 10 20 1 22 11 -2 12 13 1 12 21 1 13 25 1 14 15 1 14 23 1 15 26 1 16 18 1 26 16 -1 17 19 1 26 18 -2 19 20 1 21 24 1 22 25 1 22 26 1 23 24 1 23 25 1', '26 29 H 17.16 -14.76 C:23 16.88 -15.56 C:16 17.16 -10.96 O 17.16 -7.73 O 15.32 -16.90 O 13.43 -14.44 C:148 20.77 -7.29 C:72 20.32 -5.93 C:65 14.93 -15.56 C:28 19.61 -9.54 C:21 18.39 -10.29 C:28 14.66 -12.38 C:38 15.90 -11.70 C:23 18.39 -14.52 C:38 19.61 -13.75 C:51 20.32 -11.18 O 18.92 -5.93 O 21.02 -12.38 C:177 18.49 -7.29 C:135 19.61 -8.14 C:81 14.66 -13.75 C:55 18.39 -11.70 C:56 17.16 -13.75 C:44 15.90 -14.52 C:41 17.16 -12.38 C:60 19.61 -12.38 23 1 -1 24 2 -1 25 3 -2 4 19 2 5 9 1 21 6 -2 7 8 1 7 20 2 8 17 1 24 9 -2 10 11 1 10 20 1 22 11 -2 12 13 1 12 21 1 13 25 1 14 15 1 14 23 1 15 26 1 16 18 1 26 16 -1 17 19 1 26 18 -2 19 20 1 21 24 1 22 25 1 22 26 1 23 24 1 23 25 1', 'C20H30O5', 350.219, 'M', 'np06_319_7', 3780, '', '', '1', 1, NULL, NULL),
(14900, 'Andropanolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH:12]=[C:13]1[C:16](=O)O[CH2:15][C@H:14]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O', '[H][C@@]23CCC(=C)[C@@H](CC=C1C(=O)OC[C@H]1O)[C@]2(C)CC[C@@H](O)[C@@]3(C)CO', '[H][C@@:58]23[CH2:25][CH2:40][C:150](=[CH2:110])[C@@H:57]([CH2:26][CH:150]=[C:132]1[C:172](=O)O[CH2:76][C@H:71]1O)[C@:41]2([CH3:17])[CH2:39][CH2:31][C@@H:82](O)[C@@:45]3([CH3:25])[CH2:66]O', '26 28 H 16.63 -14.78 C:17 20.32 -11.68 C:18 16.35 -15.58 C:20 16.63 -10.97 O 16.63 -7.71 O 14.85 -16.92 O 21.58 -7.71 O 12.94 -14.51 C:12 19.09 -9.55 C:19 14.44 -15.58 C:11 17.86 -10.26 C:7 19.09 -13.82 C:2 14.16 -12.40 C:6 17.86 -14.51 C:1 15.40 -11.68 C:15 19.79 -5.96 O 18.39 -5.96 C:8 19.09 -12.40 C:16 17.96 -7.29 C:13 19.09 -8.12 C:14 20.24 -7.29 C:3 14.16 -13.82 C:9 17.86 -11.68 C:5 16.63 -13.82 C:4 15.40 -14.51 C:10 16.63 -12.40 24 1 -2 2 18 2 25 3 -1 26 4 -2 5 19 2 6 10 1 21 7 -1 22 8 -2 9 11 1 9 20 2 25 10 -2 23 11 -2 12 14 1 12 18 1 13 15 1 13 22 1 14 24 1 15 26 1 16 17 1 16 21 1 17 19 1 18 23 1 19 20 1 20 21 1 22 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 16.63 -14.78 C 20.32 -11.68 C 16.35 -15.58 C 16.63 -10.97 O 16.63 -7.71 O 14.85 -16.92 O 21.58 -7.71 O 12.94 -14.51 C 19.09 -9.55 C 14.44 -15.58 C 17.86 -10.26 C 19.09 -13.82 C 14.16 -12.40 C 17.86 -14.51 C 15.40 -11.68 C 19.79 -5.96 O 18.39 -5.96 C 19.09 -12.40 C 17.96 -7.29 C 19.09 -8.12 C 20.24 -7.29 C 14.16 -13.82 C 17.86 -11.68 C 16.63 -13.82 C 15.40 -14.51 C 16.63 -12.40 24 1 -2 2 18 2 25 3 -1 26 4 -2 5 19 2 6 10 1 21 7 -1 22 8 -2 9 11 1 9 20 2 25 10 -2 23 11 -2 12 14 1 12 18 1 13 15 1 13 22 1 14 24 1 15 26 1 16 17 1 16 21 1 17 19 1 18 23 1 19 20 1 20 21 1 22 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 16.63 -14.78 C:110 20.32 -11.68 C:25 16.35 -15.58 C:17 16.63 -10.97 O 16.63 -7.71 O 14.85 -16.92 O 21.58 -7.71 O 12.94 -14.51 C:150 19.09 -9.55 C:66 14.44 -15.58 C:26 17.86 -10.26 C:40 19.09 -13.82 C:31 14.16 -12.40 C:25 17.86 -14.51 C:39 15.40 -11.68 C:76 19.79 -5.96 O 18.39 -5.96 C:150 19.09 -12.40 C:172 17.96 -7.29 C:132 19.09 -8.12 C:71 20.24 -7.29 C:82 14.16 -13.82 C:57 17.86 -11.68 C:58 16.63 -13.82 C:45 15.40 -14.51 C:41 16.63 -12.40 24 1 -2 2 18 2 25 3 -1 26 4 -2 5 19 2 6 10 1 21 7 -1 22 8 -2 9 11 1 9 20 2 25 10 -2 23 11 -2 12 14 1 12 18 1 13 15 1 13 22 1 14 24 1 15 26 1 16 17 1 16 21 1 17 19 1 18 23 1 19 20 1 20 21 1 22 25 1 23 26 1 24 25 1 24 26 1', 'C20H30O5', 350.219, 'P', 'np06_403_1', 3781, '', '', '1', 1, NULL, NULL),
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(14913, '', '(E)-14-Hydroxy-15-norlabda-8(17),12-dien-16-al', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH:16]=O)[CH2:14]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=C)[C@H](CC=C(C=O)CO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:55]12[CH2:24][CH2:38][C:148](=[CH2:108])[C@H:57]([CH2:24][CH:159]=[C:141]([CH:196]=O)[CH2:56]O)[C@@:40]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '22 23 H 16.62 -15.42 C:17 20.31 -12.32 C:18 16.34 -16.22 C:19 14.44 -16.22 C:20 16.62 -11.61 O 20.31 -6.67 O 17.85 -6.67 C:16 20.31 -8.06 C:12 19.09 -10.19 C:14 17.85 -8.06 C:2 14.16 -13.05 C:11 17.85 -10.89 C:7 19.09 -14.47 C:3 14.16 -14.47 C:1 15.39 -12.32 C:6 17.85 -15.18 C:8 19.09 -13.05 C:13 19.09 -8.77 C:9 17.85 -12.32 C:4 15.39 -15.18 C:5 16.62 -14.47 C:10 16.62 -13.05 21 1 -2 2 17 2 20 3 -2 20 4 -1 22 5 -1 6 8 2 7 10 1 8 18 1 9 12 1 9 18 2 10 18 1 11 14 1 11 15 1 19 12 -1 13 16 1 13 17 1 14 20 1 15 22 1 16 21 1 17 19 1 19 22 1 20 21 1 21 22 1', '22 23 H 16.62 -15.42 C 20.31 -12.32 C 16.34 -16.22 C 14.44 -16.22 C 16.62 -11.61 O 20.31 -6.67 O 17.85 -6.67 C 20.31 -8.06 C 19.09 -10.19 C 17.85 -8.06 C 14.16 -13.05 C 17.85 -10.89 C 19.09 -14.47 C 14.16 -14.47 C 15.39 -12.32 C 17.85 -15.18 C 19.09 -13.05 C 19.09 -8.77 C 17.85 -12.32 C 15.39 -15.18 C 16.62 -14.47 C 16.62 -13.05 21 1 -2 2 17 2 20 3 -2 20 4 -1 22 5 -1 6 8 2 7 10 1 8 18 1 9 12 1 9 18 2 10 18 1 11 14 1 11 15 1 19 12 -1 13 16 1 13 17 1 14 20 1 15 22 1 16 21 1 17 19 1 19 22 1 20 21 1 21 22 1', '22 23 H 16.62 -15.42 C:108 20.31 -12.32 C:34 16.34 -16.22 C:22 14.44 -16.22 C:14 16.62 -11.61 O 20.31 -6.67 O 17.85 -6.67 C:196 20.31 -8.06 C:159 19.09 -10.19 C:56 17.85 -8.06 C:19 14.16 -13.05 C:24 17.85 -10.89 C:38 19.09 -14.47 C:42 14.16 -14.47 C:39 15.39 -12.32 C:24 17.85 -15.18 C:148 19.09 -13.05 C:141 19.09 -8.77 C:57 17.85 -12.32 C:34 15.39 -15.18 C:55 16.62 -14.47 C:40 16.62 -13.05 21 1 -2 2 17 2 20 3 -2 20 4 -1 22 5 -1 6 8 2 7 10 1 8 18 1 9 12 1 9 18 2 10 18 1 11 14 1 11 15 1 19 12 -1 13 16 1 13 17 1 14 20 1 15 22 1 16 21 1 17 19 1 19 22 1 20 21 1 21 22 1', 'C19H30O2', 290.21, 'C', 'np06_1637_2', 3784, '', '', '1', 1, NULL, NULL),
(14914, '', '(E)-14,-15,16-Trinorlabda-8(17),11-dien-13-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH:11]=[CH:12][C:13](=O)O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=C)[C@H](C=CC(=O)O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:54]12[CH2:23][CH2:36][C:148](=[CH2:109])[C@H:61]([CH:151]=[CH:123][C:170](=O)O)[C@@:39]1([CH3:15])[CH2:41][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '20 21 H 16.63 -14.73 C:17 20.32 -11.63 C:18 16.35 -15.53 C:19 14.43 -15.53 C:20 16.63 -10.92 O 17.91 -7.34 O 20.32 -7.43 C:12 19.09 -9.50 C:11 17.86 -10.21 C:2 14.15 -12.35 C:7 19.09 -13.76 C:3 14.15 -13.76 C:1 15.40 -11.63 C:6 17.86 -14.48 C:13 19.09 -8.08 C:8 19.09 -12.35 C:9 17.86 -11.63 C:4 15.40 -14.48 C:5 16.63 -13.76 C:10 16.63 -12.35 19 1 -2 2 16 2 18 3 -2 18 4 -1 20 5 -1 6 15 2 7 15 1 8 9 2 8 15 1 17 9 -1 10 12 1 10 13 1 11 14 1 11 16 1 12 18 1 13 20 1 14 19 1 16 17 1 17 20 1 18 19 1 19 20 1', '20 21 H 16.63 -14.73 C 20.32 -11.63 C 16.35 -15.53 C 14.43 -15.53 C 16.63 -10.92 O 17.91 -7.34 O 20.32 -7.43 C 19.09 -9.50 C 17.86 -10.21 C 14.15 -12.35 C 19.09 -13.76 C 14.15 -13.76 C 15.40 -11.63 C 17.86 -14.48 C 19.09 -8.08 C 19.09 -12.35 C 17.86 -11.63 C 15.40 -14.48 C 16.63 -13.76 C 16.63 -12.35 19 1 -2 2 16 2 18 3 -2 18 4 -1 20 5 -1 6 15 2 7 15 1 8 9 2 8 15 1 17 9 -1 10 12 1 10 13 1 11 14 1 11 16 1 12 18 1 13 20 1 14 19 1 16 17 1 17 20 1 18 19 1 19 20 1', '20 21 H 16.63 -14.73 C:109 20.32 -11.63 C:34 16.35 -15.53 C:22 14.43 -15.53 C:15 16.63 -10.92 O 17.91 -7.34 O 20.32 -7.43 C:123 19.09 -9.50 C:151 17.86 -10.21 C:19 14.15 -12.35 C:36 19.09 -13.76 C:42 14.15 -13.76 C:41 15.40 -11.63 C:23 17.86 -14.48 C:170 19.09 -8.08 C:148 19.09 -12.35 C:61 17.86 -11.63 C:34 15.40 -14.48 C:54 16.63 -13.76 C:39 16.63 -12.35 19 1 -2 2 16 2 18 3 -2 18 4 -1 20 5 -1 6 15 2 7 15 1 8 9 2 8 15 1 17 9 -1 10 12 1 10 13 1 11 14 1 11 16 1 12 18 1 13 20 1 14 19 1 16 17 1 17 20 1 18 19 1 19 20 1', 'C17H26O2', 262.189, 'C', 'np06_1637_4', 3784, '', '', '1', 1, NULL, NULL),
(14915, '', 'Rel-(3R,5S)-3,5-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane', 'Aromatics', 'Phenyl-alkanoids', 'Diphenylheptanoids', '[CH3:3001]O[c:3]2[cH:2][c:1]([CH2:7][CH2:8][C@@H:9](O)[CH2:10][C@@H:11](O)[CH2:12][CH2:13][c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)[cH:6][cH:5][c:4]2O', 'COc2cc(CC[C@@H](O)C[C@@H](O)CCc1ccc(O)c(O)c1)ccc2O', '[CH3:56]O[c:146]2[cH:116][c:135]([CH2:32][CH2:41][C@@H:72](O)[CH2:44][C@@H:71](O)[CH2:41][CH2:32][c:135]1[cH:121][cH:116][c:145](O)[c:148](O)[cH:113]1)[cH:120][cH:116][c:144]2O', '26 27 C:3001 8.88 -13.71 O 24.64 -11.61 O 7.66 -11.61 O 24.64 -8.81 O 17.37 -7.41 O 14.95 -7.41 C:106 21.01 -10.91 C:6 10.09 -8.81 C:105 22.22 -11.61 C:5 8.88 -9.51 C:102 22.22 -8.81 C:2 11.30 -10.91 C:13 19.79 -8.81 C:7 12.53 -8.81 C:12 18.58 -9.51 C:8 13.74 -9.51 C:10 16.16 -9.51 O 10.09 -13.01 C:101 21.01 -9.51 C:1 11.30 -9.51 C:104 23.43 -10.91 C:4 8.88 -10.91 C:103 23.43 -9.51 C:3 10.09 -11.61 C:11 17.37 -8.81 C:9 14.95 -8.81 1 18 1 2 21 1 3 22 1 4 23 1 25 5 -1 26 6 -1 7 9 2 7 19 1 8 10 1 8 20 2 9 21 1 10 22 2 11 19 2 11 23 1 12 20 1 12 24 2 13 15 1 13 19 1 14 16 1 14 20 1 15 25 1 16 26 1 17 25 1 17 26 1 18 24 1 21 23 2 22 24 1', '26 27 C 8.88 -13.71 O 24.64 -11.61 O 7.66 -11.61 O 24.64 -8.81 O 17.37 -7.41 O 14.95 -7.41 C 21.01 -10.91 C 10.09 -8.81 C 22.22 -11.61 C 8.88 -9.51 C 22.22 -8.81 C 11.30 -10.91 C 19.79 -8.81 C 12.53 -8.81 C 18.58 -9.51 C 13.74 -9.51 C 16.16 -9.51 O 10.09 -13.01 C 21.01 -9.51 C 11.30 -9.51 C 23.43 -10.91 C 8.88 -10.91 C 23.43 -9.51 C 10.09 -11.61 C 17.37 -8.81 C 14.95 -8.81 1 18 1 2 21 1 3 22 1 4 23 1 25 5 -1 26 6 -1 7 9 2 7 19 1 8 10 1 8 20 2 9 21 1 10 22 2 11 19 2 11 23 1 12 20 1 12 24 2 13 15 1 13 19 1 14 16 1 14 20 1 15 25 1 16 26 1 17 25 1 17 26 1 18 24 1 21 23 2 22 24 1', '26 27 C:56 8.88 -13.71 O 24.64 -11.61 O 7.66 -11.61 O 24.64 -8.81 O 17.37 -7.41 O 14.95 -7.41 C:121 21.01 -10.91 C:120 10.09 -8.81 C:116 22.22 -11.61 C:116 8.88 -9.51 C:113 22.22 -8.81 C:116 11.30 -10.91 C:32 19.79 -8.81 C:32 12.53 -8.81 C:41 18.58 -9.51 C:41 13.74 -9.51 C:44 16.16 -9.51 O 10.09 -13.01 C:135 21.01 -9.51 C:135 11.30 -9.51 C:145 23.43 -10.91 C:144 8.88 -10.91 C:148 23.43 -9.51 C:146 10.09 -11.61 C:71 17.37 -8.81 C:72 14.95 -8.81 1 18 1 2 21 1 3 22 1 4 23 1 25 5 -1 26 6 -1 7 9 2 7 19 1 8 10 1 8 20 2 9 21 1 10 22 2 11 19 2 11 23 1 12 20 1 12 24 2 13 15 1 13 19 1 14 16 1 14 20 1 15 25 1 16 26 1 17 25 1 17 26 1 18 24 1 21 23 2 22 24 1', 'C20H26O6', 362.21, 'C', 'np06_1637_5', 3784, '', '', '1', 1, NULL, NULL),
(14916, 'Zambesiacolactone B', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@H:6](O)[CH2:7][C@@:8]1([CH2:17]O1)[C@H:9]([CH2:11][CH:12]=[C:13]2[C:16](=O)O[CH2:15][CH:14]2O)[C@@:10]3([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34[C@H](O)C[C@@]1(CO1)[C@H](CC=C2C(=O)OCC2O)[C@@]3(C)CC[C@H](O)[C@]4(C)C', '[H][C@@:56]34[C@H:68](O)[CH2:44][C@@:57]1([CH2:47]O1)[C@H:53]([CH2:22][CH:149]=[C:129]2[C:171](=O)O[CH2:75][CH:65]2O)[C@@:40]3([CH3:17])[CH2:40][CH2:27][C@H:79](O)[C@:40]4([CH3:28])[CH3:17]', '27 30 H 16.62 -15.27 C:18 16.34 -16.07 C:19 14.43 -16.07 C:20 16.62 -11.46 O 21.57 -8.21 O 16.62 -8.21 O 12.93 -15.00 O 17.85 -16.40 C:12 19.08 -10.04 C:11 17.85 -10.75 C:2 14.15 -12.89 C:1 15.39 -12.17 C:15 18.38 -6.46 C:17 20.31 -12.17 C:7 19.08 -14.31 O 19.78 -6.46 O 20.31 -13.58 C:16 20.23 -7.79 C:13 19.08 -8.62 C:14 17.95 -7.79 C:3 14.15 -14.31 C:6 17.85 -15.00 C:9 17.85 -12.17 C:4 15.39 -15.00 C:10 16.62 -12.89 C:5 16.62 -14.31 C:8 19.08 -12.89 26 1 -2 24 2 -2 24 3 -1 25 4 -1 5 18 2 6 20 1 21 7 -1 22 8 -1 9 10 1 9 19 2 23 10 -1 11 12 1 11 21 1 12 25 1 13 16 1 13 20 1 14 17 1 27 14 -2 15 22 1 15 27 1 16 18 1 27 17 -1 18 19 1 19 20 1 21 24 1 22 26 1 23 25 1 23 27 1 24 26 1 25 26 1', '27 30 H 16.62 -15.27 C 16.34 -16.07 C 14.43 -16.07 C 16.62 -11.46 O 21.57 -8.21 O 16.62 -8.21 O 12.93 -15.00 O 17.85 -16.40 C 19.08 -10.04 C 17.85 -10.75 C 14.15 -12.89 C 15.39 -12.17 C 18.38 -6.46 C 20.31 -12.17 C 19.08 -14.31 O 19.78 -6.46 O 20.31 -13.58 C 20.23 -7.79 C 19.08 -8.62 C 17.95 -7.79 C 14.15 -14.31 C 17.85 -15.00 C 17.85 -12.17 C 15.39 -15.00 C 16.62 -12.89 C 16.62 -14.31 C 19.08 -12.89 26 1 -2 24 2 -2 24 3 -1 25 4 -1 5 18 2 6 20 1 21 7 -1 22 8 -1 9 10 1 9 19 2 23 10 -1 11 12 1 11 21 1 12 25 1 13 16 1 13 20 1 14 17 1 27 14 -2 15 22 1 15 27 1 16 18 1 27 17 -1 18 19 1 19 20 1 21 24 1 22 26 1 23 25 1 23 27 1 24 26 1 25 26 1', '27 30 H 16.62 -15.27 C:28 16.34 -16.07 C:17 14.43 -16.07 C:17 16.62 -11.46 O 21.57 -8.21 O 16.62 -8.21 O 12.93 -15.00 O 17.85 -16.40 C:149 19.08 -10.04 C:22 17.85 -10.75 C:27 14.15 -12.89 C:40 15.39 -12.17 C:75 18.38 -6.46 C:47 20.31 -12.17 C:44 19.08 -14.31 O 19.78 -6.46 O 20.31 -13.58 C:171 20.23 -7.79 C:129 19.08 -8.62 C:65 17.95 -7.79 C:79 14.15 -14.31 C:68 17.85 -15.00 C:53 17.85 -12.17 C:40 15.39 -15.00 C:40 16.62 -12.89 C:56 16.62 -14.31 C:57 19.08 -12.89 26 1 -2 24 2 -2 24 3 -1 25 4 -1 5 18 2 6 20 1 21 7 -1 22 8 -1 9 10 1 9 19 2 23 10 -1 11 12 1 11 21 1 12 25 1 13 16 1 13 20 1 14 17 1 27 14 -2 15 22 1 15 27 1 16 18 1 27 17 -1 18 19 1 19 20 1 21 24 1 22 26 1 23 25 1 23 27 1 24 26 1 25 26 1', 'C20H30O6', 366.218, 'C+M', 'ph06_433_8', 1110, '', '', '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
(14917, '', 'Labda-8(17),13E/Z-dien-19-yl acetate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH3:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12CCC(=C)[C@H](CCC(C)=CC)[C@@]1(C)CCC[C@]2(C)COC(C)=O', '[H][C@@:56]12[CH2:22][CH2:36][C:148](=[CH2:107])[C@H:56]([CH2:25][CH2:39][C:136]([CH3:15])=[CH:118][CH3:13])[C@@:40]1([CH3:13])[CH2:39][CH2:19][CH2:39][C@:37]2([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '25 26 H 17.46 -13.52 C:17 21.14 -10.42 C:15 21.14 -4.77 C:19002 15.16 -18.04 C:16 18.69 -6.17 C:18 17.18 -14.32 C:20 17.46 -9.71 O 13.37 -16.40 C:14 21.14 -6.17 C:2 15.00 -11.15 C:12 19.92 -8.29 C:7 19.92 -12.57 C:11 18.69 -8.99 C:3 15.00 -12.57 C:1 16.23 -10.42 C:6 18.69 -13.28 C:19 15.28 -14.32 O 15.70 -15.67 C:19001 14.75 -16.70 C:13 19.92 -6.87 C:8 19.92 -11.15 C:9 18.69 -10.42 C:5 17.46 -12.57 C:4 16.23 -13.28 C:10 17.46 -11.15 23 1 -2 2 21 2 3 9 1 4 19 1 5 20 1 24 6 -2 25 7 -1 8 19 2 9 20 2 10 14 1 10 15 1 11 13 1 11 20 1 12 16 1 12 21 1 22 13 -1 14 24 1 15 25 1 16 23 1 17 18 1 24 17 -1 18 19 1 21 22 1 22 25 1 23 24 1 23 25 1', '25 26 H 17.46 -13.52 C 21.14 -10.42 C 21.14 -4.77 C 15.16 -18.04 C 18.69 -6.17 C 17.18 -14.32 C 17.46 -9.71 O 13.37 -16.40 C 21.14 -6.17 C 15.00 -11.15 C 19.92 -8.29 C 19.92 -12.57 C 18.69 -8.99 C 15.00 -12.57 C 16.23 -10.42 C 18.69 -13.28 C 15.28 -14.32 O 15.70 -15.67 C 14.75 -16.70 C 19.92 -6.87 C 19.92 -11.15 C 18.69 -10.42 C 17.46 -12.57 C 16.23 -13.28 C 17.46 -11.15 23 1 -2 2 21 2 3 9 1 4 19 1 5 20 1 24 6 -2 25 7 -1 8 19 2 9 20 2 10 14 1 10 15 1 11 13 1 11 20 1 12 16 1 12 21 1 22 13 -1 14 24 1 15 25 1 16 23 1 17 18 1 24 17 -1 18 19 1 21 22 1 22 25 1 23 24 1 23 25 1', '25 26 H 17.46 -13.52 C:107 21.14 -10.42 C:13 21.14 -4.77 C:21 15.16 -18.04 C:15 18.69 -6.17 C:28 17.18 -14.32 C:13 17.46 -9.71 O 13.37 -16.40 C:118 21.14 -6.17 C:19 15.00 -11.15 C:39 19.92 -8.29 C:36 19.92 -12.57 C:25 18.69 -8.99 C:39 15.00 -12.57 C:39 16.23 -10.42 C:22 18.69 -13.28 C:67 15.28 -14.32 O 15.70 -15.67 C:171 14.75 -16.70 C:136 19.92 -6.87 C:148 19.92 -11.15 C:56 18.69 -10.42 C:56 17.46 -12.57 C:37 16.23 -13.28 C:40 17.46 -11.15 23 1 -2 2 21 2 3 9 1 4 19 1 5 20 1 24 6 -2 25 7 -1 8 19 2 9 20 2 10 14 1 10 15 1 11 13 1 11 20 1 12 16 1 12 21 1 22 13 -1 14 24 1 15 25 1 16 23 1 17 18 1 24 17 -1 18 19 1 21 22 1 22 25 1 23 24 1 23 25 1', 'C22H36O2', 332.242, 'C', 'np06_563_9b', 3785, '', '', '1', 1, NULL, NULL),
(14918, '', 'Methyl 8,13-dioxo-14,15,17-trinorlabdan-19-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]12CCC(=O)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC', '[H][C@@:55]12[CH2:26][CH2:43][C:212](=O)[C@H:62]([CH2:16][CH2:43][C:209]([CH3:29])=O)[C@@:44]1([CH3:13])[CH2:39][CH2:20][CH2:38][C@:44]2([CH3:29])[C:177](=O)O[CH3:51]', '23 24 H 17.63 -14.03 C:19001 13.14 -15.56 C:14 21.31 -6.67 C:18 17.35 -14.83 C:20 17.63 -10.21 O 18.85 -6.67 O 21.31 -10.92 O 15.86 -16.16 C:2 15.17 -11.65 C:12 20.08 -8.79 C:7 20.08 -13.08 C:11 18.85 -9.49 C:3 15.17 -13.08 C:1 16.40 -10.92 C:6 18.85 -13.79 O 14.08 -14.53 C:13 20.08 -7.37 C:8 20.08 -11.65 C:19 15.45 -14.83 C:9 18.85 -10.92 C:5 17.63 -13.08 C:4 16.40 -13.79 C:10 17.63 -11.65 21 1 -2 2 16 1 3 17 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 19 2 9 13 1 9 14 1 10 12 1 10 17 1 11 15 1 11 18 1 20 12 -1 13 22 1 14 23 1 15 21 1 16 19 1 18 20 1 22 19 -1 20 23 1 21 22 1 21 23 1', '23 24 H 17.63 -14.03 C 13.14 -15.56 C 21.31 -6.67 C 17.35 -14.83 C 17.63 -10.21 O 18.85 -6.67 O 21.31 -10.92 O 15.86 -16.16 C 15.17 -11.65 C 20.08 -8.79 C 20.08 -13.08 C 18.85 -9.49 C 15.17 -13.08 C 16.40 -10.92 C 18.85 -13.79 O 14.08 -14.53 C 20.08 -7.37 C 20.08 -11.65 C 15.45 -14.83 C 18.85 -10.92 C 17.63 -13.08 C 16.40 -13.79 C 17.63 -11.65 21 1 -2 2 16 1 3 17 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 19 2 9 13 1 9 14 1 10 12 1 10 17 1 11 15 1 11 18 1 20 12 -1 13 22 1 14 23 1 15 21 1 16 19 1 18 20 1 22 19 -1 20 23 1 21 22 1 21 23 1', '23 24 H 17.63 -14.03 C:51 13.14 -15.56 C:29 21.31 -6.67 C:29 17.35 -14.83 C:13 17.63 -10.21 O 18.85 -6.67 O 21.31 -10.92 O 15.86 -16.16 C:20 15.17 -11.65 C:43 20.08 -8.79 C:43 20.08 -13.08 C:16 18.85 -9.49 C:38 15.17 -13.08 C:39 16.40 -10.92 C:26 18.85 -13.79 O 14.08 -14.53 C:209 20.08 -7.37 C:212 20.08 -11.65 C:177 15.45 -14.83 C:62 18.85 -10.92 C:55 17.63 -13.08 C:44 16.40 -13.79 C:44 17.63 -11.65 21 1 -2 2 16 1 3 17 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 19 2 9 13 1 9 14 1 10 12 1 10 17 1 11 15 1 11 18 1 20 12 -1 13 22 1 14 23 1 15 21 1 16 19 1 18 20 1 22 19 -1 20 23 1 21 22 1 21 23 1', 'C18H28O4', 308.198, 'C', 'np06_563_10a', 3785, '', '', '1', 1, NULL, NULL),
(14919, '', '13-Oxo-14,15-dinorlabdan-19-yl acetate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12CCC(=C)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)COC(C)=O', '[H][C@@:56]12[CH2:25][CH2:39][C:148](=[CH2:107])[C@H:56]([CH2:18][CH2:43][C:209]([CH3:30])=O)[C@@:40]1([CH3:15])[CH2:39][CH2:19][CH2:36][C@:37]2([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '24 25 H 17.45 -12.85 C:17 21.13 -9.74 C:14 21.13 -5.49 C:19002 15.15 -17.35 C:18 17.17 -13.65 C:20 17.45 -9.03 O 18.67 -5.49 O 13.37 -15.72 C:2 14.99 -10.47 C:12 19.90 -7.61 C:7 19.90 -11.90 C:11 18.67 -8.31 C:3 14.99 -11.90 C:1 16.22 -9.74 C:6 18.67 -12.61 C:19 15.27 -13.65 O 15.69 -14.99 C:13 19.90 -6.19 C:19001 14.74 -16.02 C:8 19.90 -10.47 C:9 18.67 -9.74 C:5 17.45 -11.90 C:4 16.22 -12.61 C:10 17.45 -10.47 22 1 -2 2 20 2 3 18 1 4 19 1 23 5 -2 24 6 -1 7 18 2 8 19 2 9 13 1 9 14 1 10 12 1 10 18 1 11 15 1 11 20 1 21 12 -1 13 23 1 14 24 1 15 22 1 16 17 1 23 16 -1 17 19 1 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 17.45 -12.85 C 21.13 -9.74 C 21.13 -5.49 C 15.15 -17.35 C 17.17 -13.65 C 17.45 -9.03 O 18.67 -5.49 O 13.37 -15.72 C 14.99 -10.47 C 19.90 -7.61 C 19.90 -11.90 C 18.67 -8.31 C 14.99 -11.90 C 16.22 -9.74 C 18.67 -12.61 C 15.27 -13.65 O 15.69 -14.99 C 19.90 -6.19 C 14.74 -16.02 C 19.90 -10.47 C 18.67 -9.74 C 17.45 -11.90 C 16.22 -12.61 C 17.45 -10.47 22 1 -2 2 20 2 3 18 1 4 19 1 23 5 -2 24 6 -1 7 18 2 8 19 2 9 13 1 9 14 1 10 12 1 10 18 1 11 15 1 11 20 1 21 12 -1 13 23 1 14 24 1 15 22 1 16 17 1 23 16 -1 17 19 1 20 21 1 21 24 1 22 23 1 22 24 1', '24 25 H 17.45 -12.85 C:107 21.13 -9.74 C:30 21.13 -5.49 C:21 15.15 -17.35 C:28 17.17 -13.65 C:15 17.45 -9.03 O 18.67 -5.49 O 13.37 -15.72 C:19 14.99 -10.47 C:43 19.90 -7.61 C:39 19.90 -11.90 C:18 18.67 -8.31 C:36 14.99 -11.90 C:39 16.22 -9.74 C:25 18.67 -12.61 C:67 15.27 -13.65 O 15.69 -14.99 C:209 19.90 -6.19 C:171 14.74 -16.02 C:148 19.90 -10.47 C:56 18.67 -9.74 C:56 17.45 -11.90 C:37 16.22 -12.61 C:40 17.45 -10.47 22 1 -2 2 20 2 3 18 1 4 19 1 23 5 -2 24 6 -1 7 18 2 8 19 2 9 13 1 9 14 1 10 12 1 10 18 1 11 15 1 11 20 1 21 12 -1 13 23 1 14 24 1 15 22 1 16 17 1 23 16 -1 17 19 1 20 21 1 21 24 1 22 23 1 22 24 1', 'C20H32O3', 320.22, 'C', 'np06_563_11b', 3785, '', '', '1', 1, NULL, NULL),
(14920, '', 'Methyl 7r-tert-butyldimethylsilyloxy-8,13-dioxo-14,15,17-trinorlabdan- 19-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12CCC(=O)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)COC(C)=O', '[H][C@@:55]12[CH2:24][CH2:43][C:211](=O)[C@H:63]([CH2:16][CH2:43][C:209]([CH3:30])=O)[C@@:38]1([CH3:15])[CH2:39][CH2:19][CH2:36][C@:36]2([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '24 25 H 17.45 -12.85 C:14 21.13 -5.49 C:19002 15.15 -17.35 C:18 17.17 -13.65 C:20 17.45 -9.03 O 18.67 -5.49 O 13.37 -15.72 O 21.13 -9.74 C:2 14.99 -10.47 C:12 19.90 -7.61 C:7 19.90 -11.90 C:11 18.67 -8.31 C:3 14.99 -11.90 C:1 16.22 -9.74 C:6 18.67 -12.61 C:19 15.27 -13.65 O 15.69 -14.99 C:13 19.90 -6.19 C:19001 14.74 -16.02 C:8 19.90 -10.47 C:9 18.67 -9.74 C:4 16.22 -12.61 C:5 17.45 -11.90 C:10 17.45 -10.47 23 1 -2 2 18 1 3 19 1 22 4 -2 24 5 -1 6 18 2 7 19 2 8 20 2 9 13 1 9 14 1 10 12 1 10 18 1 11 15 1 11 20 1 21 12 -1 13 22 1 14 24 1 15 23 1 16 17 1 22 16 -1 17 19 1 20 21 1 21 24 1 22 23 1 23 24 1', '24 25 H 17.45 -12.85 C 21.13 -5.49 C 15.15 -17.35 C 17.17 -13.65 C 17.45 -9.03 O 18.67 -5.49 O 13.37 -15.72 O 21.13 -9.74 C 14.99 -10.47 C 19.90 -7.61 C 19.90 -11.90 C 18.67 -8.31 C 14.99 -11.90 C 16.22 -9.74 C 18.67 -12.61 C 15.27 -13.65 O 15.69 -14.99 C 19.90 -6.19 C 14.74 -16.02 C 19.90 -10.47 C 18.67 -9.74 C 16.22 -12.61 C 17.45 -11.90 C 17.45 -10.47 23 1 -2 2 18 1 3 19 1 22 4 -2 24 5 -1 6 18 2 7 19 2 8 20 2 9 13 1 9 14 1 10 12 1 10 18 1 11 15 1 11 20 1 21 12 -1 13 22 1 14 24 1 15 23 1 16 17 1 22 16 -1 17 19 1 20 21 1 21 24 1 22 23 1 23 24 1', '24 25 H 17.45 -12.85 C:30 21.13 -5.49 C:21 15.15 -17.35 C:28 17.17 -13.65 C:15 17.45 -9.03 O 18.67 -5.49 O 13.37 -15.72 O 21.13 -9.74 C:19 14.99 -10.47 C:43 19.90 -7.61 C:43 19.90 -11.90 C:16 18.67 -8.31 C:36 14.99 -11.90 C:39 16.22 -9.74 C:24 18.67 -12.61 C:67 15.27 -13.65 O 15.69 -14.99 C:209 19.90 -6.19 C:171 14.74 -16.02 C:211 19.90 -10.47 C:63 18.67 -9.74 C:36 16.22 -12.61 C:55 17.45 -11.90 C:38 17.45 -10.47 23 1 -2 2 18 1 3 19 1 22 4 -2 24 5 -1 6 18 2 7 19 2 8 20 2 9 13 1 9 14 1 10 12 1 10 18 1 11 15 1 11 20 1 21 12 -1 13 22 1 14 24 1 15 23 1 16 17 1 22 16 -1 17 19 1 20 21 1 21 24 1 22 23 1 23 24 1', 'C19H30O4', 322.209, 'C', 'np06_563_10b', 3785, 'Error chemical shift C-4 at 96.2 in the papaer', '', '1', 1, NULL, NULL),
(14921, '', '7α-tert-Butyldimethylsilyloxy-13-oxo-14,15-dinorlabdan-19-yl acetate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C@@H:7](O[Si]([CH3:7002])([CH3:7003])[C:7001]([CH3:7005])([CH3:7006])[CH3:7004])[C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12C[C@@H](OS(C)(C)C(C)(C)C)C(=C)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)COC(C)=O', '[H][C@@:48]12[CH2:33][C@@H:74](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:18])([CH3:18])[CH3:18])[C:150](=[CH2:108])[C@H:50]([CH2:17][CH2:42][C:210]([CH3:30])=O)[C@@:40]1([CH3:14])[CH2:39][CH2:19][CH2:36][C@:37]2([CH3:27])[CH2:67]O[C:172]([CH3:21])=O', '32 33 H 16.87 -12.87 C:17 20.52 -9.76 C:14 20.50 -5.50 C:19002 14.50 -17.38 C:7005 20.50 -16.85 C:7006 21.72 -16.16 C:7004 19.29 -16.14 C:18 16.60 -13.68 C:20 16.87 -9.05 C:7002 19.29 -14.73 C:7003 21.72 -14.75 O 18.09 -5.50 O 12.74 -15.71 C:2 14.40 -10.48 C:12 19.29 -7.63 C:11 18.09 -8.33 C:3 14.40 -11.92 C:1 15.65 -9.76 C:19 14.68 -13.68 C:6 18.09 -12.63 O 15.07 -15.03 O 20.52 -12.63 C:13 19.29 -6.20 C:19001 14.10 -16.04 C:8 19.29 -10.48 C:7 19.29 -11.92 C:9 18.09 -9.76 C:7001 20.51 -15.44 C:5 16.87 -11.92 C:4 15.65 -12.63 C:10 16.87 -10.48 Si 20.52 -14.04 29 1 -2 2 25 2 3 23 1 4 24 1 5 28 1 6 28 1 7 28 1 30 8 -2 31 9 -1 10 32 1 11 32 1 12 23 2 13 24 2 14 17 1 14 18 1 15 16 1 15 23 1 27 16 -1 17 30 1 18 31 1 19 21 1 30 19 -1 20 26 1 20 29 1 21 24 1 26 22 -2 22 32 1 25 26 1 25 27 1 27 31 1 28 32 1 29 30 1 29 31 1', '32 33 H 16.87 -12.87 C 20.52 -9.76 C 20.50 -5.50 C 14.50 -17.38 C 20.50 -16.85 C 21.72 -16.16 C 19.29 -16.14 C 16.60 -13.68 C 16.87 -9.05 C 19.29 -14.73 C 21.72 -14.75 O 18.09 -5.50 O 12.74 -15.71 C 14.40 -10.48 C 19.29 -7.63 C 18.09 -8.33 C 14.40 -11.92 C 15.65 -9.76 C 14.68 -13.68 C 18.09 -12.63 O 15.07 -15.03 O 20.52 -12.63 C 19.29 -6.20 C 14.10 -16.04 C 19.29 -10.48 C 19.29 -11.92 C 18.09 -9.76 C 20.51 -15.44 C 16.87 -11.92 C 15.65 -12.63 C 16.87 -10.48 Si 20.52 -14.04 29 1 -2 2 25 2 3 23 1 4 24 1 5 28 1 6 28 1 7 28 1 30 8 -2 31 9 -1 10 32 1 11 32 1 12 23 2 13 24 2 14 17 1 14 18 1 15 16 1 15 23 1 27 16 -1 17 30 1 18 31 1 19 21 1 30 19 -1 20 26 1 20 29 1 21 24 1 26 22 -2 22 32 1 25 26 1 25 27 1 27 31 1 28 32 1 29 30 1 29 31 1', '32 33 H 16.87 -12.87 C:108 20.52 -9.76 C:30 20.50 -5.50 C:21 14.50 -17.38 C:18 20.50 -16.85 C:18 21.72 -16.16 C:18 19.29 -16.14 C:27 16.60 -13.68 C:14 16.87 -9.05 C 19.29 -14.73 C 21.72 -14.75 O 18.09 -5.50 O 12.74 -15.71 C:19 14.40 -10.48 C:42 19.29 -7.63 C:17 18.09 -8.33 C:36 14.40 -11.92 C:39 15.65 -9.76 C:67 14.68 -13.68 C:33 18.09 -12.63 O 15.07 -15.03 O 20.52 -12.63 C:210 19.29 -6.20 C:172 14.10 -16.04 C:150 19.29 -10.48 C:74 19.29 -11.92 C:50 18.09 -9.76 C:26 20.51 -15.44 C:48 16.87 -11.92 C:37 15.65 -12.63 C:40 16.87 -10.48 Si 20.52 -14.04 29 1 -2 2 25 2 3 23 1 4 24 1 5 28 1 6 28 1 7 28 1 30 8 -2 31 9 -1 10 32 1 11 32 1 12 23 2 13 24 2 14 17 1 14 18 1 15 16 1 15 23 1 27 16 -1 17 30 1 18 31 1 19 21 1 30 19 -1 20 26 1 20 29 1 21 24 1 26 22 -2 22 32 1 25 26 1 25 27 1 27 31 1 28 32 1 29 30 1 29 31 1', 'C26H46O4S', 454.35, 'C', 'np06_563_12b', 3785, '', '', '1', 1, NULL, NULL),
(14922, '', '7α-tert-Butyldimethylsilyloxy-8,13-dioxo-14,15,17-trinorlabdan- 19-yl acetate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C@@H:7](O[Si]([CH3:7002])([CH3:7003])[C:7001]([CH3:7005])([CH3:7006])[CH3:7004])[C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12C[C@@H](OS(C)(C)C(C)(C)C)C(=O)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)COC(C)=O', '[H][C@@:47]12[CH2:33][C@@H:75](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:18])([CH3:18])[CH3:18])[C:211](=O)[C@H:58]([CH2:16][CH2:43][C:209]([CH3:30])=O)[C@@:42]1([CH3:15])[CH2:39][CH2:19][CH2:36][C@:37]2([CH3:27])[CH2:67]O[C:171]([CH3:21])=O', '32 33 H 16.85 -12.86 C:14 20.50 -5.45 C:19002 14.55 -17.36 C:7005 20.50 -16.82 C:7006 21.73 -16.11 C:7004 19.29 -16.11 C:18 16.57 -13.67 C:20 16.85 -9.02 C:7002 19.29 -14.71 C:7003 21.73 -14.71 O 18.09 -5.45 O 12.76 -15.72 O 20.50 -9.73 C:2 14.39 -10.46 C:12 19.29 -7.60 C:11 18.09 -8.30 C:3 14.39 -11.91 C:1 15.62 -9.73 C:19 14.67 -13.67 C:6 18.09 -12.62 O 15.08 -14.99 O 20.50 -12.62 C:13 19.29 -6.16 C:19001 14.13 -16.02 C:8 19.29 -10.46 C:7 19.29 -11.91 C:9 18.09 -9.73 C:7001 20.50 -15.42 C:4 15.62 -12.62 C:5 16.85 -11.91 C:10 16.85 -10.46 Si 20.50 -14.02 30 1 -2 2 23 1 3 24 1 4 28 1 5 28 1 6 28 1 29 7 -2 31 8 -1 9 32 1 10 32 1 11 23 2 12 24 2 13 25 2 14 17 1 14 18 1 15 16 1 15 23 1 27 16 -1 17 29 1 18 31 1 19 21 1 29 19 -1 20 26 1 20 30 1 21 24 1 26 22 -2 22 32 1 25 26 1 25 27 1 27 31 1 28 32 1 29 30 1 30 31 1', '32 33 H 16.85 -12.86 C 20.50 -5.45 C 14.55 -17.36 C 20.50 -16.82 C 21.73 -16.11 C 19.29 -16.11 C 16.57 -13.67 C 16.85 -9.02 C 19.29 -14.71 C 21.73 -14.71 O 18.09 -5.45 O 12.76 -15.72 O 20.50 -9.73 C 14.39 -10.46 C 19.29 -7.60 C 18.09 -8.30 C 14.39 -11.91 C 15.62 -9.73 C 14.67 -13.67 C 18.09 -12.62 O 15.08 -14.99 O 20.50 -12.62 C 19.29 -6.16 C 14.13 -16.02 C 19.29 -10.46 C 19.29 -11.91 C 18.09 -9.73 C 20.50 -15.42 C 15.62 -12.62 C 16.85 -11.91 C 16.85 -10.46 Si 20.50 -14.02 30 1 -2 2 23 1 3 24 1 4 28 1 5 28 1 6 28 1 29 7 -2 31 8 -1 9 32 1 10 32 1 11 23 2 12 24 2 13 25 2 14 17 1 14 18 1 15 16 1 15 23 1 27 16 -1 17 29 1 18 31 1 19 21 1 29 19 -1 20 26 1 20 30 1 21 24 1 26 22 -2 22 32 1 25 26 1 25 27 1 27 31 1 28 32 1 29 30 1 30 31 1', '32 33 H 16.85 -12.86 C:30 20.50 -5.45 C:21 14.55 -17.36 C:18 20.50 -16.82 C:18 21.73 -16.11 C:18 19.29 -16.11 C:27 16.57 -13.67 C:15 16.85 -9.02 C 19.29 -14.71 C 21.73 -14.71 O 18.09 -5.45 O 12.76 -15.72 O 20.50 -9.73 C:19 14.39 -10.46 C:43 19.29 -7.60 C:16 18.09 -8.30 C:36 14.39 -11.91 C:39 15.62 -9.73 C:67 14.67 -13.67 C:33 18.09 -12.62 O 15.08 -14.99 O 20.50 -12.62 C:209 19.29 -6.16 C:171 14.13 -16.02 C:211 19.29 -10.46 C:75 19.29 -11.91 C:58 18.09 -9.73 C:26 20.50 -15.42 C:37 15.62 -12.62 C:47 16.85 -11.91 C:42 16.85 -10.46 Si 20.50 -14.02 30 1 -2 2 23 1 3 24 1 4 28 1 5 28 1 6 28 1 29 7 -2 31 8 -1 9 32 1 10 32 1 11 23 2 12 24 2 13 25 2 14 17 1 14 18 1 15 16 1 15 23 1 27 16 -1 17 29 1 18 31 1 19 21 1 29 19 -1 20 26 1 20 30 1 21 24 1 26 22 -2 22 32 1 25 26 1 25 27 1 27 31 1 28 32 1 29 30 1 30 31 1', 'C25H44O5S', 456.338, 'C', 'np06_563_13b ', 3785, '', '', '3', 1, NULL, NULL),
(14923, '', 'Methyl 13-oxo-podocarp-8(14)-en-19-oate', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:18])([C:19](=O)O[CH3:19001])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@@]12CCC(=O)C=C1CC[C@]3([H])[C@@](C)(C(=O)OC)CCC[C@]23C', '[H][C@@:55]12[CH2:21][CH2:40][C:200](=O)[CH:126]=[C:165]1[CH2:37][CH2:24][C@:51]3([H])[C@@:44]([CH3:29])([C:178](=O)O[CH3:51])[CH2:37][CH2:20][CH2:38][C@:41]23[CH3:14]', '23 25 H 17.77 -10.38 H 16.53 -12.51 C:19001 13.78 -15.69 C:18 16.26 -13.33 C:20 16.53 -8.64 O 21.49 -7.21 O 12.96 -13.04 C:14 20.27 -9.36 C:2 14.05 -10.09 C:12 19.06 -7.21 C:7 19.06 -11.55 C:3 14.05 -11.55 C:1 15.29 -9.36 C:11 17.77 -7.93 C:6 17.77 -12.27 O 14.73 -14.67 C:13 20.27 -7.93 C:19 14.33 -13.33 C:8 19.06 -10.09 C:9 17.77 -9.36 C:5 16.53 -11.55 C:4 15.29 -12.27 C:10 16.53 -10.09 20 1 -1 21 2 -1 3 16 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 17 1 8 19 2 9 12 1 9 13 1 10 14 1 10 17 1 11 15 1 11 19 1 12 22 1 13 23 1 14 20 1 15 21 1 16 18 1 22 18 -1 19 20 1 20 23 1 21 22 1 21 23 1', '23 25 H 17.77 -10.38 H 16.53 -12.51 C 13.78 -15.69 C 16.26 -13.33 C 16.53 -8.64 O 21.49 -7.21 O 12.96 -13.04 C 20.27 -9.36 C 14.05 -10.09 C 19.06 -7.21 C 19.06 -11.55 C 14.05 -11.55 C 15.29 -9.36 C 17.77 -7.93 C 17.77 -12.27 O 14.73 -14.67 C 20.27 -7.93 C 14.33 -13.33 C 19.06 -10.09 C 17.77 -9.36 C 16.53 -11.55 C 15.29 -12.27 C 16.53 -10.09 20 1 -1 21 2 -1 3 16 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 17 1 8 19 2 9 12 1 9 13 1 10 14 1 10 17 1 11 15 1 11 19 1 12 22 1 13 23 1 14 20 1 15 21 1 16 18 1 22 18 -1 19 20 1 20 23 1 21 22 1 21 23 1', '23 25 H 17.77 -10.38 H 16.53 -12.51 C:51 13.78 -15.69 C:29 16.26 -13.33 C:14 16.53 -8.64 O 21.49 -7.21 O 12.96 -13.04 C:126 20.27 -9.36 C:20 14.05 -10.09 C:40 19.06 -7.21 C:37 19.06 -11.55 C:37 14.05 -11.55 C:38 15.29 -9.36 C:21 17.77 -7.93 C:24 17.77 -12.27 O 14.73 -14.67 C:200 20.27 -7.93 C:178 14.33 -13.33 C:165 19.06 -10.09 C:55 17.77 -9.36 C:51 16.53 -11.55 C:44 15.29 -12.27 C:41 16.53 -10.09 20 1 -1 21 2 -1 3 16 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 17 1 8 19 2 9 12 1 9 13 1 10 14 1 10 17 1 11 15 1 11 19 1 12 22 1 13 23 1 14 20 1 15 21 1 16 18 1 22 18 -1 19 20 1 20 23 1 21 22 1 21 23 1', 'C18H26O3', 290.207, 'C', 'np06_563_15a', 3785, '', '', '1', 1, NULL, NULL),
(14924, '', '19-Hydroxypodocarp-8(14)-en-13-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:18])([CH2:19]O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@@]12CCC(=O)C=C1CC[C@]3([H])[C@@](C)(CO)CCC[C@]23C', '[H][C@@:55]12[CH2:21][CH2:39][C:200](=O)[CH:126]=[C:165]1[CH2:35][CH2:22][C@:52]3([H])[C@@:39]([CH3:27])([CH2:65]O)[CH2:36][CH2:19][CH2:37][C@:39]23[CH3:16]', '21 23 H 17.22 -10.88 H 15.98 -13.01 C:18 15.71 -13.83 C:20 15.98 -9.15 O 20.94 -7.72 O 14.18 -15.18 C:14 19.72 -9.87 C:19 13.78 -13.83 C:2 13.50 -10.60 C:12 18.51 -7.72 C:7 18.51 -12.05 C:11 17.22 -8.44 C:3 13.50 -12.05 C:6 17.22 -12.77 C:1 14.74 -9.87 C:13 19.72 -8.44 C:8 18.51 -10.60 C:9 17.22 -9.87 C:5 15.98 -12.05 C:4 14.74 -12.77 C:10 15.98 -10.60 18 1 -1 19 2 -1 20 3 -2 21 4 -1 5 16 2 6 8 1 7 16 1 7 17 2 20 8 -1 9 13 1 9 15 1 10 12 1 10 16 1 11 14 1 11 17 1 12 18 1 13 20 1 14 19 1 15 21 1 17 18 1 18 21 1 19 20 1 19 21 1', '21 23 H 17.22 -10.88 H 15.98 -13.01 C 15.71 -13.83 C 15.98 -9.15 O 20.94 -7.72 O 14.18 -15.18 C 19.72 -9.87 C 13.78 -13.83 C 13.50 -10.60 C 18.51 -7.72 C 18.51 -12.05 C 17.22 -8.44 C 13.50 -12.05 C 17.22 -12.77 C 14.74 -9.87 C 19.72 -8.44 C 18.51 -10.60 C 17.22 -9.87 C 15.98 -12.05 C 14.74 -12.77 C 15.98 -10.60 18 1 -1 19 2 -1 20 3 -2 21 4 -1 5 16 2 6 8 1 7 16 1 7 17 2 20 8 -1 9 13 1 9 15 1 10 12 1 10 16 1 11 14 1 11 17 1 12 18 1 13 20 1 14 19 1 15 21 1 17 18 1 18 21 1 19 20 1 19 21 1', '21 23 H 17.22 -10.88 H 15.98 -13.01 C:27 15.71 -13.83 C:16 15.98 -9.15 O 20.94 -7.72 O 14.18 -15.18 C:126 19.72 -9.87 C:65 13.78 -13.83 C:19 13.50 -10.60 C:39 18.51 -7.72 C:35 18.51 -12.05 C:21 17.22 -8.44 C:36 13.50 -12.05 C:22 17.22 -12.77 C:37 14.74 -9.87 C:200 19.72 -8.44 C:165 18.51 -10.60 C:55 17.22 -9.87 C:52 15.98 -12.05 C:39 14.74 -12.77 C:39 15.98 -10.60 18 1 -1 19 2 -1 20 3 -2 21 4 -1 5 16 2 6 8 1 7 16 1 7 17 2 20 8 -1 9 13 1 9 15 1 10 12 1 10 16 1 11 14 1 11 17 1 12 18 1 13 20 1 14 19 1 15 21 1 17 18 1 18 21 1 19 20 1 19 21 1', 'C17H26O2', 262.197, 'C', 'np06_563_15b', 3785, '', '', '1', 1, NULL, NULL),
(14925, '', 'Methyl 7α-tert-butyldimethylsilyloxy-13-oxo-podocarp-8(14)-en-19-oate', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[C@H:7](O[Si]([CH3:7003])([CH3:7002])[C:7001]([CH3:7004])([CH3:7006])[CH3:7005])[CH2:6][C@:5]3([H])[C@@:4]([CH3:18])([C:19](=O)O[CH3:19001])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@@]12CCC(=O)C=C1[C@H](OS(C)(C)C(C)(C)C)C[C@]3([H])[C@@](C)(C(=O)OC)CCC[C@]23C', '[H][C@@:48]12[CH2:20][CH2:40][C:201](=O)[CH:125]=[C:164]1[C@H:72](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:18])([CH3:18])[CH3:18])[CH2:33][C@:45]3([H])[C@@:44]([CH3:29])([C:178](=O)O[CH3:51])[CH2:36][CH2:20][CH2:38][C@:41]23[CH3:14]', '31 33 H 17.80 -9.96 H 16.56 -12.09 C:19001 13.83 -15.27 C:7004 19.08 -15.27 C:7006 21.51 -15.34 C:7005 20.30 -16.05 C:18 16.29 -12.93 C:20 16.56 -8.20 C:7003 21.51 -13.95 C:7002 19.08 -13.95 O 21.51 -6.77 O 13.01 -12.65 C:14 20.30 -8.94 C:2 14.09 -9.67 C:12 19.08 -6.77 C:11 17.80 -7.49 C:3 14.09 -11.13 C:1 15.32 -8.94 C:6 17.80 -11.85 O 14.78 -14.26 O 20.30 -11.85 C:13 20.30 -7.49 C:19 14.37 -12.93 C:8 19.08 -9.67 C:7 19.08 -11.13 C:7001 20.30 -14.65 C:9 17.80 -8.94 C:5 16.56 -11.13 C:4 15.32 -11.85 C:10 16.56 -9.67 Si 20.30 -13.27 27 1 -1 28 2 -1 3 20 1 4 26 1 5 26 1 6 26 1 29 7 -2 30 8 -1 9 31 1 10 31 1 11 22 2 12 23 2 13 22 1 13 24 2 14 17 1 14 18 1 15 16 1 15 22 1 16 27 1 17 29 1 18 30 1 19 25 1 19 28 1 20 23 1 25 21 -2 21 31 1 29 23 -1 24 25 1 24 27 1 26 31 1 27 30 1 28 29 1 28 30 1', '31 33 H 17.80 -9.96 H 16.56 -12.09 C 13.83 -15.27 C 19.08 -15.27 C 21.51 -15.34 C 20.30 -16.05 C 16.29 -12.93 C 16.56 -8.20 C 21.51 -13.95 C 19.08 -13.95 O 21.51 -6.77 O 13.01 -12.65 C 20.30 -8.94 C 14.09 -9.67 C 19.08 -6.77 C 17.80 -7.49 C 14.09 -11.13 C 15.32 -8.94 C 17.80 -11.85 O 14.78 -14.26 O 20.30 -11.85 C 20.30 -7.49 C 14.37 -12.93 C 19.08 -9.67 C 19.08 -11.13 C 20.30 -14.65 C 17.80 -8.94 C 16.56 -11.13 C 15.32 -11.85 C 16.56 -9.67 Si 20.30 -13.27 27 1 -1 28 2 -1 3 20 1 4 26 1 5 26 1 6 26 1 29 7 -2 30 8 -1 9 31 1 10 31 1 11 22 2 12 23 2 13 22 1 13 24 2 14 17 1 14 18 1 15 16 1 15 22 1 16 27 1 17 29 1 18 30 1 19 25 1 19 28 1 20 23 1 25 21 -2 21 31 1 29 23 -1 24 25 1 24 27 1 26 31 1 27 30 1 28 29 1 28 30 1', '31 33 H 17.80 -9.96 H 16.56 -12.09 C:51 13.83 -15.27 C:18 19.08 -15.27 C:18 21.51 -15.34 C:18 20.30 -16.05 C:29 16.29 -12.93 C:14 16.56 -8.20 C 21.51 -13.95 C 19.08 -13.95 O 21.51 -6.77 O 13.01 -12.65 C:125 20.30 -8.94 C:20 14.09 -9.67 C:40 19.08 -6.77 C:20 17.80 -7.49 C:36 14.09 -11.13 C:38 15.32 -8.94 C:33 17.80 -11.85 O 14.78 -14.26 O 20.30 -11.85 C:201 20.30 -7.49 C:178 14.37 -12.93 C:164 19.08 -9.67 C:72 19.08 -11.13 C:26 20.30 -14.65 C:48 17.80 -8.94 C:45 16.56 -11.13 C:44 15.32 -11.85 C:41 16.56 -9.67 Si 20.30 -13.27 27 1 -1 28 2 -1 3 20 1 4 26 1 5 26 1 6 26 1 29 7 -2 30 8 -1 9 31 1 10 31 1 11 22 2 12 23 2 13 22 1 13 24 2 14 17 1 14 18 1 15 16 1 15 22 1 16 27 1 17 29 1 18 30 1 19 25 1 19 28 1 20 23 1 25 21 -2 21 31 1 29 23 -1 24 25 1 24 27 1 26 31 1 27 30 1 28 29 1 28 30 1', 'C24H40O4S', 424.336, 'C', 'np06_563_16a', 3785, '', '', '1', 1, NULL, NULL),
(14926, '', '7α-tert-Butyldimethylsilyloxy-19-hydroxypodocarp-8(14)-en-13-one', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:9]12[CH2:11][CH2:12][C:13](=O)[CH:14]=[C:8]1[C@H:7](O[Si]([CH3:7002])([CH3:7003])[C:7001]([CH3:7005])([CH3:7006])[CH3:7004])[CH2:6][C@:5]3([H])[C@@:4]([CH3:18])([CH2:19]O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@@]12CCC(=O)C=C1[C@H](OS(C)(C)C(C)(C)C)C[C@]3([H])[C@@](C)(CO)CCC[C@]23C', '[H][C@@:47]12[CH2:19][CH2:39][C:201](=O)[CH:126]=[C:164]1[C@H:72](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:18])([CH3:18])[CH3:18])[CH2:31][C@:47]3([H])[C@@:38]([CH3:27])([CH2:66]O)[CH2:36][CH2:20][CH2:37][C@:40]23[CH3:16]', '29 31 H 17.28 -9.95 H 16.04 -12.07 C:7005 19.76 -16.04 C:7006 20.99 -15.33 C:7004 18.55 -15.33 C:18 15.76 -12.89 C:20 16.04 -8.21 C:7002 18.55 -13.93 C:7003 20.99 -13.93 O 20.99 -6.77 O 14.24 -14.23 C:14 19.76 -8.94 C:2 13.55 -9.67 C:19 13.83 -12.89 C:12 18.55 -6.77 C:3 13.55 -11.12 C:1 14.79 -8.94 C:11 17.28 -7.50 C:6 17.28 -11.83 O 19.76 -11.83 C:13 19.76 -7.50 C:8 18.55 -9.67 C:7 18.55 -11.12 C:7001 19.76 -14.64 C:9 17.28 -8.94 C:4 14.79 -11.83 C:5 16.04 -11.12 C:10 16.04 -9.67 Si 19.76 -13.23 25 1 -1 27 2 -1 3 24 1 4 24 1 5 24 1 26 6 -2 28 7 -1 8 29 1 9 29 1 10 21 2 11 14 1 12 21 1 12 22 2 13 16 1 13 17 1 26 14 -1 15 18 1 15 21 1 16 26 1 17 28 1 18 25 1 19 23 1 19 27 1 23 20 -2 20 29 1 22 23 1 22 25 1 24 29 1 25 28 1 26 27 1 27 28 1', '29 31 H 17.28 -9.95 H 16.04 -12.07 C 19.76 -16.04 C 20.99 -15.33 C 18.55 -15.33 C 15.76 -12.89 C 16.04 -8.21 C 18.55 -13.93 C 20.99 -13.93 O 20.99 -6.77 O 14.24 -14.23 C 19.76 -8.94 C 13.55 -9.67 C 13.83 -12.89 C 18.55 -6.77 C 13.55 -11.12 C 14.79 -8.94 C 17.28 -7.50 C 17.28 -11.83 O 19.76 -11.83 C 19.76 -7.50 C 18.55 -9.67 C 18.55 -11.12 C 19.76 -14.64 C 17.28 -8.94 C 14.79 -11.83 C 16.04 -11.12 C 16.04 -9.67 Si 19.76 -13.23 25 1 -1 27 2 -1 3 24 1 4 24 1 5 24 1 26 6 -2 28 7 -1 8 29 1 9 29 1 10 21 2 11 14 1 12 21 1 12 22 2 13 16 1 13 17 1 26 14 -1 15 18 1 15 21 1 16 26 1 17 28 1 18 25 1 19 23 1 19 27 1 23 20 -2 20 29 1 22 23 1 22 25 1 24 29 1 25 28 1 26 27 1 27 28 1', '29 31 H 17.28 -9.95 H 16.04 -12.07 C:18 19.76 -16.04 C:18 20.99 -15.33 C:18 18.55 -15.33 C:27 15.76 -12.89 C:16 16.04 -8.21 C 18.55 -13.93 C 20.99 -13.93 O 20.99 -6.77 O 14.24 -14.23 C:126 19.76 -8.94 C:20 13.55 -9.67 C:66 13.83 -12.89 C:39 18.55 -6.77 C:36 13.55 -11.12 C:37 14.79 -8.94 C:19 17.28 -7.50 C:31 17.28 -11.83 O 19.76 -11.83 C:201 19.76 -7.50 C:164 18.55 -9.67 C:72 18.55 -11.12 C:26 19.76 -14.64 C:47 17.28 -8.94 C:38 14.79 -11.83 C:47 16.04 -11.12 C:40 16.04 -9.67 Si 19.76 -13.23 25 1 -1 27 2 -1 3 24 1 4 24 1 5 24 1 26 6 -2 28 7 -1 8 29 1 9 29 1 10 21 2 11 14 1 12 21 1 12 22 2 13 16 1 13 17 1 26 14 -1 15 18 1 15 21 1 16 26 1 17 28 1 18 25 1 19 23 1 19 27 1 23 20 -2 20 29 1 22 23 1 22 25 1 24 29 1 25 28 1 26 27 1 27 28 1', 'C23H40O3S', 396.326, 'C', 'np06_563_16b', 3785, '', '', '1', 1, NULL, NULL),
(14927, '', 'Methyl 7α-tert-butyldimethylsilyloxy-8,13-dioxo-14,15,17-trinorlabdan-19-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C@@H:7](O[Si]([CH3:7003])([CH3:7002])[C:7001]([CH3:7004])([CH3:7006])[CH3:7005])[C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:14])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]12C[C@@H](OS(C)(C)C(C)(C)C)C(=O)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)C(=O)OC', '[H][C@@:48]12[CH2:34][C@@H:76](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:18])([CH3:18])[CH3:18])[C:212](=O)[C@H:57]([CH2:16][CH2:42][C:209]([CH3:30])=O)[C@@:44]1([CH3:13])[CH2:40][CH2:20][CH2:38][C@:44]2([CH3:29])[C:177](=O)O[CH3:51]', '31 32 H 17.06 -13.14 C:19001 12.58 -14.67 C:14 20.70 -5.76 C:7004 19.47 -16.39 C:7006 21.91 -16.41 C:7005 20.71 -17.10 C:18 16.78 -13.94 C:20 17.06 -9.31 C:7003 21.91 -15.01 C:7002 19.47 -14.99 O 18.28 -5.76 O 15.30 -15.28 O 20.71 -10.02 C:2 14.60 -10.75 C:12 19.47 -7.89 C:11 18.28 -8.59 C:3 14.60 -12.19 C:1 15.83 -10.02 C:6 18.28 -12.90 O 13.51 -13.64 O 20.72 -12.90 C:13 19.47 -6.46 C:19 14.88 -13.94 C:8 19.47 -10.75 C:7 19.47 -12.19 C:9 18.28 -10.02 C:7001 20.70 -15.70 C:5 17.06 -12.19 C:4 15.83 -12.90 C:10 17.06 -10.75 Si 20.71 -14.30 28 1 -2 2 20 1 3 22 1 4 27 1 5 27 1 6 27 1 29 7 -2 30 8 -1 9 31 1 10 31 1 11 22 2 12 23 2 13 24 2 14 17 1 14 18 1 15 16 1 15 22 1 26 16 -1 17 29 1 18 30 1 19 25 1 19 28 1 20 23 1 25 21 -2 21 31 1 29 23 -1 24 25 1 24 26 1 26 30 1 27 31 1 28 29 1 28 30 1', '31 32 H 17.06 -13.14 C 12.58 -14.67 C 20.70 -5.76 C 19.47 -16.39 C 21.91 -16.41 C 20.71 -17.10 C 16.78 -13.94 C 17.06 -9.31 C 21.91 -15.01 C 19.47 -14.99 O 18.28 -5.76 O 15.30 -15.28 O 20.71 -10.02 C 14.60 -10.75 C 19.47 -7.89 C 18.28 -8.59 C 14.60 -12.19 C 15.83 -10.02 C 18.28 -12.90 O 13.51 -13.64 O 20.72 -12.90 C 19.47 -6.46 C 14.88 -13.94 C 19.47 -10.75 C 19.47 -12.19 C 18.28 -10.02 C 20.70 -15.70 C 17.06 -12.19 C 15.83 -12.90 C 17.06 -10.75 Si 20.71 -14.30 28 1 -2 2 20 1 3 22 1 4 27 1 5 27 1 6 27 1 29 7 -2 30 8 -1 9 31 1 10 31 1 11 22 2 12 23 2 13 24 2 14 17 1 14 18 1 15 16 1 15 22 1 26 16 -1 17 29 1 18 30 1 19 25 1 19 28 1 20 23 1 25 21 -2 21 31 1 29 23 -1 24 25 1 24 26 1 26 30 1 27 31 1 28 29 1 28 30 1', '31 32 H 17.06 -13.14 C:51 12.58 -14.67 C:30 20.70 -5.76 C:18 19.47 -16.39 C:18 21.91 -16.41 C:18 20.71 -17.10 C:29 16.78 -13.94 C:13 17.06 -9.31 C 21.91 -15.01 C 19.47 -14.99 O 18.28 -5.76 O 15.30 -15.28 O 20.71 -10.02 C:20 14.60 -10.75 C:42 19.47 -7.89 C:16 18.28 -8.59 C:38 14.60 -12.19 C:40 15.83 -10.02 C:34 18.28 -12.90 O 13.51 -13.64 O 20.72 -12.90 C:209 19.47 -6.46 C:177 14.88 -13.94 C:212 19.47 -10.75 C:76 19.47 -12.19 C:57 18.28 -10.02 C:26 20.70 -15.70 C:48 17.06 -12.19 C:44 15.83 -12.90 C:44 17.06 -10.75 Si 20.71 -14.30 28 1 -2 2 20 1 3 22 1 4 27 1 5 27 1 6 27 1 29 7 -2 30 8 -1 9 31 1 10 31 1 11 22 2 12 23 2 13 24 2 14 17 1 14 18 1 15 16 1 15 22 1 26 16 -1 17 29 1 18 30 1 19 25 1 19 28 1 20 23 1 25 21 -2 21 31 1 29 23 -1 24 25 1 24 26 1 26 30 1 27 31 1 28 29 1 28 30 1', 'C24H42O5S', 442.328, 'C', 'np06_563_13a', 3785, '', '', '1', 1, NULL, NULL),
(14928, '', 'Methyl 7α-tert-butyldimethylsilyloxy-13-hydroxy-8,11,13-podocarpatrien-19-oate', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@:5]23[CH2:6][C@@H:7](O[Si]([CH3:7002])([CH3:7003])[C:7001]([CH3:7005])([CH3:7006])[CH3:7004])[c:8]1[cH:14][c:13](O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@]23C[C@@H](OS(C)(C)C(C)(C)C)c1cc(O)ccc1[C@@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@:46]23[CH2:31][C@@H:69](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:18])([CH3:18])[CH3:18])[c:139]1[cH:115][c:153](O)[cH:116][cH:127][c:141]1[C@@:38]2([CH3:22])[CH2:39][CH2:20][CH2:38][C@:44]3([CH3:29])[C:178](=O)O[CH3:51]', '30 32 H 16.56 -12.06 C:19001 13.87 -15.24 C:7005 20.26 -16.03 C:7006 21.47 -15.33 C:7004 19.05 -15.33 C:18 16.28 -12.87 C:20 16.56 -8.25 C:7002 19.05 -13.92 C:7003 21.47 -13.92 O 13.01 -12.58 O 21.47 -6.85 C:12 19.05 -6.85 C:11 17.79 -7.56 C:14 20.26 -8.97 C:2 14.10 -9.69 C:3 14.10 -11.12 C:1 15.32 -8.97 C:6 17.79 -11.82 O 14.81 -14.20 O 20.26 -11.82 C:19 14.38 -12.87 C:13 20.26 -7.56 C:8 19.05 -9.69 C:9 17.79 -8.97 C:7 19.05 -11.12 C:7001 20.26 -14.63 C:4 15.32 -11.82 C:5 16.56 -11.12 C:10 16.56 -9.69 Si 20.26 -13.22 28 1 -1 2 19 1 3 26 1 4 26 1 5 26 1 27 6 -2 29 7 -1 8 30 1 9 30 1 10 21 2 11 22 1 12 13 1 12 22 2 13 24 2 14 22 1 14 23 2 15 16 1 15 17 1 16 27 1 17 29 1 18 25 1 18 28 1 19 21 1 25 20 -2 20 30 1 27 21 -1 23 24 1 23 25 1 24 29 1 26 30 1 27 28 1 28 29 1', '30 32 H 16.56 -12.06 C 13.87 -15.24 C 20.26 -16.03 C 21.47 -15.33 C 19.05 -15.33 C 16.28 -12.87 C 16.56 -8.25 C 19.05 -13.92 C 21.47 -13.92 O 13.01 -12.58 O 21.47 -6.85 C 19.05 -6.85 C 17.79 -7.56 C 20.26 -8.97 C 14.10 -9.69 C 14.10 -11.12 C 15.32 -8.97 C 17.79 -11.82 O 14.81 -14.20 O 20.26 -11.82 C 14.38 -12.87 C 20.26 -7.56 C 19.05 -9.69 C 17.79 -8.97 C 19.05 -11.12 C 20.26 -14.63 C 15.32 -11.82 C 16.56 -11.12 C 16.56 -9.69 Si 20.26 -13.22 28 1 -1 2 19 1 3 26 1 4 26 1 5 26 1 27 6 -2 29 7 -1 8 30 1 9 30 1 10 21 2 11 22 1 12 13 1 12 22 2 13 24 2 14 22 1 14 23 2 15 16 1 15 17 1 16 27 1 17 29 1 18 25 1 18 28 1 19 21 1 25 20 -2 20 30 1 27 21 -1 23 24 1 23 25 1 24 29 1 26 30 1 27 28 1 28 29 1', '30 32 H 16.56 -12.06 C:51 13.87 -15.24 C:18 20.26 -16.03 C:18 21.47 -15.33 C:18 19.05 -15.33 C:29 16.28 -12.87 C:22 16.56 -8.25 C 19.05 -13.92 C 21.47 -13.92 O 13.01 -12.58 O 21.47 -6.85 C:116 19.05 -6.85 C:127 17.79 -7.56 C:115 20.26 -8.97 C:20 14.10 -9.69 C:38 14.10 -11.12 C:39 15.32 -8.97 C:31 17.79 -11.82 O 14.81 -14.20 O 20.26 -11.82 C:178 14.38 -12.87 C:153 20.26 -7.56 C:139 19.05 -9.69 C:141 17.79 -8.97 C:69 19.05 -11.12 C:26 20.26 -14.63 C:44 15.32 -11.82 C:46 16.56 -11.12 C:38 16.56 -9.69 Si 20.26 -13.22 28 1 -1 2 19 1 3 26 1 4 26 1 5 26 1 27 6 -2 29 7 -1 8 30 1 9 30 1 10 21 2 11 22 1 12 13 1 12 22 2 13 24 2 14 22 1 14 23 2 15 16 1 15 17 1 16 27 1 17 29 1 18 25 1 18 28 1 19 21 1 25 20 -2 20 30 1 27 21 -1 23 24 1 23 25 1 24 29 1 26 30 1 27 28 1 28 29 1', 'C24H38O4S', 422.328, 'C', 'np06_563_19a', 3785, '', '', '1', 1, NULL, NULL),
(14929, '', '7α-tert-Butyldimethylsilyloxy-13,19-dihydroxy-8,11,13-podocarpatriene', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@:5]23[CH2:6][C@@H:7](O[Si]([CH3:7002])([CH3:7003])[C:7001]([CH3:7005])([CH3:7006])[CH3:7004])[c:8]1[cH:14][c:13](O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH2:19]O', '[H][C@]23C[C@@H](OS(C)(C)C(C)(C)C)c1cc(O)ccc1[C@@]2(C)CCC[C@]3(C)CO', '[H][C@:45]23[CH2:30][C@@H:69](O[Si]([CH3:9999])([CH3:9999])[C:26]([CH3:19])([CH3:19])[CH3:19])[c:138]1[cH:114][c:157](O)[cH:114][cH:126][c:142]1[C@@:38]2([CH3:25])[CH2:39][CH2:19][CH2:35][C@:38]3([CH3:27])[CH2:66]O', '28 30 H 16.05 -12.06 C:7005 19.74 -16.03 C:7006 20.95 -15.33 C:7004 18.53 -15.33 C:18 15.77 -12.87 C:20 16.05 -8.24 C:7002 18.53 -13.92 C:7003 20.95 -13.92 O 14.30 -14.20 O 20.95 -6.84 C:12 18.53 -6.84 C:11 17.28 -7.55 C:14 19.74 -8.97 C:19 13.87 -12.87 C:2 13.59 -9.69 C:3 13.59 -11.12 C:1 14.81 -8.97 C:6 17.28 -11.82 O 19.74 -11.82 C:13 19.74 -7.55 C:8 18.53 -9.69 C:9 17.28 -8.97 C:7 18.53 -11.12 C:7001 19.74 -14.63 C:4 14.81 -11.82 C:5 16.05 -11.12 C:10 16.05 -9.69 Si 19.74 -13.22 26 1 -1 2 24 1 3 24 1 4 24 1 25 5 -2 27 6 -1 7 28 1 8 28 1 9 14 1 10 20 1 11 12 1 11 20 2 12 22 2 13 20 1 13 21 2 25 14 -1 15 16 1 15 17 1 16 25 1 17 27 1 18 23 1 18 26 1 23 19 -2 19 28 1 21 22 1 21 23 1 22 27 1 24 28 1 25 26 1 26 27 1', '28 30 H 16.05 -12.06 C 19.74 -16.03 C 20.95 -15.33 C 18.53 -15.33 C 15.77 -12.87 C 16.05 -8.24 C 18.53 -13.92 C 20.95 -13.92 O 14.30 -14.20 O 20.95 -6.84 C 18.53 -6.84 C 17.28 -7.55 C 19.74 -8.97 C 13.87 -12.87 C 13.59 -9.69 C 13.59 -11.12 C 14.81 -8.97 C 17.28 -11.82 O 19.74 -11.82 C 19.74 -7.55 C 18.53 -9.69 C 17.28 -8.97 C 18.53 -11.12 C 19.74 -14.63 C 14.81 -11.82 C 16.05 -11.12 C 16.05 -9.69 Si 19.74 -13.22 26 1 -1 2 24 1 3 24 1 4 24 1 25 5 -2 27 6 -1 7 28 1 8 28 1 9 14 1 10 20 1 11 12 1 11 20 2 12 22 2 13 20 1 13 21 2 25 14 -1 15 16 1 15 17 1 16 25 1 17 27 1 18 23 1 18 26 1 23 19 -2 19 28 1 21 22 1 21 23 1 22 27 1 24 28 1 25 26 1 26 27 1', '28 30 H 16.05 -12.06 C:19 19.74 -16.03 C:19 20.95 -15.33 C:19 18.53 -15.33 C:27 15.77 -12.87 C:25 16.05 -8.24 C 18.53 -13.92 C 20.95 -13.92 O 14.30 -14.20 O 20.95 -6.84 C:114 18.53 -6.84 C:126 17.28 -7.55 C:114 19.74 -8.97 C:66 13.87 -12.87 C:19 13.59 -9.69 C:35 13.59 -11.12 C:39 14.81 -8.97 C:30 17.28 -11.82 O 19.74 -11.82 C:157 19.74 -7.55 C:138 18.53 -9.69 C:142 17.28 -8.97 C:69 18.53 -11.12 C:26 19.74 -14.63 C:38 14.81 -11.82 C:45 16.05 -11.12 C:38 16.05 -9.69 Si 19.74 -13.22 26 1 -1 2 24 1 3 24 1 4 24 1 25 5 -2 27 6 -1 7 28 1 8 28 1 9 14 1 10 20 1 11 12 1 11 20 2 12 22 2 13 20 1 13 21 2 25 14 -1 15 16 1 15 17 1 16 25 1 17 27 1 18 23 1 18 26 1 23 19 -2 19 28 1 21 22 1 21 23 1 22 27 1 24 28 1 25 26 1 26 27 1', 'C23H38O3S', 394.318, 'C', 'np06_563_19b', 3785, '', '', '1', 1, NULL, NULL),
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(14931, 'Isopreleoheterin', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@H:6](O)[C:7](=O)[C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@:13]1([CH:14]=[CH:15]O[CH2:16]1)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@H](O)C(=O)[C@@H](C)[C@]2(CC[C@]1(C=COC1)O2)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:50]34[C@H:76](O)[C:210](=O)[C@@H:46]([CH3:9])[C@:97]2([CH2:30][CH2:38][C@:94]1([CH:107]=[CH:148]O[CH2:81]1)O2)[C@@:43]3([CH3:20])[CH2:34][CH2:19][CH2:44][C@@:35]4([CH3:25])[CH3:33]', '25 28 H 16.26 -14.31 C:17 20.04 -11.19 C:19 14.04 -15.11 C:18 15.98 -15.11 C:20 15.64 -10.67 O 20.04 -13.98 O 17.53 -15.45 C:15 20.75 -8.48 C:14 20.04 -9.66 C:2 13.75 -11.93 C:3 13.75 -13.33 C:1 15.00 -11.19 C:12 17.39 -8.91 C:11 16.65 -10.24 C:16 18.56 -7.89 O 19.87 -7.39 O 18.80 -10.53 C:7 18.80 -13.33 C:8 18.80 -11.93 C:6 17.53 -14.06 C:4 15.00 -14.06 C:13 18.63 -9.30 C:10 16.26 -11.93 C:5 16.26 -13.33 C:9 17.53 -11.19 24 1 -2 19 2 -2 21 3 -1 21 4 -2 23 5 -1 6 18 2 20 7 -1 8 9 2 8 16 1 9 22 1 10 11 1 10 12 1 11 21 1 12 23 1 13 14 1 13 22 1 25 14 -1 15 16 1 15 22 1 22 17 -1 25 17 -2 18 19 1 18 20 1 19 25 1 20 24 1 21 24 1 23 24 1 23 25 1', '25 28 H 16.26 -14.31 C 20.04 -11.19 C 14.04 -15.11 C 15.98 -15.11 C 15.64 -10.67 O 20.04 -13.98 O 17.53 -15.45 C 20.75 -8.48 C 20.04 -9.66 C 13.75 -11.93 C 13.75 -13.33 C 15.00 -11.19 C 17.39 -8.91 C 16.65 -10.24 C 18.56 -7.89 O 19.87 -7.39 O 18.80 -10.53 C 18.80 -13.33 C 18.80 -11.93 C 17.53 -14.06 C 15.00 -14.06 C 18.63 -9.30 C 16.26 -11.93 C 16.26 -13.33 C 17.53 -11.19 24 1 -2 19 2 -2 21 3 -1 21 4 -2 23 5 -1 6 18 2 20 7 -1 8 9 2 8 16 1 9 22 1 10 11 1 10 12 1 11 21 1 12 23 1 13 14 1 13 22 1 25 14 -1 15 16 1 15 22 1 22 17 -1 25 17 -2 18 19 1 18 20 1 19 25 1 20 24 1 21 24 1 23 24 1 23 25 1', '25 28 H 16.26 -14.31 C:9 20.04 -11.19 C:25 14.04 -15.11 C:33 15.98 -15.11 C:20 15.64 -10.67 O 20.04 -13.98 O 17.53 -15.45 C:148 20.75 -8.48 C:107 20.04 -9.66 C:19 13.75 -11.93 C:44 13.75 -13.33 C:34 15.00 -11.19 C:38 17.39 -8.91 C:30 16.65 -10.24 C:81 18.56 -7.89 O 19.87 -7.39 O 18.80 -10.53 C:210 18.80 -13.33 C:46 18.80 -11.93 C:76 17.53 -14.06 C:35 15.00 -14.06 C:94 18.63 -9.30 C:43 16.26 -11.93 C:50 16.26 -13.33 C:97 17.53 -11.19 24 1 -2 19 2 -2 21 3 -1 21 4 -2 23 5 -1 6 18 2 20 7 -1 8 9 2 8 16 1 9 22 1 10 11 1 10 12 1 11 21 1 12 23 1 13 14 1 13 22 1 25 14 -1 15 16 1 15 22 1 22 17 -1 25 17 -2 18 19 1 18 20 1 19 25 1 20 24 1 21 24 1 23 24 1 23 25 1', 'C20H30O4', 334.22, 'C', 'ph06_965_6', 4305, '', '', '1', 1, NULL, NULL),
(14932, '', '13R,14R,15-trihydroxy-7-oxolabd-8-ene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C:7](=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[C@H:14](O)[CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC(=O)C(C)=C(CC[C@@](C)(O)[C@H](O)CO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:50]12[CH2:35][C:200](=O)[C:130]([CH3:11])=[C:168]([CH2:24][CH2:38][C@@:74]([CH3:22])(O)[C@H:75](O)[CH2:63]O)[C@@:41]1([CH3:18])[CH2:19][CH2:41][CH2:36][C@:33]2([CH3:33])[CH3:21]', '25 26 H 16.04 -15.75 C:17 19.74 -12.66 C:18 15.77 -16.55 C:19 13.86 -16.55 C:16 17.83 -7.90 C:20 16.04 -11.95 O 19.74 -15.51 O 20.96 -6.31 O 20.96 -9.11 O 17.12 -9.11 C:15 19.74 -7.01 C:2 13.58 -13.38 C:11 17.28 -11.23 C:3 13.58 -14.80 C:1 14.82 -12.66 C:12 18.52 -10.53 C:6 17.28 -15.51 C:8 18.52 -13.38 C:7 18.52 -14.80 C:9 17.28 -12.66 C:14 19.74 -8.40 C:4 14.82 -15.51 C:13 18.52 -9.11 C:5 16.04 -14.80 C:10 16.04 -13.38 24 1 -2 2 18 1 22 3 -2 22 4 -1 23 5 -2 25 6 -1 7 19 2 8 11 1 21 9 -1 23 10 -1 11 21 1 12 14 1 12 15 1 13 16 1 13 20 1 14 22 1 15 25 1 16 23 1 17 19 1 17 24 1 18 19 1 18 20 2 20 25 1 21 23 1 22 24 1 24 25 1', '25 26 H 16.04 -15.75 C 19.74 -12.66 C 15.77 -16.55 C 13.86 -16.55 C 17.83 -7.90 C 16.04 -11.95 O 19.74 -15.51 O 20.96 -6.31 O 20.96 -9.11 O 17.12 -9.11 C 19.74 -7.01 C 13.58 -13.38 C 17.28 -11.23 C 13.58 -14.80 C 14.82 -12.66 C 18.52 -10.53 C 17.28 -15.51 C 18.52 -13.38 C 18.52 -14.80 C 17.28 -12.66 C 19.74 -8.40 C 14.82 -15.51 C 18.52 -9.11 C 16.04 -14.80 C 16.04 -13.38 24 1 -2 2 18 1 22 3 -2 22 4 -1 23 5 -2 25 6 -1 7 19 2 8 11 1 21 9 -1 23 10 -1 11 21 1 12 14 1 12 15 1 13 16 1 13 20 1 14 22 1 15 25 1 16 23 1 17 19 1 17 24 1 18 19 1 18 20 2 20 25 1 21 23 1 22 24 1 24 25 1', '25 26 H 16.04 -15.75 C:11 19.74 -12.66 C:33 15.77 -16.55 C:21 13.86 -16.55 C:22 17.83 -7.90 C:18 16.04 -11.95 O 19.74 -15.51 O 20.96 -6.31 O 20.96 -9.11 O 17.12 -9.11 C:63 19.74 -7.01 C:41 13.58 -13.38 C:24 17.28 -11.23 C:36 13.58 -14.80 C:19 14.82 -12.66 C:38 18.52 -10.53 C:35 17.28 -15.51 C:130 18.52 -13.38 C:200 18.52 -14.80 C:168 17.28 -12.66 C:75 19.74 -8.40 C:33 14.82 -15.51 C:74 18.52 -9.11 C:50 16.04 -14.80 C:41 16.04 -13.38 24 1 -2 2 18 1 22 3 -2 22 4 -1 23 5 -2 25 6 -1 7 19 2 8 11 1 21 9 -1 23 10 -1 11 21 1 12 14 1 12 15 1 13 16 1 13 20 1 14 22 1 15 25 1 16 23 1 17 19 1 17 24 1 18 19 1 18 20 2 20 25 1 21 23 1 22 24 1 24 25 1', 'C20H34O4', 338.22, 'C', 'ph06_1455_1', 3786, '', '', '1', 1, NULL, NULL),
(14933, '', '3β,13R,14R,15-tetrahydroxylabd-7-ene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C@@H:7](O)[C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[C@H:14](O)[CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12C[C@@H](O)C(=C)[C@H](CC[C@@](C)(O)[C@H](O)CO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:48]12[CH2:31][C@@H:74](O)[C:150](=[CH2:110])[C@H:51]([CH2:17][CH2:38][C@@:75]([CH3:22])(O)[C@H:75](O)[CH2:63]O)[C@@:39]1([CH3:13])[CH2:39][CH2:19][CH2:42][C@@:33]2([CH3:21])[CH3:33]', '25 26 H 16.04 -15.75 C:17 19.74 -12.66 C:19 13.86 -16.55 C:18 15.77 -16.55 C:16 17.83 -7.90 C:20 16.04 -11.95 O 20.96 -6.31 O 19.74 -15.51 O 20.96 -9.11 O 17.12 -9.11 C:15 19.74 -7.01 C:2 13.58 -13.38 C:11 17.28 -11.23 C:3 13.58 -14.80 C:1 14.82 -12.66 C:12 18.52 -10.53 C:6 17.28 -15.51 C:8 18.52 -13.38 C:7 18.52 -14.80 C:14 19.74 -8.40 C:9 17.28 -12.66 C:4 14.82 -15.51 C:13 18.52 -9.11 C:5 16.04 -14.80 C:10 16.04 -13.38 24 1 -2 2 18 2 22 3 -1 22 4 -2 23 5 -2 25 6 -1 7 11 1 19 8 -2 20 9 -1 23 10 -1 11 20 1 12 14 1 12 15 1 13 16 1 21 13 -1 14 22 1 15 25 1 16 23 1 17 19 1 17 24 1 18 19 1 18 21 1 20 23 1 21 25 1 22 24 1 24 25 1', '25 26 H 16.04 -15.75 C 19.74 -12.66 C 13.86 -16.55 C 15.77 -16.55 C 17.83 -7.90 C 16.04 -11.95 O 20.96 -6.31 O 19.74 -15.51 O 20.96 -9.11 O 17.12 -9.11 C 19.74 -7.01 C 13.58 -13.38 C 17.28 -11.23 C 13.58 -14.80 C 14.82 -12.66 C 18.52 -10.53 C 17.28 -15.51 C 18.52 -13.38 C 18.52 -14.80 C 19.74 -8.40 C 17.28 -12.66 C 14.82 -15.51 C 18.52 -9.11 C 16.04 -14.80 C 16.04 -13.38 24 1 -2 2 18 2 22 3 -1 22 4 -2 23 5 -2 25 6 -1 7 11 1 19 8 -2 20 9 -1 23 10 -1 11 20 1 12 14 1 12 15 1 13 16 1 21 13 -1 14 22 1 15 25 1 16 23 1 17 19 1 17 24 1 18 19 1 18 21 1 20 23 1 21 25 1 22 24 1 24 25 1', '25 26 H 16.04 -15.75 C:110 19.74 -12.66 C:21 13.86 -16.55 C:33 15.77 -16.55 C:22 17.83 -7.90 C:13 16.04 -11.95 O 20.96 -6.31 O 19.74 -15.51 O 20.96 -9.11 O 17.12 -9.11 C:63 19.74 -7.01 C:19 13.58 -13.38 C:17 17.28 -11.23 C:42 13.58 -14.80 C:39 14.82 -12.66 C:38 18.52 -10.53 C:31 17.28 -15.51 C:150 18.52 -13.38 C:74 18.52 -14.80 C:75 19.74 -8.40 C:51 17.28 -12.66 C:33 14.82 -15.51 C:75 18.52 -9.11 C:48 16.04 -14.80 C:39 16.04 -13.38 24 1 -2 2 18 2 22 3 -1 22 4 -2 23 5 -2 25 6 -1 7 11 1 19 8 -2 20 9 -1 23 10 -1 11 20 1 12 14 1 12 15 1 13 16 1 21 13 -1 14 22 1 15 25 1 16 23 1 17 19 1 17 24 1 18 19 1 18 21 1 20 23 1 21 25 1 22 24 1 24 25 1', 'C20H36O4', 340.22, 'C', 'ph06_1455_2', 3786, 'Chemcal shift assigned to compound 3 of the paper.', '', '1', 1, NULL, NULL),
(14934, '', '7α,13R,14R,15-tetrahydroxylabd-8(17)-ene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH3:17])[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[C@H:14](O)[CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC=C(C)[C@H](CC[C@@](C)(O)[C@H](O)CO)[C@@]1(C)CC[C@H](O)[C@]2(C)C', '[H][C@@:50]12[CH2:21][CH:122]=[C:135]([CH3:22])[C@H:55]([CH2:23][CH2:42][C@@:75]([CH3:22])(O)[C@H:75](O)[CH2:64]O)[C@@:37]1([CH3:14])[CH2:37][CH2:27][C@H:79](O)[C@:39]2([CH3:28])[CH3:15]', '25 26 H 16.61 -15.76 C:17 20.32 -12.67 C:16 18.40 -7.91 C:18 16.34 -16.56 C:19 14.43 -16.56 C:20 16.61 -11.96 O 19.09 -6.31 O 21.54 -9.12 O 12.94 -15.51 O 17.69 -9.12 C:7 19.09 -14.81 C:15 20.32 -7.02 C:6 17.85 -15.51 C:2 14.15 -13.39 C:11 17.85 -11.24 C:12 19.09 -10.54 C:1 15.39 -12.67 C:8 19.09 -13.39 C:14 20.32 -8.41 C:3 14.15 -14.81 C:9 17.85 -12.67 C:13 19.09 -9.12 C:4 15.39 -15.51 C:5 16.61 -14.81 C:10 16.61 -13.39 24 1 -2 2 18 1 22 3 -2 23 4 -2 23 5 -1 25 6 -1 7 12 1 19 8 -1 20 9 -1 22 10 -1 11 13 1 11 18 2 12 19 1 13 24 1 14 17 1 14 20 1 15 16 1 21 15 -1 16 22 1 17 25 1 18 21 1 19 22 1 20 23 1 21 25 1 23 24 1 24 25 1', '25 26 H 16.61 -15.76 C 20.32 -12.67 C 18.40 -7.91 C 16.34 -16.56 C 14.43 -16.56 C 16.61 -11.96 O 19.09 -6.31 O 21.54 -9.12 O 12.94 -15.51 O 17.69 -9.12 C 19.09 -14.81 C 20.32 -7.02 C 17.85 -15.51 C 14.15 -13.39 C 17.85 -11.24 C 19.09 -10.54 C 15.39 -12.67 C 19.09 -13.39 C 20.32 -8.41 C 14.15 -14.81 C 17.85 -12.67 C 19.09 -9.12 C 15.39 -15.51 C 16.61 -14.81 C 16.61 -13.39 24 1 -2 2 18 1 22 3 -2 23 4 -2 23 5 -1 25 6 -1 7 12 1 19 8 -1 20 9 -1 22 10 -1 11 13 1 11 18 2 12 19 1 13 24 1 14 17 1 14 20 1 15 16 1 21 15 -1 16 22 1 17 25 1 18 21 1 19 22 1 20 23 1 21 25 1 23 24 1 24 25 1', '25 26 H 16.61 -15.76 C:22 20.32 -12.67 C:22 18.40 -7.91 C:28 16.34 -16.56 C:15 14.43 -16.56 C:14 16.61 -11.96 O 19.09 -6.31 O 21.54 -9.12 O 12.94 -15.51 O 17.69 -9.12 C:122 19.09 -14.81 C:64 20.32 -7.02 C:21 17.85 -15.51 C:27 14.15 -13.39 C:23 17.85 -11.24 C:42 19.09 -10.54 C:37 15.39 -12.67 C:135 19.09 -13.39 C:75 20.32 -8.41 C:79 14.15 -14.81 C:55 17.85 -12.67 C:75 19.09 -9.12 C:39 15.39 -15.51 C:50 16.61 -14.81 C:37 16.61 -13.39 24 1 -2 2 18 1 22 3 -2 23 4 -2 23 5 -1 25 6 -1 7 12 1 19 8 -1 20 9 -1 22 10 -1 11 13 1 11 18 2 12 19 1 13 24 1 14 17 1 14 20 1 15 16 1 21 15 -1 16 22 1 17 25 1 18 21 1 19 22 1 20 23 1 21 25 1 23 24 1 24 25 1', 'C20H36O4', 340.22, 'C', 'ph06_1455_3', 3786, 'Chemcal shift assigned to compound 2 of the paper.', '', '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
(14935, '', '3R,14R,15-trihydroxy-3-oxolabd-8(17)-ene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[C@H:14](O)[CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(=C)[C@H](CC[C@@](C)(O)[C@H](O)CO)[C@@]1(C)CCC(=O)[C@@]2(C)C', '[H][C@@:55]12[CH2:25][CH2:38][C:148](=[CH2:108])[C@H:57]([CH2:18][CH2:38][C@@:74]([CH3:24])(O)[C@H:78](O)[CH2:64]O)[C@@:40]1([CH3:14])[CH2:38][CH2:35][C:216](=O)[C@@:48]2([CH3:22])[CH3:26]', '25 26 H 16.61 -15.76 C:17 20.32 -12.67 C:19 14.43 -16.56 C:18 16.34 -16.56 C:16 18.40 -7.91 C:20 16.61 -11.96 O 12.94 -15.51 O 19.09 -6.31 O 21.54 -9.12 O 17.69 -9.12 C:15 20.32 -7.02 C:7 19.09 -14.81 C:2 14.15 -13.39 C:11 17.85 -11.24 C:6 17.85 -15.51 C:1 15.39 -12.67 C:12 19.09 -10.54 C:8 19.09 -13.39 C:3 14.15 -14.81 C:14 20.32 -8.41 C:9 17.85 -12.67 C:4 15.39 -15.51 C:13 19.09 -9.12 C:5 16.61 -14.81 C:10 16.61 -13.39 24 1 -2 2 18 2 22 3 -1 22 4 -2 23 5 -2 25 6 -1 7 19 2 8 11 1 20 9 -1 23 10 -1 11 20 1 12 15 1 12 18 1 13 16 1 13 19 1 14 17 1 21 14 -1 15 24 1 16 25 1 17 23 1 18 21 1 19 22 1 20 23 1 21 25 1 22 24 1 24 25 1', '25 26 H 16.61 -15.76 C 20.32 -12.67 C 14.43 -16.56 C 16.34 -16.56 C 18.40 -7.91 C 16.61 -11.96 O 12.94 -15.51 O 19.09 -6.31 O 21.54 -9.12 O 17.69 -9.12 C 20.32 -7.02 C 19.09 -14.81 C 14.15 -13.39 C 17.85 -11.24 C 17.85 -15.51 C 15.39 -12.67 C 19.09 -10.54 C 19.09 -13.39 C 14.15 -14.81 C 20.32 -8.41 C 17.85 -12.67 C 15.39 -15.51 C 19.09 -9.12 C 16.61 -14.81 C 16.61 -13.39 24 1 -2 2 18 2 22 3 -1 22 4 -2 23 5 -2 25 6 -1 7 19 2 8 11 1 20 9 -1 23 10 -1 11 20 1 12 15 1 12 18 1 13 16 1 13 19 1 14 17 1 21 14 -1 15 24 1 16 25 1 17 23 1 18 21 1 19 22 1 20 23 1 21 25 1 22 24 1 24 25 1', '25 26 H 16.61 -15.76 C:108 20.32 -12.67 C:22 14.43 -16.56 C:26 16.34 -16.56 C:24 18.40 -7.91 C:14 16.61 -11.96 O 12.94 -15.51 O 19.09 -6.31 O 21.54 -9.12 O 17.69 -9.12 C:64 20.32 -7.02 C:38 19.09 -14.81 C:35 14.15 -13.39 C:18 17.85 -11.24 C:25 17.85 -15.51 C:38 15.39 -12.67 C:38 19.09 -10.54 C:148 19.09 -13.39 C:216 14.15 -14.81 C:78 20.32 -8.41 C:57 17.85 -12.67 C:48 15.39 -15.51 C:74 19.09 -9.12 C:55 16.61 -14.81 C:40 16.61 -13.39 24 1 -2 2 18 2 22 3 -1 22 4 -2 23 5 -2 25 6 -1 7 19 2 8 11 1 20 9 -1 23 10 -1 11 20 1 12 15 1 12 18 1 13 16 1 13 19 1 14 17 1 21 14 -1 15 24 1 16 25 1 17 23 1 18 21 1 19 22 1 20 23 1 21 25 1 22 24 1 24 25 1', 'C20H34O4', 338.22, 'P', 'ph06_1455_4', 3786, '', '', '1', 1, NULL, NULL),
(14936, '', 'ent-6α-Acetoxy-18-hydroxy-13-epi-manoyl oxide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@@H:6](O)[C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C=C)O[C@@]1(C)C[C@@H](O)[C@]3([H])[C@@](C)(COC(C)=O)CCC[C@@]23C', '[H][C@@:58]12[CH2:16][CH2:35][C@:75]([CH3:33])([CH:147]=[CH2:110])O[C@@:74]1([CH3:25])[CH2:54][C@@H:68](O)[C@:55]3([H])[C@@:37]([CH3:18])([CH2:75]O[C:172]([CH3:21])=O)[CH2:37][CH2:18][CH2:39][C@@:37]23[CH3:18]', '28 30 H 16.63 -10.03 H 15.37 -12.13 C:15 21.56 -7.57 C:18002 15.18 -16.66 C:16 19.08 -6.14 C:19 13.17 -12.94 C:17 17.85 -8.28 C:20 15.37 -8.28 O 16.99 -15.03 O 16.63 -13.28 C:14 20.32 -6.85 C:2 12.89 -9.74 C:3 12.89 -11.18 C:12 17.85 -6.85 C:11 16.63 -7.57 C:1 14.12 -9.00 C:18 15.09 -12.94 C:7 17.85 -11.18 O 14.67 -14.28 O 19.08 -9.00 C:18001 15.61 -15.32 C:6 16.63 -11.89 C:13 19.08 -7.57 C:9 16.63 -9.00 C:4 14.12 -11.89 C:8 17.85 -9.74 C:5 15.37 -11.18 C:10 15.37 -9.74 24 1 -1 27 2 -1 3 11 2 4 21 1 23 5 -1 25 6 -2 26 7 -2 28 8 -2 9 21 2 22 10 -1 23 11 -2 12 13 1 12 16 1 13 25 1 14 15 1 14 23 1 15 24 1 16 28 1 17 19 1 25 17 -1 18 22 1 18 26 1 19 21 1 20 23 1 20 26 1 22 27 1 24 26 1 24 28 1 25 27 1 27 28 1', '28 30 H 16.63 -10.03 H 15.37 -12.13 C 21.56 -7.57 C 15.18 -16.66 C 19.08 -6.14 C 13.17 -12.94 C 17.85 -8.28 C 15.37 -8.28 O 16.99 -15.03 O 16.63 -13.28 C 20.32 -6.85 C 12.89 -9.74 C 12.89 -11.18 C 17.85 -6.85 C 16.63 -7.57 C 14.12 -9.00 C 15.09 -12.94 C 17.85 -11.18 O 14.67 -14.28 O 19.08 -9.00 C 15.61 -15.32 C 16.63 -11.89 C 19.08 -7.57 C 16.63 -9.00 C 14.12 -11.89 C 17.85 -9.74 C 15.37 -11.18 C 15.37 -9.74 24 1 -1 27 2 -1 3 11 2 4 21 1 23 5 -1 25 6 -2 26 7 -2 28 8 -2 9 21 2 22 10 -1 23 11 -2 12 13 1 12 16 1 13 25 1 14 15 1 14 23 1 15 24 1 16 28 1 17 19 1 25 17 -1 18 22 1 18 26 1 19 21 1 20 23 1 20 26 1 22 27 1 24 26 1 24 28 1 25 27 1 27 28 1', '28 30 H 16.63 -10.03 H 15.37 -12.13 C:110 21.56 -7.57 C:21 15.18 -16.66 C:33 19.08 -6.14 C:18 13.17 -12.94 C:25 17.85 -8.28 C:18 15.37 -8.28 O 16.99 -15.03 O 16.63 -13.28 C:147 20.32 -6.85 C:18 12.89 -9.74 C:37 12.89 -11.18 C:35 17.85 -6.85 C:16 16.63 -7.57 C:39 14.12 -9.00 C:75 15.09 -12.94 C:54 17.85 -11.18 O 14.67 -14.28 O 19.08 -9.00 C:172 15.61 -15.32 C:68 16.63 -11.89 C:75 19.08 -7.57 C:58 16.63 -9.00 C:37 14.12 -11.89 C:74 17.85 -9.74 C:55 15.37 -11.18 C:37 15.37 -9.74 24 1 -1 27 2 -1 3 11 2 4 21 1 23 5 -1 25 6 -2 26 7 -2 28 8 -2 9 21 2 22 10 -1 23 11 -2 12 13 1 12 16 1 13 25 1 14 15 1 14 23 1 15 24 1 16 28 1 17 19 1 25 17 -1 18 22 1 18 26 1 19 21 1 20 23 1 20 26 1 22 27 1 24 26 1 24 28 1 25 27 1 27 28 1', 'C22H36O4', 364.249, 'C', 'ph06_2294_7', 3787, '', '', '1', 1, NULL, NULL),
(14937, '', 'ent-18-Acetoxy-6α-hydroxymanoyl oxide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C=C)O[C@@]1(C)C[C@@H](OC(C)=O)[C@]3([H])[C@@](C)(CO)CCC[C@@]23C', '[H][C@@:58]12[CH2:16][CH2:35][C@:71]([CH3:33])([CH:147]=[CH2:110])O[C@@:74]1([CH3:25])[CH2:49][C@@H:74](O[C:169]([CH3:22])=O)[C@:51]3([H])[C@@:38]([CH3:18])([CH2:75]O)[CH2:38][CH2:18][CH2:39][C@@:38]23[CH3:17]', '28 30 H 16.64 -10.71 H 15.39 -12.82 C:15 21.56 -8.25 C:6002 17.87 -16.07 C:16 19.07 -6.82 C:19 13.19 -13.63 C:17 17.87 -8.96 C:20 15.39 -8.96 O 19.07 -13.97 O 14.69 -14.97 C:14 20.32 -7.53 C:2 12.91 -10.42 C:18 15.11 -13.63 C:3 12.91 -11.86 C:1 14.14 -9.68 C:12 17.87 -7.53 C:11 16.64 -8.25 C:7 17.87 -11.86 O 16.64 -13.97 O 19.08 -9.68 C:6001 17.87 -14.67 C:6 16.64 -12.58 C:13 19.07 -8.25 C:9 16.64 -9.68 C:4 14.14 -12.58 C:8 17.87 -10.42 C:5 15.39 -11.86 C:10 15.39 -10.42 24 1 -1 27 2 -1 3 11 2 4 21 1 23 5 -1 25 6 -2 26 7 -2 28 8 -2 9 21 2 10 13 1 23 11 -2 12 14 1 12 15 1 25 13 -1 14 25 1 15 28 1 16 17 1 16 23 1 17 24 1 18 22 1 18 26 1 19 21 1 22 19 -1 20 23 1 20 26 1 22 27 1 24 26 1 24 28 1 25 27 1 27 28 1', '28 30 H 16.64 -10.71 H 15.39 -12.82 C 21.56 -8.25 C 17.87 -16.07 C 19.07 -6.82 C 13.19 -13.63 C 17.87 -8.96 C 15.39 -8.96 O 19.07 -13.97 O 14.69 -14.97 C 20.32 -7.53 C 12.91 -10.42 C 15.11 -13.63 C 12.91 -11.86 C 14.14 -9.68 C 17.87 -7.53 C 16.64 -8.25 C 17.87 -11.86 O 16.64 -13.97 O 19.08 -9.68 C 17.87 -14.67 C 16.64 -12.58 C 19.07 -8.25 C 16.64 -9.68 C 14.14 -12.58 C 17.87 -10.42 C 15.39 -11.86 C 15.39 -10.42 24 1 -1 27 2 -1 3 11 2 4 21 1 23 5 -1 25 6 -2 26 7 -2 28 8 -2 9 21 2 10 13 1 23 11 -2 12 14 1 12 15 1 25 13 -1 14 25 1 15 28 1 16 17 1 16 23 1 17 24 1 18 22 1 18 26 1 19 21 1 22 19 -1 20 23 1 20 26 1 22 27 1 24 26 1 24 28 1 25 27 1 27 28 1', '28 30 H 16.64 -10.71 H 15.39 -12.82 C:110 21.56 -8.25 C:22 17.87 -16.07 C:33 19.07 -6.82 C:18 13.19 -13.63 C:25 17.87 -8.96 C:17 15.39 -8.96 O 19.07 -13.97 O 14.69 -14.97 C:147 20.32 -7.53 C:18 12.91 -10.42 C:75 15.11 -13.63 C:38 12.91 -11.86 C:39 14.14 -9.68 C:35 17.87 -7.53 C:16 16.64 -8.25 C:49 17.87 -11.86 O 16.64 -13.97 O 19.08 -9.68 C:169 17.87 -14.67 C:74 16.64 -12.58 C:71 19.07 -8.25 C:58 16.64 -9.68 C:38 14.14 -12.58 C:74 17.87 -10.42 C:51 15.39 -11.86 C:38 15.39 -10.42 24 1 -1 27 2 -1 3 11 2 4 21 1 23 5 -1 25 6 -2 26 7 -2 28 8 -2 9 21 2 10 13 1 23 11 -2 12 14 1 12 15 1 25 13 -1 14 25 1 15 28 1 16 17 1 16 23 1 17 24 1 18 22 1 18 26 1 19 21 1 22 19 -1 20 23 1 20 26 1 22 27 1 24 26 1 24 28 1 25 27 1 27 28 1', 'C22H36O4', 364.249, 'C', 'ph06_2294_9', 3787, '', '', '1', 1, NULL, NULL),
(14938, '', 'ent-18-Hydroxy-6-oxo-13-epi-manoyl oxide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C:6](=O)[C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C=C)O[C@@]1(C)CC(=O)[C@]3([H])[C@@](C)(CO)CCC[C@@]23C', '[H][C@@:59]12[CH2:17][CH2:35][C@:74]([CH3:33])([CH:147]=[CH2:110])O[C@@:78]1([CH3:25])[CH2:60][C:211](=O)[C@:62]3([H])[C@@:37]([CH3:18])([CH2:72]O)[CH2:36][CH2:18][CH2:40][C@@:40]23[CH3:17]', '25 27 H 16.64 -11.22 H 15.39 -13.33 C:15 21.57 -8.76 C:16 19.08 -7.33 C:19 13.19 -14.14 C:17 17.87 -9.47 C:20 15.39 -9.47 O 16.64 -14.48 O 14.69 -15.48 C:14 20.32 -8.04 C:2 12.91 -10.93 C:18 15.11 -14.14 C:3 12.91 -12.37 C:12 17.87 -8.04 C:11 16.64 -8.76 C:1 14.14 -10.19 C:7 17.87 -12.37 O 19.08 -10.19 C:6 16.64 -13.09 C:13 19.08 -8.76 C:9 16.64 -10.19 C:5 15.39 -12.37 C:4 14.14 -13.09 C:8 17.87 -10.93 C:10 15.39 -10.93 21 1 -1 22 2 -1 3 10 2 20 4 -1 23 5 -2 24 6 -2 25 7 -2 8 19 2 9 12 1 20 10 -2 11 13 1 11 16 1 23 12 -1 13 23 1 14 15 1 14 20 1 15 21 1 16 25 1 17 19 1 17 24 1 18 20 1 18 24 1 19 22 1 21 24 1 21 25 1 22 23 1 22 25 1', '25 27 H 16.64 -11.22 H 15.39 -13.33 C 21.57 -8.76 C 19.08 -7.33 C 13.19 -14.14 C 17.87 -9.47 C 15.39 -9.47 O 16.64 -14.48 O 14.69 -15.48 C 20.32 -8.04 C 12.91 -10.93 C 15.11 -14.14 C 12.91 -12.37 C 17.87 -8.04 C 16.64 -8.76 C 14.14 -10.19 C 17.87 -12.37 O 19.08 -10.19 C 16.64 -13.09 C 19.08 -8.76 C 16.64 -10.19 C 15.39 -12.37 C 14.14 -13.09 C 17.87 -10.93 C 15.39 -10.93 21 1 -1 22 2 -1 3 10 2 20 4 -1 23 5 -2 24 6 -2 25 7 -2 8 19 2 9 12 1 20 10 -2 11 13 1 11 16 1 23 12 -1 13 23 1 14 15 1 14 20 1 15 21 1 16 25 1 17 19 1 17 24 1 18 20 1 18 24 1 19 22 1 21 24 1 21 25 1 22 23 1 22 25 1', '25 27 H 16.64 -11.22 H 15.39 -13.33 C:110 21.57 -8.76 C:33 19.08 -7.33 C:18 13.19 -14.14 C:25 17.87 -9.47 C:17 15.39 -9.47 O 16.64 -14.48 O 14.69 -15.48 C:147 20.32 -8.04 C:18 12.91 -10.93 C:72 15.11 -14.14 C:36 12.91 -12.37 C:35 17.87 -8.04 C:17 16.64 -8.76 C:40 14.14 -10.19 C:60 17.87 -12.37 O 19.08 -10.19 C:211 16.64 -13.09 C:74 19.08 -8.76 C:59 16.64 -10.19 C:62 15.39 -12.37 C:37 14.14 -13.09 C:78 17.87 -10.93 C:40 15.39 -10.93 21 1 -1 22 2 -1 3 10 2 20 4 -1 23 5 -2 24 6 -2 25 7 -2 8 19 2 9 12 1 20 10 -2 11 13 1 11 16 1 23 12 -1 13 23 1 14 15 1 14 20 1 15 21 1 16 25 1 17 19 1 17 24 1 18 20 1 18 24 1 19 22 1 21 24 1 21 25 1 22 23 1 22 25 1', 'C20H32O3', 320.228, 'C', 'ph06_2294_13', 3787, '', '', '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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(14970, 'Inumakiol E', '', 'Terpenoids', 'Diterpenoids', 'Totaranes', '[H][C@@:5]23[CH2:6][C@@H:7](O[CH3:7001])[c:8]1[c:9]([cH:11][cH:12][c:13](O)[c:14]1[CH:15]([CH3:16])[CH3:17])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O', '[H][C@@]23C[C@@H](OC)c1c(ccc(O)c1C(C)C)[C@@]2(C)CCC[C@]3(C)C(=O)O', '[H][C@@:46]23[CH2:25][C@@H:75](O[CH3:55])[c:134]1[c:141]([cH:124][cH:118][c:156](O)[c:134]1[CH:29]([CH3:21])[CH3:21])[C@@:39]2([CH3:23])[CH2:41][CH2:21][CH2:38][C@:44]3([CH3:29])[C:182](=O)O', '26 28 H 15.98 -13.02 C:7001 19.67 -14.12 C:16 22.11 -9.88 C:17 20.90 -12.00 C:18 15.72 -13.76 C:20 15.98 -9.17 O 12.38 -13.25 O 14.02 -15.03 O 20.90 -7.77 C:12 18.45 -7.77 C:11 17.23 -8.45 C:2 13.53 -10.60 C:3 13.53 -12.00 C:1 14.75 -9.88 C:6 17.23 -12.72 O 19.67 -12.72 C:19 13.72 -13.67 C:13 19.67 -8.45 C:9 17.23 -9.88 C:14 19.67 -9.88 C:8 18.45 -10.60 C:15 20.90 -10.60 C:7 18.45 -12.00 C:4 14.75 -12.72 C:5 15.98 -12.00 C:10 15.98 -10.60 25 1 -2 2 16 1 3 22 1 4 22 1 24 5 -2 26 6 -1 7 17 2 8 17 1 9 18 1 10 11 2 10 18 1 11 19 1 12 13 1 12 14 1 13 24 1 14 26 1 15 23 1 15 25 1 23 16 -2 24 17 -1 18 20 2 19 21 2 19 26 1 20 21 1 20 22 1 21 23 1 24 25 1 25 26 1', '26 28 H 15.98 -13.02 C 19.67 -14.12 C 22.11 -9.88 C 20.90 -12.00 C 15.72 -13.76 C 15.98 -9.17 O 12.38 -13.25 O 14.02 -15.03 O 20.90 -7.77 C 18.45 -7.77 C 17.23 -8.45 C 13.53 -10.60 C 13.53 -12.00 C 14.75 -9.88 C 17.23 -12.72 O 19.67 -12.72 C 13.72 -13.67 C 19.67 -8.45 C 17.23 -9.88 C 19.67 -9.88 C 18.45 -10.60 C 20.90 -10.60 C 18.45 -12.00 C 14.75 -12.72 C 15.98 -12.00 C 15.98 -10.60 25 1 -2 2 16 1 3 22 1 4 22 1 24 5 -2 26 6 -1 7 17 2 8 17 1 9 18 1 10 11 2 10 18 1 11 19 1 12 13 1 12 14 1 13 24 1 14 26 1 15 23 1 15 25 1 23 16 -2 24 17 -1 18 20 2 19 21 2 19 26 1 20 21 1 20 22 1 21 23 1 24 25 1 25 26 1', '26 28 H 15.98 -13.02 C:55 19.67 -14.12 C:21 22.11 -9.88 C:21 20.90 -12.00 C:29 15.72 -13.76 C:23 15.98 -9.17 O 12.38 -13.25 O 14.02 -15.03 O 20.90 -7.77 C:118 18.45 -7.77 C:124 17.23 -8.45 C:21 13.53 -10.60 C:38 13.53 -12.00 C:41 14.75 -9.88 C:25 17.23 -12.72 O 19.67 -12.72 C:182 13.72 -13.67 C:156 19.67 -8.45 C:141 17.23 -9.88 C:134 19.67 -9.88 C:134 18.45 -10.60 C:29 20.90 -10.60 C:75 18.45 -12.00 C:44 14.75 -12.72 C:46 15.98 -12.00 C:39 15.98 -10.60 25 1 -2 2 16 1 3 22 1 4 22 1 24 5 -2 26 6 -1 7 17 2 8 17 1 9 18 1 10 11 2 10 18 1 11 19 1 12 13 1 12 14 1 13 24 1 14 26 1 15 23 1 15 25 1 23 16 -2 24 17 -1 18 20 2 19 21 2 19 26 1 20 21 1 20 22 1 21 23 1 24 25 1 25 26 1', 'C21H30O4', 346.23, 'P', 'cpb08_1691_5', 3791, '', '', '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
(14971, 'Inumakiol F', '', 'Terpenoids', 'Diterpenoids', 'Totaranes', '[H][C@@:5]23[CH:6]=[CH:7][c:8]1[c:9]([cH:11][cH:12][c:13](O)[c:14]1[CH:15]([CH3:17])[CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O', '[H][C@@]23C=Cc1c(ccc(O)c1C(C)C)[C@@]2(C)CCC[C@]3(C)C(=O)O', '[H][C@@:51]23[CH:122]=[CH:123][c:132]1[c:139]([cH:132][cH:116][c:156](O)[c:130]1[CH:29]([CH3:22])[CH3:22])[C@@:39]2([CH3:21])[CH2:37][CH2:21][CH2:38][C@:43]3([CH3:29])[C:180](=O)O', '24 26 H 15.99 -13.03 C:17 20.91 -12.01 C:16 22.12 -9.89 C:18 15.73 -13.77 C:20 15.99 -9.17 O 12.39 -13.26 O 14.03 -15.04 O 20.91 -7.77 C:7 18.46 -12.01 C:6 17.24 -12.73 C:12 18.46 -7.77 C:11 17.24 -8.45 C:2 13.54 -10.61 C:3 13.54 -12.01 C:1 14.76 -9.89 C:19 13.73 -13.68 C:13 19.68 -8.45 C:8 18.46 -10.61 C:9 17.24 -9.89 C:14 19.68 -9.89 C:15 20.91 -10.61 C:5 15.99 -12.01 C:4 14.76 -12.73 C:10 15.99 -10.61 22 1 -2 2 21 1 3 21 1 23 4 -2 24 5 -1 6 16 2 7 16 1 8 17 1 9 10 2 9 18 1 10 22 1 11 12 2 11 17 1 12 19 1 13 14 1 13 15 1 14 23 1 15 24 1 23 16 -1 17 20 2 18 19 2 18 20 1 19 24 1 20 21 1 22 23 1 22 24 1', '24 26 H 15.99 -13.03 C 20.91 -12.01 C 22.12 -9.89 C 15.73 -13.77 C 15.99 -9.17 O 12.39 -13.26 O 14.03 -15.04 O 20.91 -7.77 C 18.46 -12.01 C 17.24 -12.73 C 18.46 -7.77 C 17.24 -8.45 C 13.54 -10.61 C 13.54 -12.01 C 14.76 -9.89 C 13.73 -13.68 C 19.68 -8.45 C 18.46 -10.61 C 17.24 -9.89 C 19.68 -9.89 C 20.91 -10.61 C 15.99 -12.01 C 14.76 -12.73 C 15.99 -10.61 22 1 -2 2 21 1 3 21 1 23 4 -2 24 5 -1 6 16 2 7 16 1 8 17 1 9 10 2 9 18 1 10 22 1 11 12 2 11 17 1 12 19 1 13 14 1 13 15 1 14 23 1 15 24 1 23 16 -1 17 20 2 18 19 2 18 20 1 19 24 1 20 21 1 22 23 1 22 24 1', '24 26 H 15.99 -13.03 C:22 20.91 -12.01 C:22 22.12 -9.89 C:29 15.73 -13.77 C:21 15.99 -9.17 O 12.39 -13.26 O 14.03 -15.04 O 20.91 -7.77 C:123 18.46 -12.01 C:122 17.24 -12.73 C:116 18.46 -7.77 C:132 17.24 -8.45 C:21 13.54 -10.61 C:38 13.54 -12.01 C:37 14.76 -9.89 C:180 13.73 -13.68 C:156 19.68 -8.45 C:132 18.46 -10.61 C:139 17.24 -9.89 C:130 19.68 -9.89 C:29 20.91 -10.61 C:51 15.99 -12.01 C:43 14.76 -12.73 C:39 15.99 -10.61 22 1 -2 2 21 1 3 21 1 23 4 -2 24 5 -1 6 16 2 7 16 1 8 17 1 9 10 2 9 18 1 10 22 1 11 12 2 11 17 1 12 19 1 13 14 1 13 15 1 14 23 1 15 24 1 23 16 -1 17 20 2 18 19 2 18 20 1 19 24 1 20 21 1 22 23 1 22 24 1', 'C20H26O3', 314.22, 'P', 'cpb08_1691_6', 3791, '', '', '1', 1, NULL, NULL),
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(14987, '', 'Capnellene-8β,10α,13-triol', 'Terpenoids', 'Sesquiterpenoids', 'Capnellanes', '[H][C@@:6]13[CH2:7][C@H:8](O)[C:9](=[CH2:12])[C@:10]1(O)[C@@:11]2([H])[C@@:1]([CH3:14])([CH3:15])[CH2:2][CH2:3][C@@:4]2([CH2:13]O)[CH2:5]3', '[H][C@@]13C[C@H](O)C(=C)[C@]1(O)[C@@]2([H])[C@@](C)(C)CC[C@@]2(CO)C3', '[H][C@@:50]13[CH2:38][C@H:74](O)[C:164](=[CH2:112])[C@:91]1(O)[C@@:63]2([H])[C@@:45]([CH3:31])([CH3:24])[CH2:44][CH2:38][C@@:56]2([CH2:71]O)[CH2:42]3', '20 22 H 18.04 -13.19 H 16.13 -10.13 C:12 18.51 -8.68 C:14 15.66 -9.07 C:15 13.93 -8.87 O 13.65 -14.15 O 21.01 -10.57 O 16.92 -9.68 C:13 15.00 -13.80 C:2 13.51 -11.01 C:3 13.93 -12.40 C:7 19.25 -12.40 C:5 16.60 -13.27 C:9 18.51 -10.13 C:8 19.71 -11.01 C:6 17.78 -12.40 C:1 14.67 -10.13 C:11 15.91 -11.01 C:4 15.45 -12.40 C:10 17.34 -11.01 16 1 -2 18 2 -1 3 14 2 17 4 -1 17 5 -2 6 9 1 15 7 -1 20 8 -2 19 9 -1 10 11 1 10 17 1 11 19 1 12 15 1 12 16 1 13 16 1 13 19 1 14 15 1 14 20 1 16 20 1 17 18 1 18 19 1 18 20 1', '20 22 H 18.04 -13.19 H 16.13 -10.13 C 18.51 -8.68 C 15.66 -9.07 C 13.93 -8.87 O 13.65 -14.15 O 21.01 -10.57 O 16.92 -9.68 C 15.00 -13.80 C 13.51 -11.01 C 13.93 -12.40 C 19.25 -12.40 C 16.60 -13.27 C 18.51 -10.13 C 19.71 -11.01 C 17.78 -12.40 C 14.67 -10.13 C 15.91 -11.01 C 15.45 -12.40 C 17.34 -11.01 16 1 -2 18 2 -1 3 14 2 17 4 -1 17 5 -2 6 9 1 15 7 -1 20 8 -2 19 9 -1 10 11 1 10 17 1 11 19 1 12 15 1 12 16 1 13 16 1 13 19 1 14 15 1 14 20 1 16 20 1 17 18 1 18 19 1 18 20 1', '20 22 H 18.04 -13.19 H 16.13 -10.13 C:112 18.51 -8.68 C:31 15.66 -9.07 C:24 13.93 -8.87 O 13.65 -14.15 O 21.01 -10.57 O 16.92 -9.68 C:71 15.00 -13.80 C:44 13.51 -11.01 C:38 13.93 -12.40 C:38 19.25 -12.40 C:42 16.60 -13.27 C:164 18.51 -10.13 C:74 19.71 -11.01 C:50 17.78 -12.40 C:45 14.67 -10.13 C:63 15.91 -11.01 C:56 15.45 -12.40 C:91 17.34 -11.01 16 1 -2 18 2 -1 3 14 2 17 4 -1 17 5 -2 6 9 1 15 7 -1 20 8 -2 19 9 -1 10 11 1 10 17 1 11 19 1 12 15 1 12 16 1 13 16 1 13 19 1 14 15 1 14 20 1 16 20 1 17 18 1 18 19 1 18 20 1', 'C15H24O3', 252.175, 'C', 'np08_619_5', 3796, '', '', '1', 1, NULL, NULL),
(14988, '', 'Capnellene-12-ol-8-one', 'Terpenoids', 'Sesquiterpenoids', 'Capnellanes', '[H][C@@:6]13[CH2:7][C:8](=O)[C:9]([CH2:12]O)=[C:10]1[C@@:11]2([H])[C@@:1]([CH3:14])([CH3:15])[CH2:2][CH2:3][C@@:4]2([CH3:13])[CH2:5]3', '[H][C@@]13CC(=O)C(CO)=C1[C@@]2([H])[C@@](C)(C)CC[C@@]2(C)C3', '[H][C@@:44]13[CH2:42][C:211](=O)[C:136]([CH2:57]O)=[C:187]1[C@@:62]2([H])[C@@:45]([CH3:31])([CH3:26])[CH2:42][CH2:40][C@@:55]2([CH3:30])[CH2:46]3', '19 21 H 17.99 -13.71 H 16.19 -10.56 C:14 15.62 -9.62 C:15 13.90 -9.42 C:13 14.97 -14.34 O 20.96 -11.10 O 19.65 -8.56 C:12 18.47 -9.24 C:2 13.49 -11.55 C:3 13.90 -12.94 C:7 19.20 -12.92 C:5 16.55 -13.80 C:8 19.65 -11.54 C:9 18.47 -10.68 C:10 17.28 -11.55 C:1 14.63 -10.68 C:6 17.73 -12.94 C:4 15.42 -12.94 C:11 15.87 -11.55 17 1 -2 19 2 -1 16 3 -1 16 4 -2 18 5 -1 6 13 2 7 8 1 8 14 1 9 10 1 9 16 1 10 18 1 11 13 1 11 17 1 12 17 1 12 18 1 13 14 1 14 15 2 15 17 1 15 19 1 16 19 1 18 19 1', '19 21 H 17.99 -13.71 H 16.19 -10.56 C 15.62 -9.62 C 13.90 -9.42 C 14.97 -14.34 O 20.96 -11.10 O 19.65 -8.56 C 18.47 -9.24 C 13.49 -11.55 C 13.90 -12.94 C 19.20 -12.92 C 16.55 -13.80 C 19.65 -11.54 C 18.47 -10.68 C 17.28 -11.55 C 14.63 -10.68 C 17.73 -12.94 C 15.42 -12.94 C 15.87 -11.55 17 1 -2 19 2 -1 16 3 -1 16 4 -2 18 5 -1 6 13 2 7 8 1 8 14 1 9 10 1 9 16 1 10 18 1 11 13 1 11 17 1 12 17 1 12 18 1 13 14 1 14 15 2 15 17 1 15 19 1 16 19 1 18 19 1', '19 21 H 17.99 -13.71 H 16.19 -10.56 C:31 15.62 -9.62 C:26 13.90 -9.42 C:30 14.97 -14.34 O 20.96 -11.10 O 19.65 -8.56 C:57 18.47 -9.24 C:42 13.49 -11.55 C:40 13.90 -12.94 C:42 19.20 -12.92 C:46 16.55 -13.80 C:211 19.65 -11.54 C:136 18.47 -10.68 C:187 17.28 -11.55 C:45 14.63 -10.68 C:44 17.73 -12.94 C:55 15.42 -12.94 C:62 15.87 -11.55 17 1 -2 19 2 -1 16 3 -1 16 4 -2 18 5 -1 6 13 2 7 8 1 8 14 1 9 10 1 9 16 1 10 18 1 11 13 1 11 17 1 12 17 1 12 18 1 13 14 1 14 15 2 15 17 1 15 19 1 16 19 1 18 19 1', 'C15H22O2', 234.175, 'C', 'np08_619_6', 3796, '', '', '1', 1, NULL, NULL),
(14989, '', '8β,10α-Diacetoxy-capnell-9(12)-ene', 'Terpenoids', 'Sesquiterpenoids', 'Capnellanes', '[H][C@@:6]13[CH2:7][C@H:8](O[C:8001]([CH3:8002])=O)[C:9](=[CH2:12])[C@:10]1(O[C:10001]([CH3:10002])=O)[C@@:11]2([H])[C@:1]([CH3:15])([CH3:14])[CH2:2][CH2:3][C@@:4]2([CH3:13])[CH2:5]3', '[H][C@@]13C[C@H](OC(C)=O)C(=C)[C@]1(OC(C)=O)[C@@]2([H])[C@](C)(C)CC[C@@]2(C)C3', '[H][C@@:48]13[CH2:36][C@H:75](O[C:171]([CH3:21])=O)[C:152](=[CH2:116])[C@:96]1(O[C:170]([CH3:22])=O)[C@@:65]2([H])[C@:44]([CH3:24])([CH3:31])[CH2:44][CH2:42][C@@:50]2([CH3:32])[CH2:45]3', '25 27 H 16.86 -14.01 H 14.89 -10.98 C:12 17.27 -9.51 C:8002 22.14 -11.79 C:10002 13.83 -8.93 C:15 12.74 -9.77 C:14 14.41 -9.93 C:13 13.83 -14.67 O 20.55 -13.68 O 16.16 -8.16 C:2 12.30 -11.92 C:3 12.74 -13.30 C:7 18.04 -13.20 C:5 15.41 -14.12 O 19.76 -11.34 O 15.67 -10.54 C:8001 20.83 -12.26 C:10001 15.22 -9.21 C:9 17.27 -10.96 C:8 18.47 -11.79 C:6 16.57 -13.22 C:1 13.44 -11.03 C:4 14.26 -13.28 C:11 14.68 -11.88 C:10 16.11 -11.84 21 1 -2 24 2 -1 3 19 2 4 17 1 5 18 1 22 6 -2 22 7 -1 23 8 -1 9 17 2 10 18 2 11 12 1 11 22 1 12 23 1 13 20 1 13 21 1 14 21 1 14 23 1 15 17 1 20 15 -1 16 18 1 25 16 -2 19 20 1 19 25 1 21 25 1 22 24 1 23 24 1 24 25 1', '25 27 H 16.86 -14.01 H 14.89 -10.98 C 17.27 -9.51 C 22.14 -11.79 C 13.83 -8.93 C 12.74 -9.77 C 14.41 -9.93 C 13.83 -14.67 O 20.55 -13.68 O 16.16 -8.16 C 12.30 -11.92 C 12.74 -13.30 C 18.04 -13.20 C 15.41 -14.12 O 19.76 -11.34 O 15.67 -10.54 C 20.83 -12.26 C 15.22 -9.21 C 17.27 -10.96 C 18.47 -11.79 C 16.57 -13.22 C 13.44 -11.03 C 14.26 -13.28 C 14.68 -11.88 C 16.11 -11.84 21 1 -2 24 2 -1 3 19 2 4 17 1 5 18 1 22 6 -2 22 7 -1 23 8 -1 9 17 2 10 18 2 11 12 1 11 22 1 12 23 1 13 20 1 13 21 1 14 21 1 14 23 1 15 17 1 20 15 -1 16 18 1 25 16 -2 19 20 1 19 25 1 21 25 1 22 24 1 23 24 1 24 25 1', '25 27 H 16.86 -14.01 H 14.89 -10.98 C:116 17.27 -9.51 C:21 22.14 -11.79 C:22 13.83 -8.93 C:24 12.74 -9.77 C:31 14.41 -9.93 C:32 13.83 -14.67 O 20.55 -13.68 O 16.16 -8.16 C:44 12.30 -11.92 C:42 12.74 -13.30 C:36 18.04 -13.20 C:45 15.41 -14.12 O 19.76 -11.34 O 15.67 -10.54 C:171 20.83 -12.26 C:170 15.22 -9.21 C:152 17.27 -10.96 C:75 18.47 -11.79 C:48 16.57 -13.22 C:44 13.44 -11.03 C:50 14.26 -13.28 C:65 14.68 -11.88 C:96 16.11 -11.84 21 1 -2 24 2 -1 3 19 2 4 17 1 5 18 1 22 6 -2 22 7 -1 23 8 -1 9 17 2 10 18 2 11 12 1 11 22 1 12 23 1 13 20 1 13 21 1 14 21 1 14 23 1 15 17 1 20 15 -1 16 18 1 25 16 -2 19 20 1 19 25 1 21 25 1 22 24 1 23 24 1 24 25 1', 'C19H28O4', 320.217, 'C', 'np08_619_7', 3796, '', '', '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
(14990, '', '8β-Acetoxy-capnell-9(12)-ene', 'Terpenoids', 'Sesquiterpenoids', 'Capnellanes', '[H][C@@:6]13[CH2:7][C@H:8](O[C:8001]([CH3:8002])=O)[C:9](=[CH2:12])[C@:10]1([H])[C@@:11]2([H])[C@@:1]([CH3:14])([CH3:15])[CH2:2][CH2:3][C@@:4]2([CH3:13])[CH2:5]3', '[H][C@@]13C[C@H](OC(C)=O)C(=C)[C@]1([H])[C@@]2([H])[C@@](C)(C)CC[C@@]2(C)C3', '[H][C@@:43]13[CH2:36][C@H:76](O[C:172]([CH3:21])=O)[C:156](=[CH2:109])[C@:50]1([H])[C@@:68]2([H])[C@@:44]([CH3:30])([CH3:26])[CH2:42][CH2:41][C@@:54]2([CH3:32])[CH2:48]3', '22 24 H 16.83 -13.42 H 15.79 -10.38 H 14.90 -10.32 C:12 17.30 -8.84 C:8002 22.24 -11.21 C:14 14.42 -9.23 C:15 12.67 -9.03 C:13 13.75 -14.05 O 20.62 -13.06 C:2 12.23 -11.20 C:3 12.67 -12.62 C:7 18.05 -12.62 C:5 15.37 -13.50 O 19.85 -10.75 C:8001 20.90 -11.70 C:9 17.30 -10.32 C:8 18.51 -11.20 C:6 16.56 -12.62 C:1 13.41 -10.32 C:4 14.21 -12.62 C:10 16.11 -11.20 C:11 14.67 -11.21 18 1 -2 21 2 -2 22 3 -1 4 16 2 5 15 1 19 6 -1 19 7 -2 20 8 -1 9 15 2 10 11 1 10 19 1 11 20 1 12 17 1 12 18 1 13 18 1 13 20 1 14 15 1 17 14 -1 16 17 1 16 21 1 18 21 1 19 22 1 20 22 1 21 22 1', '22 24 H 16.83 -13.42 H 15.79 -10.38 H 14.90 -10.32 C 17.30 -8.84 C 22.24 -11.21 C 14.42 -9.23 C 12.67 -9.03 C 13.75 -14.05 O 20.62 -13.06 C 12.23 -11.20 C 12.67 -12.62 C 18.05 -12.62 C 15.37 -13.50 O 19.85 -10.75 C 20.90 -11.70 C 17.30 -10.32 C 18.51 -11.20 C 16.56 -12.62 C 13.41 -10.32 C 14.21 -12.62 C 16.11 -11.20 C 14.67 -11.21 18 1 -2 21 2 -2 22 3 -1 4 16 2 5 15 1 19 6 -1 19 7 -2 20 8 -1 9 15 2 10 11 1 10 19 1 11 20 1 12 17 1 12 18 1 13 18 1 13 20 1 14 15 1 17 14 -1 16 17 1 16 21 1 18 21 1 19 22 1 20 22 1 21 22 1', '22 24 H 16.83 -13.42 H 15.79 -10.38 H 14.90 -10.32 C:109 17.30 -8.84 C:21 22.24 -11.21 C:30 14.42 -9.23 C:26 12.67 -9.03 C:32 13.75 -14.05 O 20.62 -13.06 C:42 12.23 -11.20 C:41 12.67 -12.62 C:36 18.05 -12.62 C:48 15.37 -13.50 O 19.85 -10.75 C:172 20.90 -11.70 C:156 17.30 -10.32 C:76 18.51 -11.20 C:43 16.56 -12.62 C:44 13.41 -10.32 C:54 14.21 -12.62 C:50 16.11 -11.20 C:68 14.67 -11.21 18 1 -2 21 2 -2 22 3 -1 4 16 2 5 15 1 19 6 -1 19 7 -2 20 8 -1 9 15 2 10 11 1 10 19 1 11 20 1 12 17 1 12 18 1 13 18 1 13 20 1 14 15 1 17 14 -1 16 17 1 16 21 1 18 21 1 19 22 1 20 22 1 21 22 1', 'C17H26O2', 262.205, 'C', 'np08_619_8', 3796, '', '', '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
(15001, '', '', 'Terpenoids', 'Diterpenoids', 'Prenylbisabolanes', '[CH3:16][C:15]([CH3:17])=[CH:14][CH2:13][CH2:12][CH:11]([CH3:18])[CH:10]=[CH:9][CH:8]=[C:7]([CH3:19])[C@H:6]1[CH2:1][CH2:2][C@H:3]([C:20](=O)O)[CH2:4][CH2:5]1', 'CC(C)=CCCC(C)C=CC=C(C)[C@H]1CC[C@H](C(=O)O)CC1', '[CH3:26][C:132]([CH3:18])=[CH:125][CH2:26][CH2:37][CH:37]([CH3:21])[CH:139]=[CH:125][CH:124]=[C:140]([CH3:15])[C@H:47]1[CH2:31][CH2:29][C@H:43]([C:182](=O)O)[CH2:29][CH2:31]1', '22 22 C:16 25.72 -10.73 C:17 24.51 -8.63 C:19 14.81 -8.63 C:18 19.66 -8.63 O 9.96 -14.23 O 8.75 -12.13 C:9 17.23 -10.03 C:8 16.02 -10.73 C:10 18.44 -10.73 C:14 23.29 -10.73 C:13 22.08 -10.03 C:12 20.87 -10.73 C:1 12.38 -10.03 C:5 13.59 -12.13 C:2 11.17 -10.73 C:4 12.38 -12.83 C:15 24.51 -10.03 C:7 14.81 -10.03 C:20 9.96 -12.83 C:11 19.66 -10.03 C:6 13.59 -10.73 C:3 11.17 -12.13 1 17 1 2 17 1 3 18 1 4 20 1 5 19 2 6 19 1 7 8 1 7 9 2 8 18 2 9 20 1 10 11 1 10 17 2 11 12 1 12 20 1 13 15 1 13 21 1 14 16 1 14 21 1 15 22 1 16 22 1 21 18 -2 22 19 -1', '22 22 C 25.72 -10.73 C 24.51 -8.63 C 14.81 -8.63 C 19.66 -8.63 O 9.96 -14.23 O 8.75 -12.13 C 17.23 -10.03 C 16.02 -10.73 C 18.44 -10.73 C 23.29 -10.73 C 22.08 -10.03 C 20.87 -10.73 C 12.38 -10.03 C 13.59 -12.13 C 11.17 -10.73 C 12.38 -12.83 C 24.51 -10.03 C 14.81 -10.03 C 9.96 -12.83 C 19.66 -10.03 C 13.59 -10.73 C 11.17 -12.13 1 17 1 2 17 1 3 18 1 4 20 1 5 19 2 6 19 1 7 8 1 7 9 2 8 18 2 9 20 1 10 11 1 10 17 2 11 12 1 12 20 1 13 15 1 13 21 1 14 16 1 14 21 1 15 22 1 16 22 1 21 18 -2 22 19 -1', '22 22 C:26 25.72 -10.73 C:18 24.51 -8.63 C:15 14.81 -8.63 C:21 19.66 -8.63 O 9.96 -14.23 O 8.75 -12.13 C:125 17.23 -10.03 C:124 16.02 -10.73 C:139 18.44 -10.73 C:125 23.29 -10.73 C:26 22.08 -10.03 C:37 20.87 -10.73 C:31 12.38 -10.03 C:31 13.59 -12.13 C:29 11.17 -10.73 C:29 12.38 -12.83 C:132 24.51 -10.03 C:140 14.81 -10.03 C:182 9.96 -12.83 C:37 19.66 -10.03 C:47 13.59 -10.73 C:43 11.17 -12.13 1 17 1 2 17 1 3 18 1 4 20 1 5 19 2 6 19 1 7 8 1 7 9 2 8 18 2 9 20 1 10 11 1 10 17 2 11 12 1 12 20 1 13 15 1 13 21 1 14 16 1 14 21 1 15 22 1 16 22 1 21 18 -2 22 19 -1', 'C20H32O2', 304.213, 'C', 'np08_1701_17', 3797, '', '', '1', 1, NULL, NULL),
(15002, '', 'Methyl-13-hydroxy-14-isopropyl-9(11),12,14(8)-podocaratriene-19-oate', 'Terpenoids', 'Diterpenoids', 'Totaranes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[c:9]([cH:11][cH:12][c:13](O)[c:14]1[CH:15]([CH3:17])[CH3:16])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]23CCc1c(ccc(O)c1C(C)C)[C@@]2(C)CCC[C@]3(C)C(=O)OC', '[H][C@@:52]23[CH2:22][CH2:30][c:135]1[c:140]([cH:124][cH:115][c:155](O)[c:131]1[CH:28]([CH3:21])[CH3:20])[C@@:39]2([CH3:23])[CH2:41][CH2:21][CH2:38][C@:44]3([CH3:28])[C:178](=O)O[CH3:51]', '25 27 H 16.00 -12.57 C:19001 12.99 -15.54 C:17 20.92 -11.56 C:16 22.13 -9.44 C:18 15.74 -13.32 C:20 16.00 -8.73 O 12.38 -12.80 O 20.92 -7.33 C:12 18.47 -7.33 C:11 17.24 -8.01 C:2 13.54 -10.16 C:7 18.47 -11.56 C:3 13.54 -11.56 C:1 14.77 -9.44 C:6 17.24 -12.27 O 14.03 -14.59 C:19 13.73 -13.23 C:13 19.69 -8.01 C:8 18.47 -10.16 C:9 17.24 -9.44 C:14 19.69 -9.44 C:15 20.92 -10.16 C:4 14.77 -12.27 C:5 16.00 -11.56 C:10 16.00 -10.16 24 1 -2 2 16 1 3 22 1 4 22 1 23 5 -2 25 6 -1 7 17 2 8 18 1 9 10 2 9 18 1 10 20 1 11 13 1 11 14 1 12 15 1 12 19 1 13 23 1 14 25 1 15 24 1 16 17 1 23 17 -1 18 21 2 19 20 2 19 21 1 20 25 1 21 22 1 23 24 1 24 25 1', '25 27 H 16.00 -12.57 C 12.99 -15.54 C 20.92 -11.56 C 22.13 -9.44 C 15.74 -13.32 C 16.00 -8.73 O 12.38 -12.80 O 20.92 -7.33 C 18.47 -7.33 C 17.24 -8.01 C 13.54 -10.16 C 18.47 -11.56 C 13.54 -11.56 C 14.77 -9.44 C 17.24 -12.27 O 14.03 -14.59 C 13.73 -13.23 C 19.69 -8.01 C 18.47 -10.16 C 17.24 -9.44 C 19.69 -9.44 C 20.92 -10.16 C 14.77 -12.27 C 16.00 -11.56 C 16.00 -10.16 24 1 -2 2 16 1 3 22 1 4 22 1 23 5 -2 25 6 -1 7 17 2 8 18 1 9 10 2 9 18 1 10 20 1 11 13 1 11 14 1 12 15 1 12 19 1 13 23 1 14 25 1 15 24 1 16 17 1 23 17 -1 18 21 2 19 20 2 19 21 1 20 25 1 21 22 1 23 24 1 24 25 1', '25 27 H 16.00 -12.57 C:51 12.99 -15.54 C:21 20.92 -11.56 C:20 22.13 -9.44 C:28 15.74 -13.32 C:23 16.00 -8.73 O 12.38 -12.80 O 20.92 -7.33 C:115 18.47 -7.33 C:124 17.24 -8.01 C:21 13.54 -10.16 C:30 18.47 -11.56 C:38 13.54 -11.56 C:41 14.77 -9.44 C:22 17.24 -12.27 O 14.03 -14.59 C:178 13.73 -13.23 C:155 19.69 -8.01 C:135 18.47 -10.16 C:140 17.24 -9.44 C:131 19.69 -9.44 C:28 20.92 -10.16 C:44 14.77 -12.27 C:52 16.00 -11.56 C:39 16.00 -10.16 24 1 -2 2 16 1 3 22 1 4 22 1 23 5 -2 25 6 -1 7 17 2 8 18 1 9 10 2 9 18 1 10 20 1 11 13 1 11 14 1 12 15 1 12 19 1 13 23 1 14 25 1 15 24 1 16 17 1 23 17 -1 18 21 2 19 20 2 19 21 1 20 25 1 21 22 1 23 24 1 24 25 1', 'C21H30O3', 330.231, 'C', 'npr06_606_1', 3798, '', '', '1', 1, NULL, NULL),
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(15015, '', '19-(N,N-dimethylcarbamoxy)-2b,13-dihydroxystemaraneol', 'Terpenoids', 'Diterpenoids', 'Stemaranes', '[H][C@@:12]14[CH2:17][CH2:16][C@@:9]3([CH2:11]1)[C@@:8]([H])([CH2:7][CH2:6][C@@:5]2([H])[C@:4]([CH3:19])([CH2:18]O[C:18001](=O)N([CH3:18002])[CH3:18003])[CH2:3][C@H:2](O)[CH2:1][C@@:10]23[CH3:20])[CH2:14][C@@:13]4([CH3:15])O', '[H][C@@]14CC[C@@]3(C1)[C@@]([H])(CC[C@@]2([H])[C@](C)(COC(=O)N(C)C)C[C@H](O)C[C@@]23C)C[C@@]4(C)O', '[H][C@@:48]14[CH2:27][CH2:32][C@@:52]3([CH2:34]1)[C@@:41]([H])([CH2:36][CH2:23][C@@:43]2([H])[C@:37]([CH3:18])([CH2:73]O[C:154](=O)N([CH3:31])[CH3:31])[CH2:51][C@H:75](O)[CH2:40][C@@:44]23[CH3:21])[CH2:42][C@@:74]4([CH3:29])O', '31 34 H 19.05 -5.46 H 19.05 -8.31 H 16.57 -11.85 C:18002 15.02 -16.62 C:18003 17.34 -17.35 C:15 20.64 -5.92 C:19 14.28 -12.52 C:20 16.57 -8.00 O 18.18 -14.69 O 12.89 -8.69 O 21.62 -7.64 C:7 19.05 -10.83 C:17 17.72 -6.05 C:6 17.81 -11.55 C:16 16.81 -7.48 C:18 16.28 -12.62 C:3 14.09 -10.83 C:1 15.28 -8.69 C:14 20.27 -8.69 C:11 17.81 -7.27 O 15.86 -13.96 C:18001 16.81 -14.99 C:2 14.09 -9.41 N 16.39 -16.32 C:13 20.27 -7.27 C:12 19.05 -6.54 C:8 19.05 -9.41 C:4 15.28 -11.55 C:5 16.57 -10.83 C:10 16.57 -9.41 C:9 17.81 -8.69 26 1 -2 27 2 -1 29 3 -2 4 24 1 5 24 1 25 6 -1 28 7 -1 30 8 -1 9 22 2 23 10 -2 25 11 -2 12 14 1 12 27 1 13 15 1 13 26 1 14 29 1 31 15 -1 16 21 1 28 16 -2 17 23 1 17 28 1 18 23 1 18 30 1 19 25 1 19 27 1 20 26 1 20 31 1 21 22 1 22 24 1 25 26 1 27 31 1 28 29 1 29 30 1 30 31 1', '31 34 H 19.05 -5.46 H 19.05 -8.31 H 16.57 -11.85 C 15.02 -16.62 C 17.34 -17.35 C 20.64 -5.92 C 14.28 -12.52 C 16.57 -8.00 O 18.18 -14.69 O 12.89 -8.69 O 21.62 -7.64 C 19.05 -10.83 C 17.72 -6.05 C 17.81 -11.55 C 16.81 -7.48 C 16.28 -12.62 C 14.09 -10.83 C 15.28 -8.69 C 20.27 -8.69 C 17.81 -7.27 O 15.86 -13.96 C 16.81 -14.99 C 14.09 -9.41 N 16.39 -16.32 C 20.27 -7.27 C 19.05 -6.54 C 19.05 -9.41 C 15.28 -11.55 C 16.57 -10.83 C 16.57 -9.41 C 17.81 -8.69 26 1 -2 27 2 -1 29 3 -2 4 24 1 5 24 1 25 6 -1 28 7 -1 30 8 -1 9 22 2 23 10 -2 25 11 -2 12 14 1 12 27 1 13 15 1 13 26 1 14 29 1 31 15 -1 16 21 1 28 16 -2 17 23 1 17 28 1 18 23 1 18 30 1 19 25 1 19 27 1 20 26 1 20 31 1 21 22 1 22 24 1 25 26 1 27 31 1 28 29 1 29 30 1 30 31 1', '31 34 H 19.05 -5.46 H 19.05 -8.31 H 16.57 -11.85 C:31 15.02 -16.62 C:31 17.34 -17.35 C:29 20.64 -5.92 C:18 14.28 -12.52 C:21 16.57 -8.00 O 18.18 -14.69 O 12.89 -8.69 O 21.62 -7.64 C:36 19.05 -10.83 C:27 17.72 -6.05 C:23 17.81 -11.55 C:32 16.81 -7.48 C:73 16.28 -12.62 C:51 14.09 -10.83 C:40 15.28 -8.69 C:42 20.27 -8.69 C:34 17.81 -7.27 O 15.86 -13.96 C:154 16.81 -14.99 C:75 14.09 -9.41 N 16.39 -16.32 C:74 20.27 -7.27 C:48 19.05 -6.54 C:41 19.05 -9.41 C:37 15.28 -11.55 C:43 16.57 -10.83 C:44 16.57 -9.41 C:52 17.81 -8.69 26 1 -2 27 2 -1 29 3 -2 4 24 1 5 24 1 25 6 -1 28 7 -1 30 8 -1 9 22 2 23 10 -2 25 11 -2 12 14 1 12 27 1 13 15 1 13 26 1 14 29 1 31 15 -1 16 21 1 28 16 -2 17 23 1 17 28 1 18 23 1 18 30 1 19 25 1 19 27 1 20 26 1 20 31 1 21 22 1 22 24 1 25 26 1 27 31 1 28 29 1 29 30 1 30 31 1', 'C23H39NO4', 393.274, 'C', 'ph67_1088_15', 3802, '', '', '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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