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
(14303, '', 'ent-14-Labden-3β,8β-diol 13α-[O-β-D-quinovopyranosyl-(1-->2)-α-L-rhamnopyranoside]', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH3:206])[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@:10]3([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@@:4]4([CH3:18])[CH3:19]', '[H][C@]34CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@]3(C)CC[C@H](O)[C@@]4(C)C', '[H][C@:57]34[CH2:19][CH2:43][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:81]([CH3:23])([CH:144]=[CH2:116])O[C@@H:96]1O[C@@H:70]([CH3:18])[C@H:75](O)[C@@H:72](O)[C@H:84]1O[C@@H:107]2O[C@H:73]([CH3:18])[C@@H:77](O)[C@H:78](O)[C@H:76]2O)[C@:40]3([CH3:16])[CH2:39][CH2:28][C@H:80](O)[C@@:40]4([CH3:29])[CH3:16]', '44 47 H 18.26 -17.52 C:15 21.97 -8.75 C:206 14.75 -4.55 C:106 21.97 -5.95 C:17 21.46 -13.97 C:18 17.98 -18.35 C:19 16.09 -18.35 C:16 20.75 -9.53 C:20 18.26 -13.74 O 14.60 -17.26 O 12.31 -5.95 O 19.63 -4.55 O 12.31 -8.75 O 14.75 -10.15 O 17.15 -5.95 O 22.15 -15.17 C:14 21.97 -10.15 C:2 15.80 -15.17 C:11 19.51 -13.00 C:12 20.75 -12.36 C:7 20.75 -16.57 C:1 17.02 -14.45 C:6 19.51 -17.26 O 15.94 -6.66 O 20.75 -8.12 O 17.15 -8.75 O 19.51 -10.15 C:205 14.75 -5.95 C:105 20.75 -6.73 C:3 15.80 -16.57 C:204 13.53 -6.66 C:104 19.63 -5.95 C:203 13.53 -8.05 C:202 14.75 -8.75 C:103 18.35 -6.66 C:201 15.94 -8.05 C:101 19.51 -8.75 C:102 18.35 -8.05 C:9 19.51 -14.45 C:8 20.75 -15.17 C:4 17.02 -17.26 C:13 20.75 -10.95 C:5 18.26 -16.57 C:10 18.26 -15.17 43 1 -1 2 17 2 28 3 -1 29 4 -2 40 5 -1 41 6 -1 41 7 -2 42 8 -2 44 9 -2 30 10 -1 31 11 -2 32 12 -1 33 13 -1 34 14 -2 35 15 -2 40 16 -2 17 42 1 18 22 1 18 30 1 19 20 1 39 19 -2 20 42 1 21 23 1 21 40 1 22 44 1 23 43 1 24 28 1 24 36 1 25 29 1 25 37 1 36 26 -1 38 26 -2 37 27 -1 42 27 -1 28 31 1 29 32 1 30 41 1 31 33 1 32 35 1 33 34 1 34 36 1 35 38 1 37 38 1 39 40 1 39 44 1 41 43 1 43 44 1', '44 47 H 18.26 -17.52 C 21.97 -8.75 C 14.75 -4.55 C 21.97 -5.95 C 21.46 -13.97 C 17.98 -18.35 C 16.09 -18.35 C 20.75 -9.53 C 18.26 -13.74 O 14.60 -17.26 O 12.31 -5.95 O 19.63 -4.55 O 12.31 -8.75 O 14.75 -10.15 O 17.15 -5.95 O 22.15 -15.17 C 21.97 -10.15 C 15.80 -15.17 C 19.51 -13.00 C 20.75 -12.36 C 20.75 -16.57 C 17.02 -14.45 C 19.51 -17.26 O 15.94 -6.66 O 20.75 -8.12 O 17.15 -8.75 O 19.51 -10.15 C 14.75 -5.95 C 20.75 -6.73 C 15.80 -16.57 C 13.53 -6.66 C 19.63 -5.95 C 13.53 -8.05 C 14.75 -8.75 C 18.35 -6.66 C 15.94 -8.05 C 19.51 -8.75 C 18.35 -8.05 C 19.51 -14.45 C 20.75 -15.17 C 17.02 -17.26 C 20.75 -10.95 C 18.26 -16.57 C 18.26 -15.17 43 1 -1 2 17 2 28 3 -1 29 4 -2 40 5 -1 41 6 -1 41 7 -2 42 8 -2 44 9 -2 30 10 -1 31 11 -2 32 12 -1 33 13 -1 34 14 -2 35 15 -2 40 16 -2 17 42 1 18 22 1 18 30 1 19 20 1 39 19 -2 20 42 1 21 23 1 21 40 1 22 44 1 23 43 1 24 28 1 24 36 1 25 29 1 25 37 1 36 26 -1 38 26 -2 37 27 -1 42 27 -1 28 31 1 29 32 1 30 41 1 31 33 1 32 35 1 33 34 1 34 36 1 35 38 1 37 38 1 39 40 1 39 44 1 41 43 1 43 44 1', '44 47 H 18.26 -17.52 C:116 21.97 -8.75 C:18 14.75 -4.55 C:18 21.97 -5.95 C:31 21.46 -13.97 C:29 17.98 -18.35 C:16 16.09 -18.35 C:23 20.75 -9.53 C:16 18.26 -13.74 O 14.60 -17.26 O 12.31 -5.95 O 19.63 -4.55 O 12.31 -8.75 O 14.75 -10.15 O 17.15 -5.95 O 22.15 -15.17 C:144 21.97 -10.15 C:28 15.80 -15.17 C:20 19.51 -13.00 C:47 20.75 -12.36 C:43 20.75 -16.57 C:39 17.02 -14.45 C:19 19.51 -17.26 O 15.94 -6.66 O 20.75 -8.12 O 17.15 -8.75 O 19.51 -10.15 C:73 14.75 -5.95 C:70 20.75 -6.73 C:80 15.80 -16.57 C:77 13.53 -6.66 C:75 19.63 -5.95 C:78 13.53 -8.05 C:76 14.75 -8.75 C:72 18.35 -6.66 C:107 15.94 -8.05 C:96 19.51 -8.75 C:84 18.35 -8.05 C:61 19.51 -14.45 C:74 20.75 -15.17 C:40 17.02 -17.26 C:81 20.75 -10.95 C:57 18.26 -16.57 C:40 18.26 -15.17 43 1 -1 2 17 2 28 3 -1 29 4 -2 40 5 -1 41 6 -1 41 7 -2 42 8 -2 44 9 -2 30 10 -1 31 11 -2 32 12 -1 33 13 -1 34 14 -2 35 15 -2 40 16 -2 17 42 1 18 22 1 18 30 1 19 20 1 39 19 -2 20 42 1 21 23 1 21 40 1 22 44 1 23 43 1 24 28 1 24 36 1 25 29 1 25 37 1 36 26 -1 38 26 -2 37 27 -1 42 27 -1 28 31 1 29 32 1 30 41 1 31 33 1 32 35 1 33 34 1 34 36 1 35 38 1 37 38 1 39 40 1 39 44 1 41 43 1 43 44 1', 'C32H56O11', 616.344, 'M', 'np07_1837_1a', 3675, '', '', '1', 47, NULL, NULL),
(14304, '', 'ent-14-Labden-8-ol-13α-O-β-D-glucopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CCC[C@@]3(C)C', '[H][C@:58]23[CH2:20][CH2:43][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:82]([CH3:23])([CH:145]=[CH2:116])O[C@@H:100]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@:40]2([CH3:16])[CH2:41][CH2:19][CH2:43][C@@:34]3([CH3:34])[CH3:22]', '34 36 H 16.01 -17.48 C:15 19.73 -8.77 C:18 15.73 -18.31 C:19 13.85 -18.31 C:17 19.22 -13.95 C:16 18.51 -9.52 C:20 16.01 -13.72 O 20.99 -6.74 O 14.89 -6.00 O 17.39 -4.57 O 14.89 -8.77 O 19.91 -15.16 C:14 19.73 -10.17 C:106 19.81 -6.00 C:2 13.56 -15.16 C:11 17.27 -12.98 C:3 13.56 -16.54 C:1 14.78 -14.44 C:12 18.51 -12.35 C:7 18.51 -16.54 C:6 17.27 -17.23 O 18.51 -8.14 O 17.27 -10.17 C:103 16.10 -6.67 C:104 17.39 -6.00 C:102 16.10 -8.07 C:105 18.51 -6.74 C:101 17.27 -8.77 C:9 17.27 -14.44 C:4 14.78 -17.23 C:8 18.51 -15.16 C:13 18.51 -10.93 C:5 16.01 -16.54 C:10 16.01 -15.16 33 1 -1 2 13 2 30 3 -1 30 4 -2 31 5 -1 32 6 -2 34 7 -2 8 14 1 24 9 -1 25 10 -2 26 11 -2 31 12 -2 13 32 1 27 14 -1 15 17 1 15 18 1 16 19 1 29 16 -2 17 30 1 18 34 1 19 32 1 20 21 1 20 31 1 21 33 1 22 27 1 22 28 1 28 23 -1 32 23 -1 24 25 1 24 26 1 25 27 1 26 28 1 29 31 1 29 34 1 30 33 1 33 34 1', '34 36 H 16.01 -17.48 C 19.73 -8.77 C 15.73 -18.31 C 13.85 -18.31 C 19.22 -13.95 C 18.51 -9.52 C 16.01 -13.72 O 20.99 -6.74 O 14.89 -6.00 O 17.39 -4.57 O 14.89 -8.77 O 19.91 -15.16 C 19.73 -10.17 C 19.81 -6.00 C 13.56 -15.16 C 17.27 -12.98 C 13.56 -16.54 C 14.78 -14.44 C 18.51 -12.35 C 18.51 -16.54 C 17.27 -17.23 O 18.51 -8.14 O 17.27 -10.17 C 16.10 -6.67 C 17.39 -6.00 C 16.10 -8.07 C 18.51 -6.74 C 17.27 -8.77 C 17.27 -14.44 C 14.78 -17.23 C 18.51 -15.16 C 18.51 -10.93 C 16.01 -16.54 C 16.01 -15.16 33 1 -1 2 13 2 30 3 -1 30 4 -2 31 5 -1 32 6 -2 34 7 -2 8 14 1 24 9 -1 25 10 -2 26 11 -2 31 12 -2 13 32 1 27 14 -1 15 17 1 15 18 1 16 19 1 29 16 -2 17 30 1 18 34 1 19 32 1 20 21 1 20 31 1 21 33 1 22 27 1 22 28 1 28 23 -1 32 23 -1 24 25 1 24 26 1 25 27 1 26 28 1 29 31 1 29 34 1 30 33 1 33 34 1', '34 36 H 16.01 -17.48 C:116 19.73 -8.77 C:34 15.73 -18.31 C:22 13.85 -18.31 C:31 19.22 -13.95 C:23 18.51 -9.52 C:16 16.01 -13.72 O 20.99 -6.74 O 14.89 -6.00 O 17.39 -4.57 O 14.89 -8.77 O 19.91 -15.16 C:145 19.73 -10.17 C:63 19.81 -6.00 C:19 13.56 -15.16 C:20 17.27 -12.98 C:43 13.56 -16.54 C:41 14.78 -14.44 C:47 18.51 -12.35 C:43 18.51 -16.54 C:20 17.27 -17.23 O 18.51 -8.14 O 17.27 -10.17 C:78 16.10 -6.67 C:72 17.39 -6.00 C:75 16.10 -8.07 C:78 18.51 -6.74 C:100 17.27 -8.77 C:61 17.27 -14.44 C:34 14.78 -17.23 C:74 18.51 -15.16 C:82 18.51 -10.93 C:58 16.01 -16.54 C:40 16.01 -15.16 33 1 -1 2 13 2 30 3 -1 30 4 -2 31 5 -1 32 6 -2 34 7 -2 8 14 1 24 9 -1 25 10 -2 26 11 -2 31 12 -2 13 32 1 27 14 -1 15 17 1 15 18 1 16 19 1 29 16 -2 17 30 1 18 34 1 19 32 1 20 21 1 20 31 1 21 33 1 22 27 1 22 28 1 28 23 -1 32 23 -1 24 25 1 24 26 1 25 27 1 26 28 1 29 31 1 29 34 1 30 33 1 33 34 1', 'C26H46O7', 470.282, 'M', 'np07_1837_1b', 3675, '', '', '1', 47, NULL, NULL),
(14305, '', 'ent-14-Labden-8,19-diol 13α-O-β-D-glucopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CCC[C@@]3(C)CO', '[H][C@:58]23[CH2:19][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:21][CH2:47][C@:82]([CH3:23])([CH:145]=[CH2:116])O[C@@H:100]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@:40]2([CH3:17])[CH2:41][CH2:19][CH2:37][C@@:40]3([CH3:28])[CH2:65]O', '35 37 H 16.01 -16.81 C:15 19.73 -8.10 C:17 19.22 -13.28 C:16 18.51 -8.85 C:18 15.73 -17.64 C:20 16.01 -13.05 O 20.99 -6.07 O 14.29 -18.97 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:14 19.73 -9.50 C:106 19.81 -5.33 C:19 13.85 -17.64 C:2 13.56 -14.49 C:11 17.27 -12.31 C:12 18.51 -11.68 C:3 13.56 -15.87 C:1 14.78 -13.77 C:7 18.51 -15.87 C:6 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:103 16.10 -6.00 C:104 17.39 -5.33 C:102 16.10 -7.40 C:105 18.51 -6.07 C:101 17.27 -8.10 C:9 17.27 -13.77 C:8 18.51 -14.49 C:13 18.51 -10.26 C:5 16.01 -15.87 C:4 14.78 -16.56 C:10 16.01 -14.49 33 1 -1 2 13 2 31 3 -1 32 4 -2 34 5 -1 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -2 13 32 1 28 14 -1 34 15 -2 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C 19.73 -8.10 C 19.22 -13.28 C 18.51 -8.85 C 15.73 -17.64 C 16.01 -13.05 O 20.99 -6.07 O 14.29 -18.97 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C 19.73 -9.50 C 19.81 -5.33 C 13.85 -17.64 C 13.56 -14.49 C 17.27 -12.31 C 18.51 -11.68 C 13.56 -15.87 C 14.78 -13.77 C 18.51 -15.87 C 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C 16.10 -6.00 C 17.39 -5.33 C 16.10 -7.40 C 18.51 -6.07 C 17.27 -8.10 C 17.27 -13.77 C 18.51 -14.49 C 18.51 -10.26 C 16.01 -15.87 C 14.78 -16.56 C 16.01 -14.49 33 1 -1 2 13 2 31 3 -1 32 4 -2 34 5 -1 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -2 13 32 1 28 14 -1 34 15 -2 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C:116 19.73 -8.10 C:31 19.22 -13.28 C:23 18.51 -8.85 C:28 15.73 -17.64 C:17 16.01 -13.05 O 20.99 -6.07 O 14.29 -18.97 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:145 19.73 -9.50 C:63 19.81 -5.33 C:65 13.85 -17.64 C:19 13.56 -14.49 C:21 17.27 -12.31 C:47 18.51 -11.68 C:37 13.56 -15.87 C:41 14.78 -13.77 C:44 18.51 -15.87 C:19 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:78 16.10 -6.00 C:72 17.39 -5.33 C:75 16.10 -7.40 C:78 18.51 -6.07 C:100 17.27 -8.10 C:61 17.27 -13.77 C:74 18.51 -14.49 C:82 18.51 -10.26 C:58 16.01 -15.87 C:40 14.78 -16.56 C:40 16.01 -14.49 33 1 -1 2 13 2 31 3 -1 32 4 -2 34 5 -1 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -2 13 32 1 28 14 -1 34 15 -2 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', 'C26H46O8', 486.281, 'M', 'np07_1837_1c', 3675, '', '', '1', 47, NULL, NULL),
(14306, '', 'ent-14-Labden-8α,19-diol 13α-O-β-D-glucopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23CC[C@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CCC[C@@]3(C)CO', '[H][C@:58]23[CH2:19][CH2:45][C@:75]([CH3:24])(O)[C@@H:63]([CH2:22][CH2:45][C@:82]([CH3:23])([CH:145]=[CH2:115])O[C@@H:99]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@:40]2([CH3:17])[CH2:41][CH2:20][CH2:37][C@@:40]3([CH3:28])[CH2:65]O', '35 37 H 16.01 -16.81 C:15 19.73 -8.10 C:17 19.22 -13.28 C:16 18.51 -8.85 C:18 15.73 -17.64 C:20 16.01 -13.05 O 20.99 -6.07 O 14.29 -18.97 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:14 19.73 -9.50 C:106 19.81 -5.33 C:19 13.85 -17.64 C:2 13.56 -14.49 C:11 17.27 -12.31 C:12 18.51 -11.68 C:3 13.56 -15.87 C:1 14.78 -13.77 C:7 18.51 -15.87 C:6 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:103 16.10 -6.00 C:104 17.39 -5.33 C:102 16.10 -7.40 C:105 18.51 -6.07 C:101 17.27 -8.10 C:9 17.27 -13.77 C:8 18.51 -14.49 C:13 18.51 -10.26 C:5 16.01 -15.87 C:4 14.78 -16.56 C:10 16.01 -14.49 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -1 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -1 13 32 1 28 14 -1 34 15 -2 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C 19.73 -8.10 C 19.22 -13.28 C 18.51 -8.85 C 15.73 -17.64 C 16.01 -13.05 O 20.99 -6.07 O 14.29 -18.97 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C 19.73 -9.50 C 19.81 -5.33 C 13.85 -17.64 C 13.56 -14.49 C 17.27 -12.31 C 18.51 -11.68 C 13.56 -15.87 C 14.78 -13.77 C 18.51 -15.87 C 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C 16.10 -6.00 C 17.39 -5.33 C 16.10 -7.40 C 18.51 -6.07 C 17.27 -8.10 C 17.27 -13.77 C 18.51 -14.49 C 18.51 -10.26 C 16.01 -15.87 C 14.78 -16.56 C 16.01 -14.49 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -1 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -1 13 32 1 28 14 -1 34 15 -2 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C:115 19.73 -8.10 C:24 19.22 -13.28 C:23 18.51 -8.85 C:28 15.73 -17.64 C:17 16.01 -13.05 O 20.99 -6.07 O 14.29 -18.97 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:145 19.73 -9.50 C:63 19.81 -5.33 C:65 13.85 -17.64 C:20 13.56 -14.49 C:22 17.27 -12.31 C:45 18.51 -11.68 C:37 13.56 -15.87 C:41 14.78 -13.77 C:45 18.51 -15.87 C:19 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:78 16.10 -6.00 C:72 17.39 -5.33 C:75 16.10 -7.40 C:78 18.51 -6.07 C:99 17.27 -8.10 C:63 17.27 -13.77 C:75 18.51 -14.49 C:82 18.51 -10.26 C:58 16.01 -15.87 C:40 14.78 -16.56 C:40 16.01 -14.49 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -1 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -1 13 32 1 28 14 -1 34 15 -2 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', 'C26H46O8', 486.281, 'M', 'np07_1837_1d', 3675, '', '', '1', 47, NULL, NULL),
(14307, '', 'ent-14-Labden-8α,18-diol 13α-O-β-D-glucopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O', '[H][C@]23CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CCC[C@]3(C)CO', '[H][C@:50]23[CH2:19][CH2:43][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:82]([CH3:23])([CH:145]=[CH2:116])O[C@@H:100]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@:40]2([CH3:18])[CH2:40][CH2:19][CH2:37][C@:39]3([CH3:16])[CH2:72]O', '35 37 H 16.01 -16.81 C:15 19.73 -8.10 C:17 19.22 -13.28 C:16 18.51 -8.85 C:19 13.85 -17.64 C:20 16.01 -13.05 O 20.99 -6.07 O 15.28 -18.96 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:14 19.73 -9.50 C:106 19.81 -5.33 C:18 15.73 -17.64 C:2 13.56 -14.49 C:11 17.27 -12.31 C:12 18.51 -11.68 C:3 13.56 -15.87 C:1 14.78 -13.77 C:7 18.51 -15.87 C:6 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:103 16.10 -6.00 C:104 17.39 -5.33 C:102 16.10 -7.40 C:105 18.51 -6.07 C:101 17.27 -8.10 C:9 17.27 -13.77 C:8 18.51 -14.49 C:13 18.51 -10.26 C:5 16.01 -15.87 C:4 14.78 -16.56 C:10 16.01 -14.49 33 1 -1 2 13 2 31 3 -1 32 4 -2 34 5 -2 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -2 13 32 1 28 14 -1 34 15 -1 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C 19.73 -8.10 C 19.22 -13.28 C 18.51 -8.85 C 13.85 -17.64 C 16.01 -13.05 O 20.99 -6.07 O 15.28 -18.96 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C 19.73 -9.50 C 19.81 -5.33 C 15.73 -17.64 C 13.56 -14.49 C 17.27 -12.31 C 18.51 -11.68 C 13.56 -15.87 C 14.78 -13.77 C 18.51 -15.87 C 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C 16.10 -6.00 C 17.39 -5.33 C 16.10 -7.40 C 18.51 -6.07 C 17.27 -8.10 C 17.27 -13.77 C 18.51 -14.49 C 18.51 -10.26 C 16.01 -15.87 C 14.78 -16.56 C 16.01 -14.49 33 1 -1 2 13 2 31 3 -1 32 4 -2 34 5 -2 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -2 13 32 1 28 14 -1 34 15 -1 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C:116 19.73 -8.10 C:31 19.22 -13.28 C:23 18.51 -8.85 C:16 13.85 -17.64 C:18 16.01 -13.05 O 20.99 -6.07 O 15.28 -18.96 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:145 19.73 -9.50 C:63 19.81 -5.33 C:72 15.73 -17.64 C:19 13.56 -14.49 C:20 17.27 -12.31 C:47 18.51 -11.68 C:37 13.56 -15.87 C:40 14.78 -13.77 C:43 18.51 -15.87 C:19 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:78 16.10 -6.00 C:72 17.39 -5.33 C:75 16.10 -7.40 C:78 18.51 -6.07 C:100 17.27 -8.10 C:61 17.27 -13.77 C:74 18.51 -14.49 C:82 18.51 -10.26 C:50 16.01 -15.87 C:39 14.78 -16.56 C:40 16.01 -14.49 33 1 -1 2 13 2 31 3 -1 32 4 -2 34 5 -2 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -2 13 32 1 28 14 -1 34 15 -1 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', 'C26H46O8', 486.281, 'M', 'np07_1837_1e', 3675, '', '', '1', 47, NULL, NULL),
(14308, '', 'ent-14-Labden-8β,18-diol 13α-O-β-D-glucopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH2:18]O', '[H][C@]23CC[C@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CCC[C@]3(C)CO', '[H][C@:50]23[CH2:21][CH2:45][C@:75]([CH3:24])(O)[C@@H:63]([CH2:20][CH2:45][C@:82]([CH3:23])([CH:145]=[CH2:115])O[C@@H:99]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@:40]2([CH3:17])[CH2:41][CH2:19][CH2:37][C@:39]3([CH3:18])[CH2:72]O', '35 37 H 16.01 -16.81 C:15 19.73 -8.10 C:17 19.22 -13.28 C:16 18.51 -8.85 C:19 13.85 -17.64 C:20 16.01 -13.05 O 20.99 -6.07 O 15.28 -18.96 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:14 19.73 -9.50 C:106 19.81 -5.33 C:18 15.73 -17.64 C:2 13.56 -14.49 C:11 17.27 -12.31 C:12 18.51 -11.68 C:3 13.56 -15.87 C:1 14.78 -13.77 C:7 18.51 -15.87 C:6 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:103 16.10 -6.00 C:104 17.39 -5.33 C:102 16.10 -7.40 C:105 18.51 -6.07 C:101 17.27 -8.10 C:9 17.27 -13.77 C:8 18.51 -14.49 C:13 18.51 -10.26 C:5 16.01 -15.87 C:4 14.78 -16.56 C:10 16.01 -14.49 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -2 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -1 13 32 1 28 14 -1 34 15 -1 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C 19.73 -8.10 C 19.22 -13.28 C 18.51 -8.85 C 13.85 -17.64 C 16.01 -13.05 O 20.99 -6.07 O 15.28 -18.96 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C 19.73 -9.50 C 19.81 -5.33 C 15.73 -17.64 C 13.56 -14.49 C 17.27 -12.31 C 18.51 -11.68 C 13.56 -15.87 C 14.78 -13.77 C 18.51 -15.87 C 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C 16.10 -6.00 C 17.39 -5.33 C 16.10 -7.40 C 18.51 -6.07 C 17.27 -8.10 C 17.27 -13.77 C 18.51 -14.49 C 18.51 -10.26 C 16.01 -15.87 C 14.78 -16.56 C 16.01 -14.49 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -2 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -1 13 32 1 28 14 -1 34 15 -1 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', '35 37 H 16.01 -16.81 C:115 19.73 -8.10 C:24 19.22 -13.28 C:23 18.51 -8.85 C:18 13.85 -17.64 C:17 16.01 -13.05 O 20.99 -6.07 O 15.28 -18.96 O 14.89 -5.33 O 17.39 -3.90 O 14.89 -8.10 O 19.91 -14.49 C:145 19.73 -9.50 C:63 19.81 -5.33 C:72 15.73 -17.64 C:19 13.56 -14.49 C:20 17.27 -12.31 C:45 18.51 -11.68 C:37 13.56 -15.87 C:41 14.78 -13.77 C:45 18.51 -15.87 C:21 17.27 -16.56 O 18.51 -7.47 O 17.27 -9.50 C:78 16.10 -6.00 C:72 17.39 -5.33 C:75 16.10 -7.40 C:78 18.51 -6.07 C:99 17.27 -8.10 C:63 17.27 -13.77 C:75 18.51 -14.49 C:82 18.51 -10.26 C:50 16.01 -15.87 C:39 14.78 -16.56 C:40 16.01 -14.49 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -2 35 6 -2 7 14 1 8 15 1 25 9 -1 26 10 -2 27 11 -2 31 12 -1 13 32 1 28 14 -1 34 15 -1 16 19 1 16 20 1 17 18 1 30 17 -2 18 32 1 19 34 1 20 35 1 21 22 1 21 31 1 22 33 1 23 28 1 23 29 1 29 24 -1 32 24 -1 25 26 1 25 27 1 26 28 1 27 29 1 30 31 1 30 35 1 33 34 1 33 35 1', 'C26H46O8', 486.281, 'M', 'np07_1837_1f', 3675, '', '', '1', 47, NULL, NULL),
(14309, '', 'ent-14-Labden-8,19-diol 13α-O-r-L-rhamnopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@]2(C)CCC[C@@]3(C)CO', '[H][C@:58]23[CH2:19][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:81]([CH3:23])([CH:144]=[CH2:116])O[C@@H:97]1O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:73](O)[C@H:73]1O)[C@:40]2([CH3:17])[CH2:41][CH2:19][CH2:37][C@@:40]3([CH3:28])[CH2:65]O', '34 36 H 16.51 -16.81 C:15 20.23 -8.10 C:106 20.31 -5.33 C:17 19.72 -13.28 C:16 19.01 -8.85 C:18 16.23 -17.64 C:20 16.51 -13.05 O 14.79 -18.97 O 17.89 -3.90 O 15.39 -5.33 O 15.39 -8.10 O 20.41 -14.49 C:14 20.23 -9.50 C:19 14.35 -17.64 C:2 14.06 -14.49 C:11 17.77 -12.31 C:12 19.01 -11.68 C:3 14.06 -15.87 C:1 15.28 -13.77 C:7 19.01 -15.87 C:6 17.77 -16.56 O 19.01 -7.47 O 17.77 -9.50 C:105 19.01 -6.07 C:104 17.89 -5.33 C:103 16.60 -6.00 C:102 16.60 -7.40 C:101 17.77 -8.10 C:9 17.77 -13.77 C:8 19.01 -14.49 C:13 19.01 -10.26 C:5 16.51 -15.87 C:4 15.28 -16.56 C:10 16.51 -14.49 32 1 -1 2 13 2 24 3 -2 30 4 -1 31 5 -2 33 6 -1 34 7 -2 8 14 1 25 9 -1 26 10 -2 27 11 -2 30 12 -2 13 31 1 33 14 -2 15 18 1 15 19 1 16 17 1 29 16 -2 17 31 1 18 33 1 19 34 1 20 21 1 20 30 1 21 32 1 22 24 1 22 28 1 28 23 -1 31 23 -1 24 25 1 25 26 1 26 27 1 27 28 1 29 30 1 29 34 1 32 33 1 32 34 1', '34 36 H 16.51 -16.81 C 20.23 -8.10 C 20.31 -5.33 C 19.72 -13.28 C 19.01 -8.85 C 16.23 -17.64 C 16.51 -13.05 O 14.79 -18.97 O 17.89 -3.90 O 15.39 -5.33 O 15.39 -8.10 O 20.41 -14.49 C 20.23 -9.50 C 14.35 -17.64 C 14.06 -14.49 C 17.77 -12.31 C 19.01 -11.68 C 14.06 -15.87 C 15.28 -13.77 C 19.01 -15.87 C 17.77 -16.56 O 19.01 -7.47 O 17.77 -9.50 C 19.01 -6.07 C 17.89 -5.33 C 16.60 -6.00 C 16.60 -7.40 C 17.77 -8.10 C 17.77 -13.77 C 19.01 -14.49 C 19.01 -10.26 C 16.51 -15.87 C 15.28 -16.56 C 16.51 -14.49 32 1 -1 2 13 2 24 3 -2 30 4 -1 31 5 -2 33 6 -1 34 7 -2 8 14 1 25 9 -1 26 10 -2 27 11 -2 30 12 -2 13 31 1 33 14 -2 15 18 1 15 19 1 16 17 1 29 16 -2 17 31 1 18 33 1 19 34 1 20 21 1 20 30 1 21 32 1 22 24 1 22 28 1 28 23 -1 31 23 -1 24 25 1 25 26 1 26 27 1 27 28 1 29 30 1 29 34 1 32 33 1 32 34 1', '34 36 H 16.51 -16.81 C:116 20.23 -8.10 C:18 20.31 -5.33 C:31 19.72 -13.28 C:23 19.01 -8.85 C:28 16.23 -17.64 C:17 16.51 -13.05 O 14.79 -18.97 O 17.89 -3.90 O 15.39 -5.33 O 15.39 -8.10 O 20.41 -14.49 C:144 20.23 -9.50 C:65 14.35 -17.64 C:19 14.06 -14.49 C:20 17.77 -12.31 C:47 19.01 -11.68 C:37 14.06 -15.87 C:41 15.28 -13.77 C:44 19.01 -15.87 C:19 17.77 -16.56 O 19.01 -7.47 O 17.77 -9.50 C:70 19.01 -6.07 C:74 17.89 -5.33 C:73 16.60 -6.00 C:73 16.60 -7.40 C:97 17.77 -8.10 C:61 17.77 -13.77 C:74 19.01 -14.49 C:81 19.01 -10.26 C:58 16.51 -15.87 C:40 15.28 -16.56 C:40 16.51 -14.49 32 1 -1 2 13 2 24 3 -2 30 4 -1 31 5 -2 33 6 -1 34 7 -2 8 14 1 25 9 -1 26 10 -2 27 11 -2 30 12 -2 13 31 1 33 14 -2 15 18 1 15 19 1 16 17 1 29 16 -2 17 31 1 18 33 1 19 34 1 20 21 1 20 30 1 21 32 1 22 24 1 22 28 1 28 23 -1 31 23 -1 24 25 1 25 26 1 26 27 1 27 28 1 29 30 1 29 34 1 32 33 1 32 34 1', 'C26H46O7', 470.282, 'M', 'np07_1837_1g', 3675, '', '', '1', 47, NULL, NULL),
(14310, '', 'ent-14-Labden-8-ol 13r-O-r-L-rhamnopyranosyl-19-O-r-L-rhamnopyranoside', '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])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:18])[CH2:19]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@]12CC[C@](C)(O)[C@@H](CC[C@@](C)(O)C=C)[C@]1(C)CCC[C@@]2(C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O', '[H][C@:58]12[CH2:21][CH2:46][C@:75]([CH3:24])(O)[C@@H:63]([CH2:22][CH2:47][C@@:74]([CH3:27])(O)[CH:147]=[CH2:112])[C@:41]1([CH3:17])[CH2:41][CH2:19][CH2:38][C@@:39]2([CH3:28])[CH2:74]O[C@@H:105]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]3O', '35 37 H 18.55 -12.19 C:15 22.28 -3.46 C:16 21.06 -4.21 C:17 21.77 -8.66 C:18 18.27 -13.04 C:20 18.55 -8.43 O 16.96 -19.41 O 12.09 -15.74 O 12.87 -18.40 O 14.03 -13.71 O 19.82 -4.86 O 22.46 -9.87 C:14 22.28 -4.86 C:106 15.60 -19.08 C:2 16.12 -9.87 C:11 19.82 -7.69 C:3 16.12 -11.26 C:1 17.33 -9.15 C:12 21.06 -7.05 C:7 21.06 -11.26 C:6 19.82 -11.95 C:19 16.36 -13.04 O 16.75 -14.38 O 16.18 -16.74 C:103 13.45 -16.07 C:104 13.85 -17.41 C:102 14.43 -15.06 C:105 15.21 -17.74 C:101 15.79 -15.39 C:9 19.82 -9.15 C:13 21.06 -5.63 C:8 21.06 -9.87 C:5 18.55 -11.26 C:4 17.33 -11.95 C:10 18.55 -9.87 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -1 35 6 -2 7 14 1 25 8 -2 26 9 -1 27 10 -1 31 11 -1 32 12 -1 13 31 1 28 14 -2 15 17 1 15 18 1 16 19 1 30 16 -2 17 34 1 18 35 1 19 31 1 20 21 1 20 32 1 21 33 1 22 23 1 34 22 -2 29 23 -2 24 28 1 24 29 1 25 26 1 25 27 1 26 28 1 27 29 1 30 32 1 30 35 1 33 34 1 33 35 1', '35 37 H 18.55 -12.19 C 22.28 -3.46 C 21.06 -4.21 C 21.77 -8.66 C 18.27 -13.04 C 18.55 -8.43 O 16.96 -19.41 O 12.09 -15.74 O 12.87 -18.40 O 14.03 -13.71 O 19.82 -4.86 O 22.46 -9.87 C 22.28 -4.86 C 15.60 -19.08 C 16.12 -9.87 C 19.82 -7.69 C 16.12 -11.26 C 17.33 -9.15 C 21.06 -7.05 C 21.06 -11.26 C 19.82 -11.95 C 16.36 -13.04 O 16.75 -14.38 O 16.18 -16.74 C 13.45 -16.07 C 13.85 -17.41 C 14.43 -15.06 C 15.21 -17.74 C 15.79 -15.39 C 19.82 -9.15 C 21.06 -5.63 C 21.06 -9.87 C 18.55 -11.26 C 17.33 -11.95 C 18.55 -9.87 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -1 35 6 -2 7 14 1 25 8 -2 26 9 -1 27 10 -1 31 11 -1 32 12 -1 13 31 1 28 14 -2 15 17 1 15 18 1 16 19 1 30 16 -2 17 34 1 18 35 1 19 31 1 20 21 1 20 32 1 21 33 1 22 23 1 34 22 -2 29 23 -2 24 28 1 24 29 1 25 26 1 25 27 1 26 28 1 27 29 1 30 32 1 30 35 1 33 34 1 33 35 1', '35 37 H 18.55 -12.19 C:112 22.28 -3.46 C:27 21.06 -4.21 C:24 21.77 -8.66 C:28 18.27 -13.04 C:17 18.55 -8.43 O 16.96 -19.41 O 12.09 -15.74 O 12.87 -18.40 O 14.03 -13.71 O 19.82 -4.86 O 22.46 -9.87 C:147 22.28 -4.86 C:63 15.60 -19.08 C:19 16.12 -9.87 C:22 19.82 -7.69 C:38 16.12 -11.26 C:41 17.33 -9.15 C:47 21.06 -7.05 C:46 21.06 -11.26 C:21 19.82 -11.95 C:74 16.36 -13.04 O 16.75 -14.38 O 16.18 -16.74 C:78 13.45 -16.07 C:72 13.85 -17.41 C:75 14.43 -15.06 C:78 15.21 -17.74 C:105 15.79 -15.39 C:63 19.82 -9.15 C:74 21.06 -5.63 C:75 21.06 -9.87 C:58 18.55 -11.26 C:39 17.33 -11.95 C:41 18.55 -9.87 33 1 -1 2 13 2 31 3 -2 32 4 -2 34 5 -1 35 6 -2 7 14 1 25 8 -2 26 9 -1 27 10 -1 31 11 -1 32 12 -1 13 31 1 28 14 -2 15 17 1 15 18 1 16 19 1 30 16 -2 17 34 1 18 35 1 19 31 1 20 21 1 20 32 1 21 33 1 22 23 1 34 22 -2 29 23 -2 24 28 1 24 29 1 25 26 1 25 27 1 26 28 1 27 29 1 30 32 1 30 35 1 33 34 1 33 35 1', 'C26H46O8', 486.281, 'M', 'np07_1837_1i', 3675, '', '', '1', 47, NULL, NULL),
(14311, '', 'ent-14-Labden-8 ,13r-diol 19-O-β-D-glucopyranoside', '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])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:18])[CH2:19]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@]12CC[C@@](C)(O)[C@@H](CC[C@@](C)(O)C=C)[C@]1(C)CCC[C@@]2(C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O', '[H][C@:58]12[CH2:20][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:21][CH2:48][C@@:74]([CH3:27])(O)[CH:146]=[CH2:112])[C@:40]1([CH3:16])[CH2:41][CH2:19][CH2:37][C@@:39]2([CH3:28])[CH2:74]O[C@@H:105]3O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]3O', '35 37 H 18.55 -12.19 C:15 22.28 -3.46 C:16 21.06 -4.21 C:17 21.77 -8.66 C:18 18.27 -13.04 C:20 18.55 -8.43 O 16.96 -19.41 O 12.09 -15.74 O 12.87 -18.40 O 14.03 -13.71 O 19.82 -4.86 O 22.46 -9.87 C:14 22.28 -4.86 C:106 15.60 -19.08 C:2 16.12 -9.87 C:11 19.82 -7.69 C:3 16.12 -11.26 C:1 17.33 -9.15 C:12 21.06 -7.05 C:7 21.06 -11.26 C:6 19.82 -11.95 C:19 16.36 -13.04 O 16.75 -14.38 O 16.18 -16.74 C:103 13.45 -16.07 C:104 13.85 -17.41 C:102 14.43 -15.06 C:105 15.21 -17.74 C:101 15.79 -15.39 C:9 19.82 -9.15 C:13 21.06 -5.63 C:8 21.06 -9.87 C:5 18.55 -11.26 C:4 17.33 -11.95 C:10 18.55 -9.87 33 1 -1 2 13 2 31 3 -2 32 4 -1 34 5 -1 35 6 -2 7 14 1 25 8 -2 26 9 -1 27 10 -1 31 11 -1 32 12 -2 13 31 1 28 14 -2 15 17 1 15 18 1 16 19 1 30 16 -2 17 34 1 18 35 1 19 31 1 20 21 1 20 32 1 21 33 1 22 23 1 34 22 -2 29 23 -2 24 28 1 24 29 1 25 26 1 25 27 1 26 28 1 27 29 1 30 32 1 30 35 1 33 34 1 33 35 1', '35 37 H 18.55 -12.19 C 22.28 -3.46 C 21.06 -4.21 C 21.77 -8.66 C 18.27 -13.04 C 18.55 -8.43 O 16.96 -19.41 O 12.09 -15.74 O 12.87 -18.40 O 14.03 -13.71 O 19.82 -4.86 O 22.46 -9.87 C 22.28 -4.86 C 15.60 -19.08 C 16.12 -9.87 C 19.82 -7.69 C 16.12 -11.26 C 17.33 -9.15 C 21.06 -7.05 C 21.06 -11.26 C 19.82 -11.95 C 16.36 -13.04 O 16.75 -14.38 O 16.18 -16.74 C 13.45 -16.07 C 13.85 -17.41 C 14.43 -15.06 C 15.21 -17.74 C 15.79 -15.39 C 19.82 -9.15 C 21.06 -5.63 C 21.06 -9.87 C 18.55 -11.26 C 17.33 -11.95 C 18.55 -9.87 33 1 -1 2 13 2 31 3 -2 32 4 -1 34 5 -1 35 6 -2 7 14 1 25 8 -2 26 9 -1 27 10 -1 31 11 -1 32 12 -2 13 31 1 28 14 -2 15 17 1 15 18 1 16 19 1 30 16 -2 17 34 1 18 35 1 19 31 1 20 21 1 20 32 1 21 33 1 22 23 1 34 22 -2 29 23 -2 24 28 1 24 29 1 25 26 1 25 27 1 26 28 1 27 29 1 30 32 1 30 35 1 33 34 1 33 35 1', '35 37 H 18.55 -12.19 C:112 22.28 -3.46 C:27 21.06 -4.21 C:31 21.77 -8.66 C:28 18.27 -13.04 C:16 18.55 -8.43 O 16.96 -19.41 O 12.09 -15.74 O 12.87 -18.40 O 14.03 -13.71 O 19.82 -4.86 O 22.46 -9.87 C:146 22.28 -4.86 C:63 15.60 -19.08 C:19 16.12 -9.87 C:21 19.82 -7.69 C:37 16.12 -11.26 C:41 17.33 -9.15 C:48 21.06 -7.05 C:44 21.06 -11.26 C:20 19.82 -11.95 C:74 16.36 -13.04 O 16.75 -14.38 O 16.18 -16.74 C:78 13.45 -16.07 C:72 13.85 -17.41 C:75 14.43 -15.06 C:78 15.21 -17.74 C:105 15.79 -15.39 C:61 19.82 -9.15 C:74 21.06 -5.63 C:74 21.06 -9.87 C:58 18.55 -11.26 C:39 17.33 -11.95 C:40 18.55 -9.87 33 1 -1 2 13 2 31 3 -2 32 4 -1 34 5 -1 35 6 -2 7 14 1 25 8 -2 26 9 -1 27 10 -1 31 11 -1 32 12 -2 13 31 1 28 14 -2 15 17 1 15 18 1 16 19 1 30 16 -2 17 34 1 18 35 1 19 31 1 20 21 1 20 32 1 21 33 1 22 23 1 34 22 -2 29 23 -2 24 28 1 24 29 1 25 26 1 25 27 1 26 28 1 27 29 1 30 32 1 30 35 1 33 34 1 33 35 1', 'C26H46O8', 486.281, 'M', 'np07_1837_1j', 3675, '', '', '1', 47, NULL, NULL),
(14312, '', 'ent-14-Labden-8β,19-diol 13α-O-[ -D-quinovopyranosyl-(1f2)-α-L-rhamnopyranoside]', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH3:206])[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH2:19]O', '[H][C@]34CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@]3(C)CCC[C@@]4(C)CO', '[H][C@:58]34[CH2:19][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:81]([CH3:23])([CH:144]=[CH2:116])O[C@@H:96]1O[C@@H:70]([CH3:18])[C@H:75](O)[C@@H:72](O)[C@H:84]1O[C@@H:107]2O[C@H:73]([CH3:18])[C@@H:77](O)[C@H:78](O)[C@H:76]2O)[C@:40]3([CH3:17])[CH2:41][CH2:19][CH2:37][C@@:40]4([CH3:28])[CH2:65]O', '44 47 H 18.26 -16.85 C:15 21.97 -8.08 C:206 14.76 -3.88 C:106 21.97 -5.28 C:17 21.46 -13.30 C:16 20.75 -8.85 C:18 17.98 -17.68 C:20 18.26 -13.07 O 16.53 -19.00 O 12.31 -5.28 O 19.63 -3.88 O 12.31 -8.08 O 14.76 -9.47 O 17.15 -5.28 O 22.15 -14.50 C:14 21.97 -9.47 C:19 16.09 -17.68 C:2 15.80 -14.50 C:11 19.51 -12.32 C:12 20.75 -11.68 C:3 15.80 -15.90 C:1 17.02 -13.78 C:7 20.75 -15.90 C:6 19.51 -16.59 O 15.94 -5.99 O 20.75 -7.45 O 17.15 -8.08 O 19.51 -9.47 C:205 14.76 -5.28 C:105 20.75 -6.06 C:204 13.54 -5.99 C:104 19.63 -5.28 C:203 13.54 -7.38 C:202 14.76 -8.08 C:103 18.35 -5.99 C:201 15.94 -7.38 C:101 19.51 -8.08 C:102 18.35 -7.38 C:9 19.51 -13.78 C:8 20.75 -14.50 C:13 20.75 -10.27 C:5 18.26 -15.90 C:4 17.02 -16.59 C:10 18.26 -14.50 42 1 -1 2 16 2 29 3 -1 30 4 -2 40 5 -1 41 6 -2 43 7 -1 44 8 -2 9 17 1 31 10 -2 32 11 -1 33 12 -1 34 13 -2 35 14 -2 40 15 -2 16 41 1 43 17 -2 18 21 1 18 22 1 19 20 1 39 19 -2 20 41 1 21 43 1 22 44 1 23 24 1 23 40 1 24 42 1 25 29 1 25 36 1 26 30 1 26 37 1 36 27 -1 38 27 -2 37 28 -1 41 28 -1 29 31 1 30 32 1 31 33 1 32 35 1 33 34 1 34 36 1 35 38 1 37 38 1 39 40 1 39 44 1 42 43 1 42 44 1', '44 47 H 18.26 -16.85 C 21.97 -8.08 C 14.76 -3.88 C 21.97 -5.28 C 21.46 -13.30 C 20.75 -8.85 C 17.98 -17.68 C 18.26 -13.07 O 16.53 -19.00 O 12.31 -5.28 O 19.63 -3.88 O 12.31 -8.08 O 14.76 -9.47 O 17.15 -5.28 O 22.15 -14.50 C 21.97 -9.47 C 16.09 -17.68 C 15.80 -14.50 C 19.51 -12.32 C 20.75 -11.68 C 15.80 -15.90 C 17.02 -13.78 C 20.75 -15.90 C 19.51 -16.59 O 15.94 -5.99 O 20.75 -7.45 O 17.15 -8.08 O 19.51 -9.47 C 14.76 -5.28 C 20.75 -6.06 C 13.54 -5.99 C 19.63 -5.28 C 13.54 -7.38 C 14.76 -8.08 C 18.35 -5.99 C 15.94 -7.38 C 19.51 -8.08 C 18.35 -7.38 C 19.51 -13.78 C 20.75 -14.50 C 20.75 -10.27 C 18.26 -15.90 C 17.02 -16.59 C 18.26 -14.50 42 1 -1 2 16 2 29 3 -1 30 4 -2 40 5 -1 41 6 -2 43 7 -1 44 8 -2 9 17 1 31 10 -2 32 11 -1 33 12 -1 34 13 -2 35 14 -2 40 15 -2 16 41 1 43 17 -2 18 21 1 18 22 1 19 20 1 39 19 -2 20 41 1 21 43 1 22 44 1 23 24 1 23 40 1 24 42 1 25 29 1 25 36 1 26 30 1 26 37 1 36 27 -1 38 27 -2 37 28 -1 41 28 -1 29 31 1 30 32 1 31 33 1 32 35 1 33 34 1 34 36 1 35 38 1 37 38 1 39 40 1 39 44 1 42 43 1 42 44 1', '44 47 H 18.26 -16.85 C:116 21.97 -8.08 C:18 14.76 -3.88 C:18 21.97 -5.28 C:31 21.46 -13.30 C:23 20.75 -8.85 C:28 17.98 -17.68 C:17 18.26 -13.07 O 16.53 -19.00 O 12.31 -5.28 O 19.63 -3.88 O 12.31 -8.08 O 14.76 -9.47 O 17.15 -5.28 O 22.15 -14.50 C:144 21.97 -9.47 C:65 16.09 -17.68 C:19 15.80 -14.50 C:20 19.51 -12.32 C:47 20.75 -11.68 C:37 15.80 -15.90 C:41 17.02 -13.78 C:44 20.75 -15.90 C:19 19.51 -16.59 O 15.94 -5.99 O 20.75 -7.45 O 17.15 -8.08 O 19.51 -9.47 C:73 14.76 -5.28 C:70 20.75 -6.06 C:77 13.54 -5.99 C:75 19.63 -5.28 C:78 13.54 -7.38 C:76 14.76 -8.08 C:72 18.35 -5.99 C:107 15.94 -7.38 C:96 19.51 -8.08 C:84 18.35 -7.38 C:61 19.51 -13.78 C:74 20.75 -14.50 C:81 20.75 -10.27 C:58 18.26 -15.90 C:40 17.02 -16.59 C:40 18.26 -14.50 42 1 -1 2 16 2 29 3 -1 30 4 -2 40 5 -1 41 6 -2 43 7 -1 44 8 -2 9 17 1 31 10 -2 32 11 -1 33 12 -1 34 13 -2 35 14 -2 40 15 -2 16 41 1 43 17 -2 18 21 1 18 22 1 19 20 1 39 19 -2 20 41 1 21 43 1 22 44 1 23 24 1 23 40 1 24 42 1 25 29 1 25 36 1 26 30 1 26 37 1 36 27 -1 38 27 -2 37 28 -1 41 28 -1 29 31 1 30 32 1 31 33 1 32 35 1 33 34 1 34 36 1 35 38 1 37 38 1 39 40 1 39 44 1 42 43 1 42 44 1', 'C32H56O11', 616.344, 'M', 'np07_1837_1h', 3675, '', '', '1', 47, NULL, NULL),
(14313, '', 'ent-14-Labden-8β-ol 13α-O-β-D-glucopyranosyl-19-O-r-L-rhamnopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:201]1O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O[C@@H:101]4O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]4O', '[H][C@]23CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CCC[C@@]3(C)CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O', '[H][C@:58]23[CH2:20][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:21][CH2:47][C@:82]([CH3:23])([CH:145]=[CH2:116])O[C@@H:100]1O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]1O)[C@:40]2([CH3:16])[CH2:41][CH2:19][CH2:38][C@@:39]3([CH3:28])[CH2:72]O[C@@H:102]4O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:73](O)[C@H:72]4O', '45 48 H 18.03 -14.42 C:15 21.75 -5.71 C:106 15.09 -21.30 C:17 21.24 -10.89 C:16 20.53 -6.45 C:18 17.75 -15.27 C:20 18.03 -10.66 O 22.96 -3.60 O 12.36 -20.63 O 11.58 -17.97 O 16.88 -2.89 O 19.29 -1.50 O 13.52 -15.94 O 16.88 -5.71 O 21.93 -12.10 C:14 21.75 -7.10 C:206 21.75 -2.89 C:2 15.60 -12.10 C:11 19.29 -9.92 C:12 20.53 -9.28 C:3 15.60 -13.49 C:7 20.53 -13.49 C:1 16.81 -11.38 C:6 19.29 -14.18 C:19 15.84 -15.27 O 16.23 -16.61 O 15.66 -18.97 O 20.53 -5.00 O 19.29 -7.10 C:105 14.70 -19.97 C:104 13.34 -19.64 C:103 12.94 -18.30 C:203 18.09 -3.60 C:204 19.29 -2.89 C:102 13.92 -17.29 C:202 18.09 -5.00 C:205 20.53 -3.60 C:101 15.28 -17.62 C:201 19.29 -5.71 C:9 19.29 -11.38 C:8 20.53 -12.10 C:13 20.53 -7.87 C:5 18.03 -13.49 C:4 16.81 -14.18 C:10 18.03 -12.10 43 1 -1 2 16 2 30 3 -1 41 4 -1 42 5 -2 44 6 -1 45 7 -2 8 17 1 31 9 -2 32 10 -1 33 11 -1 34 12 -2 35 13 -1 36 14 -2 41 15 -2 16 42 1 37 17 -1 18 21 1 18 23 1 19 20 1 40 19 -2 20 42 1 21 44 1 22 24 1 22 41 1 23 45 1 24 43 1 25 26 1 44 25 -2 38 26 -2 27 30 1 27 38 1 28 37 1 28 39 1 39 29 -1 42 29 -1 30 31 1 31 32 1 32 35 1 33 34 1 33 36 1 34 37 1 35 38 1 36 39 1 40 41 1 40 45 1 43 44 1 43 45 1', '45 48 H 18.03 -14.42 C 21.75 -5.71 C 15.09 -21.30 C 21.24 -10.89 C 20.53 -6.45 C 17.75 -15.27 C 18.03 -10.66 O 22.96 -3.60 O 12.36 -20.63 O 11.58 -17.97 O 16.88 -2.89 O 19.29 -1.50 O 13.52 -15.94 O 16.88 -5.71 O 21.93 -12.10 C 21.75 -7.10 C 21.75 -2.89 C 15.60 -12.10 C 19.29 -9.92 C 20.53 -9.28 C 15.60 -13.49 C 20.53 -13.49 C 16.81 -11.38 C 19.29 -14.18 C 15.84 -15.27 O 16.23 -16.61 O 15.66 -18.97 O 20.53 -5.00 O 19.29 -7.10 C 14.70 -19.97 C 13.34 -19.64 C 12.94 -18.30 C 18.09 -3.60 C 19.29 -2.89 C 13.92 -17.29 C 18.09 -5.00 C 20.53 -3.60 C 15.28 -17.62 C 19.29 -5.71 C 19.29 -11.38 C 20.53 -12.10 C 20.53 -7.87 C 18.03 -13.49 C 16.81 -14.18 C 18.03 -12.10 43 1 -1 2 16 2 30 3 -1 41 4 -1 42 5 -2 44 6 -1 45 7 -2 8 17 1 31 9 -2 32 10 -1 33 11 -1 34 12 -2 35 13 -1 36 14 -2 41 15 -2 16 42 1 37 17 -1 18 21 1 18 23 1 19 20 1 40 19 -2 20 42 1 21 44 1 22 24 1 22 41 1 23 45 1 24 43 1 25 26 1 44 25 -2 38 26 -2 27 30 1 27 38 1 28 37 1 28 39 1 39 29 -1 42 29 -1 30 31 1 31 32 1 32 35 1 33 34 1 33 36 1 34 37 1 35 38 1 36 39 1 40 41 1 40 45 1 43 44 1 43 45 1', '45 48 H 18.03 -14.42 C:116 21.75 -5.71 C:18 15.09 -21.30 C:31 21.24 -10.89 C:23 20.53 -6.45 C:28 17.75 -15.27 C:16 18.03 -10.66 O 22.96 -3.60 O 12.36 -20.63 O 11.58 -17.97 O 16.88 -2.89 O 19.29 -1.50 O 13.52 -15.94 O 16.88 -5.71 O 21.93 -12.10 C:145 21.75 -7.10 C:63 21.75 -2.89 C:19 15.60 -12.10 C:21 19.29 -9.92 C:47 20.53 -9.28 C:38 15.60 -13.49 C:44 20.53 -13.49 C:41 16.81 -11.38 C:20 19.29 -14.18 C:72 15.84 -15.27 O 16.23 -16.61 O 15.66 -18.97 O 20.53 -5.00 O 19.29 -7.10 C:70 14.70 -19.97 C:74 13.34 -19.64 C:73 12.94 -18.30 C:78 18.09 -3.60 C:72 19.29 -2.89 C:72 13.92 -17.29 C:75 18.09 -5.00 C:78 20.53 -3.60 C:102 15.28 -17.62 C:100 19.29 -5.71 C:61 19.29 -11.38 C:74 20.53 -12.10 C:82 20.53 -7.87 C:58 18.03 -13.49 C:39 16.81 -14.18 C:40 18.03 -12.10 43 1 -1 2 16 2 30 3 -1 41 4 -1 42 5 -2 44 6 -1 45 7 -2 8 17 1 31 9 -2 32 10 -1 33 11 -1 34 12 -2 35 13 -1 36 14 -2 41 15 -2 16 42 1 37 17 -1 18 21 1 18 23 1 19 20 1 40 19 -2 20 42 1 21 44 1 22 24 1 22 41 1 23 45 1 24 43 1 25 26 1 44 25 -2 38 26 -2 27 30 1 27 38 1 28 37 1 28 39 1 39 29 -1 42 29 -1 30 31 1 31 32 1 32 35 1 33 34 1 33 36 1 34 37 1 35 38 1 36 39 1 40 41 1 40 45 1 43 44 1 43 45 1', 'C32H56O12', 632.343, 'M', 'np07_1837_1k', 3675, '', '', '1', 47, NULL, NULL),
(14314, '', 'ent-14-Labden-8β-ol 13r-O-α-L-rhamnopyranosyl-19-O-α-Lrhamnopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:201]1O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]1O)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O[C@@H:101]4O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]4O', '[H][C@]23CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@]2(C)CCC[C@@]3(C)CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O', '[H][C@:58]23[CH2:20][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:81]([CH3:23])([CH:144]=[CH2:116])O[C@@H:102]1O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:73](O)[C@H:73]1O)[C@:40]2([CH3:16])[CH2:41][CH2:19][CH2:38][C@@:39]3([CH3:28])[CH2:72]O[C@@H:97]4O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:73](O)[C@H:72]4O', '44 47 H 18.54 -14.42 C:15 22.26 -5.71 C:106 15.60 -21.30 C:206 22.26 -2.89 C:17 21.75 -10.89 C:16 21.04 -6.45 C:18 18.26 -15.27 C:20 18.54 -10.66 O 12.87 -20.63 O 19.80 -1.50 O 12.09 -17.97 O 17.39 -2.89 O 14.03 -15.94 O 17.39 -5.71 O 22.44 -12.10 C:14 22.26 -7.10 C:2 16.11 -12.10 C:11 19.80 -9.92 C:3 16.11 -13.49 C:1 17.32 -11.38 C:12 21.04 -9.28 C:7 21.04 -13.49 C:6 19.80 -14.18 C:19 16.35 -15.27 O 16.74 -16.61 O 16.17 -18.97 O 21.04 -5.00 O 19.80 -7.10 C:105 15.21 -19.97 C:205 21.04 -3.60 C:104 13.85 -19.64 C:204 19.80 -2.89 C:103 13.45 -18.30 C:203 18.60 -3.60 C:102 14.43 -17.29 C:202 18.60 -5.00 C:101 15.79 -17.62 C:201 19.80 -5.71 C:9 19.80 -11.38 C:8 21.04 -12.10 C:13 21.04 -7.87 C:5 18.54 -13.49 C:4 17.32 -14.18 C:10 18.54 -12.10 42 1 -1 2 16 2 29 3 -1 30 4 -2 40 5 -1 41 6 -2 43 7 -1 44 8 -2 31 9 -2 32 10 -1 33 11 -1 34 12 -2 35 13 -1 36 14 -2 40 15 -2 16 41 1 17 19 1 17 20 1 18 21 1 39 18 -2 19 43 1 20 44 1 21 41 1 22 23 1 22 40 1 23 42 1 24 25 1 43 24 -2 37 25 -2 26 29 1 26 37 1 27 30 1 27 38 1 38 28 -1 41 28 -1 29 31 1 30 32 1 31 33 1 32 34 1 33 35 1 34 36 1 35 37 1 36 38 1 39 40 1 39 44 1 42 43 1 42 44 1', '44 47 H 18.54 -14.42 C 22.26 -5.71 C 15.60 -21.30 C 22.26 -2.89 C 21.75 -10.89 C 21.04 -6.45 C 18.26 -15.27 C 18.54 -10.66 O 12.87 -20.63 O 19.80 -1.50 O 12.09 -17.97 O 17.39 -2.89 O 14.03 -15.94 O 17.39 -5.71 O 22.44 -12.10 C 22.26 -7.10 C 16.11 -12.10 C 19.80 -9.92 C 16.11 -13.49 C 17.32 -11.38 C 21.04 -9.28 C 21.04 -13.49 C 19.80 -14.18 C 16.35 -15.27 O 16.74 -16.61 O 16.17 -18.97 O 21.04 -5.00 O 19.80 -7.10 C 15.21 -19.97 C 21.04 -3.60 C 13.85 -19.64 C 19.80 -2.89 C 13.45 -18.30 C 18.60 -3.60 C 14.43 -17.29 C 18.60 -5.00 C 15.79 -17.62 C 19.80 -5.71 C 19.80 -11.38 C 21.04 -12.10 C 21.04 -7.87 C 18.54 -13.49 C 17.32 -14.18 C 18.54 -12.10 42 1 -1 2 16 2 29 3 -1 30 4 -2 40 5 -1 41 6 -2 43 7 -1 44 8 -2 31 9 -2 32 10 -1 33 11 -1 34 12 -2 35 13 -1 36 14 -2 40 15 -2 16 41 1 17 19 1 17 20 1 18 21 1 39 18 -2 19 43 1 20 44 1 21 41 1 22 23 1 22 40 1 23 42 1 24 25 1 43 24 -2 37 25 -2 26 29 1 26 37 1 27 30 1 27 38 1 38 28 -1 41 28 -1 29 31 1 30 32 1 31 33 1 32 34 1 33 35 1 34 36 1 35 37 1 36 38 1 39 40 1 39 44 1 42 43 1 42 44 1', '44 47 H 18.54 -14.42 C:116 22.26 -5.71 C:18 15.60 -21.30 C:18 22.26 -2.89 C:31 21.75 -10.89 C:23 21.04 -6.45 C:28 18.26 -15.27 C:16 18.54 -10.66 O 12.87 -20.63 O 19.80 -1.50 O 12.09 -17.97 O 17.39 -2.89 O 14.03 -15.94 O 17.39 -5.71 O 22.44 -12.10 C:144 22.26 -7.10 C:19 16.11 -12.10 C:20 19.80 -9.92 C:38 16.11 -13.49 C:41 17.32 -11.38 C:47 21.04 -9.28 C:44 21.04 -13.49 C:20 19.80 -14.18 C:72 16.35 -15.27 O 16.74 -16.61 O 16.17 -18.97 O 21.04 -5.00 O 19.80 -7.10 C:70 15.21 -19.97 C:70 21.04 -3.60 C:74 13.85 -19.64 C:74 19.80 -2.89 C:73 13.45 -18.30 C:73 18.60 -3.60 C:72 14.43 -17.29 C:73 18.60 -5.00 C:97 15.79 -17.62 C:102 19.80 -5.71 C:61 19.80 -11.38 C:74 21.04 -12.10 C:81 21.04 -7.87 C:58 18.54 -13.49 C:39 17.32 -14.18 C:40 18.54 -12.10 42 1 -1 2 16 2 29 3 -1 30 4 -2 40 5 -1 41 6 -2 43 7 -1 44 8 -2 31 9 -2 32 10 -1 33 11 -1 34 12 -2 35 13 -1 36 14 -2 40 15 -2 16 41 1 17 19 1 17 20 1 18 21 1 39 18 -2 19 43 1 20 44 1 21 41 1 22 23 1 22 40 1 23 42 1 24 25 1 43 24 -2 37 25 -2 26 29 1 26 37 1 27 30 1 27 38 1 38 28 -1 41 28 -1 29 31 1 30 32 1 31 33 1 32 34 1 33 35 1 34 36 1 35 37 1 36 38 1 39 40 1 39 44 1 42 43 1 42 44 1', 'C32H56O11', 616.344, 'M', 'np07_1837_1l', 3675, '', '', '1', 47, 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
(14315, '', 'ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-r-Lrhamnopyranosyl]-19-O-α-L-rhamnopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH3:206])[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH2:19]O[C@@H:301]5O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]5O', '[H][C@]34CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@]3(C)CCC[C@@]4(C)CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O', '[H][C@:58]34[CH2:20][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:81]([CH3:23])([CH:144]=[CH2:116])O[C@@H:96]1O[C@@H:70]([CH3:18])[C@H:75](O)[C@@H:72](O)[C@H:84]1O[C@@H:107]2O[C@H:73]([CH3:18])[C@@H:77](O)[C@H:78](O)[C@H:76]2O)[C@:40]3([CH3:16])[CH2:41][CH2:19][CH2:38][C@@:39]4([CH3:28])[CH2:72]O[C@@H:102]5O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:73](O)[C@H:72]5O', '54 58 H 18.46 -14.42 C:15 22.19 -5.67 C:306 12.13 -18.10 C:206 14.96 -1.47 C:106 22.19 -2.87 C:17 21.68 -10.88 C:16 20.96 -6.44 C:18 18.18 -15.25 C:20 18.46 -10.65 O 13.02 -20.76 O 12.51 -2.87 O 19.84 -1.47 O 15.75 -21.33 O 12.51 -5.67 O 17.61 -19.23 O 14.96 -7.06 O 17.35 -2.87 O 22.37 -12.07 C:14 22.19 -7.06 C:2 16.00 -12.07 C:11 19.72 -9.90 C:3 16.00 -13.46 C:12 20.96 -9.26 C:1 17.22 -11.36 C:7 20.96 -13.46 C:6 19.72 -14.16 C:19 16.29 -15.25 O 16.73 -16.57 O 14.43 -17.34 O 16.14 -3.58 O 20.96 -5.04 O 17.35 -5.67 O 19.72 -7.06 C:305 13.49 -18.38 C:205 14.96 -2.87 C:105 20.96 -3.65 C:304 13.94 -19.71 C:204 13.73 -3.58 C:104 19.84 -2.87 C:303 15.31 -20.00 C:203 13.73 -4.97 C:302 16.24 -18.95 C:202 14.96 -5.67 C:103 18.55 -3.58 C:301 15.80 -17.62 C:201 16.14 -4.97 C:101 19.72 -5.67 C:102 18.55 -4.97 C:9 19.72 -11.36 C:8 20.96 -12.07 C:13 20.96 -7.86 C:5 18.46 -13.46 C:4 17.22 -14.16 C:10 18.46 -12.07 52 1 -1 2 19 2 34 3 -2 35 4 -1 36 5 -2 50 6 -1 51 7 -2 53 8 -1 54 9 -2 37 10 -1 38 11 -2 39 12 -1 40 13 -2 41 14 -1 42 15 -2 43 16 -2 44 17 -2 50 18 -2 19 51 1 20 22 1 20 24 1 21 23 1 49 21 -2 22 53 1 23 51 1 24 54 1 25 26 1 25 50 1 26 52 1 27 28 1 53 27 -2 45 28 -1 29 34 1 29 45 1 30 35 1 30 46 1 31 36 1 31 47 1 46 32 -1 48 32 -2 47 33 -1 51 33 -1 34 37 1 35 38 1 36 39 1 37 40 1 38 41 1 39 44 1 40 42 1 41 43 1 42 45 1 43 46 1 44 48 1 47 48 1 49 50 1 49 54 1 52 53 1 52 54 1', '54 58 H 18.46 -14.42 C 22.19 -5.67 C 12.13 -18.10 C 14.96 -1.47 C 22.19 -2.87 C 21.68 -10.88 C 20.96 -6.44 C 18.18 -15.25 C 18.46 -10.65 O 13.02 -20.76 O 12.51 -2.87 O 19.84 -1.47 O 15.75 -21.33 O 12.51 -5.67 O 17.61 -19.23 O 14.96 -7.06 O 17.35 -2.87 O 22.37 -12.07 C 22.19 -7.06 C 16.00 -12.07 C 19.72 -9.90 C 16.00 -13.46 C 20.96 -9.26 C 17.22 -11.36 C 20.96 -13.46 C 19.72 -14.16 C 16.29 -15.25 O 16.73 -16.57 O 14.43 -17.34 O 16.14 -3.58 O 20.96 -5.04 O 17.35 -5.67 O 19.72 -7.06 C 13.49 -18.38 C 14.96 -2.87 C 20.96 -3.65 C 13.94 -19.71 C 13.73 -3.58 C 19.84 -2.87 C 15.31 -20.00 C 13.73 -4.97 C 16.24 -18.95 C 14.96 -5.67 C 18.55 -3.58 C 15.80 -17.62 C 16.14 -4.97 C 19.72 -5.67 C 18.55 -4.97 C 19.72 -11.36 C 20.96 -12.07 C 20.96 -7.86 C 18.46 -13.46 C 17.22 -14.16 C 18.46 -12.07 52 1 -1 2 19 2 34 3 -2 35 4 -1 36 5 -2 50 6 -1 51 7 -2 53 8 -1 54 9 -2 37 10 -1 38 11 -2 39 12 -1 40 13 -2 41 14 -1 42 15 -2 43 16 -2 44 17 -2 50 18 -2 19 51 1 20 22 1 20 24 1 21 23 1 49 21 -2 22 53 1 23 51 1 24 54 1 25 26 1 25 50 1 26 52 1 27 28 1 53 27 -2 45 28 -1 29 34 1 29 45 1 30 35 1 30 46 1 31 36 1 31 47 1 46 32 -1 48 32 -2 47 33 -1 51 33 -1 34 37 1 35 38 1 36 39 1 37 40 1 38 41 1 39 44 1 40 42 1 41 43 1 42 45 1 43 46 1 44 48 1 47 48 1 49 50 1 49 54 1 52 53 1 52 54 1', '54 58 H 18.46 -14.42 C:116 22.19 -5.67 C:18 12.13 -18.10 C:18 14.96 -1.47 C:18 22.19 -2.87 C:31 21.68 -10.88 C:23 20.96 -6.44 C:28 18.18 -15.25 C:16 18.46 -10.65 O 13.02 -20.76 O 12.51 -2.87 O 19.84 -1.47 O 15.75 -21.33 O 12.51 -5.67 O 17.61 -19.23 O 14.96 -7.06 O 17.35 -2.87 O 22.37 -12.07 C:144 22.19 -7.06 C:19 16.00 -12.07 C:20 19.72 -9.90 C:38 16.00 -13.46 C:47 20.96 -9.26 C:41 17.22 -11.36 C:44 20.96 -13.46 C:20 19.72 -14.16 C:72 16.29 -15.25 O 16.73 -16.57 O 14.43 -17.34 O 16.14 -3.58 O 20.96 -5.04 O 17.35 -5.67 O 19.72 -7.06 C:70 13.49 -18.38 C:73 14.96 -2.87 C:70 20.96 -3.65 C:74 13.94 -19.71 C:77 13.73 -3.58 C:75 19.84 -2.87 C:73 15.31 -20.00 C:78 13.73 -4.97 C:72 16.24 -18.95 C:76 14.96 -5.67 C:72 18.55 -3.58 C:102 15.80 -17.62 C:107 16.14 -4.97 C:96 19.72 -5.67 C:84 18.55 -4.97 C:61 19.72 -11.36 C:74 20.96 -12.07 C:81 20.96 -7.86 C:58 18.46 -13.46 C:39 17.22 -14.16 C:40 18.46 -12.07 52 1 -1 2 19 2 34 3 -2 35 4 -1 36 5 -2 50 6 -1 51 7 -2 53 8 -1 54 9 -2 37 10 -1 38 11 -2 39 12 -1 40 13 -2 41 14 -1 42 15 -2 43 16 -2 44 17 -2 50 18 -2 19 51 1 20 22 1 20 24 1 21 23 1 49 21 -2 22 53 1 23 51 1 24 54 1 25 26 1 25 50 1 26 52 1 27 28 1 53 27 -2 45 28 -1 29 34 1 29 45 1 30 35 1 30 46 1 31 36 1 31 47 1 46 32 -1 48 32 -2 47 33 -1 51 33 -1 34 37 1 35 38 1 36 39 1 37 40 1 38 41 1 39 44 1 40 42 1 41 43 1 42 45 1 43 46 1 44 48 1 47 48 1 49 50 1 49 54 1 52 53 1 52 54 1', 'C38H66O15', 762.406, 'M', 'np07_1837_1m', 3675, '', '', '1', 47, NULL, NULL),
(14316, '', 'ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-3′-Oacetyl-α-L-rhamnopyranosyl]-19-O-α-L-rhamnopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O)[C@@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH3:206])[C@@H:204](O)[C@H:203](O)[C@H:202]2O)[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH2:19]O[C@@H:301]5O[C@@H:305]([CH3:306])[C@H:304](O)[C@@H:303](O)[C@H:302]5O', '[H][C@]34CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]1O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@]3(C)CCC[C@@]4(C)CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O', '[H][C@:58]34[CH2:20][CH2:44][C@@:74]([CH3:31])(O)[C@@H:61]([CH2:20][CH2:47][C@:81]([CH3:23])([CH:144]=[CH2:116])O[C@@H:96]1O[C@@H:70]([CH3:18])[C@H:72](O)[C@@H:75](O[C:173]([CH3:21])=O)[C@H:80]1O[C@@H:106]2O[C@H:73]([CH3:18])[C@@H:77](O)[C@H:78](O)[C@H:75]2O)[C@:40]3([CH3:16])[CH2:41][CH2:19][CH2:38][C@@:39]4([CH3:28])[CH2:72]O[C@@H:102]5O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:73](O)[C@H:72]5O', '57 61 H 18.46 -14.81 C:15 22.19 -6.06 C:103002 18.55 -1.15 C:306 12.13 -18.49 C:206 14.96 -1.86 C:106 22.19 -3.26 C:16 20.96 -6.83 C:17 21.68 -11.27 C:18 18.18 -15.64 C:20 18.46 -11.04 O 16.14 -1.15 O 13.02 -21.15 O 12.51 -3.26 O 15.75 -21.72 O 12.51 -6.06 O 17.61 -19.62 O 14.96 -7.45 O 19.84 -1.86 O 22.37 -12.46 C:14 22.19 -7.45 C:2 16.00 -12.46 C:11 19.72 -10.29 C:12 20.96 -9.65 C:3 16.00 -13.85 C:1 17.22 -11.75 C:7 20.96 -13.85 C:6 19.72 -14.55 C:19 16.29 -15.64 O 16.73 -16.96 O 17.35 -3.26 O 14.43 -17.73 O 16.14 -3.97 O 20.96 -5.43 O 17.35 -6.06 O 19.72 -7.45 C:103001 17.35 -1.86 C:305 13.49 -18.77 C:205 14.96 -3.26 C:105 20.96 -4.04 C:304 13.94 -20.10 C:204 13.73 -3.97 C:303 15.31 -20.39 C:203 13.73 -5.36 C:302 16.24 -19.34 C:202 14.96 -6.06 C:104 19.84 -3.26 C:301 15.80 -18.01 C:201 16.14 -5.36 C:101 19.72 -6.06 C:103 18.55 -3.97 C:102 18.55 -5.36 C:9 19.72 -11.75 C:13 20.96 -8.25 C:8 20.96 -12.46 C:5 18.46 -13.85 C:4 17.22 -14.55 C:10 18.46 -12.46 55 1 -1 2 20 2 3 36 1 37 4 -2 38 5 -1 39 6 -2 53 7 -2 54 8 -1 56 9 -1 57 10 -2 11 36 2 40 12 -1 41 13 -2 42 14 -2 43 15 -1 44 16 -2 45 17 -2 46 18 -1 54 19 -2 20 53 1 21 24 1 21 25 1 22 23 1 52 22 -2 23 53 1 24 56 1 25 57 1 26 27 1 26 54 1 27 55 1 28 29 1 56 28 -2 47 29 -1 30 36 1 50 30 -2 31 37 1 31 47 1 32 38 1 32 48 1 33 39 1 33 49 1 48 34 -1 51 34 -2 49 35 -1 53 35 -1 37 40 1 38 41 1 39 46 1 40 42 1 41 43 1 42 44 1 43 45 1 44 47 1 45 48 1 46 50 1 49 51 1 50 51 1 52 54 1 52 57 1 55 56 1 55 57 1', '57 61 H 18.46 -14.81 C 22.19 -6.06 C 18.55 -1.15 C 12.13 -18.49 C 14.96 -1.86 C 22.19 -3.26 C 20.96 -6.83 C 21.68 -11.27 C 18.18 -15.64 C 18.46 -11.04 O 16.14 -1.15 O 13.02 -21.15 O 12.51 -3.26 O 15.75 -21.72 O 12.51 -6.06 O 17.61 -19.62 O 14.96 -7.45 O 19.84 -1.86 O 22.37 -12.46 C 22.19 -7.45 C 16.00 -12.46 C 19.72 -10.29 C 20.96 -9.65 C 16.00 -13.85 C 17.22 -11.75 C 20.96 -13.85 C 19.72 -14.55 C 16.29 -15.64 O 16.73 -16.96 O 17.35 -3.26 O 14.43 -17.73 O 16.14 -3.97 O 20.96 -5.43 O 17.35 -6.06 O 19.72 -7.45 C 17.35 -1.86 C 13.49 -18.77 C 14.96 -3.26 C 20.96 -4.04 C 13.94 -20.10 C 13.73 -3.97 C 15.31 -20.39 C 13.73 -5.36 C 16.24 -19.34 C 14.96 -6.06 C 19.84 -3.26 C 15.80 -18.01 C 16.14 -5.36 C 19.72 -6.06 C 18.55 -3.97 C 18.55 -5.36 C 19.72 -11.75 C 20.96 -8.25 C 20.96 -12.46 C 18.46 -13.85 C 17.22 -14.55 C 18.46 -12.46 55 1 -1 2 20 2 3 36 1 37 4 -2 38 5 -1 39 6 -2 53 7 -2 54 8 -1 56 9 -1 57 10 -2 11 36 2 40 12 -1 41 13 -2 42 14 -2 43 15 -1 44 16 -2 45 17 -2 46 18 -1 54 19 -2 20 53 1 21 24 1 21 25 1 22 23 1 52 22 -2 23 53 1 24 56 1 25 57 1 26 27 1 26 54 1 27 55 1 28 29 1 56 28 -2 47 29 -1 30 36 1 50 30 -2 31 37 1 31 47 1 32 38 1 32 48 1 33 39 1 33 49 1 48 34 -1 51 34 -2 49 35 -1 53 35 -1 37 40 1 38 41 1 39 46 1 40 42 1 41 43 1 42 44 1 43 45 1 44 47 1 45 48 1 46 50 1 49 51 1 50 51 1 52 54 1 52 57 1 55 56 1 55 57 1', '57 61 H 18.46 -14.81 C:116 22.19 -6.06 C:21 18.55 -1.15 C:18 12.13 -18.49 C:18 14.96 -1.86 C:18 22.19 -3.26 C:23 20.96 -6.83 C:31 21.68 -11.27 C:28 18.18 -15.64 C:16 18.46 -11.04 O 16.14 -1.15 O 13.02 -21.15 O 12.51 -3.26 O 15.75 -21.72 O 12.51 -6.06 O 17.61 -19.62 O 14.96 -7.45 O 19.84 -1.86 O 22.37 -12.46 C:144 22.19 -7.45 C:19 16.00 -12.46 C:20 19.72 -10.29 C:47 20.96 -9.65 C:38 16.00 -13.85 C:41 17.22 -11.75 C:44 20.96 -13.85 C:20 19.72 -14.55 C:72 16.29 -15.64 O 16.73 -16.96 O 17.35 -3.26 O 14.43 -17.73 O 16.14 -3.97 O 20.96 -5.43 O 17.35 -6.06 O 19.72 -7.45 C:173 17.35 -1.86 C:70 13.49 -18.77 C:73 14.96 -3.26 C:70 20.96 -4.04 C:74 13.94 -20.10 C:77 13.73 -3.97 C:73 15.31 -20.39 C:78 13.73 -5.36 C:72 16.24 -19.34 C:75 14.96 -6.06 C:72 19.84 -3.26 C:102 15.80 -18.01 C:106 16.14 -5.36 C:96 19.72 -6.06 C:75 18.55 -3.97 C:80 18.55 -5.36 C:61 19.72 -11.75 C:81 20.96 -8.25 C:74 20.96 -12.46 C:58 18.46 -13.85 C:39 17.22 -14.55 C:40 18.46 -12.46 55 1 -1 2 20 2 3 36 1 37 4 -2 38 5 -1 39 6 -2 53 7 -2 54 8 -1 56 9 -1 57 10 -2 11 36 2 40 12 -1 41 13 -2 42 14 -2 43 15 -1 44 16 -2 45 17 -2 46 18 -1 54 19 -2 20 53 1 21 24 1 21 25 1 22 23 1 52 22 -2 23 53 1 24 56 1 25 57 1 26 27 1 26 54 1 27 55 1 28 29 1 56 28 -2 47 29 -1 30 36 1 50 30 -2 31 37 1 31 47 1 32 38 1 32 48 1 33 39 1 33 49 1 48 34 -1 51 34 -2 49 35 -1 53 35 -1 37 40 1 38 41 1 39 46 1 40 42 1 41 43 1 42 44 1 43 45 1 44 47 1 45 48 1 46 50 1 49 51 1 50 51 1 52 54 1 52 57 1 55 56 1 55 57 1', 'C40H68O16', 804.426, 'M', 'np07_1837_1n', 3675, '', '', '1', 47, NULL, NULL),
(14317, '', 'ent-14-Labden-8β-ol-19-acetyl 13α-O-[2′′,3′′,4′′-tri-O-acetyl-β-Dquinovopyranosyl-(1f2)-3′,4′-di-O-acetyl-α-L-rhamnopyranoside]', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O[C:104001]([CH3:104002])=O)[C@@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH3:206])[C@@H:204](O[C:204001]([CH3:204002])=O)[C@H:203](O[C:203001]([CH3:203002])=O)[C@H:202]2O[C:202001]([CH3:202002])=O)[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@]34CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@]3(C)CCC[C@@]4(C)COC(C)=O', '[H][C@:57]34[CH2:19][CH2:43][C@@:73]([CH3:31])(O)[C@@H:59]([CH2:18][CH2:46][C@:80]([CH3:22])([CH:141]=[CH2:116])O[C@@H:94]1O[C@@H:66]([CH3:17])[C@H:72](O[C:9999]([CH3:9999])=O)[C@@H:71](O[C:9999]([CH3:9999])=O)[C@H:78]1O[C@@H:102]2O[C@H:70]([CH3:17])[C@@H:73](O[C:9999]([CH3:9999])=O)[C@H:72](O[C:9999]([CH3:9999])=O)[C@H:71]2O[C:9999]([CH3:9999])=O)[C@:39]3([CH3:16])[CH2:39][CH2:18][CH2:36][C@@:37]4([CH3:27])[CH2:67]O[C:9999]([CH3:9999])=O', '62 65 H 19.47 -16.65 C:15 23.20 -7.90 C:19002 17.25 -21.19 C:204002 12.31 -3.00 C:104002 22.06 -1.61 C:202002 14.76 -11.39 C:203002 11.10 -7.90 C:103002 19.56 -3.00 C:206 15.97 -3.71 C:106 23.20 -5.11 C:16 21.97 -8.67 C:17 22.69 -13.11 C:18 19.19 -17.48 C:20 19.47 -12.88 O 15.44 -19.59 O 14.76 -3.00 O 23.28 -3.71 O 13.55 -9.29 O 12.31 -5.80 O 17.15 -3.00 O 23.38 -14.30 C:14 23.20 -9.29 C:2 17.01 -14.30 C:11 20.73 -12.13 C:3 17.01 -15.69 C:12 21.97 -11.49 C:1 18.23 -13.59 C:7 21.97 -15.69 C:6 20.73 -16.39 C:19 17.30 -17.48 O 17.74 -18.80 O 13.55 -5.11 O 20.85 -3.71 O 15.97 -9.29 O 13.55 -7.90 O 18.36 -5.11 O 17.15 -5.80 O 21.97 -7.28 O 18.36 -7.90 O 20.73 -9.29 C:19001 16.81 -19.86 C:204001 13.55 -3.71 C:104001 22.06 -3.00 C:202001 14.76 -9.99 C:203001 12.31 -7.20 C:103001 18.36 -3.71 C:205 15.97 -5.11 C:105 21.97 -5.89 C:201 17.15 -7.20 C:101 20.73 -7.90 C:204 14.76 -5.80 C:104 20.85 -5.11 C:202 15.97 -7.90 C:203 14.76 -7.20 C:103 19.56 -5.80 C:102 19.56 -7.20 C:9 20.73 -13.59 C:13 21.97 -10.09 C:8 21.97 -14.30 C:5 19.47 -15.69 C:4 18.23 -16.39 C:10 19.47 -14.30 60 1 -1 2 22 2 3 41 1 4 42 1 5 43 1 6 44 1 7 45 1 8 46 1 47 9 -1 48 10 -2 58 11 -2 59 12 -1 61 13 -1 62 14 -2 15 41 2 16 42 2 17 43 2 18 44 2 19 45 2 20 46 2 59 21 -2 22 58 1 23 25 1 23 27 1 24 26 1 57 24 -2 25 61 1 26 58 1 27 62 1 28 29 1 28 59 1 29 60 1 30 31 1 61 30 -2 31 41 1 32 42 1 51 32 -2 33 43 1 52 33 -1 34 44 1 53 34 -2 35 45 1 54 35 -1 36 46 1 55 36 -2 37 47 1 37 49 1 38 48 1 38 50 1 49 39 -1 56 39 -2 50 40 -1 58 40 -1 47 51 1 48 52 1 49 53 1 50 56 1 51 54 1 52 55 1 53 54 1 55 56 1 57 59 1 57 62 1 60 61 1 60 62 1', '62 65 H 19.47 -16.65 C 23.20 -7.90 C 17.25 -21.19 C 12.31 -3.00 C 22.06 -1.61 C 14.76 -11.39 C 11.10 -7.90 C 19.56 -3.00 C 15.97 -3.71 C 23.20 -5.11 C 21.97 -8.67 C 22.69 -13.11 C 19.19 -17.48 C 19.47 -12.88 O 15.44 -19.59 O 14.76 -3.00 O 23.28 -3.71 O 13.55 -9.29 O 12.31 -5.80 O 17.15 -3.00 O 23.38 -14.30 C 23.20 -9.29 C 17.01 -14.30 C 20.73 -12.13 C 17.01 -15.69 C 21.97 -11.49 C 18.23 -13.59 C 21.97 -15.69 C 20.73 -16.39 C 17.30 -17.48 O 17.74 -18.80 O 13.55 -5.11 O 20.85 -3.71 O 15.97 -9.29 O 13.55 -7.90 O 18.36 -5.11 O 17.15 -5.80 O 21.97 -7.28 O 18.36 -7.90 O 20.73 -9.29 C 16.81 -19.86 C 13.55 -3.71 C 22.06 -3.00 C 14.76 -9.99 C 12.31 -7.20 C 18.36 -3.71 C 15.97 -5.11 C 21.97 -5.89 C 17.15 -7.20 C 20.73 -7.90 C 14.76 -5.80 C 20.85 -5.11 C 15.97 -7.90 C 14.76 -7.20 C 19.56 -5.80 C 19.56 -7.20 C 20.73 -13.59 C 21.97 -10.09 C 21.97 -14.30 C 19.47 -15.69 C 18.23 -16.39 C 19.47 -14.30 60 1 -1 2 22 2 3 41 1 4 42 1 5 43 1 6 44 1 7 45 1 8 46 1 47 9 -1 48 10 -2 58 11 -2 59 12 -1 61 13 -1 62 14 -2 15 41 2 16 42 2 17 43 2 18 44 2 19 45 2 20 46 2 59 21 -2 22 58 1 23 25 1 23 27 1 24 26 1 57 24 -2 25 61 1 26 58 1 27 62 1 28 29 1 28 59 1 29 60 1 30 31 1 61 30 -2 31 41 1 32 42 1 51 32 -2 33 43 1 52 33 -1 34 44 1 53 34 -2 35 45 1 54 35 -1 36 46 1 55 36 -2 37 47 1 37 49 1 38 48 1 38 50 1 49 39 -1 56 39 -2 50 40 -1 58 40 -1 47 51 1 48 52 1 49 53 1 50 56 1 51 54 1 52 55 1 53 54 1 55 56 1 57 59 1 57 62 1 60 61 1 60 62 1', '62 65 H 19.47 -16.65 C:116 23.20 -7.90 C 17.25 -21.19 C 12.31 -3.00 C 22.06 -1.61 C 14.76 -11.39 C 11.10 -7.90 C 19.56 -3.00 C:17 15.97 -3.71 C:17 23.20 -5.11 C:22 21.97 -8.67 C:31 22.69 -13.11 C:27 19.19 -17.48 C:16 19.47 -12.88 O 15.44 -19.59 O 14.76 -3.00 O 23.28 -3.71 O 13.55 -9.29 O 12.31 -5.80 O 17.15 -3.00 O 23.38 -14.30 C:141 23.20 -9.29 C:18 17.01 -14.30 C:18 20.73 -12.13 C:36 17.01 -15.69 C:46 21.97 -11.49 C:39 18.23 -13.59 C:43 21.97 -15.69 C:19 20.73 -16.39 C:67 17.30 -17.48 O 17.74 -18.80 O 13.55 -5.11 O 20.85 -3.71 O 15.97 -9.29 O 13.55 -7.90 O 18.36 -5.11 O 17.15 -5.80 O 21.97 -7.28 O 18.36 -7.90 O 20.73 -9.29 C 16.81 -19.86 C 13.55 -3.71 C 22.06 -3.00 C 14.76 -9.99 C 12.31 -7.20 C 18.36 -3.71 C:70 15.97 -5.11 C:66 21.97 -5.89 C:102 17.15 -7.20 C:94 20.73 -7.90 C:73 14.76 -5.80 C:72 20.85 -5.11 C:71 15.97 -7.90 C:72 14.76 -7.20 C:71 19.56 -5.80 C:78 19.56 -7.20 C:59 20.73 -13.59 C:80 21.97 -10.09 C:73 21.97 -14.30 C:57 19.47 -15.69 C:37 18.23 -16.39 C:39 19.47 -14.30 60 1 -1 2 22 2 3 41 1 4 42 1 5 43 1 6 44 1 7 45 1 8 46 1 47 9 -1 48 10 -2 58 11 -2 59 12 -1 61 13 -1 62 14 -2 15 41 2 16 42 2 17 43 2 18 44 2 19 45 2 20 46 2 59 21 -2 22 58 1 23 25 1 23 27 1 24 26 1 57 24 -2 25 61 1 26 58 1 27 62 1 28 29 1 28 59 1 29 60 1 30 31 1 61 30 -2 31 41 1 32 42 1 51 32 -2 33 43 1 52 33 -1 34 44 1 53 34 -2 35 45 1 54 35 -1 36 46 1 55 36 -2 37 47 1 37 49 1 38 48 1 38 50 1 49 39 -1 56 39 -2 50 40 -1 58 40 -1 47 51 1 48 52 1 49 53 1 50 56 1 51 54 1 52 55 1 53 54 1 55 56 1 57 59 1 57 62 1 60 61 1 60 62 1', 'C44H68O17', 868.469, 'C', 'np07_1837_1o', 3675, '', '', '1', 47, NULL, NULL),
(14318, '', 'ent-14-Labden-8β-ol 13α-O-[2′′,3′′,4′′-tri-O-acetyl-β-D-quinovopyranosyl-(1f2)-3′,4′-di-O-acetyl-α-L-rhamnopyranosyl]-19-O-2′′′,3′′′,4′′′-tri-O-acetyl-α-L-rhamnopyranoside', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@H:101]1O[C@@H:105]([CH3:106])[C@H:104](O[C:104001]([CH3:104002])=O)[C@@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]1O[C@@H:201]2O[C@H:205]([CH3:206])[C@@H:204](O[C:204001]([CH3:204002])=O)[C@H:203](O[C:203001]([CH3:203002])=O)[C@H:202]2O[C:202001]([CH3:202002])=O)[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH2:19]O[C@@H:301]5O[C@@H:305]([CH3:306])[C@H:304](O[C:304001]([CH3:304002])=O)[C@@H:303](O[C:303001]([CH3:303002])=O)[C@H:302]5O[C:302001]([CH3:302002])=O', '[H][C@]34CC[C@@](C)(O)[C@@H](CC[C@](C)(C=C)O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@]3(C)CCC[C@@]4(C)CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]5OC(C)=O', '[H][C@:57]34[CH2:19][CH2:43][C@@:73]([CH3:31])(O)[C@@H:59]([CH2:19][CH2:46][C@:80]([CH3:22])([CH:141]=[CH2:116])O[C@@H:94]1O[C@@H:66]([CH3:17])[C@H:72](O[C:9999]([CH3:9999])=O)[C@@H:71](O[C:9999]([CH3:9999])=O)[C@H:78]1O[C@@H:98]2O[C@H:66]([CH3:17])[C@@H:71](O[C:9999]([CH3:9999])=O)[C@H:69](O[C:9999]([CH3:9999])=O)[C@H:70]2O[C:9999]([CH3:9999])=O)[C@:39]3([CH3:16])[CH2:39][CH2:18][CH2:37][C@@:38]4([CH3:28])[CH2:71]O[C@@H:102]5O[C@@H:70]([CH3:17])[C@H:73](O[C:9999]([CH3:9999])=O)[C@@H:72](O[C:9999]([CH3:9999])=O)[C@H:71]5O[C:9999]([CH3:9999])=O', '78 82 H 19.47 -14.31 C:15 23.20 -5.55 C:304002 11.73 -21.43 C:204002 12.31 -0.65 C:104002 22.06 0.74 C:302002 20.43 -20.72 C:202002 14.76 -9.05 C:303002 16.27 -23.58 C:203002 11.09 -5.55 C:103002 19.56 -0.65 C:306 13.14 -17.98 C:206 15.97 -1.36 C:106 23.20 -2.76 C:16 21.97 -6.33 C:17 22.69 -10.77 C:18 19.19 -15.13 C:20 19.47 -10.54 O 12.22 -19.04 O 14.76 -0.65 O 23.27 -1.36 O 18.13 -21.49 O 13.55 -6.95 O 14.46 -21.96 O 12.31 -3.45 O 17.15 -0.65 O 23.38 -11.96 C:14 23.20 -6.95 C:2 17.01 -11.96 C:11 20.73 -9.79 C:3 17.01 -13.35 C:12 21.97 -9.15 C:1 18.23 -11.25 C:7 21.97 -13.35 C:6 20.73 -14.05 C:19 17.30 -15.13 O 17.74 -16.45 O 14.03 -20.64 O 13.55 -2.76 O 20.85 -1.36 O 18.62 -19.11 O 15.97 -6.95 O 16.76 -21.21 O 13.55 -5.55 O 18.36 -2.76 O 15.44 -17.22 O 17.15 -3.45 O 21.97 -4.93 O 18.36 -5.55 O 20.73 -6.95 C:304001 12.66 -20.37 C:204001 13.55 -1.36 C:104001 22.06 -0.65 C:302001 19.06 -20.44 C:202001 14.76 -7.65 C:303001 15.83 -22.25 C:203001 12.31 -4.85 C:103001 18.36 -1.36 C:305 14.46 -18.26 C:205 15.97 -2.76 C:105 21.97 -3.54 C:301 16.76 -17.50 C:201 17.15 -4.85 C:101 20.73 -5.55 C:304 14.95 -19.59 C:204 14.76 -3.45 C:104 20.85 -2.76 C:302 17.25 -18.83 C:202 15.97 -5.55 C:303 16.32 -19.88 C:203 14.76 -4.85 C:103 19.56 -3.45 C:102 19.56 -4.85 C:9 20.73 -11.25 C:13 21.97 -7.75 C:8 21.97 -11.96 C:5 19.47 -13.35 C:4 18.23 -14.05 C:10 19.47 -11.96 76 1 -1 2 27 2 3 50 1 4 51 1 5 52 1 6 53 1 7 54 1 8 55 1 9 56 1 10 57 1 58 11 -2 59 12 -1 60 13 -2 74 14 -2 75 15 -1 77 16 -1 78 17 -2 18 50 2 19 51 2 20 52 2 21 53 2 22 54 2 23 55 2 24 56 2 25 57 2 75 26 -2 27 74 1 28 30 1 28 32 1 29 31 1 73 29 -2 30 77 1 31 74 1 32 78 1 33 34 1 33 75 1 34 76 1 35 36 1 77 35 -2 61 36 -1 37 50 1 64 37 -1 38 51 1 65 38 -2 39 52 1 66 39 -1 40 53 1 67 40 -2 41 54 1 68 41 -2 42 55 1 69 42 -2 43 56 1 70 43 -1 44 57 1 71 44 -2 45 58 1 45 61 1 46 59 1 46 62 1 47 60 1 47 63 1 62 48 -1 72 48 -2 63 49 -1 74 49 -1 58 64 1 59 65 1 60 66 1 61 67 1 62 68 1 63 72 1 64 69 1 65 70 1 66 71 1 67 69 1 68 70 1 71 72 1 73 75 1 73 78 1 76 77 1 76 78 1', '78 82 H 19.47 -14.31 C 23.20 -5.55 C 11.73 -21.43 C 12.31 -0.65 C 22.06 0.74 C 20.43 -20.72 C 14.76 -9.05 C 16.27 -23.58 C 11.09 -5.55 C 19.56 -0.65 C 13.14 -17.98 C 15.97 -1.36 C 23.20 -2.76 C 21.97 -6.33 C 22.69 -10.77 C 19.19 -15.13 C 19.47 -10.54 O 12.22 -19.04 O 14.76 -0.65 O 23.27 -1.36 O 18.13 -21.49 O 13.55 -6.95 O 14.46 -21.96 O 12.31 -3.45 O 17.15 -0.65 O 23.38 -11.96 C 23.20 -6.95 C 17.01 -11.96 C 20.73 -9.79 C 17.01 -13.35 C 21.97 -9.15 C 18.23 -11.25 C 21.97 -13.35 C 20.73 -14.05 C 17.30 -15.13 O 17.74 -16.45 O 14.03 -20.64 O 13.55 -2.76 O 20.85 -1.36 O 18.62 -19.11 O 15.97 -6.95 O 16.76 -21.21 O 13.55 -5.55 O 18.36 -2.76 O 15.44 -17.22 O 17.15 -3.45 O 21.97 -4.93 O 18.36 -5.55 O 20.73 -6.95 C 12.66 -20.37 C 13.55 -1.36 C 22.06 -0.65 C 19.06 -20.44 C 14.76 -7.65 C 15.83 -22.25 C 12.31 -4.85 C 18.36 -1.36 C 14.46 -18.26 C 15.97 -2.76 C 21.97 -3.54 C 16.76 -17.50 C 17.15 -4.85 C 20.73 -5.55 C 14.95 -19.59 C 14.76 -3.45 C 20.85 -2.76 C 17.25 -18.83 C 15.97 -5.55 C 16.32 -19.88 C 14.76 -4.85 C 19.56 -3.45 C 19.56 -4.85 C 20.73 -11.25 C 21.97 -7.75 C 21.97 -11.96 C 19.47 -13.35 C 18.23 -14.05 C 19.47 -11.96 76 1 -1 2 27 2 3 50 1 4 51 1 5 52 1 6 53 1 7 54 1 8 55 1 9 56 1 10 57 1 58 11 -2 59 12 -1 60 13 -2 74 14 -2 75 15 -1 77 16 -1 78 17 -2 18 50 2 19 51 2 20 52 2 21 53 2 22 54 2 23 55 2 24 56 2 25 57 2 75 26 -2 27 74 1 28 30 1 28 32 1 29 31 1 73 29 -2 30 77 1 31 74 1 32 78 1 33 34 1 33 75 1 34 76 1 35 36 1 77 35 -2 61 36 -1 37 50 1 64 37 -1 38 51 1 65 38 -2 39 52 1 66 39 -1 40 53 1 67 40 -2 41 54 1 68 41 -2 42 55 1 69 42 -2 43 56 1 70 43 -1 44 57 1 71 44 -2 45 58 1 45 61 1 46 59 1 46 62 1 47 60 1 47 63 1 62 48 -1 72 48 -2 63 49 -1 74 49 -1 58 64 1 59 65 1 60 66 1 61 67 1 62 68 1 63 72 1 64 69 1 65 70 1 66 71 1 67 69 1 68 70 1 71 72 1 73 75 1 73 78 1 76 77 1 76 78 1', '78 82 H 19.47 -14.31 C:116 23.20 -5.55 C 11.73 -21.43 C 12.31 -0.65 C 22.06 0.74 C 20.43 -20.72 C 14.76 -9.05 C 16.27 -23.58 C 11.09 -5.55 C 19.56 -0.65 C:17 13.14 -17.98 C:17 15.97 -1.36 C:17 23.20 -2.76 C:22 21.97 -6.33 C:31 22.69 -10.77 C:28 19.19 -15.13 C:16 19.47 -10.54 O 12.22 -19.04 O 14.76 -0.65 O 23.27 -1.36 O 18.13 -21.49 O 13.55 -6.95 O 14.46 -21.96 O 12.31 -3.45 O 17.15 -0.65 O 23.38 -11.96 C:141 23.20 -6.95 C:18 17.01 -11.96 C:19 20.73 -9.79 C:37 17.01 -13.35 C:46 21.97 -9.15 C:39 18.23 -11.25 C:43 21.97 -13.35 C:19 20.73 -14.05 C:71 17.30 -15.13 O 17.74 -16.45 O 14.03 -20.64 O 13.55 -2.76 O 20.85 -1.36 O 18.62 -19.11 O 15.97 -6.95 O 16.76 -21.21 O 13.55 -5.55 O 18.36 -2.76 O 15.44 -17.22 O 17.15 -3.45 O 21.97 -4.93 O 18.36 -5.55 O 20.73 -6.95 C 12.66 -20.37 C 13.55 -1.36 C 22.06 -0.65 C 19.06 -20.44 C 14.76 -7.65 C 15.83 -22.25 C 12.31 -4.85 C 18.36 -1.36 C:70 14.46 -18.26 C:66 15.97 -2.76 C:66 21.97 -3.54 C:102 16.76 -17.50 C:98 17.15 -4.85 C:94 20.73 -5.55 C:73 14.95 -19.59 C:71 14.76 -3.45 C:72 20.85 -2.76 C:71 17.25 -18.83 C:70 15.97 -5.55 C:72 16.32 -19.88 C:69 14.76 -4.85 C:71 19.56 -3.45 C:78 19.56 -4.85 C:59 20.73 -11.25 C:80 21.97 -7.75 C:73 21.97 -11.96 C:57 19.47 -13.35 C:38 18.23 -14.05 C:39 19.47 -11.96 76 1 -1 2 27 2 3 50 1 4 51 1 5 52 1 6 53 1 7 54 1 8 55 1 9 56 1 10 57 1 58 11 -2 59 12 -1 60 13 -2 74 14 -2 75 15 -1 77 16 -1 78 17 -2 18 50 2 19 51 2 20 52 2 21 53 2 22 54 2 23 55 2 24 56 2 25 57 2 75 26 -2 27 74 1 28 30 1 28 32 1 29 31 1 73 29 -2 30 77 1 31 74 1 32 78 1 33 34 1 33 75 1 34 76 1 35 36 1 77 35 -2 61 36 -1 37 50 1 64 37 -1 38 51 1 65 38 -2 39 52 1 66 39 -1 40 53 1 67 40 -2 41 54 1 68 41 -2 42 55 1 69 42 -2 43 56 1 70 43 -1 44 57 1 71 44 -2 45 58 1 45 61 1 46 59 1 46 62 1 47 60 1 47 63 1 62 48 -1 72 48 -2 63 49 -1 74 49 -1 58 64 1 59 65 1 60 66 1 61 67 1 62 68 1 63 72 1 64 69 1 65 70 1 66 71 1 67 69 1 68 70 1 71 72 1 73 75 1 73 78 1 76 77 1 76 78 1', 'C54H82O23', 1098.57, 'C', 'np07_1837_1p', 3675, '', '', '1', 47, NULL, NULL),
(14319, '7α-Hydroxy-14-deoxyandrographolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][C@H:7](O)[C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][CH2:15]O[C:16]1=O)[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23C[C@H](O)C(=C)[C@@H](CCC1=CCOC1=O)[C@]2(C)CC[C@@H](O)[C@@]3(C)CO', '[H][C@:53]23[CH2:35][C@H:74](O)[C:151](=[CH2:104])[C@@H:55]([CH2:22][CH2:25][C:134]1=[CH:146][CH2:71]O[C:175]1=O)[C@:39]2([CH3:16])[CH2:37][CH2:29][C@@H:80](O)[C@@:43]3([CH3:24])[CH2:64]O', '26 28 H 17.23 -14.77 C:17 20.91 -11.66 C:18 16.96 -15.57 C:20 17.23 -10.96 O 17.23 -7.70 O 15.46 -16.91 O 20.91 -14.50 O 13.54 -14.50 C:14 20.84 -7.28 C:15 20.39 -5.95 C:19 15.05 -15.57 C:12 19.69 -9.54 C:11 18.46 -10.25 C:2 14.77 -12.38 C:1 16.01 -11.66 C:6 18.46 -14.50 O 18.99 -5.95 C:8 19.69 -12.38 C:16 18.56 -7.28 C:13 19.69 -8.11 C:7 19.69 -13.80 C:3 14.77 -13.80 C:9 18.46 -11.66 C:5 17.23 -13.80 C:4 16.01 -14.50 C:10 17.23 -12.38 24 1 -1 2 18 2 25 3 -1 26 4 -2 5 19 2 6 11 1 21 7 -1 22 8 -2 9 10 1 9 20 2 10 17 1 25 11 -2 12 13 1 12 20 1 23 13 -2 14 15 1 14 22 1 15 26 1 16 21 1 16 24 1 17 19 1 18 21 1 18 23 1 19 20 1 22 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 17.23 -14.77 C 20.91 -11.66 C 16.96 -15.57 C 17.23 -10.96 O 17.23 -7.70 O 15.46 -16.91 O 20.91 -14.50 O 13.54 -14.50 C 20.84 -7.28 C 20.39 -5.95 C 15.05 -15.57 C 19.69 -9.54 C 18.46 -10.25 C 14.77 -12.38 C 16.01 -11.66 C 18.46 -14.50 O 18.99 -5.95 C 19.69 -12.38 C 18.56 -7.28 C 19.69 -8.11 C 19.69 -13.80 C 14.77 -13.80 C 18.46 -11.66 C 17.23 -13.80 C 16.01 -14.50 C 17.23 -12.38 24 1 -1 2 18 2 25 3 -1 26 4 -2 5 19 2 6 11 1 21 7 -1 22 8 -2 9 10 1 9 20 2 10 17 1 25 11 -2 12 13 1 12 20 1 23 13 -2 14 15 1 14 22 1 15 26 1 16 21 1 16 24 1 17 19 1 18 21 1 18 23 1 19 20 1 22 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 17.23 -14.77 C:104 20.91 -11.66 C:24 16.96 -15.57 C:16 17.23 -10.96 O 17.23 -7.70 O 15.46 -16.91 O 20.91 -14.50 O 13.54 -14.50 C:146 20.84 -7.28 C:71 20.39 -5.95 C:64 15.05 -15.57 C:25 19.69 -9.54 C:22 18.46 -10.25 C:29 14.77 -12.38 C:37 16.01 -11.66 C:35 18.46 -14.50 O 18.99 -5.95 C:151 19.69 -12.38 C:175 18.56 -7.28 C:134 19.69 -8.11 C:74 19.69 -13.80 C:80 14.77 -13.80 C:55 18.46 -11.66 C:53 17.23 -13.80 C:43 16.01 -14.50 C:39 17.23 -12.38 24 1 -1 2 18 2 25 3 -1 26 4 -2 5 19 2 6 11 1 21 7 -1 22 8 -2 9 10 1 9 20 2 10 17 1 25 11 -2 12 13 1 12 20 1 23 13 -2 14 15 1 14 22 1 15 26 1 16 21 1 16 24 1 17 19 1 18 21 1 18 23 1 19 20 1 22 25 1 23 26 1 24 25 1 24 26 1', 'C20H30O5', 350.219, 'P', 'np08_852_1', 3676, '', '', '1', 47, NULL, NULL),
(14320, '7β-Hydroxy-14-deoxyandrographolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][CH2:15]O[C:16]1=O)[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23C[C@@H](O)C(=C)[C@@H](CCC1=CCOC1=O)[C@]2(C)CC[C@@H](O)[C@@]3(C)CO', '[H][C@:48]23[CH2:32][C@@H:73](O)[C:151](=[CH2:108])[C@@H:51]([CH2:22][CH2:25][C:134]1=[CH:146][CH2:71]O[C:175]1=O)[C@:40]2([CH3:15])[CH2:37][CH2:29][C@@H:80](O)[C@@:43]3([CH3:24])[CH2:65]O', '26 28 H 17.23 -14.77 C:17 20.91 -11.66 C:18 16.96 -15.57 C:20 17.23 -10.96 O 17.23 -7.70 O 15.46 -16.91 O 20.91 -14.50 O 13.54 -14.50 C:14 20.84 -7.28 C:15 20.39 -5.95 C:19 15.05 -15.57 C:12 19.69 -9.54 C:11 18.46 -10.25 C:2 14.77 -12.38 C:1 16.01 -11.66 C:6 18.46 -14.50 O 18.99 -5.95 C:8 19.69 -12.38 C:16 18.56 -7.28 C:13 19.69 -8.11 C:7 19.69 -13.80 C:3 14.77 -13.80 C:9 18.46 -11.66 C:5 17.23 -13.80 C:4 16.01 -14.50 C:10 17.23 -12.38 24 1 -1 2 18 2 25 3 -1 26 4 -2 5 19 2 6 11 1 21 7 -2 22 8 -2 9 10 1 9 20 2 10 17 1 25 11 -2 12 13 1 12 20 1 23 13 -2 14 15 1 14 22 1 15 26 1 16 21 1 16 24 1 17 19 1 18 21 1 18 23 1 19 20 1 22 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 17.23 -14.77 C 20.91 -11.66 C 16.96 -15.57 C 17.23 -10.96 O 17.23 -7.70 O 15.46 -16.91 O 20.91 -14.50 O 13.54 -14.50 C 20.84 -7.28 C 20.39 -5.95 C 15.05 -15.57 C 19.69 -9.54 C 18.46 -10.25 C 14.77 -12.38 C 16.01 -11.66 C 18.46 -14.50 O 18.99 -5.95 C 19.69 -12.38 C 18.56 -7.28 C 19.69 -8.11 C 19.69 -13.80 C 14.77 -13.80 C 18.46 -11.66 C 17.23 -13.80 C 16.01 -14.50 C 17.23 -12.38 24 1 -1 2 18 2 25 3 -1 26 4 -2 5 19 2 6 11 1 21 7 -2 22 8 -2 9 10 1 9 20 2 10 17 1 25 11 -2 12 13 1 12 20 1 23 13 -2 14 15 1 14 22 1 15 26 1 16 21 1 16 24 1 17 19 1 18 21 1 18 23 1 19 20 1 22 25 1 23 26 1 24 25 1 24 26 1', '26 28 H 17.23 -14.77 C:108 20.91 -11.66 C:24 16.96 -15.57 C:15 17.23 -10.96 O 17.23 -7.70 O 15.46 -16.91 O 20.91 -14.50 O 13.54 -14.50 C:146 20.84 -7.28 C:71 20.39 -5.95 C:65 15.05 -15.57 C:25 19.69 -9.54 C:22 18.46 -10.25 C:29 14.77 -12.38 C:37 16.01 -11.66 C:32 18.46 -14.50 O 18.99 -5.95 C:151 19.69 -12.38 C:175 18.56 -7.28 C:134 19.69 -8.11 C:73 19.69 -13.80 C:80 14.77 -13.80 C:51 18.46 -11.66 C:48 17.23 -13.80 C:43 16.01 -14.50 C:40 17.23 -12.38 24 1 -1 2 18 2 25 3 -1 26 4 -2 5 19 2 6 11 1 21 7 -2 22 8 -2 9 10 1 9 20 2 10 17 1 25 11 -2 12 13 1 12 20 1 23 13 -2 14 15 1 14 22 1 15 26 1 16 21 1 16 24 1 17 19 1 18 21 1 18 23 1 19 20 1 22 25 1 23 26 1 24 25 1 24 26 1', 'C20H30O5', 350.219, 'P', 'np08_852_2', 3676, '', '', '1', 47, NULL, NULL),
(14321, '12S,13S-Hydroxyan-drographolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:13]3([C@H:12](O)[CH2:11][C@@H:9]1[C:8](=[CH2:17])[CH2:7][CH2:6][C@:5]2([H])[C@:4]([CH3:18])([CH2:19]O)[C@H:3](O)[CH2:2][CH2:1][C@@:10]12[CH3:20])[CH2:14][C@H:15](O)O[C:16]3=O', '[H][C@]3([C@H](O)C[C@@H]1C(=C)CC[C@]2([H])[C@](C)(CO)[C@H](O)CC[C@@]12C)C[C@H](O)OC3=O', '[H][C@:52]3([C@H:66](O)[CH2:30][C@@H:52]1[C:149](=[CH2:108])[CH2:39][CH2:25][C@:56]2([H])[C@:43]([CH3:24])([CH2:64]O)[C@H:80](O)[CH2:29][CH2:37][C@@:39]12[CH3:16])[CH2:70][C@H:75](O)O[C:178]3=O', '28 30 H 18.83 -9.19 H 17.09 -15.41 C:17 20.82 -12.27 C:18 16.82 -16.22 C:20 17.09 -11.56 O 17.09 -8.25 O 15.31 -17.56 O 21.13 -5.32 O 13.37 -15.14 O 20.82 -10.84 C:7 19.58 -14.43 C:2 14.61 -13.00 C:19 14.90 -16.22 C:6 18.34 -15.14 C:1 15.87 -12.27 C:11 18.34 -10.84 C:14 20.75 -7.83 O 18.83 -6.47 C:8 19.58 -13.00 C:16 18.44 -7.83 C:15 20.29 -6.47 C:3 14.61 -14.43 C:12 19.58 -10.11 C:9 18.34 -12.27 C:13 19.58 -8.67 C:5 17.09 -14.43 C:4 15.87 -15.14 C:10 17.09 -13.00 25 1 -1 26 2 -1 3 19 2 27 4 -1 28 5 -2 6 20 2 7 13 1 21 8 -1 22 9 -2 23 10 -2 11 14 1 11 19 1 12 15 1 12 22 1 27 13 -2 14 26 1 15 28 1 16 23 1 24 16 -2 17 21 1 17 25 1 18 20 1 18 21 1 19 24 1 20 25 1 22 27 1 23 25 1 24 28 1 26 27 1 26 28 1', '28 30 H 18.83 -9.19 H 17.09 -15.41 C 20.82 -12.27 C 16.82 -16.22 C 17.09 -11.56 O 17.09 -8.25 O 15.31 -17.56 O 21.13 -5.32 O 13.37 -15.14 O 20.82 -10.84 C 19.58 -14.43 C 14.61 -13.00 C 14.90 -16.22 C 18.34 -15.14 C 15.87 -12.27 C 18.34 -10.84 C 20.75 -7.83 O 18.83 -6.47 C 19.58 -13.00 C 18.44 -7.83 C 20.29 -6.47 C 14.61 -14.43 C 19.58 -10.11 C 18.34 -12.27 C 19.58 -8.67 C 17.09 -14.43 C 15.87 -15.14 C 17.09 -13.00 25 1 -1 26 2 -1 3 19 2 27 4 -1 28 5 -2 6 20 2 7 13 1 21 8 -1 22 9 -2 23 10 -2 11 14 1 11 19 1 12 15 1 12 22 1 27 13 -2 14 26 1 15 28 1 16 23 1 24 16 -2 17 21 1 17 25 1 18 20 1 18 21 1 19 24 1 20 25 1 22 27 1 23 25 1 24 28 1 26 27 1 26 28 1', '28 30 H 18.83 -9.19 H 17.09 -15.41 C:108 20.82 -12.27 C:24 16.82 -16.22 C:16 17.09 -11.56 O 17.09 -8.25 O 15.31 -17.56 O 21.13 -5.32 O 13.37 -15.14 O 20.82 -10.84 C:39 19.58 -14.43 C:29 14.61 -13.00 C:64 14.90 -16.22 C:25 18.34 -15.14 C:37 15.87 -12.27 C:30 18.34 -10.84 C:70 20.75 -7.83 O 18.83 -6.47 C:149 19.58 -13.00 C:178 18.44 -7.83 C:75 20.29 -6.47 C:80 14.61 -14.43 C:66 19.58 -10.11 C:52 18.34 -12.27 C:52 19.58 -8.67 C:56 17.09 -14.43 C:43 15.87 -15.14 C:39 17.09 -13.00 25 1 -1 26 2 -1 3 19 2 27 4 -1 28 5 -2 6 20 2 7 13 1 21 8 -1 22 9 -2 23 10 -2 11 14 1 11 19 1 12 15 1 12 22 1 27 13 -2 14 26 1 15 28 1 16 23 1 24 16 -2 17 21 1 17 25 1 18 20 1 18 21 1 19 24 1 20 25 1 22 27 1 23 25 1 24 28 1 26 27 1 26 28 1', 'C20H32O6', 368.226, 'P', 'np08_852_3', 3676, '', '', '1', 47, NULL, NULL),
(14322, '12R,13R-Hydroxyandrographolide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:13]3([C@@H:12](O)[CH2:11][C@@H:9]1[C:8](=[CH2:17])[CH2:7][CH2:6][C@:5]2([H])[C@:4]([CH3:18])([CH2:19]O)[C@H:3](O)[CH2:2][CH2:1][C@@:10]12[CH3:20])[CH2:14][C@H:15](O)O[C:16]3=O', '[H][C@@]3([C@@H](O)C[C@@H]1C(=C)CC[C@]2([H])[C@](C)(CO)[C@H](O)CC[C@@]12C)C[C@H](O)OC3=O', '[H][C@@:54]3([C@@H:71](O)[CH2:30][C@@H:53]1[C:149](=[CH2:107])[CH2:39][CH2:25][C@:56]2([H])[C@:43]([CH3:24])([CH2:64]O)[C@H:80](O)[CH2:29][CH2:37][C@@:40]12[CH3:16])[CH2:73][C@H:76](O)O[C:177]3=O', '28 30 H 18.83 -9.19 H 17.09 -15.41 C:17 20.82 -12.27 C:18 16.82 -16.22 C:20 17.09 -11.56 O 17.09 -8.25 O 15.31 -17.56 O 21.13 -5.32 O 13.37 -15.14 O 20.82 -10.84 C:7 19.58 -14.43 C:2 14.61 -13.00 C:19 14.90 -16.22 C:6 18.34 -15.14 C:1 15.87 -12.27 C:11 18.34 -10.84 C:14 20.75 -7.83 O 18.83 -6.47 C:8 19.58 -13.00 C:16 18.44 -7.83 C:15 20.29 -6.47 C:3 14.61 -14.43 C:12 19.58 -10.11 C:9 18.34 -12.27 C:13 19.58 -8.67 C:5 17.09 -14.43 C:4 15.87 -15.14 C:10 17.09 -13.00 25 1 -2 26 2 -1 3 19 2 27 4 -1 28 5 -2 6 20 2 7 13 1 21 8 -1 22 9 -2 23 10 -1 11 14 1 11 19 1 12 15 1 12 22 1 27 13 -2 14 26 1 15 28 1 16 23 1 24 16 -2 17 21 1 17 25 1 18 20 1 18 21 1 19 24 1 20 25 1 22 27 1 23 25 1 24 28 1 26 27 1 26 28 1', '28 30 H 18.83 -9.19 H 17.09 -15.41 C 20.82 -12.27 C 16.82 -16.22 C 17.09 -11.56 O 17.09 -8.25 O 15.31 -17.56 O 21.13 -5.32 O 13.37 -15.14 O 20.82 -10.84 C 19.58 -14.43 C 14.61 -13.00 C 14.90 -16.22 C 18.34 -15.14 C 15.87 -12.27 C 18.34 -10.84 C 20.75 -7.83 O 18.83 -6.47 C 19.58 -13.00 C 18.44 -7.83 C 20.29 -6.47 C 14.61 -14.43 C 19.58 -10.11 C 18.34 -12.27 C 19.58 -8.67 C 17.09 -14.43 C 15.87 -15.14 C 17.09 -13.00 25 1 -2 26 2 -1 3 19 2 27 4 -1 28 5 -2 6 20 2 7 13 1 21 8 -1 22 9 -2 23 10 -1 11 14 1 11 19 1 12 15 1 12 22 1 27 13 -2 14 26 1 15 28 1 16 23 1 24 16 -2 17 21 1 17 25 1 18 20 1 18 21 1 19 24 1 20 25 1 22 27 1 23 25 1 24 28 1 26 27 1 26 28 1', '28 30 H 18.83 -9.19 H 17.09 -15.41 C:107 20.82 -12.27 C:24 16.82 -16.22 C:16 17.09 -11.56 O 17.09 -8.25 O 15.31 -17.56 O 21.13 -5.32 O 13.37 -15.14 O 20.82 -10.84 C:39 19.58 -14.43 C:29 14.61 -13.00 C:64 14.90 -16.22 C:25 18.34 -15.14 C:37 15.87 -12.27 C:30 18.34 -10.84 C:73 20.75 -7.83 O 18.83 -6.47 C:149 19.58 -13.00 C:177 18.44 -7.83 C:76 20.29 -6.47 C:80 14.61 -14.43 C:71 19.58 -10.11 C:53 18.34 -12.27 C:54 19.58 -8.67 C:56 17.09 -14.43 C:43 15.87 -15.14 C:40 17.09 -13.00 25 1 -2 26 2 -1 3 19 2 27 4 -1 28 5 -2 6 20 2 7 13 1 21 8 -1 22 9 -2 23 10 -1 11 14 1 11 19 1 12 15 1 12 22 1 27 13 -2 14 26 1 15 28 1 16 23 1 24 16 -2 17 21 1 17 25 1 18 20 1 18 21 1 19 24 1 20 25 1 22 27 1 23 25 1 24 28 1 26 27 1 26 28 1', 'C20H32O6', 368.226, 'P', 'np08_852_4', 3676, '', '', '1', 47, NULL, NULL),
(14323, '', '8α,19-Dihydroxylabd-13E-en-15-oic acid', '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])=[CH:14][C:15](=O)O)[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](CCC(C)=CC(=O)O)[C@@]1(C)CCC[C@@]2(C)CO', '[H][C@@:49]12[CH2:20][CH2:44][C@@:74]([CH3:24])(O)[C@H:61]([CH2:24][CH2:45][C:163]([CH3:19])=[CH:115][C:170](=O)O)[C@@:39]1([CH3:16])[CH2:39][CH2:18][CH2:35][C@@:38]2([CH3:17])[CH2:72]O', '25 26 H 16.00 -15.09 C:16 17.23 -7.74 C:17 19.18 -11.52 C:19 13.82 -15.89 C:20 16.00 -11.29 O 18.47 -5.64 O 15.29 -17.24 O 20.91 -5.64 O 19.87 -12.72 C:14 19.69 -7.74 C:18 15.72 -15.89 C:2 13.54 -12.72 C:12 18.47 -9.87 C:11 17.23 -10.57 C:3 13.54 -14.14 C:1 14.77 -12.00 C:7 18.47 -14.14 C:6 17.23 -14.85 C:15 19.69 -6.34 C:13 18.47 -8.45 C:9 17.23 -12.00 C:8 18.47 -12.72 C:4 14.77 -14.85 C:5 16.00 -14.14 C:10 16.00 -12.72 24 1 -2 2 20 1 22 3 -1 23 4 -1 25 5 -1 6 19 2 7 11 1 8 19 1 22 9 -2 10 19 1 10 20 2 23 11 -2 12 15 1 12 16 1 13 14 1 13 20 1 21 14 -1 15 23 1 16 25 1 17 18 1 17 22 1 18 24 1 21 22 1 21 25 1 23 24 1 24 25 1', '25 26 H 16.00 -15.09 C 17.23 -7.74 C 19.18 -11.52 C 13.82 -15.89 C 16.00 -11.29 O 18.47 -5.64 O 15.29 -17.24 O 20.91 -5.64 O 19.87 -12.72 C 19.69 -7.74 C 15.72 -15.89 C 13.54 -12.72 C 18.47 -9.87 C 17.23 -10.57 C 13.54 -14.14 C 14.77 -12.00 C 18.47 -14.14 C 17.23 -14.85 C 19.69 -6.34 C 18.47 -8.45 C 17.23 -12.00 C 18.47 -12.72 C 14.77 -14.85 C 16.00 -14.14 C 16.00 -12.72 24 1 -2 2 20 1 22 3 -1 23 4 -1 25 5 -1 6 19 2 7 11 1 8 19 1 22 9 -2 10 19 1 10 20 2 23 11 -2 12 15 1 12 16 1 13 14 1 13 20 1 21 14 -1 15 23 1 16 25 1 17 18 1 17 22 1 18 24 1 21 22 1 21 25 1 23 24 1 24 25 1', '25 26 H 16.00 -15.09 C:19 17.23 -7.74 C:24 19.18 -11.52 C:17 13.82 -15.89 C:16 16.00 -11.29 O 18.47 -5.64 O 15.29 -17.24 O 20.91 -5.64 O 19.87 -12.72 C:115 19.69 -7.74 C:72 15.72 -15.89 C:18 13.54 -12.72 C:45 18.47 -9.87 C:24 17.23 -10.57 C:35 13.54 -14.14 C:39 14.77 -12.00 C:44 18.47 -14.14 C:20 17.23 -14.85 C:170 19.69 -6.34 C:163 18.47 -8.45 C:61 17.23 -12.00 C:74 18.47 -12.72 C:38 14.77 -14.85 C:49 16.00 -14.14 C:39 16.00 -12.72 24 1 -2 2 20 1 22 3 -1 23 4 -1 25 5 -1 6 19 2 7 11 1 8 19 1 22 9 -2 10 19 1 10 20 2 23 11 -2 12 15 1 12 16 1 13 14 1 13 20 1 21 14 -1 15 23 1 16 25 1 17 18 1 17 22 1 18 24 1 21 22 1 21 25 1 23 24 1 24 25 1', 'C20H34O4', 338.22, 'C', 'np08_1070_1', 3677, '', '', '1', 47, NULL, NULL),
(14324, '', '', '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])=[CH:14][C:15](=O)O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O', '[H][C@@]12CC[C@@](C)(O)[C@H](CCC(C)=CC(=O)O)[C@@]1(C)CCC[C@@]2(C)COC(C)=O', '[H][C@@:50]12[CH2:20][CH2:44][C@@:74]([CH3:24])(O)[C@H:61]([CH2:24][CH2:44][C:163]([CH3:19])=[CH:114][C:169](=O)O)[C@@:39]1([CH3:16])[CH2:39][CH2:18][CH2:36][C@@:36]2([CH3:17])[CH2:73]O[C:169]([CH3:21])=O', '28 29 H 16.00 -13.87 C:18002 15.81 -18.39 C:16 17.23 -6.52 C:17 19.18 -10.30 C:19 13.82 -14.67 C:20 16.00 -10.07 O 17.60 -16.77 O 18.47 -4.41 O 20.91 -4.41 O 19.87 -11.50 C:14 19.69 -6.52 C:2 13.54 -11.50 C:12 18.47 -8.65 C:11 17.23 -9.35 C:3 13.54 -12.92 C:1 14.77 -10.78 C:7 18.47 -12.92 C:6 17.23 -13.63 C:18 15.72 -14.67 O 15.29 -16.02 C:18001 16.23 -17.06 C:15 19.69 -5.12 C:13 18.47 -7.23 C:9 17.23 -10.78 C:8 18.47 -11.50 C:4 14.77 -13.63 C:5 16.00 -12.92 C:10 16.00 -11.50 27 1 -2 2 21 1 3 23 1 25 4 -1 26 5 -1 28 6 -1 7 21 2 8 22 2 9 22 1 25 10 -2 11 22 1 11 23 2 12 15 1 12 16 1 13 14 1 13 23 1 24 14 -1 15 26 1 16 28 1 17 18 1 17 25 1 18 27 1 19 20 1 26 19 -2 20 21 1 24 25 1 24 28 1 26 27 1 27 28 1', '28 29 H 16.00 -13.87 C 15.81 -18.39 C 17.23 -6.52 C 19.18 -10.30 C 13.82 -14.67 C 16.00 -10.07 O 17.60 -16.77 O 18.47 -4.41 O 20.91 -4.41 O 19.87 -11.50 C 19.69 -6.52 C 13.54 -11.50 C 18.47 -8.65 C 17.23 -9.35 C 13.54 -12.92 C 14.77 -10.78 C 18.47 -12.92 C 17.23 -13.63 C 15.72 -14.67 O 15.29 -16.02 C 16.23 -17.06 C 19.69 -5.12 C 18.47 -7.23 C 17.23 -10.78 C 18.47 -11.50 C 14.77 -13.63 C 16.00 -12.92 C 16.00 -11.50 27 1 -2 2 21 1 3 23 1 25 4 -1 26 5 -1 28 6 -1 7 21 2 8 22 2 9 22 1 25 10 -2 11 22 1 11 23 2 12 15 1 12 16 1 13 14 1 13 23 1 24 14 -1 15 26 1 16 28 1 17 18 1 17 25 1 18 27 1 19 20 1 26 19 -2 20 21 1 24 25 1 24 28 1 26 27 1 27 28 1', '28 29 H 16.00 -13.87 C:21 15.81 -18.39 C:19 17.23 -6.52 C:24 19.18 -10.30 C:17 13.82 -14.67 C:16 16.00 -10.07 O 17.60 -16.77 O 18.47 -4.41 O 20.91 -4.41 O 19.87 -11.50 C:114 19.69 -6.52 C:18 13.54 -11.50 C:44 18.47 -8.65 C:24 17.23 -9.35 C:36 13.54 -12.92 C:39 14.77 -10.78 C:44 18.47 -12.92 C:20 17.23 -13.63 C:73 15.72 -14.67 O 15.29 -16.02 C:169 16.23 -17.06 C:169 19.69 -5.12 C:163 18.47 -7.23 C:61 17.23 -10.78 C:74 18.47 -11.50 C:36 14.77 -13.63 C:50 16.00 -12.92 C:39 16.00 -11.50 27 1 -2 2 21 1 3 23 1 25 4 -1 26 5 -1 28 6 -1 7 21 2 8 22 2 9 22 1 25 10 -2 11 22 1 11 23 2 12 15 1 12 16 1 13 14 1 13 23 1 24 14 -1 15 26 1 16 28 1 17 18 1 17 25 1 18 27 1 19 20 1 26 19 -2 20 21 1 24 25 1 24 28 1 26 27 1 27 28 1', 'C22H36O5', 380.24, 'C', 'np08_1070_1a', 3677, '', '', '1', 47, NULL, NULL),
(14325, '', '13,14,15,16-Tetranorlabdane-8α,12,14-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12]O)[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](CCO)[C@@]1(C)CCC[C@@]2(C)CO', '[H][C@@:49]12[CH2:20][CH2:44][C@@:73]([CH3:25])(O)[C@H:59]([CH2:28][CH2:64]O)[C@@:39]1([CH3:16])[CH2:39][CH2:18][CH2:35][C@@:38]2([CH3:17])[CH2:72]O', '20 21 H 16.54 -13.67 C:17 19.72 -10.10 C:19 14.35 -14.48 C:20 16.54 -9.87 O 19.01 -7.02 O 15.82 -15.83 O 20.41 -11.30 C:12 19.01 -8.44 C:2 14.07 -11.30 C:18 16.26 -14.48 C:11 17.77 -9.14 C:3 14.07 -12.72 C:1 15.30 -10.58 C:7 19.01 -12.72 C:6 17.77 -13.43 C:9 17.77 -10.58 C:8 19.01 -11.30 C:4 15.30 -13.43 C:5 16.54 -12.72 C:10 16.54 -11.30 19 1 -2 17 2 -1 18 3 -1 20 4 -1 5 8 1 6 10 1 17 7 -2 8 11 1 9 12 1 9 13 1 18 10 -2 16 11 -1 12 18 1 13 20 1 14 15 1 14 17 1 15 19 1 16 17 1 16 20 1 18 19 1 19 20 1', '20 21 H 16.54 -13.67 C 19.72 -10.10 C 14.35 -14.48 C 16.54 -9.87 O 19.01 -7.02 O 15.82 -15.83 O 20.41 -11.30 C 19.01 -8.44 C 14.07 -11.30 C 16.26 -14.48 C 17.77 -9.14 C 14.07 -12.72 C 15.30 -10.58 C 19.01 -12.72 C 17.77 -13.43 C 17.77 -10.58 C 19.01 -11.30 C 15.30 -13.43 C 16.54 -12.72 C 16.54 -11.30 19 1 -2 17 2 -1 18 3 -1 20 4 -1 5 8 1 6 10 1 17 7 -2 8 11 1 9 12 1 9 13 1 18 10 -2 16 11 -1 12 18 1 13 20 1 14 15 1 14 17 1 15 19 1 16 17 1 16 20 1 18 19 1 19 20 1', '20 21 H 16.54 -13.67 C:25 19.72 -10.10 C:17 14.35 -14.48 C:16 16.54 -9.87 O 19.01 -7.02 O 15.82 -15.83 O 20.41 -11.30 C:64 19.01 -8.44 C:18 14.07 -11.30 C:72 16.26 -14.48 C:28 17.77 -9.14 C:35 14.07 -12.72 C:39 15.30 -10.58 C:44 19.01 -12.72 C:20 17.77 -13.43 C:59 17.77 -10.58 C:73 19.01 -11.30 C:38 15.30 -13.43 C:49 16.54 -12.72 C:39 16.54 -11.30 19 1 -2 17 2 -1 18 3 -1 20 4 -1 5 8 1 6 10 1 17 7 -2 8 11 1 9 12 1 9 13 1 18 10 -2 16 11 -1 12 18 1 13 20 1 14 15 1 14 17 1 15 19 1 16 17 1 16 20 1 18 19 1 19 20 1', 'C16H30O3', 270.177, 'C', 'np08_1070_2', 3677, '', '', '1', 47, NULL, NULL),
(14326, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH2:12]O[C:12001]([CH3:12002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O', '[H][C@@]12CC[C@@](C)(O)[C@H](CCOC(C)=O)[C@@]1(C)CCC[C@@]2(C)COC(C)=O', '[H][C@@:50]12[CH2:20][CH2:44][C@@:73]([CH3:24])(O)[C@H:58]([CH2:25][CH2:66]O[C:171]([CH3:21])=O)[C@@:39]1([CH3:16])[CH2:39][CH2:18][CH2:36][C@@:37]2([CH3:17])[CH2:73]O[C:171]([CH3:21])=O', '26 27 H 16.06 -13.51 C:12002 19.74 -4.76 C:18002 15.85 -18.06 C:17 19.23 -9.95 C:19 13.86 -14.32 C:20 16.06 -9.72 O 20.96 -6.86 O 17.64 -16.41 O 19.92 -11.15 C:2 13.58 -11.15 C:12 18.53 -8.28 C:11 17.29 -8.98 C:3 13.58 -12.56 C:1 14.81 -10.43 C:7 18.53 -12.56 C:6 17.29 -13.27 C:18 15.78 -14.32 O 18.53 -6.86 O 15.34 -15.67 C:12001 19.74 -6.16 C:18001 16.28 -16.71 C:9 17.29 -10.43 C:8 18.53 -11.15 C:4 14.81 -13.27 C:5 16.06 -12.56 C:10 16.06 -11.15 25 1 -2 2 20 1 3 21 1 23 4 -1 24 5 -1 26 6 -1 7 20 2 8 21 2 23 9 -2 10 13 1 10 14 1 11 12 1 11 18 1 22 12 -1 13 24 1 14 26 1 15 16 1 15 23 1 16 25 1 17 19 1 24 17 -2 18 20 1 19 21 1 22 23 1 22 26 1 24 25 1 25 26 1', '26 27 H 16.06 -13.51 C 19.74 -4.76 C 15.85 -18.06 C 19.23 -9.95 C 13.86 -14.32 C 16.06 -9.72 O 20.96 -6.86 O 17.64 -16.41 O 19.92 -11.15 C 13.58 -11.15 C 18.53 -8.28 C 17.29 -8.98 C 13.58 -12.56 C 14.81 -10.43 C 18.53 -12.56 C 17.29 -13.27 C 15.78 -14.32 O 18.53 -6.86 O 15.34 -15.67 C 19.74 -6.16 C 16.28 -16.71 C 17.29 -10.43 C 18.53 -11.15 C 14.81 -13.27 C 16.06 -12.56 C 16.06 -11.15 25 1 -2 2 20 1 3 21 1 23 4 -1 24 5 -1 26 6 -1 7 20 2 8 21 2 23 9 -2 10 13 1 10 14 1 11 12 1 11 18 1 22 12 -1 13 24 1 14 26 1 15 16 1 15 23 1 16 25 1 17 19 1 24 17 -2 18 20 1 19 21 1 22 23 1 22 26 1 24 25 1 25 26 1', '26 27 H 16.06 -13.51 C:21 19.74 -4.76 C:21 15.85 -18.06 C:24 19.23 -9.95 C:17 13.86 -14.32 C:16 16.06 -9.72 O 20.96 -6.86 O 17.64 -16.41 O 19.92 -11.15 C:18 13.58 -11.15 C:66 18.53 -8.28 C:25 17.29 -8.98 C:36 13.58 -12.56 C:39 14.81 -10.43 C:44 18.53 -12.56 C:20 17.29 -13.27 C:73 15.78 -14.32 O 18.53 -6.86 O 15.34 -15.67 C:171 19.74 -6.16 C:171 16.28 -16.71 C:58 17.29 -10.43 C:73 18.53 -11.15 C:37 14.81 -13.27 C:50 16.06 -12.56 C:39 16.06 -11.15 25 1 -2 2 20 1 3 21 1 23 4 -1 24 5 -1 26 6 -1 7 20 2 8 21 2 23 9 -2 10 13 1 10 14 1 11 12 1 11 18 1 22 12 -1 13 24 1 14 26 1 15 16 1 15 23 1 16 25 1 17 19 1 24 17 -2 18 20 1 19 21 1 22 23 1 22 26 1 24 25 1 25 26 1', 'C20H34O5', 354.219, 'C', 'np08_1070_2a', 3677, '', '', '1', 47, NULL, NULL),
(14327, '', '8α-O-α-D-Glucopyranosyllabd-13E-ene-15,19-diol-8R-2′,3′,4′,6′-hexaacetate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]([CH3:17])(O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[C:15001]([CH3:15002])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O', '[H][C@@]23CC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](CCC(C)=CCOC(C)=O)[C@@]2(C)CCC[C@@]3(C)COC(C)=O', '[H][C@@:50]23[CH2:20][CH2:40][C@@:82]([CH3:21])(O[C@@H:94]1O[C@H:71]([CH2:62]O)[C@@H:69](O)[C@H:73](O)[C@H:72]1O)[C@H:60]([CH2:24][CH2:43][C:144]([CH3:16])=[CH:117][CH2:62]O[C:169]([CH3:21])=O)[C@@:39]2([CH3:16])[CH2:39][CH2:17][CH2:36][C@@:36]3([CH3:17])[CH2:73]O[C:171]([CH3:21])=O', '41 43 H 14.44 -14.93 C:15002 15.67 -3.38 C:18002 14.25 -19.47 C:16 15.67 -7.59 C:19 12.27 -15.73 C:17 17.62 -11.37 C:20 14.44 -11.14 O 18.13 -3.38 O 16.04 -17.84 O 16.91 -17.42 O 22.51 -14.98 O 21.11 -17.42 O 21.11 -12.57 C:14 18.13 -7.59 C:106 18.31 -17.42 C:2 11.99 -12.57 C:15 18.13 -6.19 C:12 16.91 -9.72 C:11 15.67 -10.42 C:3 11.99 -13.98 C:1 13.21 -11.85 C:7 16.91 -13.98 C:6 15.67 -14.69 C:18 14.16 -15.73 O 16.91 -5.49 O 13.73 -17.09 O 18.31 -14.98 O 18.31 -12.57 C:15001 16.91 -4.09 C:18001 14.67 -18.13 C:13 16.91 -8.30 C:103 21.11 -14.98 C:104 20.41 -16.20 C:102 20.41 -13.77 C:105 19.01 -16.20 C:101 19.01 -13.77 C:9 15.67 -11.85 C:4 13.21 -14.69 C:8 16.91 -12.57 C:5 14.44 -13.98 C:10 14.44 -12.57 40 1 -2 2 29 1 3 30 1 4 31 1 38 5 -1 39 6 -1 41 7 -1 8 29 2 9 30 2 10 15 1 32 11 -1 33 12 -2 34 13 -2 14 17 1 14 31 2 35 15 -1 16 20 1 16 21 1 17 25 1 18 19 1 18 31 1 37 19 -1 20 38 1 21 41 1 22 23 1 22 39 1 23 40 1 24 26 1 38 24 -2 25 29 1 26 30 1 27 35 1 27 36 1 36 28 -1 39 28 -2 32 33 1 32 34 1 33 35 1 34 36 1 37 39 1 37 41 1 38 40 1 40 41 1', '41 43 H 14.44 -14.93 C 15.67 -3.38 C 14.25 -19.47 C 15.67 -7.59 C 12.27 -15.73 C 17.62 -11.37 C 14.44 -11.14 O 18.13 -3.38 O 16.04 -17.84 O 16.91 -17.42 O 22.51 -14.98 O 21.11 -17.42 O 21.11 -12.57 C 18.13 -7.59 C 18.31 -17.42 C 11.99 -12.57 C 18.13 -6.19 C 16.91 -9.72 C 15.67 -10.42 C 11.99 -13.98 C 13.21 -11.85 C 16.91 -13.98 C 15.67 -14.69 C 14.16 -15.73 O 16.91 -5.49 O 13.73 -17.09 O 18.31 -14.98 O 18.31 -12.57 C 16.91 -4.09 C 14.67 -18.13 C 16.91 -8.30 C 21.11 -14.98 C 20.41 -16.20 C 20.41 -13.77 C 19.01 -16.20 C 19.01 -13.77 C 15.67 -11.85 C 13.21 -14.69 C 16.91 -12.57 C 14.44 -13.98 C 14.44 -12.57 40 1 -2 2 29 1 3 30 1 4 31 1 38 5 -1 39 6 -1 41 7 -1 8 29 2 9 30 2 10 15 1 32 11 -1 33 12 -2 34 13 -2 14 17 1 14 31 2 35 15 -1 16 20 1 16 21 1 17 25 1 18 19 1 18 31 1 37 19 -1 20 38 1 21 41 1 22 23 1 22 39 1 23 40 1 24 26 1 38 24 -2 25 29 1 26 30 1 27 35 1 27 36 1 36 28 -1 39 28 -2 32 33 1 32 34 1 33 35 1 34 36 1 37 39 1 37 41 1 38 40 1 40 41 1', '41 43 H 14.44 -14.93 C:21 15.67 -3.38 C:21 14.25 -19.47 C:16 15.67 -7.59 C:17 12.27 -15.73 C:21 17.62 -11.37 C:16 14.44 -11.14 O 18.13 -3.38 O 16.04 -17.84 O 16.91 -17.42 O 22.51 -14.98 O 21.11 -17.42 O 21.11 -12.57 C:117 18.13 -7.59 C:62 18.31 -17.42 C:17 11.99 -12.57 C:62 18.13 -6.19 C:43 16.91 -9.72 C:24 15.67 -10.42 C:36 11.99 -13.98 C:39 13.21 -11.85 C:40 16.91 -13.98 C:20 15.67 -14.69 C:73 14.16 -15.73 O 16.91 -5.49 O 13.73 -17.09 O 18.31 -14.98 O 18.31 -12.57 C:169 16.91 -4.09 C:171 14.67 -18.13 C:144 16.91 -8.30 C:73 21.11 -14.98 C:69 20.41 -16.20 C:72 20.41 -13.77 C:71 19.01 -16.20 C:94 19.01 -13.77 C:60 15.67 -11.85 C:36 13.21 -14.69 C:82 16.91 -12.57 C:50 14.44 -13.98 C:39 14.44 -12.57 40 1 -2 2 29 1 3 30 1 4 31 1 38 5 -1 39 6 -1 41 7 -1 8 29 2 9 30 2 10 15 1 32 11 -1 33 12 -2 34 13 -2 14 17 1 14 31 2 35 15 -1 16 20 1 16 21 1 17 25 1 18 19 1 18 31 1 37 19 -1 20 38 1 21 41 1 22 23 1 22 39 1 23 40 1 24 26 1 38 24 -2 25 29 1 26 30 1 27 35 1 27 36 1 36 28 -1 39 28 -2 32 33 1 32 34 1 33 35 1 34 36 1 37 39 1 37 41 1 38 40 1 40 41 1', 'C30H50O10', 570.323, 'C', 'np08_1070_3a', 3677, '', '', '1', 47, 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
(14328, 'Acetoxymanoyl 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])([CH3:18])[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)(C)CCC[C@]23C', '[H][C@:54]12[CH2:15][CH2:35][C@:74]([CH3:29])([CH:148]=[CH2:110])O[C@:74]1([CH3:27])[CH2:50][C@H:71](O[C:170]([CH3:22])=O)[C@@:59]3([H])[C@:34]([CH3:22])([CH3:36])[CH2:43][CH2:18][CH2:39][C@:38]23[CH3:16]', '27 29 H 16.63 -10.70 H 15.39 -12.81 C:15 21.59 -8.25 C:6002 17.86 -16.07 C:19 13.19 -13.63 C:18 15.11 -13.63 C:16 19.11 -6.82 C:17 17.86 -8.96 C:20 15.39 -8.96 O 19.05 -13.97 C:14 20.34 -7.53 C:2 12.91 -10.41 C:3 12.91 -11.85 C:12 17.86 -7.53 C:11 16.63 -8.25 C:1 14.14 -9.69 C:7 17.86 -11.85 O 16.63 -13.97 O 19.11 -9.69 C:6001 17.86 -14.67 C:6 16.63 -12.57 C:4 14.14 -12.57 C:13 19.11 -8.25 C:9 16.63 -9.69 C:8 17.86 -10.41 C:5 15.39 -11.85 C:10 15.39 -10.41 24 1 -2 26 2 -2 3 11 2 4 20 1 22 5 -1 22 6 -2 23 7 -1 25 8 -1 27 9 -1 10 20 2 23 11 -2 12 13 1 12 16 1 13 22 1 14 15 1 14 23 1 15 24 1 16 27 1 17 21 1 17 25 1 18 20 1 21 18 -2 19 23 1 19 25 1 21 26 1 22 26 1 24 25 1 24 27 1 26 27 1', '27 29 H 16.63 -10.70 H 15.39 -12.81 C 21.59 -8.25 C 17.86 -16.07 C 13.19 -13.63 C 15.11 -13.63 C 19.11 -6.82 C 17.86 -8.96 C 15.39 -8.96 O 19.05 -13.97 C 20.34 -7.53 C 12.91 -10.41 C 12.91 -11.85 C 17.86 -7.53 C 16.63 -8.25 C 14.14 -9.69 C 17.86 -11.85 O 16.63 -13.97 O 19.11 -9.69 C 17.86 -14.67 C 16.63 -12.57 C 14.14 -12.57 C 19.11 -8.25 C 16.63 -9.69 C 17.86 -10.41 C 15.39 -11.85 C 15.39 -10.41 24 1 -2 26 2 -2 3 11 2 4 20 1 22 5 -1 22 6 -2 23 7 -1 25 8 -1 27 9 -1 10 20 2 23 11 -2 12 13 1 12 16 1 13 22 1 14 15 1 14 23 1 15 24 1 16 27 1 17 21 1 17 25 1 18 20 1 21 18 -2 19 23 1 19 25 1 21 26 1 22 26 1 24 25 1 24 27 1 26 27 1', '27 29 H 16.63 -10.70 H 15.39 -12.81 C:110 21.59 -8.25 C:22 17.86 -16.07 C:22 13.19 -13.63 C:36 15.11 -13.63 C:29 19.11 -6.82 C:27 17.86 -8.96 C:16 15.39 -8.96 O 19.05 -13.97 C:148 20.34 -7.53 C:18 12.91 -10.41 C:43 12.91 -11.85 C:35 17.86 -7.53 C:15 16.63 -8.25 C:39 14.14 -9.69 C:50 17.86 -11.85 O 16.63 -13.97 O 19.11 -9.69 C:170 17.86 -14.67 C:71 16.63 -12.57 C:34 14.14 -12.57 C:74 19.11 -8.25 C:54 16.63 -9.69 C:74 17.86 -10.41 C:59 15.39 -11.85 C:38 15.39 -10.41 24 1 -2 26 2 -2 3 11 2 4 20 1 22 5 -1 22 6 -2 23 7 -1 25 8 -1 27 9 -1 10 20 2 23 11 -2 12 13 1 12 16 1 13 22 1 14 15 1 14 23 1 15 24 1 16 27 1 17 21 1 17 25 1 18 20 1 21 18 -2 19 23 1 19 25 1 21 26 1 22 26 1 24 25 1 24 27 1 26 27 1', 'C22H36O3', 348.249, 'C', 'np08_1291_1', 3678, '', '', '1', 47, NULL, NULL),
(14329, 'Malonyloxymanoyl 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](=O)[CH2:6002][C:6003](=O)O)[C@@:5]3([H])[C@@:4]([CH3:18])([CH3:19])[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(=O)CC(=O)O)[C@@]3([H])[C@@](C)(C)CCC[C@]23C', '[H][C@:54]12[CH2:15][CH2:35][C@:74]([CH3:29])([CH:148]=[CH2:111])O[C@:74]1([CH3:26])[CH2:49][C@H:72](O[C:174](=O)[CH2:44][C:171](=O)O)[C@@:59]3([H])[C@@:33]([CH3:36])([CH3:23])[CH2:43][CH2:18][CH2:39][C@:38]23[CH3:17]', '30 32 H 16.63 -9.64 H 15.39 -11.76 C:15 21.59 -7.18 C:18 15.11 -12.58 C:19 13.20 -12.58 C:16 19.07 -5.75 C:17 17.86 -7.90 C:20 15.39 -7.90 O 20.29 -15.00 O 19.07 -12.92 O 19.07 -17.10 C:14 20.29 -6.46 C:2 12.92 -9.35 C:3 12.92 -10.80 C:12 17.86 -6.46 C:11 16.63 -7.18 C:1 14.15 -8.63 C:6002 17.86 -15.00 C:7 17.86 -10.80 O 16.63 -12.92 O 19.07 -8.63 C:6003 19.07 -15.70 C:6001 17.86 -13.62 C:6 16.63 -11.52 C:4 14.15 -11.52 C:13 19.07 -7.18 C:9 16.63 -8.63 C:8 17.86 -9.35 C:5 15.39 -10.80 C:10 15.39 -9.35 27 1 -2 29 2 -2 3 12 2 25 4 -2 25 5 -1 26 6 -1 28 7 -1 30 8 -1 9 22 2 10 23 2 11 22 1 26 12 -2 13 14 1 13 17 1 14 25 1 15 16 1 15 26 1 16 27 1 17 30 1 18 22 1 18 23 1 19 24 1 19 28 1 20 23 1 24 20 -2 21 26 1 21 28 1 24 29 1 25 29 1 27 28 1 27 30 1 29 30 1', '30 32 H 16.63 -9.64 H 15.39 -11.76 C 21.59 -7.18 C 15.11 -12.58 C 13.20 -12.58 C 19.07 -5.75 C 17.86 -7.90 C 15.39 -7.90 O 20.29 -15.00 O 19.07 -12.92 O 19.07 -17.10 C 20.29 -6.46 C 12.92 -9.35 C 12.92 -10.80 C 17.86 -6.46 C 16.63 -7.18 C 14.15 -8.63 C 17.86 -15.00 C 17.86 -10.80 O 16.63 -12.92 O 19.07 -8.63 C 19.07 -15.70 C 17.86 -13.62 C 16.63 -11.52 C 14.15 -11.52 C 19.07 -7.18 C 16.63 -8.63 C 17.86 -9.35 C 15.39 -10.80 C 15.39 -9.35 27 1 -2 29 2 -2 3 12 2 25 4 -2 25 5 -1 26 6 -1 28 7 -1 30 8 -1 9 22 2 10 23 2 11 22 1 26 12 -2 13 14 1 13 17 1 14 25 1 15 16 1 15 26 1 16 27 1 17 30 1 18 22 1 18 23 1 19 24 1 19 28 1 20 23 1 24 20 -2 21 26 1 21 28 1 24 29 1 25 29 1 27 28 1 27 30 1 29 30 1', '30 32 H 16.63 -9.64 H 15.39 -11.76 C:111 21.59 -7.18 C:36 15.11 -12.58 C:23 13.20 -12.58 C:29 19.07 -5.75 C:26 17.86 -7.90 C:17 15.39 -7.90 O 20.29 -15.00 O 19.07 -12.92 O 19.07 -17.10 C:148 20.29 -6.46 C:18 12.92 -9.35 C:43 12.92 -10.80 C:35 17.86 -6.46 C:15 16.63 -7.18 C:39 14.15 -8.63 C:44 17.86 -15.00 C:49 17.86 -10.80 O 16.63 -12.92 O 19.07 -8.63 C:171 19.07 -15.70 C:174 17.86 -13.62 C:72 16.63 -11.52 C:33 14.15 -11.52 C:74 19.07 -7.18 C:54 16.63 -8.63 C:74 17.86 -9.35 C:59 15.39 -10.80 C:38 15.39 -9.35 27 1 -2 29 2 -2 3 12 2 25 4 -2 25 5 -1 26 6 -1 28 7 -1 30 8 -1 9 22 2 10 23 2 11 22 1 26 12 -2 13 14 1 13 17 1 14 25 1 15 16 1 15 26 1 16 27 1 17 30 1 18 22 1 18 23 1 19 24 1 19 28 1 20 23 1 24 20 -2 21 26 1 21 28 1 24 29 1 25 29 1 27 28 1 27 30 1 29 30 1', 'C23H36O5', 392.259, 'C', 'np08_1291_2', 3678, '', '', '1', 47, NULL, NULL),
(14330, 'Malonyloxy-n-butyl ester 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:6001](=O)[CH2:6002][C:6003](=O)O[CH2:6005][CH2:6006][CH2:6007][CH3:6008])[C@@:5]3([H])[C@@:4]([CH3:18])([CH3:19])[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(=O)CC(=O)OCCCC)[C@@]3([H])[C@@](C)(C)CCC[C@]23C', '[H][C@:55]12[CH2:16][CH2:35][C@:73]([CH3:29])([CH:147]=[CH2:110])O[C@:74]1([CH3:27])[CH2:50][C@H:72](O[C:167](=O)[CH2:43][C:166](=O)O[CH2:66][CH2:36][CH2:20][CH3:14])[C@@:59]3([H])[C@@:33]([CH3:36])([CH3:22])[CH2:44][CH2:18][CH2:39][C@:38]23[CH3:17]', '34 36 H 16.64 -7.51 H 15.40 -9.63 C:15 21.60 -5.05 C:6008 21.50 -19.18 C:18 15.12 -10.46 C:19 13.21 -10.46 C:16 19.08 -3.62 C:17 17.87 -5.77 C:20 15.40 -5.77 O 20.29 -12.88 O 19.08 -10.80 C:14 20.29 -4.33 C:6007 21.50 -17.78 C:6006 20.29 -17.08 C:2 12.93 -7.22 C:6005 20.29 -15.68 C:6002 17.87 -12.88 C:3 12.93 -8.67 C:1 14.16 -6.50 C:12 17.87 -4.33 C:11 16.64 -5.05 C:7 17.87 -8.67 O 19.08 -14.98 O 16.64 -10.80 O 19.08 -6.50 C:6003 19.08 -13.58 C:6001 17.87 -11.50 C:6 16.64 -9.39 C:4 14.16 -9.39 C:13 19.08 -5.05 C:9 16.64 -6.50 C:8 17.87 -7.22 C:5 15.40 -8.67 C:10 15.40 -7.22 31 1 -2 33 2 -2 3 12 2 4 13 1 29 5 -2 29 6 -1 30 7 -1 32 8 -1 34 9 -1 10 26 2 11 27 2 30 12 -2 13 14 1 14 16 1 15 18 1 15 19 1 16 23 1 17 26 1 17 27 1 18 29 1 19 34 1 20 21 1 20 30 1 21 31 1 22 28 1 22 32 1 23 26 1 24 27 1 28 24 -2 25 30 1 25 32 1 28 33 1 29 33 1 31 32 1 31 34 1 33 34 1', '34 36 H 16.64 -7.51 H 15.40 -9.63 C 21.60 -5.05 C 21.50 -19.18 C 15.12 -10.46 C 13.21 -10.46 C 19.08 -3.62 C 17.87 -5.77 C 15.40 -5.77 O 20.29 -12.88 O 19.08 -10.80 C 20.29 -4.33 C 21.50 -17.78 C 20.29 -17.08 C 12.93 -7.22 C 20.29 -15.68 C 17.87 -12.88 C 12.93 -8.67 C 14.16 -6.50 C 17.87 -4.33 C 16.64 -5.05 C 17.87 -8.67 O 19.08 -14.98 O 16.64 -10.80 O 19.08 -6.50 C 19.08 -13.58 C 17.87 -11.50 C 16.64 -9.39 C 14.16 -9.39 C 19.08 -5.05 C 16.64 -6.50 C 17.87 -7.22 C 15.40 -8.67 C 15.40 -7.22 31 1 -2 33 2 -2 3 12 2 4 13 1 29 5 -2 29 6 -1 30 7 -1 32 8 -1 34 9 -1 10 26 2 11 27 2 30 12 -2 13 14 1 14 16 1 15 18 1 15 19 1 16 23 1 17 26 1 17 27 1 18 29 1 19 34 1 20 21 1 20 30 1 21 31 1 22 28 1 22 32 1 23 26 1 24 27 1 28 24 -2 25 30 1 25 32 1 28 33 1 29 33 1 31 32 1 31 34 1 33 34 1', '34 36 H 16.64 -7.51 H 15.40 -9.63 C:110 21.60 -5.05 C:14 21.50 -19.18 C:36 15.12 -10.46 C:22 13.21 -10.46 C:29 19.08 -3.62 C:27 17.87 -5.77 C:17 15.40 -5.77 O 20.29 -12.88 O 19.08 -10.80 C:147 20.29 -4.33 C:20 21.50 -17.78 C:36 20.29 -17.08 C:18 12.93 -7.22 C:66 20.29 -15.68 C:43 17.87 -12.88 C:44 12.93 -8.67 C:39 14.16 -6.50 C:35 17.87 -4.33 C:16 16.64 -5.05 C:50 17.87 -8.67 O 19.08 -14.98 O 16.64 -10.80 O 19.08 -6.50 C:166 19.08 -13.58 C:167 17.87 -11.50 C:72 16.64 -9.39 C:33 14.16 -9.39 C:73 19.08 -5.05 C:55 16.64 -6.50 C:74 17.87 -7.22 C:59 15.40 -8.67 C:38 15.40 -7.22 31 1 -2 33 2 -2 3 12 2 4 13 1 29 5 -2 29 6 -1 30 7 -1 32 8 -1 34 9 -1 10 26 2 11 27 2 30 12 -2 13 14 1 14 16 1 15 18 1 15 19 1 16 23 1 17 26 1 17 27 1 18 29 1 19 34 1 20 21 1 20 30 1 21 31 1 22 28 1 22 32 1 23 26 1 24 27 1 28 24 -2 25 30 1 25 32 1 28 33 1 29 33 1 31 32 1 31 34 1 33 34 1', 'C27H44O5', 448.302, 'C', 'np08_1291_3', 3678, '', '', '1', 47, NULL, NULL),
(14331, 'Cyllenine C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@H:6]4[CH2:7][C@@H:8]([CH3:17])[C@:9]1([CH2:11][CH2:12][C:13](=O)O1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O4', '[H][C@@]23[C@H]4C[C@@H](C)[C@]1(CCC(=O)O1)[C@@]2(C)CCC[C@]3(C)C(=O)O4', '[H][C@@:45]23[C@H:76]4[CH2:31][C@@H:32]([CH3:15])[C@:91]1([CH2:25][CH2:29][C:177](=O)O1)[C@@:39]2([CH3:22])[CH2:28][CH2:18][CH2:28][C@:44]3([CH3:22])[C:183](=O)O4', '22 25 H 16.64 -13.23 C:17 20.36 -10.14 C:18 14.42 -14.19 C:20 16.02 -9.63 O 20.07 -7.38 O 15.12 -15.42 C:2 14.15 -10.87 C:12 17.75 -7.86 C:3 14.15 -12.28 C:1 15.38 -10.14 C:11 17.03 -9.20 C:7 19.16 -12.28 O 17.53 -14.30 O 19.16 -9.49 C:13 18.99 -8.25 C:19 15.96 -14.30 C:8 19.16 -10.87 C:6 17.88 -12.98 C:4 15.38 -12.98 C:10 16.64 -10.87 C:5 16.64 -12.28 C:9 17.88 -10.14 21 1 -2 17 2 -2 19 3 -2 20 4 -1 5 15 2 6 16 2 7 9 1 7 10 1 8 11 1 8 15 1 9 19 1 10 20 1 22 11 -1 12 17 1 12 18 1 13 16 1 18 13 -1 14 15 1 22 14 -2 16 19 1 17 22 1 18 21 1 19 21 1 20 21 1 20 22 1', '22 25 H 16.64 -13.23 C 20.36 -10.14 C 14.42 -14.19 C 16.02 -9.63 O 20.07 -7.38 O 15.12 -15.42 C 14.15 -10.87 C 17.75 -7.86 C 14.15 -12.28 C 15.38 -10.14 C 17.03 -9.20 C 19.16 -12.28 O 17.53 -14.30 O 19.16 -9.49 C 18.99 -8.25 C 15.96 -14.30 C 19.16 -10.87 C 17.88 -12.98 C 15.38 -12.98 C 16.64 -10.87 C 16.64 -12.28 C 17.88 -10.14 21 1 -2 17 2 -2 19 3 -2 20 4 -1 5 15 2 6 16 2 7 9 1 7 10 1 8 11 1 8 15 1 9 19 1 10 20 1 22 11 -1 12 17 1 12 18 1 13 16 1 18 13 -1 14 15 1 22 14 -2 16 19 1 17 22 1 18 21 1 19 21 1 20 21 1 20 22 1', '22 25 H 16.64 -13.23 C:15 20.36 -10.14 C:22 14.42 -14.19 C:22 16.02 -9.63 O 20.07 -7.38 O 15.12 -15.42 C:18 14.15 -10.87 C:29 17.75 -7.86 C:28 14.15 -12.28 C:28 15.38 -10.14 C:25 17.03 -9.20 C:31 19.16 -12.28 O 17.53 -14.30 O 19.16 -9.49 C:177 18.99 -8.25 C:183 15.96 -14.30 C:32 19.16 -10.87 C:76 17.88 -12.98 C:44 15.38 -12.98 C:39 16.64 -10.87 C:45 16.64 -12.28 C:91 17.88 -10.14 21 1 -2 17 2 -2 19 3 -2 20 4 -1 5 15 2 6 16 2 7 9 1 7 10 1 8 11 1 8 15 1 9 19 1 10 20 1 22 11 -1 12 17 1 12 18 1 13 16 1 18 13 -1 14 15 1 22 14 -2 16 19 1 17 22 1 18 21 1 19 21 1 20 21 1 20 22 1', 'C17H24O4', 292.187, 'C', 'ph07_1587_1', 3679, '', '', '1', 47, NULL, NULL),
(14332, '', 'ent-3,4-seco-12,15-dioxo-4,8,13-labdatrien-3-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:12]2([CH2:11][C@@H:9]1[C:8](=[CH2:17])[CH2:7][CH2:6][C@H:5]([C:4](=[CH2:18])[CH3:19])[C@@:10]1([CH3:20])[CH2:1][CH2:2][C:3](=O)O)OO[CH2:15][CH:14]=[C:13]2[CH3:16]', '[H][C@@]2(C[C@@H]1C(=C)CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O)OOCC=C2C', '[H][C@@:81]2([CH2:26][C@@H:44]1[C:148](=[CH2:107])[CH2:38][CH2:30][C@H:50]([C:147](=[CH2:114])[CH3:24])[C@@:41]1([CH3:18])[CH2:32][CH2:27][C:181](=O)O)OO[CH2:70][CH:118]=[C:135]2[CH3:19]', '25 26 H 18.80 -8.88 C:18 16.61 -15.66 C:17 21.55 -11.42 C:19 15.40 -13.57 C:16 19.09 -7.16 C:20 17.86 -10.70 O 14.19 -10.04 O 12.98 -12.15 C:14 16.67 -7.16 C:15 15.47 -7.85 C:2 15.40 -12.15 C:7 20.34 -13.57 C:6 19.09 -14.28 C:1 16.61 -11.42 C:11 19.09 -9.96 O 15.47 -9.26 O 16.61 -9.96 C:4 16.61 -14.28 C:3 14.19 -11.45 C:8 20.34 -12.15 C:13 17.86 -7.85 C:5 17.86 -13.57 C:9 19.09 -11.42 C:12 17.86 -9.26 C:10 17.86 -12.15 24 1 -1 2 18 2 3 20 2 4 18 1 5 21 1 25 6 -2 7 19 2 8 19 1 9 10 1 9 21 2 10 16 1 11 14 1 11 19 1 12 13 1 12 20 1 13 22 1 25 14 -1 23 15 -2 15 24 1 16 17 1 17 24 1 22 18 -2 20 23 1 21 24 1 22 25 1 23 25 1', '25 26 H 18.80 -8.88 C 16.61 -15.66 C 21.55 -11.42 C 15.40 -13.57 C 19.09 -7.16 C 17.86 -10.70 O 14.19 -10.04 O 12.98 -12.15 C 16.67 -7.16 C 15.47 -7.85 C 15.40 -12.15 C 20.34 -13.57 C 19.09 -14.28 C 16.61 -11.42 C 19.09 -9.96 O 15.47 -9.26 O 16.61 -9.96 C 16.61 -14.28 C 14.19 -11.45 C 20.34 -12.15 C 17.86 -7.85 C 17.86 -13.57 C 19.09 -11.42 C 17.86 -9.26 C 17.86 -12.15 24 1 -1 2 18 2 3 20 2 4 18 1 5 21 1 25 6 -2 7 19 2 8 19 1 9 10 1 9 21 2 10 16 1 11 14 1 11 19 1 12 13 1 12 20 1 13 22 1 25 14 -1 23 15 -2 15 24 1 16 17 1 17 24 1 22 18 -2 20 23 1 21 24 1 22 25 1 23 25 1', '25 26 H 18.80 -8.88 C:114 16.61 -15.66 C:107 21.55 -11.42 C:24 15.40 -13.57 C:19 19.09 -7.16 C:18 17.86 -10.70 O 14.19 -10.04 O 12.98 -12.15 C:118 16.67 -7.16 C:70 15.47 -7.85 C:27 15.40 -12.15 C:38 20.34 -13.57 C:30 19.09 -14.28 C:32 16.61 -11.42 C:26 19.09 -9.96 O 15.47 -9.26 O 16.61 -9.96 C:147 16.61 -14.28 C:181 14.19 -11.45 C:148 20.34 -12.15 C:135 17.86 -7.85 C:50 17.86 -13.57 C:44 19.09 -11.42 C:81 17.86 -9.26 C:41 17.86 -12.15 24 1 -1 2 18 2 3 20 2 4 18 1 5 21 1 25 6 -2 7 19 2 8 19 1 9 10 1 9 21 2 10 16 1 11 14 1 11 19 1 12 13 1 12 20 1 13 22 1 25 14 -1 23 15 -2 15 24 1 16 17 1 17 24 1 22 18 -2 20 23 1 21 24 1 22 25 1 23 25 1', 'C20H30O4', 334.22, 'C', 'ph08_2406_1', 3680, '', '', '1', 47, NULL, NULL),
(14333, '', 'ent-3,4-seco-12,15-epoxy-4,8,12,14-labdatetraen-3-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[CH2:18]=[C:4]([CH3:19])[C@H:5]2[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][c:12]1o[cH:15][cH:14][c:13]1[CH3:16])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)O', 'C=C(C)[C@H]2CCC(=C)[C@@H](Cc1occc1C)[C@]2(C)CCC(=O)O', '[CH2:114]=[C:147]([CH3:23])[C@H:51]2[CH2:30][CH2:38][C:147](=[CH2:108])[C@@H:47]([CH2:22][c:150]1o[cH:140][cH:114][c:113]1[CH3:10])[C@:41]2([CH3:17])[CH2:32][CH2:28][C:179](=O)O', '23 24 C:18 16.57 -15.75 C:17 21.46 -11.55 C:19 15.39 -13.68 C:16 18.83 -7.11 C:20 17.81 -10.84 O 14.18 -10.19 O 12.99 -12.28 C:15 15.69 -8.84 C:14 16.42 -7.67 C:2 15.39 -12.28 C:7 20.26 -13.68 C:6 19.03 -14.38 C:1 16.57 -11.55 C:11 19.03 -10.11 O 16.57 -9.90 C:4 16.57 -14.38 C:3 14.18 -11.58 C:8 20.26 -12.28 C:13 17.81 -8.00 C:12 17.81 -9.38 C:5 17.81 -13.68 C:9 19.03 -11.55 C:10 17.81 -12.28 1 16 2 2 18 2 3 16 1 4 19 1 23 5 -2 6 17 2 7 17 1 8 9 2 8 15 1 9 19 1 10 13 1 10 17 1 11 12 1 11 18 1 12 21 1 23 13 -1 14 20 1 22 14 -2 15 20 1 21 16 -2 18 22 1 19 20 2 21 23 1 22 23 1', '23 24 C 16.57 -15.75 C 21.46 -11.55 C 15.39 -13.68 C 18.83 -7.11 C 17.81 -10.84 O 14.18 -10.19 O 12.99 -12.28 C 15.69 -8.84 C 16.42 -7.67 C 15.39 -12.28 C 20.26 -13.68 C 19.03 -14.38 C 16.57 -11.55 C 19.03 -10.11 O 16.57 -9.90 C 16.57 -14.38 C 14.18 -11.58 C 20.26 -12.28 C 17.81 -8.00 C 17.81 -9.38 C 17.81 -13.68 C 19.03 -11.55 C 17.81 -12.28 1 16 2 2 18 2 3 16 1 4 19 1 23 5 -2 6 17 2 7 17 1 8 9 2 8 15 1 9 19 1 10 13 1 10 17 1 11 12 1 11 18 1 12 21 1 23 13 -1 14 20 1 22 14 -2 15 20 1 21 16 -2 18 22 1 19 20 2 21 23 1 22 23 1', '23 24 C:114 16.57 -15.75 C:108 21.46 -11.55 C:23 15.39 -13.68 C:10 18.83 -7.11 C:17 17.81 -10.84 O 14.18 -10.19 O 12.99 -12.28 C:140 15.69 -8.84 C:114 16.42 -7.67 C:28 15.39 -12.28 C:38 20.26 -13.68 C:30 19.03 -14.38 C:32 16.57 -11.55 C:22 19.03 -10.11 O 16.57 -9.90 C:147 16.57 -14.38 C:179 14.18 -11.58 C:147 20.26 -12.28 C:113 17.81 -8.00 C:150 17.81 -9.38 C:51 17.81 -13.68 C:47 19.03 -11.55 C:41 17.81 -12.28 1 16 2 2 18 2 3 16 1 4 19 1 23 5 -2 6 17 2 7 17 1 8 9 2 8 15 1 9 19 1 10 13 1 10 17 1 11 12 1 11 18 1 12 21 1 23 13 -1 14 20 1 22 14 -2 15 20 1 21 16 -2 18 22 1 19 20 2 21 23 1 22 23 1', 'C20H28O3', 316.212, 'C', 'ph08_2406_2', 3680, '', '', '1', 47, NULL, NULL),
(14334, '', '3,4-seco-15-nor-14-oxo-4,8,12(E)-labdatrien-3-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[CH2:18]=[C:4]([CH3:19])[C@H:5]1[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=O)[C@:10]1([CH3:20])[CH2:1][CH2:2][C:3](=O)O', 'C=C(C)[C@H]1CCC(=C)[C@H](CC=C(C)C=O)[C@]1(C)CCC(=O)O', '[CH2:115]=[C:147]([CH3:23])[C@H:51]1[CH2:30][CH2:37][C:147](=[CH2:109])[C@H:49]([CH2:25][CH:155]=[C:139]([CH3:10])[CH:195]=O)[C@:41]1([CH3:17])[CH2:32][CH2:28][C:179](=O)O', '22 22 C:18 16.63 -16.29 C:17 21.49 -12.08 C:19 15.43 -14.22 C:16 19.04 -7.88 C:20 17.83 -11.39 O 21.49 -6.51 O 14.22 -10.75 O 13.03 -12.81 C:14 21.49 -7.88 C:12 20.26 -10.00 C:11 19.04 -10.70 C:7 20.26 -14.22 C:2 15.43 -12.81 C:6 19.04 -14.91 C:1 16.63 -12.08 C:4 16.63 -14.91 C:13 20.26 -8.58 C:3 14.22 -12.11 C:8 20.26 -12.81 C:9 19.04 -12.08 C:5 17.83 -14.22 C:10 17.83 -12.81 1 16 2 2 19 2 3 16 1 4 17 1 22 5 -2 6 9 2 7 18 2 8 18 1 9 17 1 10 11 1 10 17 2 20 11 -1 12 14 1 12 19 1 13 15 1 13 18 1 14 21 1 22 15 -1 21 16 -2 19 20 1 20 22 1 21 22 1', '22 22 C 16.63 -16.29 C 21.49 -12.08 C 15.43 -14.22 C 19.04 -7.88 C 17.83 -11.39 O 21.49 -6.51 O 14.22 -10.75 O 13.03 -12.81 C 21.49 -7.88 C 20.26 -10.00 C 19.04 -10.70 C 20.26 -14.22 C 15.43 -12.81 C 19.04 -14.91 C 16.63 -12.08 C 16.63 -14.91 C 20.26 -8.58 C 14.22 -12.11 C 20.26 -12.81 C 19.04 -12.08 C 17.83 -14.22 C 17.83 -12.81 1 16 2 2 19 2 3 16 1 4 17 1 22 5 -2 6 9 2 7 18 2 8 18 1 9 17 1 10 11 1 10 17 2 20 11 -1 12 14 1 12 19 1 13 15 1 13 18 1 14 21 1 22 15 -1 21 16 -2 19 20 1 20 22 1 21 22 1', '22 22 C:115 16.63 -16.29 C:109 21.49 -12.08 C:23 15.43 -14.22 C:10 19.04 -7.88 C:17 17.83 -11.39 O 21.49 -6.51 O 14.22 -10.75 O 13.03 -12.81 C:195 21.49 -7.88 C:155 20.26 -10.00 C:25 19.04 -10.70 C:37 20.26 -14.22 C:28 15.43 -12.81 C:30 19.04 -14.91 C:32 16.63 -12.08 C:147 16.63 -14.91 C:139 20.26 -8.58 C:179 14.22 -12.11 C:147 20.26 -12.81 C:49 19.04 -12.08 C:51 17.83 -14.22 C:41 17.83 -12.81 1 16 2 2 19 2 3 16 1 4 17 1 22 5 -2 6 9 2 7 18 2 8 18 1 9 17 1 10 11 1 10 17 2 20 11 -1 12 14 1 12 19 1 13 15 1 13 18 1 14 21 1 22 15 -1 21 16 -2 19 20 1 20 22 1 21 22 1', 'C19H28O3', 304.202, 'C', 'ph08_2406_3', 3680, '', '', '1', 47, NULL, NULL),
(14335, '', '6-Hydroxynidorello', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[C@H:6](O)[C@@H:7](O)[C@:8]([CH3:17])(O)[C@@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:18])[CH3:19]', '[H][C@]12[C@H](O)[C@@H](O)[C@](C)(O)[C@@H](CC=C(C)C=C)[C@]1(C)CCC[C@@]2(C)C', '[H][C@:57]12[C@H:72](O)[C@@H:85](O)[C@:77]([CH3:17])(O)[C@@H:60]([CH2:24][CH:136]=[C:133]([CH3:12])[CH:142]=[CH2:111])[C@:39]1([CH3:19])[CH2:40][CH2:18][CH2:43][C@@:34]2([CH3:36])[CH3:22]', '24 25 H 16.53 -15.23 C:15 20.22 -6.46 C:16 17.78 -7.86 C:18 16.25 -16.03 C:19 14.34 -16.03 C:17 19.72 -11.65 C:20 16.53 -11.43 O 20.22 -14.99 O 17.78 -16.39 O 20.41 -12.86 C:14 20.22 -7.86 C:12 19.01 -10.01 C:2 14.06 -12.86 C:11 17.78 -10.72 C:3 14.06 -14.28 C:1 15.29 -12.14 C:13 19.01 -8.58 C:7 19.01 -14.28 C:6 17.78 -14.99 C:9 17.78 -12.14 C:4 15.29 -14.99 C:8 19.01 -12.86 C:5 16.53 -14.28 C:10 16.53 -12.86 23 1 -1 2 11 2 3 17 1 21 4 -1 21 5 -2 22 6 -2 24 7 -2 18 8 -2 19 9 -1 22 10 -1 11 17 1 12 14 1 12 17 2 13 15 1 13 16 1 20 14 -2 15 21 1 16 24 1 18 19 1 18 22 1 19 23 1 20 22 1 20 24 1 21 23 1 23 24 1', '24 25 H 16.53 -15.23 C 20.22 -6.46 C 17.78 -7.86 C 16.25 -16.03 C 14.34 -16.03 C 19.72 -11.65 C 16.53 -11.43 O 20.22 -14.99 O 17.78 -16.39 O 20.41 -12.86 C 20.22 -7.86 C 19.01 -10.01 C 14.06 -12.86 C 17.78 -10.72 C 14.06 -14.28 C 15.29 -12.14 C 19.01 -8.58 C 19.01 -14.28 C 17.78 -14.99 C 17.78 -12.14 C 15.29 -14.99 C 19.01 -12.86 C 16.53 -14.28 C 16.53 -12.86 23 1 -1 2 11 2 3 17 1 21 4 -1 21 5 -2 22 6 -2 24 7 -2 18 8 -2 19 9 -1 22 10 -1 11 17 1 12 14 1 12 17 2 13 15 1 13 16 1 20 14 -2 15 21 1 16 24 1 18 19 1 18 22 1 19 23 1 20 22 1 20 24 1 21 23 1 23 24 1', '24 25 H 16.53 -15.23 C:111 20.22 -6.46 C:12 17.78 -7.86 C:36 16.25 -16.03 C:22 14.34 -16.03 C:17 19.72 -11.65 C:19 16.53 -11.43 O 20.22 -14.99 O 17.78 -16.39 O 20.41 -12.86 C:142 20.22 -7.86 C:136 19.01 -10.01 C:18 14.06 -12.86 C:24 17.78 -10.72 C:43 14.06 -14.28 C:40 15.29 -12.14 C:133 19.01 -8.58 C:85 19.01 -14.28 C:72 17.78 -14.99 C:60 17.78 -12.14 C:34 15.29 -14.99 C:77 19.01 -12.86 C:57 16.53 -14.28 C:39 16.53 -12.86 23 1 -1 2 11 2 3 17 1 21 4 -1 21 5 -2 22 6 -2 24 7 -2 18 8 -2 19 9 -1 22 10 -1 11 17 1 12 14 1 12 17 2 13 15 1 13 16 1 20 14 -2 15 21 1 16 24 1 18 19 1 18 22 1 19 23 1 20 22 1 20 24 1 21 23 1 23 24 1', 'C20H34O3', 322.22, 'C', 'ph08_2406_5', 3680, '', '', '1', 47, NULL, NULL),
(14336, 'Henriol A', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@:105]13[CH2:106][C:107]8=[C:111]%10[CH2:113]O[C:209](=O)[CH2:208][CH2:207][C:206](=O)O[CH2:204][CH:203]=[C:202]([CH3:205])[C:201](=O)O[CH2:115][C@:104]1(O)[C@H:103]2[CH2:102][C@H:101]2[C@:110]3([CH3:114])[C@@H:109]9[CH2:15][C@@:4]7(O)[C:5]5=[C:6]([C:7]4=[C:11]([CH3:13])[C:12](=O)O[C@:8]4(O)[C@H:9](O)[C@@:10]5([CH3:14])[C@@H:1]6[CH2:2][C@@H:3]67)[C@:108]89O[C:112]%10=O', '[H][C@]13CC8=C%10COC(=O)CCC(=O)OCC=C(C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]3(C)[C@@H]9C[C@@]7(O)C5=C(C4=C(C)C(=O)O[C@]4(O)[C@H](O)[C@@]5(C)[C@@H]6C[C@@H]67)[C@]89OC%10=O', '[H][C@:56]13[CH2:24][C:176]8=[C:123]%10[CH2:55]O[C:172](=O)[CH2:29][CH2:29][C:173](=O)O[CH2:62][CH:137]=[C:129]([CH3:13])[C:168](=O)O[CH2:74][C@:78]1(O)[C@H:29]2[CH2:9][C@H:27]2[C@:46]3([CH3:24])[C@@H:52]9[CH2:41][C@@:78]7(O)[C:164]5=[C:124]([C:125]4=[C:153]([CH3:11])[C:173](=O)O[C@:104]4(O)[C@H:79](O)[C@@:51]5([CH3:14])[C@@H:30]6[CH2:11][C@@H:31]67)[C@:86]89O[C:173]%10=O', '54 63 H 15.04 -12.51 C:205 14.89 -17.48 C:13 20.45 -8.67 C:14 16.38 -4.29 C:114 15.04 -8.67 O 18.70 -19.30 O 22.26 -15.38 O 12.21 -16.58 O 22.26 -6.33 O 21.04 -10.80 O 17.49 -3.59 O 13.82 -8.11 O 18.70 -4.29 O 12.68 -12.88 C:203 15.64 -15.15 C:204 16.98 -15.58 C:207 19.98 -17.14 C:208 20.11 -15.97 C:113 19.26 -13.33 C:115 14.03 -13.33 C:2 13.71 -5.10 C:102 12.32 -9.53 C:106 16.29 -12.22 C:15 16.29 -8.11 O 17.27 -16.95 O 20.63 -13.58 O 12.97 -14.27 O 19.98 -5.24 O 18.82 -9.67 C:202 14.61 -16.07 C:11 19.98 -7.43 C:206 18.70 -17.90 C:209 20.93 -14.96 C:201 13.24 -15.65 C:12 20.84 -6.33 C:112 19.60 -10.80 C:111 18.82 -11.97 C:107 17.49 -11.52 C:7 18.70 -7.01 C:6 17.49 -7.68 C:5 16.38 -7.01 C:9 17.49 -4.99 C:1 15.04 -5.24 C:3 14.27 -6.33 C:101 13.71 -9.67 C:103 12.89 -10.80 C:109 16.29 -9.39 C:105 15.04 -11.52 C:10 16.38 -5.65 C:4 15.04 -7.43 C:110 15.04 -10.09 C:8 18.70 -5.65 C:104 13.71 -11.97 C:108 17.49 -10.09 48 1 -2 2 30 1 3 31 1 49 4 -1 51 5 -1 6 32 2 7 33 2 8 34 2 9 35 2 10 36 2 42 11 -1 50 12 -1 52 13 -2 53 14 -1 15 16 1 15 30 2 16 25 1 17 18 1 17 32 1 18 33 1 19 26 1 19 37 1 20 27 1 20 53 1 43 21 -1 44 21 -1 45 22 -1 46 22 -1 23 38 1 23 48 1 47 24 -2 24 50 1 25 32 1 26 33 1 27 34 1 28 35 1 28 52 1 29 36 1 54 29 -1 30 34 1 31 35 1 31 39 2 36 37 1 37 38 2 38 54 1 39 40 1 39 52 1 40 41 2 40 54 1 41 49 1 41 50 1 42 49 1 42 52 1 43 44 1 43 49 1 44 50 1 45 46 1 45 51 1 46 53 1 47 51 1 47 54 1 48 51 1 48 53 1', '54 63 H 15.04 -12.51 C 14.89 -17.48 C 20.45 -8.67 C 16.38 -4.29 C 15.04 -8.67 O 18.70 -19.30 O 22.26 -15.38 O 12.21 -16.58 O 22.26 -6.33 O 21.04 -10.80 O 17.49 -3.59 O 13.82 -8.11 O 18.70 -4.29 O 12.68 -12.88 C 15.64 -15.15 C 16.98 -15.58 C 19.98 -17.14 C 20.11 -15.97 C 19.26 -13.33 C 14.03 -13.33 C 13.71 -5.10 C 12.32 -9.53 C 16.29 -12.22 C 16.29 -8.11 O 17.27 -16.95 O 20.63 -13.58 O 12.97 -14.27 O 19.98 -5.24 O 18.82 -9.67 C 14.61 -16.07 C 19.98 -7.43 C 18.70 -17.90 C 20.93 -14.96 C 13.24 -15.65 C 20.84 -6.33 C 19.60 -10.80 C 18.82 -11.97 C 17.49 -11.52 C 18.70 -7.01 C 17.49 -7.68 C 16.38 -7.01 C 17.49 -4.99 C 15.04 -5.24 C 14.27 -6.33 C 13.71 -9.67 C 12.89 -10.80 C 16.29 -9.39 C 15.04 -11.52 C 16.38 -5.65 C 15.04 -7.43 C 15.04 -10.09 C 18.70 -5.65 C 13.71 -11.97 C 17.49 -10.09 48 1 -2 2 30 1 3 31 1 49 4 -1 51 5 -1 6 32 2 7 33 2 8 34 2 9 35 2 10 36 2 42 11 -1 50 12 -1 52 13 -2 53 14 -1 15 16 1 15 30 2 16 25 1 17 18 1 17 32 1 18 33 1 19 26 1 19 37 1 20 27 1 20 53 1 43 21 -1 44 21 -1 45 22 -1 46 22 -1 23 38 1 23 48 1 47 24 -2 24 50 1 25 32 1 26 33 1 27 34 1 28 35 1 28 52 1 29 36 1 54 29 -1 30 34 1 31 35 1 31 39 2 36 37 1 37 38 2 38 54 1 39 40 1 39 52 1 40 41 2 40 54 1 41 49 1 41 50 1 42 49 1 42 52 1 43 44 1 43 49 1 44 50 1 45 46 1 45 51 1 46 53 1 47 51 1 47 54 1 48 51 1 48 53 1', '54 63 H 15.04 -12.51 C:13 14.89 -17.48 C:11 20.45 -8.67 C:14 16.38 -4.29 C:24 15.04 -8.67 O 18.70 -19.30 O 22.26 -15.38 O 12.21 -16.58 O 22.26 -6.33 O 21.04 -10.80 O 17.49 -3.59 O 13.82 -8.11 O 18.70 -4.29 O 12.68 -12.88 C:137 15.64 -15.15 C:62 16.98 -15.58 C:29 19.98 -17.14 C:29 20.11 -15.97 C:55 19.26 -13.33 C:74 14.03 -13.33 C:11 13.71 -5.10 C:9 12.32 -9.53 C:24 16.29 -12.22 C:41 16.29 -8.11 O 17.27 -16.95 O 20.63 -13.58 O 12.97 -14.27 O 19.98 -5.24 O 18.82 -9.67 C:129 14.61 -16.07 C:153 19.98 -7.43 C:173 18.70 -17.90 C:172 20.93 -14.96 C:168 13.24 -15.65 C:173 20.84 -6.33 C:173 19.60 -10.80 C:123 18.82 -11.97 C:176 17.49 -11.52 C:125 18.70 -7.01 C:124 17.49 -7.68 C:164 16.38 -7.01 C:79 17.49 -4.99 C:30 15.04 -5.24 C:31 14.27 -6.33 C:27 13.71 -9.67 C:29 12.89 -10.80 C:52 16.29 -9.39 C:56 15.04 -11.52 C:51 16.38 -5.65 C:78 15.04 -7.43 C:46 15.04 -10.09 C:104 18.70 -5.65 C:78 13.71 -11.97 C:86 17.49 -10.09 48 1 -2 2 30 1 3 31 1 49 4 -1 51 5 -1 6 32 2 7 33 2 8 34 2 9 35 2 10 36 2 42 11 -1 50 12 -1 52 13 -2 53 14 -1 15 16 1 15 30 2 16 25 1 17 18 1 17 32 1 18 33 1 19 26 1 19 37 1 20 27 1 20 53 1 43 21 -1 44 21 -1 45 22 -1 46 22 -1 23 38 1 23 48 1 47 24 -2 24 50 1 25 32 1 26 33 1 27 34 1 28 35 1 28 52 1 29 36 1 54 29 -1 30 34 1 31 35 1 31 39 2 36 37 1 37 38 2 38 54 1 39 40 1 39 52 1 40 41 2 40 54 1 41 49 1 41 50 1 42 49 1 42 52 1 43 44 1 43 49 1 44 50 1 45 46 1 45 51 1 46 53 1 47 51 1 47 54 1 48 51 1 48 53 1', 'C39H42O14', 734.417, 'A', 'ph08_2867_1', 3681, '', '', '1', 47, NULL, NULL),
(14337, 'Henriol B', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@@:105]79[CH2:106][C:107]1=[C:111]([CH2:113]O)[C:112](=O)O[C@@:108]16[C:6]2=[C:5]5[C@@:10]([CH3:14])([C@@H:9](O)[C@@:8]3(O)O[C:12](=O)[C:11]([CH3:13])=[C:7]23)[C@@H:1]4[CH2:2][C@@H:3]4[C@@:4]5(O)[CH2:15][C@H:109]6[C@@:110]7([CH3:114])[C@@H:101]8[CH2:102][C@@H:103]8[C@@:104]9(O)[CH2:115]O[C:201](=O)[C:202]([CH3:205])=[CH:203][CH3:204]', '[H][C@@]79CC1=C(CO)C(=O)O[C@@]16C2=C5[C@@](C)([C@@H](O)[C@@]3(O)OC(=O)C(C)=C23)[C@@H]4C[C@@H]4[C@@]5(O)C[C@H]6[C@@]7(C)[C@@H]8C[C@@H]8[C@@]9(O)COC(=O)C(C)=CC', '[H][C@@:53]79[CH2:22][C:173]1=[C:128]([CH2:55]O)[C:169](=O)O[C@@:86]16[C:124]2=[C:165]5[C@@:50]([CH3:14])([C@@H:79](O)[C@@:104]3(O)O[C:172](=O)[C:154]([CH3:11])=[C:124]23)[C@@H:29]4[CH2:11][C@@H:31]4[C@@:78]5(O)[CH2:41][C@H:52]6[C@@:45]7([CH3:25])[C@@H:28]8[CH2:9][C@@H:29]8[C@@:78]9(O)[CH2:70]O[C:168](=O)[C:130]([CH3:12])=[CH:138][CH3:14]', '47 55 H 15.00 -13.71 C:204 17.80 -15.64 C:205 16.34 -18.09 C:13 20.42 -9.86 C:14 16.34 -5.48 C:114 15.00 -9.86 O 13.55 -18.01 O 22.24 -7.53 O 21.02 -11.99 O 20.63 -14.75 O 17.46 -4.78 O 13.69 -9.11 O 18.67 -5.48 O 12.44 -13.81 C:203 16.40 -15.64 C:113 19.26 -14.48 C:115 14.28 -14.39 C:2 13.55 -6.29 C:102 12.28 -10.71 C:106 16.24 -13.42 C:15 16.24 -9.35 O 13.55 -15.57 O 19.95 -6.44 O 18.80 -10.85 C:202 15.67 -16.80 C:11 19.95 -8.62 C:201 14.28 -16.80 C:12 20.82 -7.53 C:112 19.57 -11.99 C:111 18.80 -13.17 C:107 17.46 -12.72 C:7 18.67 -8.20 C:6 17.46 -8.87 C:5 16.40 -8.20 C:9 17.46 -6.18 C:1 15.00 -6.44 C:3 14.28 -7.53 C:101 13.55 -10.85 C:103 12.86 -11.99 C:109 16.24 -10.57 C:105 15.00 -12.72 C:10 16.40 -6.85 C:4 15.00 -8.62 C:110 15.00 -11.28 C:8 18.67 -6.85 C:104 13.55 -13.17 C:108 17.46 -11.28 41 1 -2 2 15 1 3 25 1 4 26 1 42 5 -1 44 6 -1 7 27 2 8 28 2 9 29 2 10 16 1 35 11 -1 43 12 -1 45 13 -2 46 14 -1 15 25 2 16 30 1 17 22 1 46 17 -2 36 18 -1 37 18 -1 38 19 -1 39 19 -1 20 31 1 20 41 1 40 21 -2 21 43 1 22 27 1 23 28 1 23 45 1 24 29 1 47 24 -1 25 27 1 26 28 1 26 32 2 29 30 1 30 31 2 31 47 1 32 33 1 32 45 1 33 34 2 33 47 1 34 42 1 34 43 1 35 42 1 35 45 1 36 37 1 36 42 1 37 43 1 38 39 1 38 44 1 39 46 1 40 44 1 40 47 1 41 44 1 41 46 1', '47 55 H 15.00 -13.71 C 17.80 -15.64 C 16.34 -18.09 C 20.42 -9.86 C 16.34 -5.48 C 15.00 -9.86 O 13.55 -18.01 O 22.24 -7.53 O 21.02 -11.99 O 20.63 -14.75 O 17.46 -4.78 O 13.69 -9.11 O 18.67 -5.48 O 12.44 -13.81 C 16.40 -15.64 C 19.26 -14.48 C 14.28 -14.39 C 13.55 -6.29 C 12.28 -10.71 C 16.24 -13.42 C 16.24 -9.35 O 13.55 -15.57 O 19.95 -6.44 O 18.80 -10.85 C 15.67 -16.80 C 19.95 -8.62 C 14.28 -16.80 C 20.82 -7.53 C 19.57 -11.99 C 18.80 -13.17 C 17.46 -12.72 C 18.67 -8.20 C 17.46 -8.87 C 16.40 -8.20 C 17.46 -6.18 C 15.00 -6.44 C 14.28 -7.53 C 13.55 -10.85 C 12.86 -11.99 C 16.24 -10.57 C 15.00 -12.72 C 16.40 -6.85 C 15.00 -8.62 C 15.00 -11.28 C 18.67 -6.85 C 13.55 -13.17 C 17.46 -11.28 41 1 -2 2 15 1 3 25 1 4 26 1 42 5 -1 44 6 -1 7 27 2 8 28 2 9 29 2 10 16 1 35 11 -1 43 12 -1 45 13 -2 46 14 -1 15 25 2 16 30 1 17 22 1 46 17 -2 36 18 -1 37 18 -1 38 19 -1 39 19 -1 20 31 1 20 41 1 40 21 -2 21 43 1 22 27 1 23 28 1 23 45 1 24 29 1 47 24 -1 25 27 1 26 28 1 26 32 2 29 30 1 30 31 2 31 47 1 32 33 1 32 45 1 33 34 2 33 47 1 34 42 1 34 43 1 35 42 1 35 45 1 36 37 1 36 42 1 37 43 1 38 39 1 38 44 1 39 46 1 40 44 1 40 47 1 41 44 1 41 46 1', '47 55 H 15.00 -13.71 C:14 17.80 -15.64 C:12 16.34 -18.09 C:11 20.42 -9.86 C:14 16.34 -5.48 C:25 15.00 -9.86 O 13.55 -18.01 O 22.24 -7.53 O 21.02 -11.99 O 20.63 -14.75 O 17.46 -4.78 O 13.69 -9.11 O 18.67 -5.48 O 12.44 -13.81 C:138 16.40 -15.64 C:55 19.26 -14.48 C:70 14.28 -14.39 C:11 13.55 -6.29 C:9 12.28 -10.71 C:22 16.24 -13.42 C:41 16.24 -9.35 O 13.55 -15.57 O 19.95 -6.44 O 18.80 -10.85 C:130 15.67 -16.80 C:154 19.95 -8.62 C:168 14.28 -16.80 C:172 20.82 -7.53 C:169 19.57 -11.99 C:128 18.80 -13.17 C:173 17.46 -12.72 C:124 18.67 -8.20 C:124 17.46 -8.87 C:165 16.40 -8.20 C:79 17.46 -6.18 C:29 15.00 -6.44 C:31 14.28 -7.53 C:28 13.55 -10.85 C:29 12.86 -11.99 C:52 16.24 -10.57 C:53 15.00 -12.72 C:50 16.40 -6.85 C:78 15.00 -8.62 C:45 15.00 -11.28 C:104 18.67 -6.85 C:78 13.55 -13.17 C:86 17.46 -11.28 41 1 -2 2 15 1 3 25 1 4 26 1 42 5 -1 44 6 -1 7 27 2 8 28 2 9 29 2 10 16 1 35 11 -1 43 12 -1 45 13 -2 46 14 -1 15 25 2 16 30 1 17 22 1 46 17 -2 36 18 -1 37 18 -1 38 19 -1 39 19 -1 20 31 1 20 41 1 40 21 -2 21 43 1 22 27 1 23 28 1 23 45 1 24 29 1 47 24 -1 25 27 1 26 28 1 26 32 2 29 30 1 30 31 2 31 47 1 32 33 1 32 45 1 33 34 2 33 47 1 34 42 1 34 43 1 35 42 1 35 45 1 36 37 1 36 42 1 37 43 1 38 39 1 38 44 1 39 46 1 40 44 1 40 47 1 41 44 1 41 46 1', 'C35H40O11', 636.376, 'A', 'ph08_2867_2', 3681, '', '', '1', 47, NULL, NULL),
(14338, 'Henriol C', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@:6]16[C:7](=[C:11]([CH3:13])[C:12](=O)O[CH3:12001])[C:8](=O)[C@H:9](O)[C@:10]9([CH3:14])[C:5]1=[C:4]([CH2:15][C@H:109]5[C@@:110]3([CH3:114])[C@@H:101]2[CH2:102][C@@H:103]2[C@@:104]4(O)[CH2:115]O[C:201](=O)[C:202]([CH3:205])=[CH:203][CH2:204]O[C:206](=O)[CH2:207][CH2:208][C:209](=O)O[CH2:113][C:111]7=[C:107]([CH2:106][C@:105]34[H])[C@:108]56O[C:112]7=O)[C@H:3]8[CH2:2][C@H:1]89', '[H][C@]16C(=C(C)C(=O)OC)C(=O)[C@H](O)[C@]9(C)C1=C(C[C@H]5[C@@]3(C)[C@@H]2C[C@@H]2[C@@]4(O)COC(=O)C(C)=CCOC(=O)CCC(=O)OCC7=C(C[C@]34[H])[C@]56OC7=O)[C@H]8C[C@H]89', '[H][C@:42]16[C:135](=[C:144]([CH3:19])[C:169](=O)O[CH3:53])[C:205](=O)[C@H:81](O)[C@:50]9([CH3:15])[C:133]1=[C:141]([CH2:26][C@H:56]5[C@@:45]3([CH3:26])[C@@H:25]2[CH2:11][C@@H:28]2[C@@:77]4(O)[CH2:73]O[C:167](=O)[C:129]([CH3:13])=[CH:136][CH2:61]O[C:172](=O)[CH2:30][CH2:29][C:174](=O)O[CH2:55][C:123]7=[C:174]([CH2:24][C@:61]34[H])[C@:93]56O[C:172]7=O)[C@H:25]8[CH2:16][C@H:26]89', '55 63 H 18.34 -8.32 H 15.03 -12.51 C:12001 22.19 -10.52 C:205 14.88 -17.51 C:13 21.07 -6.49 C:14 16.39 -4.26 C:114 15.03 -8.65 O 18.73 -19.33 O 22.28 -15.38 O 19.63 -9.66 O 12.20 -16.60 O 21.07 -10.80 O 20.07 -5.20 O 17.51 -3.55 O 12.68 -12.88 C:203 15.64 -15.15 C:204 16.99 -15.59 C:207 20.00 -17.16 C:208 20.13 -15.99 C:113 19.29 -13.34 C:15 16.30 -8.14 C:115 14.02 -13.34 C:2 13.72 -5.06 C:102 12.31 -9.52 C:106 16.30 -12.22 O 21.81 -9.17 O 17.29 -16.97 O 20.66 -13.59 O 12.98 -14.28 O 18.85 -9.66 C:202 14.60 -16.09 C:11 20.07 -7.41 C:206 18.73 -17.93 C:209 20.96 -14.97 C:12 20.44 -8.82 C:201 13.25 -15.66 C:112 19.63 -10.80 C:8 18.73 -5.63 C:111 18.85 -11.96 C:4 15.03 -7.41 C:107 17.51 -11.51 C:7 18.73 -6.99 C:5 16.39 -6.99 C:9 17.51 -4.95 C:3 14.26 -6.31 C:1 15.03 -5.20 C:101 13.72 -9.66 C:103 12.89 -10.80 C:109 16.30 -9.38 C:6 17.51 -7.66 C:105 15.03 -11.51 C:10 16.39 -5.63 C:110 15.03 -10.08 C:104 13.72 -11.96 C:108 17.51 -10.08 50 1 -1 51 2 -2 3 26 1 4 31 1 5 32 1 52 6 -1 53 7 -1 8 33 2 9 34 2 10 35 2 11 36 2 12 37 2 13 38 2 44 14 -1 54 15 -1 16 17 1 16 31 2 17 27 1 18 19 1 18 33 1 19 34 1 20 28 1 20 39 1 21 40 1 49 21 -2 22 29 1 22 54 1 45 23 -1 46 23 -1 47 24 -1 48 24 -1 25 41 1 25 51 1 26 35 1 27 33 1 28 34 1 29 36 1 30 37 1 55 30 -1 31 36 1 32 35 1 32 42 2 37 39 1 38 42 1 38 44 1 39 41 2 40 43 2 40 45 1 41 55 1 42 50 1 43 50 1 43 52 1 44 52 1 45 46 1 46 52 1 47 48 1 47 53 1 48 54 1 49 53 1 49 55 1 50 55 1 51 53 1 51 54 1', '55 63 H 18.34 -8.32 H 15.03 -12.51 C 22.19 -10.52 C 14.88 -17.51 C 21.07 -6.49 C 16.39 -4.26 C 15.03 -8.65 O 18.73 -19.33 O 22.28 -15.38 O 19.63 -9.66 O 12.20 -16.60 O 21.07 -10.80 O 20.07 -5.20 O 17.51 -3.55 O 12.68 -12.88 C 15.64 -15.15 C 16.99 -15.59 C 20.00 -17.16 C 20.13 -15.99 C 19.29 -13.34 C 16.30 -8.14 C 14.02 -13.34 C 13.72 -5.06 C 12.31 -9.52 C 16.30 -12.22 O 21.81 -9.17 O 17.29 -16.97 O 20.66 -13.59 O 12.98 -14.28 O 18.85 -9.66 C 14.60 -16.09 C 20.07 -7.41 C 18.73 -17.93 C 20.96 -14.97 C 20.44 -8.82 C 13.25 -15.66 C 19.63 -10.80 C 18.73 -5.63 C 18.85 -11.96 C 15.03 -7.41 C 17.51 -11.51 C 18.73 -6.99 C 16.39 -6.99 C 17.51 -4.95 C 14.26 -6.31 C 15.03 -5.20 C 13.72 -9.66 C 12.89 -10.80 C 16.30 -9.38 C 17.51 -7.66 C 15.03 -11.51 C 16.39 -5.63 C 15.03 -10.08 C 13.72 -11.96 C 17.51 -10.08 50 1 -1 51 2 -2 3 26 1 4 31 1 5 32 1 52 6 -1 53 7 -1 8 33 2 9 34 2 10 35 2 11 36 2 12 37 2 13 38 2 44 14 -1 54 15 -1 16 17 1 16 31 2 17 27 1 18 19 1 18 33 1 19 34 1 20 28 1 20 39 1 21 40 1 49 21 -2 22 29 1 22 54 1 45 23 -1 46 23 -1 47 24 -1 48 24 -1 25 41 1 25 51 1 26 35 1 27 33 1 28 34 1 29 36 1 30 37 1 55 30 -1 31 36 1 32 35 1 32 42 2 37 39 1 38 42 1 38 44 1 39 41 2 40 43 2 40 45 1 41 55 1 42 50 1 43 50 1 43 52 1 44 52 1 45 46 1 46 52 1 47 48 1 47 53 1 48 54 1 49 53 1 49 55 1 50 55 1 51 53 1 51 54 1', '55 63 H 18.34 -8.32 H 15.03 -12.51 C:53 22.19 -10.52 C:13 14.88 -17.51 C:19 21.07 -6.49 C:15 16.39 -4.26 C:26 15.03 -8.65 O 18.73 -19.33 O 22.28 -15.38 O 19.63 -9.66 O 12.20 -16.60 O 21.07 -10.80 O 20.07 -5.20 O 17.51 -3.55 O 12.68 -12.88 C:136 15.64 -15.15 C:61 16.99 -15.59 C:30 20.00 -17.16 C:29 20.13 -15.99 C:55 19.29 -13.34 C:26 16.30 -8.14 C:73 14.02 -13.34 C:16 13.72 -5.06 C:11 12.31 -9.52 C:24 16.30 -12.22 O 21.81 -9.17 O 17.29 -16.97 O 20.66 -13.59 O 12.98 -14.28 O 18.85 -9.66 C:129 14.60 -16.09 C:144 20.07 -7.41 C:172 18.73 -17.93 C:174 20.96 -14.97 C:169 20.44 -8.82 C:167 13.25 -15.66 C:172 19.63 -10.80 C:205 18.73 -5.63 C:123 18.85 -11.96 C:141 15.03 -7.41 C:174 17.51 -11.51 C:135 18.73 -6.99 C:133 16.39 -6.99 C:81 17.51 -4.95 C:25 14.26 -6.31 C:26 15.03 -5.20 C:25 13.72 -9.66 C:28 12.89 -10.80 C:56 16.30 -9.38 C:42 17.51 -7.66 C:61 15.03 -11.51 C:50 16.39 -5.63 C:45 15.03 -10.08 C:77 13.72 -11.96 C:93 17.51 -10.08 50 1 -1 51 2 -2 3 26 1 4 31 1 5 32 1 52 6 -1 53 7 -1 8 33 2 9 34 2 10 35 2 11 36 2 12 37 2 13 38 2 44 14 -1 54 15 -1 16 17 1 16 31 2 17 27 1 18 19 1 18 33 1 19 34 1 20 28 1 20 39 1 21 40 1 49 21 -2 22 29 1 22 54 1 45 23 -1 46 23 -1 47 24 -1 48 24 -1 25 41 1 25 51 1 26 35 1 27 33 1 28 34 1 29 36 1 30 37 1 55 30 -1 31 36 1 32 35 1 32 42 2 37 39 1 38 42 1 38 44 1 39 41 2 40 43 2 40 45 1 41 55 1 42 50 1 43 50 1 43 52 1 44 52 1 45 46 1 46 52 1 47 48 1 47 53 1 48 54 1 49 53 1 49 55 1 50 55 1 51 53 1 51 54 1', 'C40H44O13', 732.436, 'C', 'ph08_2867_3', 3681, '', '', '1', 47, NULL, NULL),
(14339, 'Henriol D', '', 'Terpenoids', 'Sesquiterpenoids', 'Lindenanes', '[H][C@:6]16[C:7](=[C:11]([CH3:13])[C:12](=O)O[CH3:12001])[C:8](=O)[C@H:9](O)[C@:10]8([CH3:14])[C:5]1=[C:4]([CH2:15][C@H:109]5[C@@:110]3([CH3:114])[C@@H:101]2[CH2:102][C@@H:103]2[C@@:104](O)([CH2:115]O[C:201](=O)[C:202]([CH3:205])=[CH:203][CH3:204])[C@:105]3([H])[CH2:106][C:107]4=[C:111]([CH2:113]O[C:209]([CH3:208])=O)[C:112](=O)O[C@@:108]456)[C@H:3]7[CH2:2][C@H:1]78', '[H][C@]16C(=C(C)C(=O)OC)C(=O)[C@H](O)[C@]8(C)C1=C(C[C@H]5[C@@]3(C)[C@@H]2C[C@@H]2[C@@](O)(COC(=O)C(C)=CC)[C@]3([H])CC4=C(COC(C)=O)C(=O)O[C@@]456)[C@H]7C[C@H]78', '[H][C@:42]16[C:134](=[C:147]([CH3:20])[C:171](=O)O[CH3:52])[C:201](=O)[C@H:81](O)[C@:52]8([CH3:16])[C:134]1=[C:142]([CH2:26][C@H:55]5[C@@:46]3([CH3:26])[C@@H:26]2[CH2:12][C@@H:29]2[C@@:77](O)([CH2:72]O[C:168](=O)[C:129]([CH3:12])=[CH:138][CH3:14])[C@:62]3([H])[CH2:24][C:173]4=[C:124]([CH2:57]O[C:174]([CH3:20])=O)[C:172](=O)O[C@@:94]456)[C@H:25]7[CH2:16][C@H:26]78', '51 58 H 17.60 -9.57 H 14.35 -13.73 C:204 17.15 -15.66 C:12001 22.87 -8.22 C:208 19.52 -17.17 C:205 15.68 -18.12 C:13 19.23 -10.34 C:14 15.68 -5.48 C:114 14.35 -9.87 O 21.82 -16.38 O 20.45 -6.86 O 12.89 -18.04 O 20.38 -12.00 O 19.23 -6.13 O 16.81 -4.78 O 11.79 -13.83 C:203 15.74 -15.66 C:113 18.61 -14.50 C:15 15.58 -9.36 C:115 13.63 -14.41 C:2 12.89 -6.30 C:102 11.63 -10.73 C:106 15.58 -13.44 O 21.66 -8.93 O 19.98 -14.78 O 12.89 -15.59 O 18.16 -10.87 C:209 20.45 -16.11 C:202 15.02 -16.83 C:11 19.23 -8.93 C:12 20.45 -8.22 C:201 13.63 -16.83 C:112 18.92 -12.00 C:8 18.02 -6.86 C:111 18.16 -13.19 C:4 14.35 -8.63 C:107 16.81 -12.74 C:7 18.02 -8.22 C:5 15.74 -8.22 C:9 16.81 -6.19 C:3 13.63 -7.54 C:1 14.35 -6.45 C:101 12.89 -10.87 C:103 12.20 -12.00 C:109 15.58 -10.59 C:6 16.81 -8.88 C:105 14.35 -12.74 C:10 15.74 -6.86 C:110 14.35 -11.30 C:104 12.89 -13.19 C:108 16.81 -11.30 46 1 -1 47 2 -2 3 17 1 4 24 1 5 28 1 6 29 1 7 30 1 48 8 -1 49 9 -1 10 28 2 11 31 2 12 32 2 13 33 2 14 34 2 40 15 -1 50 16 -1 17 29 2 18 25 1 18 35 1 19 36 1 45 19 -2 20 26 1 50 20 -2 41 21 -1 42 21 -1 43 22 -1 44 22 -1 23 37 1 23 47 1 24 31 1 25 28 1 26 32 1 27 33 1 51 27 -1 29 32 1 30 31 1 30 38 2 33 35 1 34 38 1 34 40 1 35 37 2 36 39 2 36 41 1 37 51 1 38 46 1 39 46 1 39 48 1 40 48 1 41 42 1 42 48 1 43 44 1 43 49 1 44 50 1 45 49 1 45 51 1 46 51 1 47 49 1 47 50 1', '51 58 H 17.60 -9.57 H 14.35 -13.73 C 17.15 -15.66 C 22.87 -8.22 C 19.52 -17.17 C 15.68 -18.12 C 19.23 -10.34 C 15.68 -5.48 C 14.35 -9.87 O 21.82 -16.38 O 20.45 -6.86 O 12.89 -18.04 O 20.38 -12.00 O 19.23 -6.13 O 16.81 -4.78 O 11.79 -13.83 C 15.74 -15.66 C 18.61 -14.50 C 15.58 -9.36 C 13.63 -14.41 C 12.89 -6.30 C 11.63 -10.73 C 15.58 -13.44 O 21.66 -8.93 O 19.98 -14.78 O 12.89 -15.59 O 18.16 -10.87 C 20.45 -16.11 C 15.02 -16.83 C 19.23 -8.93 C 20.45 -8.22 C 13.63 -16.83 C 18.92 -12.00 C 18.02 -6.86 C 18.16 -13.19 C 14.35 -8.63 C 16.81 -12.74 C 18.02 -8.22 C 15.74 -8.22 C 16.81 -6.19 C 13.63 -7.54 C 14.35 -6.45 C 12.89 -10.87 C 12.20 -12.00 C 15.58 -10.59 C 16.81 -8.88 C 14.35 -12.74 C 15.74 -6.86 C 14.35 -11.30 C 12.89 -13.19 C 16.81 -11.30 46 1 -1 47 2 -2 3 17 1 4 24 1 5 28 1 6 29 1 7 30 1 48 8 -1 49 9 -1 10 28 2 11 31 2 12 32 2 13 33 2 14 34 2 40 15 -1 50 16 -1 17 29 2 18 25 1 18 35 1 19 36 1 45 19 -2 20 26 1 50 20 -2 41 21 -1 42 21 -1 43 22 -1 44 22 -1 23 37 1 23 47 1 24 31 1 25 28 1 26 32 1 27 33 1 51 27 -1 29 32 1 30 31 1 30 38 2 33 35 1 34 38 1 34 40 1 35 37 2 36 39 2 36 41 1 37 51 1 38 46 1 39 46 1 39 48 1 40 48 1 41 42 1 42 48 1 43 44 1 43 49 1 44 50 1 45 49 1 45 51 1 46 51 1 47 49 1 47 50 1', '51 58 H 17.60 -9.57 H 14.35 -13.73 C:14 17.15 -15.66 C:52 22.87 -8.22 C:20 19.52 -17.17 C:12 15.68 -18.12 C:20 19.23 -10.34 C:16 15.68 -5.48 C:26 14.35 -9.87 O 21.82 -16.38 O 20.45 -6.86 O 12.89 -18.04 O 20.38 -12.00 O 19.23 -6.13 O 16.81 -4.78 O 11.79 -13.83 C:138 15.74 -15.66 C:57 18.61 -14.50 C:26 15.58 -9.36 C:72 13.63 -14.41 C:16 12.89 -6.30 C:12 11.63 -10.73 C:24 15.58 -13.44 O 21.66 -8.93 O 19.98 -14.78 O 12.89 -15.59 O 18.16 -10.87 C:174 20.45 -16.11 C:129 15.02 -16.83 C:147 19.23 -8.93 C:171 20.45 -8.22 C:168 13.63 -16.83 C:172 18.92 -12.00 C:201 18.02 -6.86 C:124 18.16 -13.19 C:142 14.35 -8.63 C:173 16.81 -12.74 C:134 18.02 -8.22 C:134 15.74 -8.22 C:81 16.81 -6.19 C:25 13.63 -7.54 C:26 14.35 -6.45 C:26 12.89 -10.87 C:29 12.20 -12.00 C:55 15.58 -10.59 C:42 16.81 -8.88 C:62 14.35 -12.74 C:52 15.74 -6.86 C:46 14.35 -11.30 C:77 12.89 -13.19 C:94 16.81 -11.30 46 1 -1 47 2 -2 3 17 1 4 24 1 5 28 1 6 29 1 7 30 1 48 8 -1 49 9 -1 10 28 2 11 31 2 12 32 2 13 33 2 14 34 2 40 15 -1 50 16 -1 17 29 2 18 25 1 18 35 1 19 36 1 45 19 -2 20 26 1 50 20 -2 41 21 -1 42 21 -1 43 22 -1 44 22 -1 23 37 1 23 47 1 24 31 1 25 28 1 26 32 1 27 33 1 51 27 -1 29 32 1 30 31 1 30 38 2 33 35 1 34 38 1 34 40 1 35 37 2 36 39 2 36 41 1 37 51 1 38 46 1 39 46 1 39 48 1 40 48 1 41 42 1 42 48 1 43 44 1 43 49 1 44 50 1 45 49 1 45 51 1 46 51 1 47 49 1 47 50 1', 'C38H44O11', 676.416, 'A', 'ph08_2867_4', 3681, '', '', '1', 47, NULL, NULL),
(14340, 'Henrilabdane A', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][C@@H:12](O)[C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](C[C@@H](O)C(C)=CCO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:57]12[CH2:27][CH2:40][C:150](=[CH2:107])[C@H:53]([CH2:31][C@@H:75](O)[C:142]([CH3:12])=[CH:125][CH2:59]O)[C@@:41]1([CH3:14])[CH2:40][CH2:21][CH2:39][C@:45]2([CH3:30])[C:179](=O)O', '25 26 H 17.16 -15.08 C:17 20.86 -11.99 C:16 18.39 -7.75 C:18 16.88 -15.87 C:20 17.16 -11.28 O 13.63 -15.56 O 19.63 -5.63 O 15.41 -17.21 O 20.86 -10.56 C:14 20.86 -7.75 C:15 20.86 -6.33 C:2 14.72 -12.72 C:7 19.63 -14.14 C:3 14.72 -14.14 C:1 15.93 -11.99 C:6 18.39 -14.84 C:11 18.39 -10.56 C:8 19.63 -12.72 C:13 19.63 -8.45 C:19 14.99 -15.87 C:12 19.63 -9.87 C:9 18.39 -11.99 C:5 17.16 -14.14 C:4 15.93 -14.84 C:10 17.16 -12.72 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 19 2 12 14 1 12 15 1 13 16 1 13 18 1 14 24 1 15 25 1 16 23 1 17 21 1 22 17 -1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 17.16 -15.08 C 20.86 -11.99 C 18.39 -7.75 C 16.88 -15.87 C 17.16 -11.28 O 13.63 -15.56 O 19.63 -5.63 O 15.41 -17.21 O 20.86 -10.56 C 20.86 -7.75 C 20.86 -6.33 C 14.72 -12.72 C 19.63 -14.14 C 14.72 -14.14 C 15.93 -11.99 C 18.39 -14.84 C 18.39 -10.56 C 19.63 -12.72 C 19.63 -8.45 C 14.99 -15.87 C 19.63 -9.87 C 18.39 -11.99 C 17.16 -14.14 C 15.93 -14.84 C 17.16 -12.72 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 19 2 12 14 1 12 15 1 13 16 1 13 18 1 14 24 1 15 25 1 16 23 1 17 21 1 22 17 -1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 17.16 -15.08 C:107 20.86 -11.99 C:12 18.39 -7.75 C:30 16.88 -15.87 C:14 17.16 -11.28 O 13.63 -15.56 O 19.63 -5.63 O 15.41 -17.21 O 20.86 -10.56 C:125 20.86 -7.75 C:59 20.86 -6.33 C:21 14.72 -12.72 C:40 19.63 -14.14 C:39 14.72 -14.14 C:40 15.93 -11.99 C:27 18.39 -14.84 C:31 18.39 -10.56 C:150 19.63 -12.72 C:142 19.63 -8.45 C:179 14.99 -15.87 C:75 19.63 -9.87 C:53 18.39 -11.99 C:57 17.16 -14.14 C:45 15.93 -14.84 C:41 17.16 -12.72 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 21 9 -2 10 11 1 10 19 2 12 14 1 12 15 1 13 16 1 13 18 1 14 24 1 15 25 1 16 23 1 17 21 1 22 17 -1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'A', 'ph08_2867_5', 3681, '', '', '1', 47, NULL, NULL),
(14341, 'Henrilabdane B', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14](O)[CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](CC=C(C)C(O)CO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:58]12[CH2:27][CH2:40][C:150](=[CH2:108])[C@H:58]([CH2:24][CH:129]=[C:135]([CH3:12])[CH:79](O)[CH2:66]O)[C@@:41]1([CH3:13])[CH2:41][CH2:21][CH2:39][C@:45]2([CH3:30])[C:181](=O)O', '25 26 H 16.58 -15.12 C:17 20.27 -12.02 C:16 17.81 -7.76 C:18 16.30 -15.89 C:20 16.58 -11.31 O 13.05 -15.56 O 19.05 -5.63 O 14.83 -17.23 O 21.48 -8.46 C:12 19.05 -9.88 C:15 20.27 -6.33 C:2 14.13 -12.75 C:11 17.81 -10.58 C:7 19.05 -14.17 C:3 14.13 -14.17 C:1 15.34 -12.02 C:6 17.81 -14.88 C:8 19.05 -12.75 C:13 19.05 -8.46 C:19 14.41 -15.89 C:14 20.27 -7.76 C:9 17.81 -12.02 C:5 16.58 -14.17 C:4 15.34 -14.88 C:10 16.58 -12.75 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 9 21 1 10 13 1 10 19 2 11 21 1 12 15 1 12 16 1 22 13 -1 14 17 1 14 18 1 15 24 1 16 25 1 17 23 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 16.58 -15.12 C 20.27 -12.02 C 17.81 -7.76 C 16.30 -15.89 C 16.58 -11.31 O 13.05 -15.56 O 19.05 -5.63 O 14.83 -17.23 O 21.48 -8.46 C 19.05 -9.88 C 20.27 -6.33 C 14.13 -12.75 C 17.81 -10.58 C 19.05 -14.17 C 14.13 -14.17 C 15.34 -12.02 C 17.81 -14.88 C 19.05 -12.75 C 19.05 -8.46 C 14.41 -15.89 C 20.27 -7.76 C 17.81 -12.02 C 16.58 -14.17 C 15.34 -14.88 C 16.58 -12.75 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 9 21 1 10 13 1 10 19 2 11 21 1 12 15 1 12 16 1 22 13 -1 14 17 1 14 18 1 15 24 1 16 25 1 17 23 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 16.58 -15.12 C:108 20.27 -12.02 C:12 17.81 -7.76 C:30 16.30 -15.89 C:13 16.58 -11.31 O 13.05 -15.56 O 19.05 -5.63 O 14.83 -17.23 O 21.48 -8.46 C:129 19.05 -9.88 C:66 20.27 -6.33 C:21 14.13 -12.75 C:24 17.81 -10.58 C:40 19.05 -14.17 C:39 14.13 -14.17 C:41 15.34 -12.02 C:27 17.81 -14.88 C:150 19.05 -12.75 C:135 19.05 -8.46 C:181 14.41 -15.89 C:79 20.27 -7.76 C:58 17.81 -12.02 C:58 16.58 -14.17 C:45 15.34 -14.88 C:41 16.58 -12.75 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 11 1 8 20 1 9 21 1 10 13 1 10 19 2 11 21 1 12 15 1 12 16 1 22 13 -1 14 17 1 14 18 1 15 24 1 16 25 1 17 23 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'M+M', 'ph08_2867_6', 3681, '', '', '1', 47, NULL, NULL),
(14342, 'Henrilabdane C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][C:12](=O)[C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](CC(=O)C(C)=CCO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:56]12[CH2:27][CH2:39][C:150](=[CH2:106])[C@H:52]([CH2:34][C:201](=O)[C:143]([CH3:12])=[CH:137][CH2:60]O)[C@@:40]1([CH3:14])[CH2:40][CH2:21][CH2:39][C@:44]2([CH3:30])[C:180](=O)O', '25 26 H 17.17 -15.10 C:17 20.87 -12.00 C:16 18.40 -7.75 C:18 16.89 -15.87 C:20 17.17 -11.29 O 13.65 -15.54 O 20.87 -10.57 O 19.64 -5.63 O 15.43 -17.21 C:14 20.87 -7.75 C:15 20.87 -6.33 C:2 14.73 -12.73 C:7 19.64 -14.15 C:11 18.40 -10.57 C:3 14.73 -14.15 C:6 18.40 -14.86 C:1 15.94 -12.00 C:8 19.64 -12.73 C:13 19.64 -8.45 C:19 15.01 -15.87 C:12 19.64 -9.87 C:9 18.40 -12.00 C:5 17.17 -14.15 C:4 15.94 -14.86 C:10 17.17 -12.73 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 21 2 8 11 1 9 20 1 10 11 1 10 19 2 12 15 1 12 17 1 13 16 1 13 18 1 14 21 1 22 14 -1 15 24 1 16 23 1 17 25 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 17.17 -15.10 C 20.87 -12.00 C 18.40 -7.75 C 16.89 -15.87 C 17.17 -11.29 O 13.65 -15.54 O 20.87 -10.57 O 19.64 -5.63 O 15.43 -17.21 C 20.87 -7.75 C 20.87 -6.33 C 14.73 -12.73 C 19.64 -14.15 C 18.40 -10.57 C 14.73 -14.15 C 18.40 -14.86 C 15.94 -12.00 C 19.64 -12.73 C 19.64 -8.45 C 15.01 -15.87 C 19.64 -9.87 C 18.40 -12.00 C 17.17 -14.15 C 15.94 -14.86 C 17.17 -12.73 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 21 2 8 11 1 9 20 1 10 11 1 10 19 2 12 15 1 12 17 1 13 16 1 13 18 1 14 21 1 22 14 -1 15 24 1 16 23 1 17 25 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 17.17 -15.10 C:106 20.87 -12.00 C:12 18.40 -7.75 C:30 16.89 -15.87 C:14 17.17 -11.29 O 13.65 -15.54 O 20.87 -10.57 O 19.64 -5.63 O 15.43 -17.21 C:137 20.87 -7.75 C:60 20.87 -6.33 C:21 14.73 -12.73 C:39 19.64 -14.15 C:34 18.40 -10.57 C:39 14.73 -14.15 C:27 18.40 -14.86 C:40 15.94 -12.00 C:150 19.64 -12.73 C:143 19.64 -8.45 C:180 15.01 -15.87 C:201 19.64 -9.87 C:52 18.40 -12.00 C:56 17.17 -14.15 C:44 15.94 -14.86 C:40 17.17 -12.73 23 1 -2 2 18 2 3 19 1 24 4 -2 25 5 -1 6 20 2 7 21 2 8 11 1 9 20 1 10 11 1 10 19 2 12 15 1 12 17 1 13 16 1 13 18 1 14 21 1 22 14 -1 15 24 1 16 23 1 17 25 1 18 22 1 19 21 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C20H30O4', 334.22, 'P', 'ph08_2867_7', 3681, '', '', '1', 47, 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
(14343, '', '15-Acetoxy-12-hydroxy-16-methyl-lab-da-8(17),13E-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12](O)[C:13]([CH3:16])=[CH:14][CH2:15]O[C:15001]([CH3:15002])=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(O)C(C)=CCOC(C)=O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:24][CH2:38][C:149](=[CH2:107])[C@H:53]([CH2:28][CH:77](O)[C:143]([CH3:11])=[CH:121][CH2:61]O[C:170]([CH3:22])=O)[C@@:39]1([CH3:15])[CH2:39][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '26 27 H 16.65 -16.80 C:17 20.33 -13.71 C:15002 17.87 -5.27 C:16 17.87 -9.46 C:18 16.37 -17.59 C:19 14.46 -17.59 C:20 16.65 -13.00 O 20.33 -5.27 O 20.33 -12.28 C:14 20.33 -9.46 C:15 20.33 -8.06 C:2 14.18 -14.43 C:7 19.11 -15.85 C:3 14.18 -15.85 C:1 15.41 -13.71 C:6 17.87 -16.56 C:11 17.87 -12.28 O 19.11 -7.36 C:15001 19.11 -5.97 C:8 19.11 -14.43 C:13 19.11 -10.17 C:12 19.11 -11.59 C:9 17.87 -13.71 C:4 15.41 -16.56 C:5 16.65 -15.85 C:10 16.65 -14.43 25 1 -2 2 20 2 3 19 1 4 21 1 24 5 -2 24 6 -1 26 7 -1 8 19 2 9 22 1 10 11 1 10 21 2 11 18 1 12 14 1 12 15 1 13 16 1 13 20 1 14 24 1 15 26 1 16 25 1 17 22 1 23 17 -1 18 19 1 20 23 1 21 22 1 23 26 1 24 25 1 25 26 1', '26 27 H 16.65 -16.80 C 20.33 -13.71 C 17.87 -5.27 C 17.87 -9.46 C 16.37 -17.59 C 14.46 -17.59 C 16.65 -13.00 O 20.33 -5.27 O 20.33 -12.28 C 20.33 -9.46 C 20.33 -8.06 C 14.18 -14.43 C 19.11 -15.85 C 14.18 -15.85 C 15.41 -13.71 C 17.87 -16.56 C 17.87 -12.28 O 19.11 -7.36 C 19.11 -5.97 C 19.11 -14.43 C 19.11 -10.17 C 19.11 -11.59 C 17.87 -13.71 C 15.41 -16.56 C 16.65 -15.85 C 16.65 -14.43 25 1 -2 2 20 2 3 19 1 4 21 1 24 5 -2 24 6 -1 26 7 -1 8 19 2 9 22 1 10 11 1 10 21 2 11 18 1 12 14 1 12 15 1 13 16 1 13 20 1 14 24 1 15 26 1 16 25 1 17 22 1 23 17 -1 18 19 1 20 23 1 21 22 1 23 26 1 24 25 1 25 26 1', '26 27 H 16.65 -16.80 C:107 20.33 -13.71 C:22 17.87 -5.27 C:11 17.87 -9.46 C:34 16.37 -17.59 C:22 14.46 -17.59 C:15 16.65 -13.00 O 20.33 -5.27 O 20.33 -12.28 C:121 20.33 -9.46 C:61 20.33 -8.06 C:19 14.18 -14.43 C:38 19.11 -15.85 C:42 14.18 -15.85 C:39 15.41 -13.71 C:24 17.87 -16.56 C:28 17.87 -12.28 O 19.11 -7.36 C:170 19.11 -5.97 C:149 19.11 -14.43 C:143 19.11 -10.17 C:77 19.11 -11.59 C:53 17.87 -13.71 C:34 15.41 -16.56 C:56 16.65 -15.85 C:39 16.65 -14.43 25 1 -2 2 20 2 3 19 1 4 21 1 24 5 -2 24 6 -1 26 7 -1 8 19 2 9 22 1 10 11 1 10 21 2 11 18 1 12 14 1 12 15 1 13 16 1 13 20 1 14 24 1 15 26 1 16 25 1 17 22 1 23 17 -1 18 19 1 20 23 1 21 22 1 23 26 1 24 25 1 25 26 1', 'C22H36O3', 348.242, 'C', 'pm07_491_1', 3682, '', '', '1', 47, NULL, NULL),
(14344, '', 'Ent-labda-8(17),13-dien-15,16-olid-19-oic acid methyl ester', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][C:15](=O)O[CH2:16]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@]23CCC(=C)[C@@H](CCC1=CC(=O)OC1)[C@]2(C)CCC[C@@]3(C)C(=O)OC', '[H][C@:56]23[CH2:20][CH2:39][C:147](=[CH2:107])[C@@H:55]([CH2:26][CH2:27][C:174]1=[CH:115][C:171](=O)O[CH2:73]1)[C@:44]2([CH3:13])[CH2:39][CH2:21][CH2:38][C@@:40]3([CH3:29])[C:178](=O)O[CH3:51]', '26 28 H 17.49 -15.32 C:17 21.18 -12.22 C:19001 12.98 -16.84 C:18 17.21 -16.12 C:20 17.49 -11.51 O 21.47 -5.38 O 15.70 -17.46 C:14 21.10 -7.85 C:2 15.02 -12.94 C:12 19.95 -10.09 C:7 19.95 -14.36 C:11 18.72 -10.80 C:16 18.82 -7.85 C:3 15.02 -14.36 C:1 16.26 -12.22 C:6 18.72 -15.08 O 13.93 -15.81 O 19.25 -6.52 C:8 19.95 -12.94 C:15 20.65 -6.52 C:13 19.95 -8.68 C:19 15.30 -16.12 C:9 18.72 -12.22 C:5 17.49 -14.36 C:4 16.26 -15.08 C:10 17.49 -12.94 24 1 -1 2 19 2 3 17 1 25 4 -1 26 5 -2 6 20 2 7 22 2 8 20 1 8 21 2 9 14 1 9 15 1 10 12 1 10 21 1 11 16 1 11 19 1 23 12 -2 13 18 1 13 21 1 14 25 1 15 26 1 16 24 1 17 22 1 18 20 1 19 23 1 25 22 -2 23 26 1 24 25 1 24 26 1', '26 28 H 17.49 -15.32 C 21.18 -12.22 C 12.98 -16.84 C 17.21 -16.12 C 17.49 -11.51 O 21.47 -5.38 O 15.70 -17.46 C 21.10 -7.85 C 15.02 -12.94 C 19.95 -10.09 C 19.95 -14.36 C 18.72 -10.80 C 18.82 -7.85 C 15.02 -14.36 C 16.26 -12.22 C 18.72 -15.08 O 13.93 -15.81 O 19.25 -6.52 C 19.95 -12.94 C 20.65 -6.52 C 19.95 -8.68 C 15.30 -16.12 C 18.72 -12.22 C 17.49 -14.36 C 16.26 -15.08 C 17.49 -12.94 24 1 -1 2 19 2 3 17 1 25 4 -1 26 5 -2 6 20 2 7 22 2 8 20 1 8 21 2 9 14 1 9 15 1 10 12 1 10 21 1 11 16 1 11 19 1 23 12 -2 13 18 1 13 21 1 14 25 1 15 26 1 16 24 1 17 22 1 18 20 1 19 23 1 25 22 -2 23 26 1 24 25 1 24 26 1', '26 28 H 17.49 -15.32 C:107 21.18 -12.22 C:51 12.98 -16.84 C:29 17.21 -16.12 C:13 17.49 -11.51 O 21.47 -5.38 O 15.70 -17.46 C:115 21.10 -7.85 C:21 15.02 -12.94 C:27 19.95 -10.09 C:39 19.95 -14.36 C:26 18.72 -10.80 C:73 18.82 -7.85 C:38 15.02 -14.36 C:39 16.26 -12.22 C:20 18.72 -15.08 O 13.93 -15.81 O 19.25 -6.52 C:147 19.95 -12.94 C:171 20.65 -6.52 C:174 19.95 -8.68 C:178 15.30 -16.12 C:55 18.72 -12.22 C:56 17.49 -14.36 C:40 16.26 -15.08 C:44 17.49 -12.94 24 1 -1 2 19 2 3 17 1 25 4 -1 26 5 -2 6 20 2 7 22 2 8 20 1 8 21 2 9 14 1 9 15 1 10 12 1 10 21 1 11 16 1 11 19 1 23 12 -2 13 18 1 13 21 1 14 25 1 15 26 1 16 24 1 17 22 1 18 20 1 19 23 1 25 22 -2 23 26 1 24 25 1 24 26 1', 'C21H30O4', 346.23, 'C', 'pm07_491_2', 3682, '', '', '1', 47, NULL, NULL),
(14345, '', '12-Hydroxy-labda-8(17),13-dien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12](O)[C:13]1=[CH:14][C:15](=O)O[CH2:16]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCC(=C)[C@H](CC(O)C1=CC(=O)OC1)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:55]23[CH2:25][CH2:38][C:148](=[CH2:106])[C@H:53]([CH2:32][CH:68](O)[C:174]1=[CH:116][C:172](=O)O[CH2:71]1)[C@@:40]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@:33]3([CH3:33])[CH3:21]', '24 26 H 16.47 -15.98 C:17 20.16 -12.88 C:18 16.19 -16.78 C:19 14.28 -16.78 C:20 16.47 -12.17 O 20.45 -6.05 O 20.16 -11.47 C:14 20.08 -8.52 C:2 14.00 -13.60 C:7 18.93 -15.02 C:16 17.80 -8.52 C:3 14.00 -15.02 C:1 15.24 -12.88 C:6 17.70 -15.74 C:11 17.70 -11.47 O 18.23 -7.19 C:8 18.93 -13.60 C:15 19.63 -7.19 C:13 18.93 -9.35 C:12 18.93 -10.76 C:9 17.70 -12.88 C:4 15.24 -15.74 C:5 16.47 -15.02 C:10 16.47 -13.60 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 7 20 1 8 18 1 8 19 2 9 12 1 9 13 1 10 14 1 10 17 1 11 16 1 11 19 1 12 22 1 13 24 1 14 23 1 15 20 1 21 15 -1 16 18 1 17 21 1 19 20 1 21 24 1 22 23 1 23 24 1', '24 26 H 16.47 -15.98 C 20.16 -12.88 C 16.19 -16.78 C 14.28 -16.78 C 16.47 -12.17 O 20.45 -6.05 O 20.16 -11.47 C 20.08 -8.52 C 14.00 -13.60 C 18.93 -15.02 C 17.80 -8.52 C 14.00 -15.02 C 15.24 -12.88 C 17.70 -15.74 C 17.70 -11.47 O 18.23 -7.19 C 18.93 -13.60 C 19.63 -7.19 C 18.93 -9.35 C 18.93 -10.76 C 17.70 -12.88 C 15.24 -15.74 C 16.47 -15.02 C 16.47 -13.60 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 7 20 1 8 18 1 8 19 2 9 12 1 9 13 1 10 14 1 10 17 1 11 16 1 11 19 1 12 22 1 13 24 1 14 23 1 15 20 1 21 15 -1 16 18 1 17 21 1 19 20 1 21 24 1 22 23 1 23 24 1', '24 26 H 16.47 -15.98 C:106 20.16 -12.88 C:33 16.19 -16.78 C:21 14.28 -16.78 C:14 16.47 -12.17 O 20.45 -6.05 O 20.16 -11.47 C:116 20.08 -8.52 C:19 14.00 -13.60 C:38 18.93 -15.02 C:71 17.80 -8.52 C:42 14.00 -15.02 C:39 15.24 -12.88 C:25 17.70 -15.74 C:32 17.70 -11.47 O 18.23 -7.19 C:148 18.93 -13.60 C:172 19.63 -7.19 C:174 18.93 -9.35 C:68 18.93 -10.76 C:53 17.70 -12.88 C:33 15.24 -15.74 C:55 16.47 -15.02 C:40 16.47 -13.60 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 7 20 1 8 18 1 8 19 2 9 12 1 9 13 1 10 14 1 10 17 1 11 16 1 11 19 1 12 22 1 13 24 1 14 23 1 15 20 1 21 15 -1 16 18 1 17 21 1 19 20 1 21 24 1 22 23 1 23 24 1', 'C20H30O3', 318.22, 'C', 'pm07_491_3', 3682, '', '', '1', 47, NULL, NULL),
(14346, '', '19-Acet-oxy-ent-labda-8(17),13-dien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][C:15](=O)O[CH2:16]1)[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@]23CCC(=C)[C@@H](CCC1=CC(=O)OC1)[C@]2(C)CCC[C@@]3(C)COC(C)=O', '[H][C@:56]23[CH2:24][CH2:38][C:147](=[CH2:108])[C@@H:56]([CH2:20][CH2:28][C:174]1=[CH:114][C:171](=O)O[CH2:73]1)[C@:39]2([CH3:14])[CH2:40][CH2:21][CH2:34][C@@:36]3([CH3:28])[CH2:66]O[C:170]([CH3:22])=O', '27 29 H 17.32 -14.15 C:17 21.01 -11.05 C:19002 14.98 -18.65 C:18 17.04 -14.95 C:20 17.32 -10.34 O 13.21 -16.99 O 21.30 -4.20 C:14 20.93 -6.67 C:2 14.85 -11.77 C:12 19.78 -8.92 C:7 19.78 -13.19 C:11 18.55 -9.63 C:16 18.65 -6.67 C:3 14.85 -13.19 C:1 16.09 -11.05 C:6 18.55 -13.91 C:19 15.13 -14.95 O 19.08 -5.34 O 15.53 -16.29 C:19001 14.57 -17.31 C:8 19.78 -11.77 C:15 20.48 -5.34 C:13 19.78 -7.51 C:9 18.55 -11.05 C:5 17.32 -13.19 C:4 16.09 -13.91 C:10 17.32 -11.77 25 1 -1 2 21 2 3 20 1 26 4 -1 27 5 -2 6 20 2 7 22 2 8 22 1 8 23 2 9 14 1 9 15 1 10 12 1 10 23 1 11 16 1 11 21 1 24 12 -2 13 18 1 13 23 1 14 26 1 15 27 1 16 25 1 17 19 1 26 17 -2 18 22 1 19 20 1 21 24 1 24 27 1 25 26 1 25 27 1', '27 29 H 17.32 -14.15 C 21.01 -11.05 C 14.98 -18.65 C 17.04 -14.95 C 17.32 -10.34 O 13.21 -16.99 O 21.30 -4.20 C 20.93 -6.67 C 14.85 -11.77 C 19.78 -8.92 C 19.78 -13.19 C 18.55 -9.63 C 18.65 -6.67 C 14.85 -13.19 C 16.09 -11.05 C 18.55 -13.91 C 15.13 -14.95 O 19.08 -5.34 O 15.53 -16.29 C 14.57 -17.31 C 19.78 -11.77 C 20.48 -5.34 C 19.78 -7.51 C 18.55 -11.05 C 17.32 -13.19 C 16.09 -13.91 C 17.32 -11.77 25 1 -1 2 21 2 3 20 1 26 4 -1 27 5 -2 6 20 2 7 22 2 8 22 1 8 23 2 9 14 1 9 15 1 10 12 1 10 23 1 11 16 1 11 21 1 24 12 -2 13 18 1 13 23 1 14 26 1 15 27 1 16 25 1 17 19 1 26 17 -2 18 22 1 19 20 1 21 24 1 24 27 1 25 26 1 25 27 1', '27 29 H 17.32 -14.15 C:108 21.01 -11.05 C:22 14.98 -18.65 C:28 17.04 -14.95 C:14 17.32 -10.34 O 13.21 -16.99 O 21.30 -4.20 C:114 20.93 -6.67 C:21 14.85 -11.77 C:28 19.78 -8.92 C:38 19.78 -13.19 C:20 18.55 -9.63 C:73 18.65 -6.67 C:34 14.85 -13.19 C:40 16.09 -11.05 C:24 18.55 -13.91 C:66 15.13 -14.95 O 19.08 -5.34 O 15.53 -16.29 C:170 14.57 -17.31 C:147 19.78 -11.77 C:171 20.48 -5.34 C:174 19.78 -7.51 C:56 18.55 -11.05 C:56 17.32 -13.19 C:36 16.09 -13.91 C:39 17.32 -11.77 25 1 -1 2 21 2 3 20 1 26 4 -1 27 5 -2 6 20 2 7 22 2 8 22 1 8 23 2 9 14 1 9 15 1 10 12 1 10 23 1 11 16 1 11 21 1 24 12 -2 13 18 1 13 23 1 14 26 1 15 27 1 16 25 1 17 19 1 26 17 -2 18 22 1 19 20 1 21 24 1 24 27 1 25 26 1 25 27 1', 'C22H32O4', 360.241, 'C', 'pm07_491_4', 3682, '', '', '1', 47, NULL, NULL),
(14347, '15-O-Ethylleopersin C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C:6](=O)[C@H:7](O)[C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@:13]1([CH2:16]O[C@H:15](O[CH2:15001][CH3:15002])[CH2:14]1)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34C(=O)[C@H](O)[C@@H](C)[C@]2(CC[C@]1(CO[C@H](OCC)C1)O2)[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:57]34[C:212](=O)[C@H:78](O)[C@@H:47]([CH3:13])[C@:92]2([CH2:30][CH2:39][C@:91]1([CH2:78]O[C@H:104](O[CH2:63][CH3:15])[CH2:48]1)O2)[C@@:49]3([CH3:20])[CH2:33][CH2:19][CH2:43][C@:33]4([CH3:33])[CH3:22]', '28 31 H 14.52 -14.30 C:15002 22.49 -9.63 C:17 18.28 -11.18 C:18 14.25 -15.10 C:19 12.29 -15.10 C:20 13.91 -10.66 O 15.77 -15.45 O 18.28 -13.98 C:15001 21.09 -9.63 C:2 12.01 -11.92 C:3 12.01 -13.33 C:1 13.27 -11.18 C:12 15.63 -8.89 C:11 14.90 -10.23 C:16 16.79 -7.86 C:14 18.28 -9.63 O 20.39 -8.45 O 18.10 -7.35 O 17.04 -10.52 C:6 15.77 -14.05 C:8 17.04 -11.92 C:15 18.99 -8.45 C:7 17.04 -13.33 C:4 13.27 -14.05 C:13 16.87 -9.28 C:10 14.52 -11.92 C:5 14.52 -13.33 C:9 15.77 -11.18 27 1 -2 2 9 1 21 3 -2 24 4 -2 24 5 -1 26 6 -1 7 20 2 23 8 -1 9 17 1 10 11 1 10 12 1 11 24 1 12 26 1 13 14 1 13 25 1 14 28 1 15 18 1 15 25 1 16 22 1 16 25 1 22 17 -2 18 22 1 25 19 -2 28 19 -2 20 23 1 20 27 1 21 23 1 21 28 1 24 27 1 26 27 1 26 28 1', '28 31 H 14.52 -14.30 C 22.49 -9.63 C 18.28 -11.18 C 14.25 -15.10 C 12.29 -15.10 C 13.91 -10.66 O 15.77 -15.45 O 18.28 -13.98 C 21.09 -9.63 C 12.01 -11.92 C 12.01 -13.33 C 13.27 -11.18 C 15.63 -8.89 C 14.90 -10.23 C 16.79 -7.86 C 18.28 -9.63 O 20.39 -8.45 O 18.10 -7.35 O 17.04 -10.52 C 15.77 -14.05 C 17.04 -11.92 C 18.99 -8.45 C 17.04 -13.33 C 13.27 -14.05 C 16.87 -9.28 C 14.52 -11.92 C 14.52 -13.33 C 15.77 -11.18 27 1 -2 2 9 1 21 3 -2 24 4 -2 24 5 -1 26 6 -1 7 20 2 23 8 -1 9 17 1 10 11 1 10 12 1 11 24 1 12 26 1 13 14 1 13 25 1 14 28 1 15 18 1 15 25 1 16 22 1 16 25 1 22 17 -2 18 22 1 25 19 -2 28 19 -2 20 23 1 20 27 1 21 23 1 21 28 1 24 27 1 26 27 1 26 28 1', '28 31 H 14.52 -14.30 C:15 22.49 -9.63 C:13 18.28 -11.18 C:33 14.25 -15.10 C:22 12.29 -15.10 C:20 13.91 -10.66 O 15.77 -15.45 O 18.28 -13.98 C:63 21.09 -9.63 C:19 12.01 -11.92 C:43 12.01 -13.33 C:33 13.27 -11.18 C:39 15.63 -8.89 C:30 14.90 -10.23 C:78 16.79 -7.86 C:48 18.28 -9.63 O 20.39 -8.45 O 18.10 -7.35 O 17.04 -10.52 C:212 15.77 -14.05 C:47 17.04 -11.92 C:104 18.99 -8.45 C:78 17.04 -13.33 C:33 13.27 -14.05 C:91 16.87 -9.28 C:49 14.52 -11.92 C:57 14.52 -13.33 C:92 15.77 -11.18 27 1 -2 2 9 1 21 3 -2 24 4 -2 24 5 -1 26 6 -1 7 20 2 23 8 -1 9 17 1 10 11 1 10 12 1 11 24 1 12 26 1 13 14 1 13 25 1 14 28 1 15 18 1 15 25 1 16 22 1 16 25 1 22 17 -2 18 22 1 25 19 -2 28 19 -2 20 23 1 20 27 1 21 23 1 21 28 1 24 27 1 26 27 1 26 28 1', 'C22H36O5', 380.24, 'C', 'pm08_1288_1', 3658, '', '', '1', 47, NULL, NULL),
(14348, '15-O-Methylleopersin C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C:6](=O)[C@H:7](O)[C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@:13]1([CH2:16]O[C@H:15](O[CH3:15001])[CH2:14]1)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34C(=O)[C@H](O)[C@@H](C)[C@]2(CC[C@]1(CO[C@H](OC)C1)O2)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:57]34[C:212](=O)[C@H:78](O)[C@@H:47]([CH3:13])[C@:92]2([CH2:30][CH2:39][C@:91]1([CH2:78]O[C@H:106](O[CH3:55])[CH2:48]1)O2)[C@@:48]3([CH3:20])[CH2:33][CH2:19][CH2:43][C@@:33]4([CH3:22])[CH3:33]', '27 30 H 15.20 -14.30 C:15001 21.77 -9.63 C:17 18.96 -11.18 C:19 12.96 -15.10 C:18 14.93 -15.10 C:20 14.59 -10.66 O 16.45 -15.45 O 18.96 -13.98 C:2 12.68 -11.92 C:3 12.68 -13.33 C:1 13.94 -11.18 C:12 16.31 -8.89 C:11 15.58 -10.23 C:16 17.47 -7.86 C:14 18.96 -9.63 O 21.07 -8.45 O 18.78 -7.35 O 17.72 -10.52 C:6 16.45 -14.05 C:8 17.72 -11.92 C:15 19.67 -8.45 C:7 17.72 -13.33 C:4 13.94 -14.05 C:13 17.55 -9.28 C:10 15.20 -11.92 C:5 15.20 -13.33 C:9 16.45 -11.18 26 1 -2 2 16 1 20 3 -2 23 4 -1 23 5 -2 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 12 24 1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -2 17 21 1 24 18 -2 27 18 -2 19 22 1 19 26 1 20 22 1 20 27 1 23 26 1 25 26 1 25 27 1', '27 30 H 15.20 -14.30 C 21.77 -9.63 C 18.96 -11.18 C 12.96 -15.10 C 14.93 -15.10 C 14.59 -10.66 O 16.45 -15.45 O 18.96 -13.98 C 12.68 -11.92 C 12.68 -13.33 C 13.94 -11.18 C 16.31 -8.89 C 15.58 -10.23 C 17.47 -7.86 C 18.96 -9.63 O 21.07 -8.45 O 18.78 -7.35 O 17.72 -10.52 C 16.45 -14.05 C 17.72 -11.92 C 19.67 -8.45 C 17.72 -13.33 C 13.94 -14.05 C 17.55 -9.28 C 15.20 -11.92 C 15.20 -13.33 C 16.45 -11.18 26 1 -2 2 16 1 20 3 -2 23 4 -1 23 5 -2 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 12 24 1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -2 17 21 1 24 18 -2 27 18 -2 19 22 1 19 26 1 20 22 1 20 27 1 23 26 1 25 26 1 25 27 1', '27 30 H 15.20 -14.30 C:55 21.77 -9.63 C:13 18.96 -11.18 C:22 12.96 -15.10 C:33 14.93 -15.10 C:20 14.59 -10.66 O 16.45 -15.45 O 18.96 -13.98 C:19 12.68 -11.92 C:43 12.68 -13.33 C:33 13.94 -11.18 C:39 16.31 -8.89 C:30 15.58 -10.23 C:78 17.47 -7.86 C:48 18.96 -9.63 O 21.07 -8.45 O 18.78 -7.35 O 17.72 -10.52 C:212 16.45 -14.05 C:47 17.72 -11.92 C:106 19.67 -8.45 C:78 17.72 -13.33 C:33 13.94 -14.05 C:91 17.55 -9.28 C:48 15.20 -11.92 C:57 15.20 -13.33 C:92 16.45 -11.18 26 1 -2 2 16 1 20 3 -2 23 4 -1 23 5 -2 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 12 24 1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -2 17 21 1 24 18 -2 27 18 -2 19 22 1 19 26 1 20 22 1 20 27 1 23 26 1 25 26 1 25 27 1', 'C21H34O5', 366.23, 'C', 'pm08_1288_2', 3658, '', '', '1', 47, NULL, NULL),
(14349, '15-Epi-O-methylleopersin C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C:6](=O)[C@H:7](O)[C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@:13]1([CH2:16]O[C@@H:15](O[CH3:15001])[CH2:14]1)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34C(=O)[C@H](O)[C@@H](C)[C@]2(CC[C@]1(CO[C@@H](OC)C1)O2)[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:57]34[C:212](=O)[C@H:78](O)[C@@H:47]([CH3:13])[C@:92]2([CH2:29][CH2:40][C@:91]1([CH2:76]O[C@@H:105](O[CH3:55])[CH2:47]1)O2)[C@@:49]3([CH3:20])[CH2:33][CH2:19][CH2:43][C@:33]4([CH3:33])[CH3:22]', '27 30 H 15.24 -14.34 C:15001 21.81 -9.68 C:17 19.00 -11.23 C:18 14.97 -15.14 C:19 13.01 -15.14 C:20 14.63 -10.71 O 16.49 -15.49 O 19.00 -14.03 C:2 12.73 -11.97 C:3 12.73 -13.38 C:1 13.99 -11.23 C:12 16.35 -8.94 C:11 15.62 -10.28 C:16 17.51 -7.91 C:14 19.00 -9.68 O 21.11 -8.50 O 18.82 -7.40 O 17.76 -10.57 C:6 16.49 -14.09 C:8 17.76 -11.97 C:15 19.71 -8.50 C:7 17.76 -13.38 C:4 13.99 -14.09 C:13 17.59 -9.33 C:10 15.24 -11.97 C:5 15.24 -13.38 C:9 16.49 -11.23 26 1 -2 2 16 1 20 3 -2 23 4 -2 23 5 -1 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 12 24 1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -1 17 21 1 24 18 -2 27 18 -2 19 22 1 19 26 1 20 22 1 20 27 1 23 26 1 25 26 1 25 27 1', '27 30 H 15.24 -14.34 C 21.81 -9.68 C 19.00 -11.23 C 14.97 -15.14 C 13.01 -15.14 C 14.63 -10.71 O 16.49 -15.49 O 19.00 -14.03 C 12.73 -11.97 C 12.73 -13.38 C 13.99 -11.23 C 16.35 -8.94 C 15.62 -10.28 C 17.51 -7.91 C 19.00 -9.68 O 21.11 -8.50 O 18.82 -7.40 O 17.76 -10.57 C 16.49 -14.09 C 17.76 -11.97 C 19.71 -8.50 C 17.76 -13.38 C 13.99 -14.09 C 17.59 -9.33 C 15.24 -11.97 C 15.24 -13.38 C 16.49 -11.23 26 1 -2 2 16 1 20 3 -2 23 4 -2 23 5 -1 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 12 24 1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -1 17 21 1 24 18 -2 27 18 -2 19 22 1 19 26 1 20 22 1 20 27 1 23 26 1 25 26 1 25 27 1', '27 30 H 15.24 -14.34 C:55 21.81 -9.68 C:13 19.00 -11.23 C:33 14.97 -15.14 C:22 13.01 -15.14 C:20 14.63 -10.71 O 16.49 -15.49 O 19.00 -14.03 C:19 12.73 -11.97 C:43 12.73 -13.38 C:33 13.99 -11.23 C:40 16.35 -8.94 C:29 15.62 -10.28 C:76 17.51 -7.91 C:47 19.00 -9.68 O 21.11 -8.50 O 18.82 -7.40 O 17.76 -10.57 C:212 16.49 -14.09 C:47 17.76 -11.97 C:105 19.71 -8.50 C:78 17.76 -13.38 C:33 13.99 -14.09 C:91 17.59 -9.33 C:49 15.24 -11.97 C:57 15.24 -13.38 C:92 16.49 -11.23 26 1 -2 2 16 1 20 3 -2 23 4 -2 23 5 -1 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 12 24 1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -1 17 21 1 24 18 -2 27 18 -2 19 22 1 19 26 1 20 22 1 20 27 1 23 26 1 25 26 1 25 27 1', 'C21H34O5', 366.23, 'C', 'pm08_1288_3', 3658, '', '', '1', 47, NULL, NULL),
(14350, 'Aulacocarpin D', '15,16-Epoxy-14x,16x-dimethoxylabda-8(17),12-(E)-diene.', '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[CH:14](O[CH3:16001])[CH2:15]O[CH:16]1O[CH3:14001])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCC(=C)[C@H](CC=C1C(OC)COC1OC)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:55]23[CH2:25][CH2:38][C:149](=[CH2:108])[C@H:55]([CH2:25][CH:135]=[C:139]1[CH:78](O[CH3:56])[CH2:71]O[CH:105]1O[CH3:57])[C@@:40]2([CH3:15])[CH2:40][CH2:20][CH2:43][C@:34]3([CH3:34])[CH3:22]', '26 28 H 15.83 -15.44 C:17 19.52 -12.34 C:16001 14.79 -7.44 C:14001 21.08 -9.74 C:18 15.55 -16.24 C:19 13.64 -16.24 C:20 15.83 -11.63 C:12 18.29 -10.21 C:2 13.36 -13.06 C:11 17.06 -10.92 C:7 18.29 -14.48 C:15 17.59 -6.63 C:3 13.36 -14.48 C:1 14.60 -12.34 C:6 17.06 -15.20 O 15.83 -8.38 O 20.78 -8.38 O 18.99 -6.63 C:8 18.29 -13.06 C:13 18.29 -8.79 C:14 17.16 -7.96 C:16 19.44 -7.96 C:9 17.06 -12.34 C:4 14.60 -15.20 C:5 15.83 -14.48 C:10 15.83 -13.06 25 1 -2 2 19 2 3 16 1 4 17 1 24 5 -2 24 6 -1 26 7 -1 8 10 1 8 20 2 9 13 1 9 14 1 23 10 -1 11 15 1 11 19 1 12 18 1 12 21 1 13 24 1 14 26 1 15 25 1 16 21 1 17 22 1 18 22 1 19 23 1 20 21 1 20 22 1 23 26 1 24 25 1 25 26 1', '26 28 H 15.83 -15.44 C 19.52 -12.34 C 14.79 -7.44 C 21.08 -9.74 C 15.55 -16.24 C 13.64 -16.24 C 15.83 -11.63 C 18.29 -10.21 C 13.36 -13.06 C 17.06 -10.92 C 18.29 -14.48 C 17.59 -6.63 C 13.36 -14.48 C 14.60 -12.34 C 17.06 -15.20 O 15.83 -8.38 O 20.78 -8.38 O 18.99 -6.63 C 18.29 -13.06 C 18.29 -8.79 C 17.16 -7.96 C 19.44 -7.96 C 17.06 -12.34 C 14.60 -15.20 C 15.83 -14.48 C 15.83 -13.06 25 1 -2 2 19 2 3 16 1 4 17 1 24 5 -2 24 6 -1 26 7 -1 8 10 1 8 20 2 9 13 1 9 14 1 23 10 -1 11 15 1 11 19 1 12 18 1 12 21 1 13 24 1 14 26 1 15 25 1 16 21 1 17 22 1 18 22 1 19 23 1 20 21 1 20 22 1 23 26 1 24 25 1 25 26 1', '26 28 H 15.83 -15.44 C:108 19.52 -12.34 C:56 14.79 -7.44 C:57 21.08 -9.74 C:34 15.55 -16.24 C:22 13.64 -16.24 C:15 15.83 -11.63 C:135 18.29 -10.21 C:20 13.36 -13.06 C:25 17.06 -10.92 C:38 18.29 -14.48 C:71 17.59 -6.63 C:43 13.36 -14.48 C:40 14.60 -12.34 C:25 17.06 -15.20 O 15.83 -8.38 O 20.78 -8.38 O 18.99 -6.63 C:149 18.29 -13.06 C:139 18.29 -8.79 C:78 17.16 -7.96 C:105 19.44 -7.96 C:55 17.06 -12.34 C:34 14.60 -15.20 C:55 15.83 -14.48 C:40 15.83 -13.06 25 1 -2 2 19 2 3 16 1 4 17 1 24 5 -2 24 6 -1 26 7 -1 8 10 1 8 20 2 9 13 1 9 14 1 23 10 -1 11 15 1 11 19 1 12 18 1 12 21 1 13 24 1 14 26 1 15 25 1 16 21 1 17 22 1 18 22 1 19 23 1 20 21 1 20 22 1 23 26 1 24 25 1 25 26 1', 'C22H36O3', 348.242, 'C', 'tt07_8993_2', 4302, '', '', '1', 47, NULL, NULL),
(14351, 'Aulacocarpin ab', '8β(17)-Epoxy-14,15,16-triacetoxylabd-12(E)-ene.', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]1([CH2:17]O1)[C@H:9]([CH2:11][CH:12]=[C:13]([CH2:16]O[C:16001]([CH3:16002])=O)[CH:14]([CH2:15]O[C:15001]([CH3:15002])=O)O[C:14001]([CH3:14002])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CC[C@@]1(CO1)[C@H](CC=C(COC(C)=O)C(COC(C)=O)OC(C)=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:54]23[CH2:21][CH2:36][C@@:58]1([CH2:49]O1)[C@H:55]([CH2:21][CH:140]=[C:129]([CH2:65]O[C:170]([CH3:21])=O)[CH:71]([CH2:65]O[C:171]([CH3:21])=O)O[C:171]([CH3:21])=O)[C@@:40]2([CH3:15])[CH2:40][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:34]', '34 36 H 15.39 -16.78 C:16002 20.31 -5.93 C:15002 14.16 -5.23 C:14002 12.94 -10.06 C:19 13.22 -17.58 C:18 15.11 -17.58 C:20 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.23 O 14.16 -7.98 C:12 17.85 -11.57 C:2 12.94 -14.42 C:11 16.61 -12.27 C:16 19.09 -9.39 C:15 16.61 -7.98 C:3 12.94 -15.83 C:1 14.16 -13.70 C:6 16.61 -16.54 C:7 17.85 -15.83 C:17 19.09 -13.70 O 19.09 -7.98 O 15.39 -7.32 O 19.09 -15.10 O 15.39 -10.06 C:16001 20.31 -7.32 C:15001 15.39 -5.93 C:14001 14.16 -9.39 C:13 17.85 -10.15 C:14 16.61 -9.39 C:9 16.61 -13.70 C:4 14.16 -16.54 C:5 15.39 -15.83 C:10 15.39 -14.42 C:8 17.85 -14.42 32 1 -2 2 25 1 3 26 1 4 27 1 31 5 -1 31 6 -2 33 7 -1 8 25 2 9 26 2 10 27 2 11 13 1 11 28 2 12 16 1 12 17 1 30 13 -1 14 21 1 14 28 1 15 22 1 15 29 1 16 31 1 17 33 1 18 19 1 18 32 1 19 34 1 20 23 1 34 20 -2 21 25 1 22 26 1 34 23 -1 24 27 1 24 29 1 28 29 1 30 33 1 30 34 1 31 32 1 32 33 1', '34 36 H 15.39 -16.78 C 20.31 -5.93 C 14.16 -5.23 C 12.94 -10.06 C 13.22 -17.58 C 15.11 -17.58 C 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.23 O 14.16 -7.98 C 17.85 -11.57 C 12.94 -14.42 C 16.61 -12.27 C 19.09 -9.39 C 16.61 -7.98 C 12.94 -15.83 C 14.16 -13.70 C 16.61 -16.54 C 17.85 -15.83 C 19.09 -13.70 O 19.09 -7.98 O 15.39 -7.32 O 19.09 -15.10 O 15.39 -10.06 C 20.31 -7.32 C 15.39 -5.93 C 14.16 -9.39 C 17.85 -10.15 C 16.61 -9.39 C 16.61 -13.70 C 14.16 -16.54 C 15.39 -15.83 C 15.39 -14.42 C 17.85 -14.42 32 1 -2 2 25 1 3 26 1 4 27 1 31 5 -1 31 6 -2 33 7 -1 8 25 2 9 26 2 10 27 2 11 13 1 11 28 2 12 16 1 12 17 1 30 13 -1 14 21 1 14 28 1 15 22 1 15 29 1 16 31 1 17 33 1 18 19 1 18 32 1 19 34 1 20 23 1 34 20 -2 21 25 1 22 26 1 34 23 -1 24 27 1 24 29 1 28 29 1 30 33 1 30 34 1 31 32 1 32 33 1', '34 36 H 15.39 -16.78 C:21 20.31 -5.93 C:21 14.16 -5.23 C:21 12.94 -10.06 C:22 13.22 -17.58 C:34 15.11 -17.58 C:15 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.23 O 14.16 -7.98 C:140 17.85 -11.57 C:19 12.94 -14.42 C:21 16.61 -12.27 C:65 19.09 -9.39 C:65 16.61 -7.98 C:42 12.94 -15.83 C:40 14.16 -13.70 C:21 16.61 -16.54 C:36 17.85 -15.83 C:49 19.09 -13.70 O 19.09 -7.98 O 15.39 -7.32 O 19.09 -15.10 O 15.39 -10.06 C:170 20.31 -7.32 C:171 15.39 -5.93 C:171 14.16 -9.39 C:129 17.85 -10.15 C:71 16.61 -9.39 C:55 16.61 -13.70 C:34 14.16 -16.54 C:54 15.39 -15.83 C:40 15.39 -14.42 C:58 17.85 -14.42 32 1 -2 2 25 1 3 26 1 4 27 1 31 5 -1 31 6 -2 33 7 -1 8 25 2 9 26 2 10 27 2 11 13 1 11 28 2 12 16 1 12 17 1 30 13 -1 14 21 1 14 28 1 15 22 1 15 29 1 16 31 1 17 33 1 18 19 1 18 32 1 19 34 1 20 23 1 34 20 -2 21 25 1 22 26 1 34 23 -1 24 27 1 24 29 1 28 29 1 30 33 1 30 34 1 31 32 1 32 33 1', 'C26H40O7', 464.282, 'C', 'tt07_8993_1a', 4302, '', '', '1', 47, NULL, NULL),
(14352, 'Aulacocarpin 3b', '17-Hydroxy-14,15,16-triacetoxylabda-8(E),12(Z)-diene.', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8]([CH2:17]O)=[C:9]([CH2:11][CH:12]=[C:13]([CH2:16]O[C:16001]([CH3:16002])=O)[CH:14]([CH2:15]O[C:15001]([CH3:15002])=O)O[C:14001]([CH3:14002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(CO)=C(CC=C(COC(C)=O)C(COC(C)=O)OC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:52]12[CH2:19][CH2:30][C:133]([CH2:64]O)=[C:143]([CH2:26][CH:140]=[C:128]([CH2:66]O[C:171]([CH3:21])=O)[CH:70]([CH2:65]O[C:171]([CH3:21])=O)O[C:171]([CH3:22])=O)[C@@:40]1([CH3:20])[CH2:37][CH2:19][CH2:42][C@@:34]2([CH3:22])[CH3:34]', '34 35 H 15.39 -16.78 C:16002 20.31 -5.94 C:15002 14.17 -5.24 C:14002 12.94 -10.06 C:19 13.22 -17.59 C:18 15.11 -17.59 C:20 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.24 O 14.17 -7.98 O 20.31 -14.43 C:12 17.86 -11.57 C:17 19.10 -13.71 C:2 12.94 -14.43 C:11 16.61 -12.27 C:7 17.86 -15.83 C:16 19.10 -9.39 C:3 12.94 -15.83 C:1 14.17 -13.71 C:6 16.61 -16.54 C:15 16.61 -7.98 O 19.10 -7.98 O 15.39 -7.32 O 15.39 -10.06 C:16001 20.31 -7.32 C:15001 15.39 -5.94 C:14001 14.17 -9.39 C:8 17.86 -14.43 C:13 17.86 -10.15 C:9 16.61 -13.71 C:14 16.61 -9.39 C:4 14.17 -16.54 C:10 15.39 -14.43 C:5 15.39 -15.83 34 1 -2 2 25 1 3 26 1 4 27 1 32 5 -1 32 6 -2 33 7 -1 8 25 2 9 26 2 10 27 2 11 13 1 12 15 1 12 29 2 13 28 1 14 18 1 14 19 1 15 30 1 16 20 1 16 28 1 17 22 1 17 29 1 18 32 1 19 33 1 20 34 1 21 23 1 21 31 1 22 25 1 23 26 1 24 27 1 24 31 1 28 30 2 29 31 1 30 33 1 32 34 1 33 34 1', '34 35 H 15.39 -16.78 C 20.31 -5.94 C 14.17 -5.24 C 12.94 -10.06 C 13.22 -17.59 C 15.11 -17.59 C 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.24 O 14.17 -7.98 O 20.31 -14.43 C 17.86 -11.57 C 19.10 -13.71 C 12.94 -14.43 C 16.61 -12.27 C 17.86 -15.83 C 19.10 -9.39 C 12.94 -15.83 C 14.17 -13.71 C 16.61 -16.54 C 16.61 -7.98 O 19.10 -7.98 O 15.39 -7.32 O 15.39 -10.06 C 20.31 -7.32 C 15.39 -5.94 C 14.17 -9.39 C 17.86 -14.43 C 17.86 -10.15 C 16.61 -13.71 C 16.61 -9.39 C 14.17 -16.54 C 15.39 -14.43 C 15.39 -15.83 34 1 -2 2 25 1 3 26 1 4 27 1 32 5 -1 32 6 -2 33 7 -1 8 25 2 9 26 2 10 27 2 11 13 1 12 15 1 12 29 2 13 28 1 14 18 1 14 19 1 15 30 1 16 20 1 16 28 1 17 22 1 17 29 1 18 32 1 19 33 1 20 34 1 21 23 1 21 31 1 22 25 1 23 26 1 24 27 1 24 31 1 28 30 2 29 31 1 30 33 1 32 34 1 33 34 1', '34 35 H 15.39 -16.78 C:21 20.31 -5.94 C:21 14.17 -5.24 C:22 12.94 -10.06 C:22 13.22 -17.59 C:34 15.11 -17.59 C:20 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.24 O 14.17 -7.98 O 20.31 -14.43 C:140 17.86 -11.57 C:64 19.10 -13.71 C:19 12.94 -14.43 C:26 16.61 -12.27 C:30 17.86 -15.83 C:66 19.10 -9.39 C:42 12.94 -15.83 C:37 14.17 -13.71 C:19 16.61 -16.54 C:65 16.61 -7.98 O 19.10 -7.98 O 15.39 -7.32 O 15.39 -10.06 C:171 20.31 -7.32 C:171 15.39 -5.94 C:171 14.17 -9.39 C:133 17.86 -14.43 C:128 17.86 -10.15 C:143 16.61 -13.71 C:70 16.61 -9.39 C:34 14.17 -16.54 C:40 15.39 -14.43 C:52 15.39 -15.83 34 1 -2 2 25 1 3 26 1 4 27 1 32 5 -1 32 6 -2 33 7 -1 8 25 2 9 26 2 10 27 2 11 13 1 12 15 1 12 29 2 13 28 1 14 18 1 14 19 1 15 30 1 16 20 1 16 28 1 17 22 1 17 29 1 18 32 1 19 33 1 20 34 1 21 23 1 21 31 1 22 25 1 23 26 1 24 27 1 24 31 1 28 30 2 29 31 1 30 33 1 32 34 1 33 34 1', 'C26H40O7', 464.282, 'C', 'tt07_8993_3', 4302, '', '', '1', 47, NULL, NULL),
(14353, 'Aulacocarpin 4b', '17-Hydroxy-14,15,16-triacetoxylabda-7(E),12(Z)-diene.', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH:7]=[C:8]([CH2:17]O)[C@H:9]([CH2:11][CH:12]=[C:13]([CH2:16]O[C:16001]([CH3:16002])=O)[CH:14]([CH2:15]O[C:15001]([CH3:15002])=O)O[C:14001]([CH3:14002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC=C(CO)[C@H](CC=C(COC(C)=O)C(COC(C)=O)OC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:52]12[CH2:18][CH:126]=[C:137]([CH2:63]O)[C@H:49]([CH2:24][CH:139]=[C:127]([CH2:64]O[C:170]([CH3:20])=O)[CH:69]([CH2:65]O[C:170]([CH3:20])=O)O[C:170]([CH3:20])=O)[C@@:36]1([CH3:13])[CH2:36][CH2:18][CH2:41][C@@:36]2([CH3:21])[CH3:32]', '34 35 H 15.39 -16.78 C:16002 20.31 -5.94 C:15002 14.17 -5.24 C:14002 12.94 -10.06 C:19 13.22 -17.59 C:18 15.11 -17.59 C:20 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.24 O 14.17 -7.98 O 20.31 -14.43 C:12 17.86 -11.57 C:7 17.86 -15.83 C:17 19.10 -13.71 C:2 12.94 -14.43 C:11 16.61 -12.27 C:6 16.61 -16.54 C:16 19.10 -9.39 C:3 12.94 -15.83 C:1 14.17 -13.71 C:15 16.61 -7.98 O 19.10 -7.98 O 15.39 -7.32 O 15.39 -10.06 C:16001 20.31 -7.32 C:15001 15.39 -5.94 C:14001 14.17 -9.39 C:8 17.86 -14.43 C:13 17.86 -10.15 C:14 16.61 -9.39 C:9 16.61 -13.71 C:4 14.17 -16.54 C:5 15.39 -15.83 C:10 15.39 -14.43 33 1 -2 2 25 1 3 26 1 4 27 1 32 5 -1 32 6 -2 34 7 -1 8 25 2 9 26 2 10 27 2 11 14 1 12 16 1 12 29 2 13 17 1 13 28 2 14 28 1 15 19 1 15 20 1 31 16 -1 17 33 1 18 22 1 18 29 1 19 32 1 20 34 1 21 23 1 21 30 1 22 25 1 23 26 1 24 27 1 24 30 1 28 31 1 29 30 1 31 34 1 32 33 1 33 34 1', '34 35 H 15.39 -16.78 C 20.31 -5.94 C 14.17 -5.24 C 12.94 -10.06 C 13.22 -17.59 C 15.11 -17.59 C 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.24 O 14.17 -7.98 O 20.31 -14.43 C 17.86 -11.57 C 17.86 -15.83 C 19.10 -13.71 C 12.94 -14.43 C 16.61 -12.27 C 16.61 -16.54 C 19.10 -9.39 C 12.94 -15.83 C 14.17 -13.71 C 16.61 -7.98 O 19.10 -7.98 O 15.39 -7.32 O 15.39 -10.06 C 20.31 -7.32 C 15.39 -5.94 C 14.17 -9.39 C 17.86 -14.43 C 17.86 -10.15 C 16.61 -9.39 C 16.61 -13.71 C 14.17 -16.54 C 15.39 -15.83 C 15.39 -14.43 33 1 -2 2 25 1 3 26 1 4 27 1 32 5 -1 32 6 -2 34 7 -1 8 25 2 9 26 2 10 27 2 11 14 1 12 16 1 12 29 2 13 17 1 13 28 2 14 28 1 15 19 1 15 20 1 31 16 -1 17 33 1 18 22 1 18 29 1 19 32 1 20 34 1 21 23 1 21 30 1 22 25 1 23 26 1 24 27 1 24 30 1 28 31 1 29 30 1 31 34 1 32 33 1 33 34 1', '34 35 H 15.39 -16.78 C:20 20.31 -5.94 C:20 14.17 -5.24 C:20 12.94 -10.06 C:21 13.22 -17.59 C:32 15.11 -17.59 C:13 15.39 -12.99 O 21.54 -7.98 O 16.61 -5.24 O 14.17 -7.98 O 20.31 -14.43 C:139 17.86 -11.57 C:126 17.86 -15.83 C:63 19.10 -13.71 C:18 12.94 -14.43 C:24 16.61 -12.27 C:18 16.61 -16.54 C:64 19.10 -9.39 C:41 12.94 -15.83 C:36 14.17 -13.71 C:65 16.61 -7.98 O 19.10 -7.98 O 15.39 -7.32 O 15.39 -10.06 C:170 20.31 -7.32 C:170 15.39 -5.94 C:170 14.17 -9.39 C:137 17.86 -14.43 C:127 17.86 -10.15 C:69 16.61 -9.39 C:49 16.61 -13.71 C:36 14.17 -16.54 C:52 15.39 -15.83 C:36 15.39 -14.43 33 1 -2 2 25 1 3 26 1 4 27 1 32 5 -1 32 6 -2 34 7 -1 8 25 2 9 26 2 10 27 2 11 14 1 12 16 1 12 29 2 13 17 1 13 28 2 14 28 1 15 19 1 15 20 1 31 16 -1 17 33 1 18 22 1 18 29 1 19 32 1 20 34 1 21 23 1 21 30 1 22 25 1 23 26 1 24 27 1 24 30 1 28 31 1 29 30 1 31 34 1 32 33 1 33 34 1', 'C26H40O7', 464.282, 'C', 'tt07_8993_4', 4302, '', '', '1', 47, NULL, NULL),
(14354, '', '15,16-Epoxy-12b-methoxylabda-8(17)-13(16),14-triene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][C@@H:12](O[CH3:12001])[c:13]1[cH:14][cH:15]o[cH:16]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CCC(=C)[C@H](C[C@@H](OC)c1ccoc1)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:55]23[CH2:24][CH2:38][C:149](=[CH2:106])[C@H:53]([CH2:32][C@@H:74](O[CH3:56])[c:127]1[cH:109][cH:143]o[cH:139]1)[C@@:39]2([CH3:15])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:33]', '24 26 H 16.07 -15.45 C:17 19.75 -12.35 C:12001 20.94 -10.22 C:19 13.88 -16.25 C:18 15.79 -16.25 C:20 16.07 -11.64 C:15 19.22 -6.63 C:14 19.67 -7.96 C:16 17.39 -7.96 C:2 13.60 -13.07 C:7 18.52 -14.49 C:3 13.60 -14.49 C:1 14.84 -12.35 C:6 17.29 -15.21 C:11 17.29 -10.93 O 19.75 -10.93 O 17.82 -6.63 C:8 18.52 -13.07 C:13 18.52 -8.79 C:12 18.52 -10.22 C:9 17.29 -12.35 C:4 14.84 -15.21 C:5 16.07 -14.49 C:10 16.07 -13.07 23 1 -2 2 18 2 3 16 1 22 4 -1 22 5 -2 24 6 -1 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 12 1 10 13 1 11 14 1 11 18 1 12 22 1 13 24 1 14 23 1 15 20 1 21 15 -1 20 16 -2 18 21 1 19 20 1 21 24 1 22 23 1 23 24 1', '24 26 H 16.07 -15.45 C 19.75 -12.35 C 20.94 -10.22 C 13.88 -16.25 C 15.79 -16.25 C 16.07 -11.64 C 19.22 -6.63 C 19.67 -7.96 C 17.39 -7.96 C 13.60 -13.07 C 18.52 -14.49 C 13.60 -14.49 C 14.84 -12.35 C 17.29 -15.21 C 17.29 -10.93 O 19.75 -10.93 O 17.82 -6.63 C 18.52 -13.07 C 18.52 -8.79 C 18.52 -10.22 C 17.29 -12.35 C 14.84 -15.21 C 16.07 -14.49 C 16.07 -13.07 23 1 -2 2 18 2 3 16 1 22 4 -1 22 5 -2 24 6 -1 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 12 1 10 13 1 11 14 1 11 18 1 12 22 1 13 24 1 14 23 1 15 20 1 21 15 -1 20 16 -2 18 21 1 19 20 1 21 24 1 22 23 1 23 24 1', '24 26 H 16.07 -15.45 C:106 19.75 -12.35 C:56 20.94 -10.22 C:22 13.88 -16.25 C:33 15.79 -16.25 C:15 16.07 -11.64 C:143 19.22 -6.63 C:109 19.67 -7.96 C:139 17.39 -7.96 C:19 13.60 -13.07 C:38 18.52 -14.49 C:42 13.60 -14.49 C:39 14.84 -12.35 C:24 17.29 -15.21 C:32 17.29 -10.93 O 19.75 -10.93 O 17.82 -6.63 C:149 18.52 -13.07 C:127 18.52 -8.79 C:74 18.52 -10.22 C:53 17.29 -12.35 C:34 14.84 -15.21 C:55 16.07 -14.49 C:39 16.07 -13.07 23 1 -2 2 18 2 3 16 1 22 4 -1 22 5 -2 24 6 -1 7 8 2 7 17 1 8 19 1 9 17 1 9 19 2 10 12 1 10 13 1 11 14 1 11 18 1 12 22 1 13 24 1 14 23 1 15 20 1 21 15 -1 20 16 -2 18 21 1 19 20 1 21 24 1 22 23 1 23 24 1', 'C21H32O2', 316.231, 'C', 'tt07_8993_5', 4302, '', '', '1', 47, NULL, NULL),
(14355, 'Didehydrosalvinorin G', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C:4]([C:18](=O)O[CH3:18001])=[CH:3][C:2](=O)[C:1](O)=[C:10]1[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)C(C(=O)OC)=CC(=O)C(O)=C1[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:18][CH2:32][C@@:43]1([CH3:31])[C:159]([C:166](=O)O[CH3:53])=[CH:128][C:181](=O)[C:145](O)=[C:139]1[C@@:39]2([CH3:19])[CH2:42][C@@H:72]([c:126]3[cH:109][cH:144]o[cH:139]3)O[C:172]4=O', '29 32 H 19.20 -10.81 C:18001 14.22 -17.48 C:19 16.63 -14.65 C:20 17.91 -12.50 O 12.97 -11.16 O 16.63 -16.08 O 21.58 -11.85 O 15.43 -9.74 C:3 14.22 -13.27 C:15 19.93 -5.42 C:14 20.39 -6.73 C:16 18.11 -6.73 C:7 19.20 -13.27 C:6 17.91 -14.01 C:11 17.91 -9.74 O 14.22 -16.08 O 20.39 -9.74 O 18.56 -5.42 C:2 14.22 -11.85 C:18 15.43 -15.39 C:17 20.39 -11.16 C:1 15.43 -11.16 C:4 15.43 -14.01 C:10 16.63 -11.85 C:13 19.20 -7.56 C:12 19.20 -8.97 C:8 19.20 -11.85 C:5 16.63 -13.27 C:9 17.91 -11.16 27 1 -1 2 16 1 28 3 -2 29 4 -2 5 19 2 6 20 2 7 21 2 8 22 1 9 19 1 9 23 2 10 11 2 10 18 1 11 25 1 12 18 1 12 25 2 13 14 1 13 27 1 14 28 1 15 26 1 15 29 1 16 20 1 17 21 1 17 26 1 19 22 1 20 23 1 21 27 1 22 24 2 23 28 1 24 28 1 24 29 1 26 25 -1 27 29 1', '29 32 H 19.20 -10.81 C 14.22 -17.48 C 16.63 -14.65 C 17.91 -12.50 O 12.97 -11.16 O 16.63 -16.08 O 21.58 -11.85 O 15.43 -9.74 C 14.22 -13.27 C 19.93 -5.42 C 20.39 -6.73 C 18.11 -6.73 C 19.20 -13.27 C 17.91 -14.01 C 17.91 -9.74 O 14.22 -16.08 O 20.39 -9.74 O 18.56 -5.42 C 14.22 -11.85 C 15.43 -15.39 C 20.39 -11.16 C 15.43 -11.16 C 15.43 -14.01 C 16.63 -11.85 C 19.20 -7.56 C 19.20 -8.97 C 19.20 -11.85 C 16.63 -13.27 C 17.91 -11.16 27 1 -1 2 16 1 28 3 -2 29 4 -2 5 19 2 6 20 2 7 21 2 8 22 1 9 19 1 9 23 2 10 11 2 10 18 1 11 25 1 12 18 1 12 25 2 13 14 1 13 27 1 14 28 1 15 26 1 15 29 1 16 20 1 17 21 1 17 26 1 19 22 1 20 23 1 21 27 1 22 24 2 23 28 1 24 28 1 24 29 1 26 25 -1 27 29 1', '29 32 H 19.20 -10.81 C:53 14.22 -17.48 C:31 16.63 -14.65 C:19 17.91 -12.50 O 12.97 -11.16 O 16.63 -16.08 O 21.58 -11.85 O 15.43 -9.74 C:128 14.22 -13.27 C:144 19.93 -5.42 C:109 20.39 -6.73 C:139 18.11 -6.73 C:18 19.20 -13.27 C:32 17.91 -14.01 C:42 17.91 -9.74 O 14.22 -16.08 O 20.39 -9.74 O 18.56 -5.42 C:181 14.22 -11.85 C:166 15.43 -15.39 C:172 20.39 -11.16 C:145 15.43 -11.16 C:159 15.43 -14.01 C:139 16.63 -11.85 C:126 19.20 -7.56 C:72 19.20 -8.97 C:51 19.20 -11.85 C:43 16.63 -13.27 C:39 17.91 -11.16 27 1 -1 2 16 1 28 3 -2 29 4 -2 5 19 2 6 20 2 7 21 2 8 22 1 9 19 1 9 23 2 10 11 2 10 18 1 11 25 1 12 18 1 12 25 2 13 14 1 13 27 1 14 28 1 15 26 1 15 29 1 16 20 1 17 21 1 17 26 1 19 22 1 20 23 1 21 27 1 22 24 2 23 28 1 24 28 1 24 29 1 26 25 -1 27 29 1', 'C21H22O7', 386.228, 'C', 'ttl08_1782_4a', 3683, '', '', '1', 47, NULL, NULL),
(14356, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C:4]([C:18](=O)O[CH3:18001])=[CH:3][C:2](=O)[C:1](O)=[C:10]1[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@]24CC[C@@]1(C)C(C(=O)OC)=CC(=O)C(O)=C1[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@:45]24[CH2:22][CH2:28][C@@:42]1([CH3:30])[C:158]([C:165](=O)O[CH3:53])=[CH:128][C:181](=O)[C:145](O)=[C:140]1[C@@:38]2([CH3:24])[CH2:37][C@@H:71]([c:124]3[cH:108][cH:144]o[cH:140]3)O[C:173]4=O', '29 32 H 19.20 -10.81 C:18001 14.22 -17.48 C:19 16.63 -14.65 C:20 17.91 -12.50 O 12.97 -11.16 O 16.63 -16.08 O 21.58 -11.85 O 15.43 -9.74 C:3 14.22 -13.27 C:15 19.93 -5.42 C:14 20.39 -6.73 C:16 18.11 -6.73 C:7 19.20 -13.27 C:6 17.91 -14.01 C:11 17.91 -9.74 O 14.22 -16.08 O 20.39 -9.74 O 18.56 -5.42 C:2 14.22 -11.85 C:18 15.43 -15.39 C:17 20.39 -11.16 C:1 15.43 -11.16 C:4 15.43 -14.01 C:10 16.63 -11.85 C:13 19.20 -7.56 C:12 19.20 -8.97 C:8 19.20 -11.85 C:5 16.63 -13.27 C:9 17.91 -11.16 27 1 -2 2 16 1 28 3 -2 29 4 -2 5 19 2 6 20 2 7 21 2 8 22 1 9 19 1 9 23 2 10 11 2 10 18 1 11 25 1 12 18 1 12 25 2 13 14 1 13 27 1 14 28 1 15 26 1 15 29 1 16 20 1 17 21 1 17 26 1 19 22 1 20 23 1 21 27 1 22 24 2 23 28 1 24 28 1 24 29 1 26 25 -1 27 29 1', '29 32 H 19.20 -10.81 C 14.22 -17.48 C 16.63 -14.65 C 17.91 -12.50 O 12.97 -11.16 O 16.63 -16.08 O 21.58 -11.85 O 15.43 -9.74 C 14.22 -13.27 C 19.93 -5.42 C 20.39 -6.73 C 18.11 -6.73 C 19.20 -13.27 C 17.91 -14.01 C 17.91 -9.74 O 14.22 -16.08 O 20.39 -9.74 O 18.56 -5.42 C 14.22 -11.85 C 15.43 -15.39 C 20.39 -11.16 C 15.43 -11.16 C 15.43 -14.01 C 16.63 -11.85 C 19.20 -7.56 C 19.20 -8.97 C 19.20 -11.85 C 16.63 -13.27 C 17.91 -11.16 27 1 -2 2 16 1 28 3 -2 29 4 -2 5 19 2 6 20 2 7 21 2 8 22 1 9 19 1 9 23 2 10 11 2 10 18 1 11 25 1 12 18 1 12 25 2 13 14 1 13 27 1 14 28 1 15 26 1 15 29 1 16 20 1 17 21 1 17 26 1 19 22 1 20 23 1 21 27 1 22 24 2 23 28 1 24 28 1 24 29 1 26 25 -1 27 29 1', '29 32 H 19.20 -10.81 C:53 14.22 -17.48 C:30 16.63 -14.65 C:24 17.91 -12.50 O 12.97 -11.16 O 16.63 -16.08 O 21.58 -11.85 O 15.43 -9.74 C:128 14.22 -13.27 C:144 19.93 -5.42 C:108 20.39 -6.73 C:140 18.11 -6.73 C:22 19.20 -13.27 C:28 17.91 -14.01 C:37 17.91 -9.74 O 14.22 -16.08 O 20.39 -9.74 O 18.56 -5.42 C:181 14.22 -11.85 C:165 15.43 -15.39 C:173 20.39 -11.16 C:145 15.43 -11.16 C:158 15.43 -14.01 C:140 16.63 -11.85 C:124 19.20 -7.56 C:71 19.20 -8.97 C:45 19.20 -11.85 C:42 16.63 -13.27 C:38 17.91 -11.16 27 1 -2 2 16 1 28 3 -2 29 4 -2 5 19 2 6 20 2 7 21 2 8 22 1 9 19 1 9 23 2 10 11 2 10 18 1 11 25 1 12 18 1 12 25 2 13 14 1 13 27 1 14 28 1 15 26 1 15 29 1 16 20 1 17 21 1 17 26 1 19 22 1 20 23 1 21 27 1 22 24 2 23 28 1 24 28 1 24 29 1 26 25 -1 27 29 1', 'C21H22O7', 386.228, 'C', 'ttl08_1782_4b', 3683, '', '', '1', 47, NULL, NULL),
(14357, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O[CH3:18001])[CH2:3][C@H:2](O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C(=O)OC)C[C@H](O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:18][CH2:38][C@@:43]1([CH3:17])[C@H:53]([C:172](=O)O[CH3:52])[CH2:35][C@H:74](O)[C:209](=O)[C@:64]1([H])[C@@:35]2([CH3:15])[CH2:44][C@@H:72]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:171]4=O', '30 33 H 19.19 -10.81 H 16.60 -10.81 C:18001 14.17 -17.51 C:19 16.60 -14.65 C:20 17.89 -12.47 O 16.60 -16.10 O 21.60 -11.81 O 15.39 -9.69 O 12.90 -11.12 C:15 19.93 -5.32 C:14 20.39 -6.64 C:16 18.09 -6.64 C:7 19.19 -13.25 C:6 17.89 -14.00 C:3 14.17 -13.25 C:11 17.89 -9.69 O 14.17 -16.10 O 20.39 -9.69 O 18.54 -5.32 C:18 15.39 -15.40 C:17 20.39 -11.12 C:1 15.39 -11.12 C:13 19.19 -7.47 C:2 14.17 -11.81 C:12 19.19 -8.92 C:4 15.39 -14.00 C:8 19.19 -11.81 C:5 16.60 -13.25 C:9 17.89 -11.12 C:10 16.60 -11.81 27 1 -1 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', '30 33 H 19.19 -10.81 H 16.60 -10.81 C 14.17 -17.51 C 16.60 -14.65 C 17.89 -12.47 O 16.60 -16.10 O 21.60 -11.81 O 15.39 -9.69 O 12.90 -11.12 C 19.93 -5.32 C 20.39 -6.64 C 18.09 -6.64 C 19.19 -13.25 C 17.89 -14.00 C 14.17 -13.25 C 17.89 -9.69 O 14.17 -16.10 O 20.39 -9.69 O 18.54 -5.32 C 15.39 -15.40 C 20.39 -11.12 C 15.39 -11.12 C 19.19 -7.47 C 14.17 -11.81 C 19.19 -8.92 C 15.39 -14.00 C 19.19 -11.81 C 16.60 -13.25 C 17.89 -11.12 C 16.60 -11.81 27 1 -1 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', '30 33 H 19.19 -10.81 H 16.60 -10.81 C:52 14.17 -17.51 C:17 16.60 -14.65 C:15 17.89 -12.47 O 16.60 -16.10 O 21.60 -11.81 O 15.39 -9.69 O 12.90 -11.12 C:144 19.93 -5.32 C:108 20.39 -6.64 C:139 18.09 -6.64 C:18 19.19 -13.25 C:38 17.89 -14.00 C:35 14.17 -13.25 C:44 17.89 -9.69 O 14.17 -16.10 O 20.39 -9.69 O 18.54 -5.32 C:172 15.39 -15.40 C:171 20.39 -11.12 C:209 15.39 -11.12 C:125 19.19 -7.47 C:74 14.17 -11.81 C:72 19.19 -8.92 C:53 15.39 -14.00 C:51 19.19 -11.81 C:43 16.60 -13.25 C:35 17.89 -11.12 C:64 16.60 -11.81 27 1 -1 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', 'C21H26O7', 390.236, 'C', 'ttl08_1782_6a', 3683, '', '', '1', 47, NULL, NULL),
(14358, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O[CH3:18001])[CH2:3][C@H:2](O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@]24CC[C@@]1(C)[C@H](C(=O)OC)C[C@H](O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@:45]24[CH2:18][CH2:34][C@@:43]1([CH3:15])[C@H:52]([C:172](=O)O[CH3:52])[CH2:34][C@H:74](O)[C:209](=O)[C@:64]1([H])[C@@:35]2([CH3:25])[CH2:48][C@@H:70]([c:124]3[cH:108][cH:144]o[cH:140]3)O[C:173]4=O', '30 33 H 19.19 -10.81 H 16.60 -10.81 C:18001 14.17 -17.51 C:19 16.60 -14.65 C:20 17.89 -12.47 O 16.60 -16.10 O 21.60 -11.80 O 15.39 -9.69 O 12.90 -11.11 C:15 19.93 -5.32 C:14 20.39 -6.64 C:16 18.09 -6.64 C:7 19.19 -13.25 C:6 17.89 -14.00 C:3 14.17 -13.25 C:11 17.89 -9.69 O 14.17 -16.10 O 20.39 -9.69 O 18.54 -5.32 C:18 15.39 -15.40 C:17 20.39 -11.11 C:1 15.39 -11.11 C:13 19.19 -7.47 C:2 14.17 -11.80 C:12 19.19 -8.92 C:4 15.39 -14.00 C:8 19.19 -11.80 C:5 16.60 -13.25 C:9 17.89 -11.11 C:10 16.60 -11.80 27 1 -2 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', '30 33 H 19.19 -10.81 H 16.60 -10.81 C 14.17 -17.51 C 16.60 -14.65 C 17.89 -12.47 O 16.60 -16.10 O 21.60 -11.80 O 15.39 -9.69 O 12.90 -11.11 C 19.93 -5.32 C 20.39 -6.64 C 18.09 -6.64 C 19.19 -13.25 C 17.89 -14.00 C 14.17 -13.25 C 17.89 -9.69 O 14.17 -16.10 O 20.39 -9.69 O 18.54 -5.32 C 15.39 -15.40 C 20.39 -11.11 C 15.39 -11.11 C 19.19 -7.47 C 14.17 -11.80 C 19.19 -8.92 C 15.39 -14.00 C 19.19 -11.80 C 16.60 -13.25 C 17.89 -11.11 C 16.60 -11.80 27 1 -2 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', '30 33 H 19.19 -10.81 H 16.60 -10.81 C:52 14.17 -17.51 C:15 16.60 -14.65 C:25 17.89 -12.47 O 16.60 -16.10 O 21.60 -11.80 O 15.39 -9.69 O 12.90 -11.11 C:144 19.93 -5.32 C:108 20.39 -6.64 C:140 18.09 -6.64 C:18 19.19 -13.25 C:34 17.89 -14.00 C:34 14.17 -13.25 C:48 17.89 -9.69 O 14.17 -16.10 O 20.39 -9.69 O 18.54 -5.32 C:172 15.39 -15.40 C:173 20.39 -11.11 C:209 15.39 -11.11 C:124 19.19 -7.47 C:74 14.17 -11.80 C:70 19.19 -8.92 C:52 15.39 -14.00 C:45 19.19 -11.80 C:43 16.60 -13.25 C:35 17.89 -11.11 C:64 16.60 -11.80 27 1 -2 30 2 -1 3 17 1 28 4 -2 29 5 -2 6 20 2 7 21 2 8 22 2 24 9 -2 10 11 2 10 19 1 11 23 1 12 19 1 12 23 2 13 14 1 13 27 1 14 28 1 15 24 1 15 26 1 16 25 1 16 29 1 17 20 1 18 21 1 18 25 1 26 20 -2 21 27 1 22 24 1 22 30 1 25 23 -1 26 28 1 27 29 1 28 30 1 29 30 1', 'C21H26O7', 390.236, 'C', 'ttl08_1782_6b', 3683, '', '', '1', 47, NULL, NULL),
(14359, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C(=O)O)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:18][CH2:38][C@@:42]1([CH3:16])[C@H:53]([C:176](=O)O)[CH2:31][C@H:75](O[C:170]([CH3:21])=O)[C:202](=O)[C@:64]1([H])[C@@:35]2([CH3:15])[CH2:43][C@@H:72]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:171]4=O', '32 35 H 19.79 -11.50 H 17.19 -11.50 C:2002 12.23 -9.73 C:19 17.19 -15.33 C:20 18.48 -13.17 O 14.65 -9.73 O 17.19 -16.80 O 22.22 -12.51 O 15.98 -10.42 O 14.74 -16.80 C:15 20.53 -6.01 C:14 21.00 -7.33 C:16 18.68 -7.33 C:7 19.79 -13.93 C:6 18.48 -14.68 C:3 14.74 -13.93 C:11 18.48 -10.42 O 13.48 -11.82 O 21.00 -10.42 O 19.14 -6.01 C:2001 13.48 -10.42 C:18 15.98 -16.08 C:17 21.00 -11.82 C:1 15.98 -11.82 C:13 19.79 -8.16 C:2 14.74 -12.51 C:12 19.79 -9.60 C:4 15.98 -14.68 C:8 19.79 -12.51 C:5 17.19 -13.93 C:9 18.48 -11.82 C:10 17.19 -12.51 29 1 -1 32 2 -1 3 21 1 30 4 -2 31 5 -2 6 21 2 7 22 2 8 23 2 9 24 2 10 22 1 11 12 2 11 20 1 12 25 1 13 20 1 13 25 2 14 15 1 14 29 1 15 30 1 16 26 1 16 28 1 17 27 1 17 31 1 18 21 1 26 18 -2 19 23 1 19 27 1 28 22 -2 23 29 1 24 26 1 24 32 1 27 25 -1 28 30 1 29 31 1 30 32 1 31 32 1', '32 35 H 19.79 -11.50 H 17.19 -11.50 C 12.23 -9.73 C 17.19 -15.33 C 18.48 -13.17 O 14.65 -9.73 O 17.19 -16.80 O 22.22 -12.51 O 15.98 -10.42 O 14.74 -16.80 C 20.53 -6.01 C 21.00 -7.33 C 18.68 -7.33 C 19.79 -13.93 C 18.48 -14.68 C 14.74 -13.93 C 18.48 -10.42 O 13.48 -11.82 O 21.00 -10.42 O 19.14 -6.01 C 13.48 -10.42 C 15.98 -16.08 C 21.00 -11.82 C 15.98 -11.82 C 19.79 -8.16 C 14.74 -12.51 C 19.79 -9.60 C 15.98 -14.68 C 19.79 -12.51 C 17.19 -13.93 C 18.48 -11.82 C 17.19 -12.51 29 1 -1 32 2 -1 3 21 1 30 4 -2 31 5 -2 6 21 2 7 22 2 8 23 2 9 24 2 10 22 1 11 12 2 11 20 1 12 25 1 13 20 1 13 25 2 14 15 1 14 29 1 15 30 1 16 26 1 16 28 1 17 27 1 17 31 1 18 21 1 26 18 -2 19 23 1 19 27 1 28 22 -2 23 29 1 24 26 1 24 32 1 27 25 -1 28 30 1 29 31 1 30 32 1 31 32 1', '32 35 H 19.79 -11.50 H 17.19 -11.50 C:21 12.23 -9.73 C:16 17.19 -15.33 C:15 18.48 -13.17 O 14.65 -9.73 O 17.19 -16.80 O 22.22 -12.51 O 15.98 -10.42 O 14.74 -16.80 C:144 20.53 -6.01 C:108 21.00 -7.33 C:139 18.68 -7.33 C:18 19.79 -13.93 C:38 18.48 -14.68 C:31 14.74 -13.93 C:43 18.48 -10.42 O 13.48 -11.82 O 21.00 -10.42 O 19.14 -6.01 C:170 13.48 -10.42 C:176 15.98 -16.08 C:171 21.00 -11.82 C:202 15.98 -11.82 C:125 19.79 -8.16 C:75 14.74 -12.51 C:72 19.79 -9.60 C:53 15.98 -14.68 C:51 19.79 -12.51 C:42 17.19 -13.93 C:35 18.48 -11.82 C:64 17.19 -12.51 29 1 -1 32 2 -1 3 21 1 30 4 -2 31 5 -2 6 21 2 7 22 2 8 23 2 9 24 2 10 22 1 11 12 2 11 20 1 12 25 1 13 20 1 13 25 2 14 15 1 14 29 1 15 30 1 16 26 1 16 28 1 17 27 1 17 31 1 18 21 1 26 18 -2 19 23 1 19 27 1 28 22 -2 23 29 1 24 26 1 24 32 1 27 25 -1 28 30 1 29 31 1 30 32 1 31 32 1', 'C22H26O8', 418.246, 'C', 'ttl08_1782_7a', 3683, '', '', '1', 47, 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
(14360, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([C:18](=O)O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@]24CC[C@@]1(C)[C@H](C(=O)O)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@:45]24[CH2:18][CH2:34][C@@:42]1([CH3:15])[C@H:53]([C:176](=O)O)[CH2:31][C@H:75](O[C:170]([CH3:21])=O)[C:202](=O)[C@:64]1([H])[C@@:35]2([CH3:25])[CH2:48][C@@H:70]([c:123]3[cH:109][cH:144]o[cH:140]3)O[C:174]4=O', '32 35 H 19.79 -11.50 H 17.19 -11.50 C:2002 12.23 -9.73 C:19 17.19 -15.33 C:20 18.48 -13.17 O 14.65 -9.73 O 17.19 -16.80 O 22.22 -12.51 O 15.98 -10.42 O 14.74 -16.80 C:15 20.53 -6.01 C:14 21.00 -7.33 C:16 18.68 -7.33 C:7 19.79 -13.93 C:6 18.48 -14.68 C:3 14.74 -13.93 C:11 18.48 -10.42 O 13.48 -11.82 O 21.00 -10.42 O 19.14 -6.01 C:2001 13.48 -10.42 C:18 15.98 -16.08 C:17 21.00 -11.82 C:1 15.98 -11.82 C:13 19.79 -8.16 C:2 14.74 -12.51 C:12 19.79 -9.60 C:4 15.98 -14.68 C:8 19.79 -12.51 C:5 17.19 -13.93 C:9 18.48 -11.82 C:10 17.19 -12.51 29 1 -2 32 2 -1 3 21 1 30 4 -2 31 5 -2 6 21 2 7 22 2 8 23 2 9 24 2 10 22 1 11 12 2 11 20 1 12 25 1 13 20 1 13 25 2 14 15 1 14 29 1 15 30 1 16 26 1 16 28 1 17 27 1 17 31 1 18 21 1 26 18 -2 19 23 1 19 27 1 28 22 -2 23 29 1 24 26 1 24 32 1 27 25 -1 28 30 1 29 31 1 30 32 1 31 32 1', '32 35 H 19.79 -11.50 H 17.19 -11.50 C 12.23 -9.73 C 17.19 -15.33 C 18.48 -13.17 O 14.65 -9.73 O 17.19 -16.80 O 22.22 -12.51 O 15.98 -10.42 O 14.74 -16.80 C 20.53 -6.01 C 21.00 -7.33 C 18.68 -7.33 C 19.79 -13.93 C 18.48 -14.68 C 14.74 -13.93 C 18.48 -10.42 O 13.48 -11.82 O 21.00 -10.42 O 19.14 -6.01 C 13.48 -10.42 C 15.98 -16.08 C 21.00 -11.82 C 15.98 -11.82 C 19.79 -8.16 C 14.74 -12.51 C 19.79 -9.60 C 15.98 -14.68 C 19.79 -12.51 C 17.19 -13.93 C 18.48 -11.82 C 17.19 -12.51 29 1 -2 32 2 -1 3 21 1 30 4 -2 31 5 -2 6 21 2 7 22 2 8 23 2 9 24 2 10 22 1 11 12 2 11 20 1 12 25 1 13 20 1 13 25 2 14 15 1 14 29 1 15 30 1 16 26 1 16 28 1 17 27 1 17 31 1 18 21 1 26 18 -2 19 23 1 19 27 1 28 22 -2 23 29 1 24 26 1 24 32 1 27 25 -1 28 30 1 29 31 1 30 32 1 31 32 1', '32 35 H 19.79 -11.50 H 17.19 -11.50 C:21 12.23 -9.73 C:15 17.19 -15.33 C:25 18.48 -13.17 O 14.65 -9.73 O 17.19 -16.80 O 22.22 -12.51 O 15.98 -10.42 O 14.74 -16.80 C:144 20.53 -6.01 C:109 21.00 -7.33 C:140 18.68 -7.33 C:18 19.79 -13.93 C:34 18.48 -14.68 C:31 14.74 -13.93 C:48 18.48 -10.42 O 13.48 -11.82 O 21.00 -10.42 O 19.14 -6.01 C:170 13.48 -10.42 C:176 15.98 -16.08 C:174 21.00 -11.82 C:202 15.98 -11.82 C:123 19.79 -8.16 C:75 14.74 -12.51 C:70 19.79 -9.60 C:53 15.98 -14.68 C:45 19.79 -12.51 C:42 17.19 -13.93 C:35 18.48 -11.82 C:64 17.19 -12.51 29 1 -2 32 2 -1 3 21 1 30 4 -2 31 5 -2 6 21 2 7 22 2 8 23 2 9 24 2 10 22 1 11 12 2 11 20 1 12 25 1 13 20 1 13 25 2 14 15 1 14 29 1 15 30 1 16 26 1 16 28 1 17 27 1 17 31 1 18 21 1 26 18 -2 19 23 1 19 27 1 28 22 -2 23 29 1 24 26 1 24 32 1 27 25 -1 28 30 1 29 31 1 30 32 1 31 32 1', 'C22H26O8', 418.246, 'C', 'ttl08_1782_7b', 3683, '', '', '1', 47, NULL, NULL),
(14361, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([CH2:18]O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](CO)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:18][CH2:38][C@@:42]1([CH3:17])[C@H:51]([CH2:62]O)[CH2:32][C@H:76](O[C:170]([CH3:21])=O)[C:204](=O)[C@:64]1([H])[C@@:35]2([CH3:15])[CH2:43][C@@H:72]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:171]4=O', '31 34 H 19.82 -11.52 H 17.22 -11.52 C:2002 12.25 -9.74 C:19 17.22 -15.35 C:20 18.51 -13.19 O 14.67 -9.74 O 22.25 -12.53 O 16.00 -10.43 O 14.78 -16.81 C:15 20.56 -6.02 C:14 21.03 -7.34 C:16 18.71 -7.34 C:18 16.00 -16.10 C:7 19.82 -13.95 C:6 18.51 -14.70 C:3 14.78 -13.95 C:11 18.51 -10.43 O 13.50 -11.84 O 21.03 -10.43 O 19.17 -6.02 C:2001 13.50 -10.43 C:17 21.03 -11.84 C:1 16.00 -11.84 C:13 19.82 -8.17 C:2 14.78 -12.53 C:4 16.00 -14.70 C:12 19.82 -9.61 C:8 19.82 -12.53 C:5 17.22 -13.95 C:9 18.51 -11.84 C:10 17.22 -12.53 28 1 -1 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 21 2 7 22 2 8 23 2 9 13 1 10 11 2 10 20 1 11 24 1 12 20 1 12 24 2 26 13 -2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 25 18 -2 19 22 1 19 27 1 22 28 1 23 25 1 23 31 1 27 24 -1 26 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.82 -11.52 H 17.22 -11.52 C 12.25 -9.74 C 17.22 -15.35 C 18.51 -13.19 O 14.67 -9.74 O 22.25 -12.53 O 16.00 -10.43 O 14.78 -16.81 C 20.56 -6.02 C 21.03 -7.34 C 18.71 -7.34 C 16.00 -16.10 C 19.82 -13.95 C 18.51 -14.70 C 14.78 -13.95 C 18.51 -10.43 O 13.50 -11.84 O 21.03 -10.43 O 19.17 -6.02 C 13.50 -10.43 C 21.03 -11.84 C 16.00 -11.84 C 19.82 -8.17 C 14.78 -12.53 C 16.00 -14.70 C 19.82 -9.61 C 19.82 -12.53 C 17.22 -13.95 C 18.51 -11.84 C 17.22 -12.53 28 1 -1 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 21 2 7 22 2 8 23 2 9 13 1 10 11 2 10 20 1 11 24 1 12 20 1 12 24 2 26 13 -2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 25 18 -2 19 22 1 19 27 1 22 28 1 23 25 1 23 31 1 27 24 -1 26 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.82 -11.52 H 17.22 -11.52 C:21 12.25 -9.74 C:17 17.22 -15.35 C:15 18.51 -13.19 O 14.67 -9.74 O 22.25 -12.53 O 16.00 -10.43 O 14.78 -16.81 C:144 20.56 -6.02 C:108 21.03 -7.34 C:139 18.71 -7.34 C:62 16.00 -16.10 C:18 19.82 -13.95 C:38 18.51 -14.70 C:32 14.78 -13.95 C:43 18.51 -10.43 O 13.50 -11.84 O 21.03 -10.43 O 19.17 -6.02 C:170 13.50 -10.43 C:171 21.03 -11.84 C:204 16.00 -11.84 C:125 19.82 -8.17 C:76 14.78 -12.53 C:51 16.00 -14.70 C:72 19.82 -9.61 C:51 19.82 -12.53 C:42 17.22 -13.95 C:35 18.51 -11.84 C:64 17.22 -12.53 28 1 -1 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 21 2 7 22 2 8 23 2 9 13 1 10 11 2 10 20 1 11 24 1 12 20 1 12 24 2 26 13 -2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 25 18 -2 19 22 1 19 27 1 22 28 1 23 25 1 23 31 1 27 24 -1 26 29 1 28 30 1 29 31 1 30 31 1', 'C22H28O7', 404.247, 'C', 'ttl08_1782_8a', 3683, '', '', '1', 47, NULL, NULL),
(14362, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([CH2:18]O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@]24CC[C@@]1(C)[C@H](CO)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@:45]24[CH2:18][CH2:34][C@@:42]1([CH3:16])[C@H:50]([CH2:62]O)[CH2:32][C@H:76](O[C:170]([CH3:21])=O)[C:204](=O)[C@:65]1([H])[C@@:35]2([CH3:25])[CH2:48][C@@H:70]([c:123]3[cH:109][cH:144]o[cH:140]3)O[C:174]4=O', '31 34 H 19.82 -11.53 H 17.22 -11.53 C:2002 12.26 -9.75 C:19 17.22 -15.35 C:20 18.51 -13.19 O 14.67 -9.75 O 22.25 -12.54 O 16.00 -10.44 O 14.78 -16.81 C:15 20.56 -6.02 C:14 21.03 -7.34 C:16 18.71 -7.34 C:18 16.00 -16.10 C:7 19.82 -13.95 C:6 18.51 -14.70 C:3 14.78 -13.95 C:11 18.51 -10.44 O 13.50 -11.85 O 21.03 -10.44 O 19.17 -6.02 C:2001 13.50 -10.44 C:17 21.03 -11.85 C:1 16.00 -11.85 C:13 19.82 -8.18 C:2 14.78 -12.54 C:4 16.00 -14.70 C:12 19.82 -9.62 C:8 19.82 -12.54 C:5 17.22 -13.95 C:9 18.51 -11.85 C:10 17.22 -12.54 28 1 -2 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 21 2 7 22 2 8 23 2 9 13 1 10 11 2 10 20 1 11 24 1 12 20 1 12 24 2 26 13 -2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 25 18 -2 19 22 1 19 27 1 22 28 1 23 25 1 23 31 1 27 24 -1 26 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.82 -11.53 H 17.22 -11.53 C 12.26 -9.75 C 17.22 -15.35 C 18.51 -13.19 O 14.67 -9.75 O 22.25 -12.54 O 16.00 -10.44 O 14.78 -16.81 C 20.56 -6.02 C 21.03 -7.34 C 18.71 -7.34 C 16.00 -16.10 C 19.82 -13.95 C 18.51 -14.70 C 14.78 -13.95 C 18.51 -10.44 O 13.50 -11.85 O 21.03 -10.44 O 19.17 -6.02 C 13.50 -10.44 C 21.03 -11.85 C 16.00 -11.85 C 19.82 -8.18 C 14.78 -12.54 C 16.00 -14.70 C 19.82 -9.62 C 19.82 -12.54 C 17.22 -13.95 C 18.51 -11.85 C 17.22 -12.54 28 1 -2 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 21 2 7 22 2 8 23 2 9 13 1 10 11 2 10 20 1 11 24 1 12 20 1 12 24 2 26 13 -2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 25 18 -2 19 22 1 19 27 1 22 28 1 23 25 1 23 31 1 27 24 -1 26 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.82 -11.53 H 17.22 -11.53 C:21 12.26 -9.75 C:16 17.22 -15.35 C:25 18.51 -13.19 O 14.67 -9.75 O 22.25 -12.54 O 16.00 -10.44 O 14.78 -16.81 C:144 20.56 -6.02 C:109 21.03 -7.34 C:140 18.71 -7.34 C:62 16.00 -16.10 C:18 19.82 -13.95 C:34 18.51 -14.70 C:32 14.78 -13.95 C:48 18.51 -10.44 O 13.50 -11.85 O 21.03 -10.44 O 19.17 -6.02 C:170 13.50 -10.44 C:174 21.03 -11.85 C:204 16.00 -11.85 C:123 19.82 -8.18 C:76 14.78 -12.54 C:50 16.00 -14.70 C:70 19.82 -9.62 C:45 19.82 -12.54 C:42 17.22 -13.95 C:35 18.51 -11.85 C:65 17.22 -12.54 28 1 -2 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 21 2 7 22 2 8 23 2 9 13 1 10 11 2 10 20 1 11 24 1 12 20 1 12 24 2 26 13 -2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 25 18 -2 19 22 1 19 27 1 22 28 1 23 25 1 23 31 1 27 24 -1 26 29 1 28 30 1 29 31 1 30 31 1', 'C22H28O7', 404.247, 'C', 'ttl08_1782_8b', 3683, '', '', '1', 47, NULL, NULL),
(14363, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([CH:18]=O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@@]24CC[C@@]1(C)[C@H](C=O)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@@:51]24[CH2:18][CH2:38][C@@:43]1([CH3:18])[C@H:60]([CH:201]=O)[CH2:28][C@H:75](O[C:170]([CH3:21])=O)[C:202](=O)[C@:64]1([H])[C@@:35]2([CH3:15])[CH2:43][C@@H:72]([c:125]3[cH:108][cH:144]o[cH:139]3)O[C:171]4=O', '31 34 H 19.82 -11.52 H 17.22 -11.52 C:2002 12.25 -9.74 C:19 17.22 -15.35 C:20 18.51 -13.19 O 14.78 -16.81 O 14.67 -9.74 O 22.25 -12.53 O 16.00 -10.43 C:18 16.00 -16.10 C:15 20.56 -6.02 C:14 21.03 -7.34 C:16 18.71 -7.34 C:7 19.82 -13.95 C:6 18.51 -14.70 C:3 14.78 -13.95 C:11 18.51 -10.43 O 13.50 -11.84 O 21.03 -10.43 O 19.17 -6.02 C:2001 13.50 -10.43 C:17 21.03 -11.84 C:1 16.00 -11.84 C:13 19.82 -8.17 C:4 16.00 -14.70 C:2 14.78 -12.53 C:12 19.82 -9.61 C:8 19.82 -12.53 C:5 17.22 -13.95 C:9 18.51 -11.84 C:10 17.22 -12.53 28 1 -1 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 10 2 7 21 2 8 22 2 9 23 2 25 10 -2 11 12 2 11 20 1 12 24 1 13 20 1 13 24 2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 26 18 -2 19 22 1 19 27 1 22 28 1 23 26 1 23 31 1 27 24 -1 25 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.82 -11.52 H 17.22 -11.52 C 12.25 -9.74 C 17.22 -15.35 C 18.51 -13.19 O 14.78 -16.81 O 14.67 -9.74 O 22.25 -12.53 O 16.00 -10.43 C 16.00 -16.10 C 20.56 -6.02 C 21.03 -7.34 C 18.71 -7.34 C 19.82 -13.95 C 18.51 -14.70 C 14.78 -13.95 C 18.51 -10.43 O 13.50 -11.84 O 21.03 -10.43 O 19.17 -6.02 C 13.50 -10.43 C 21.03 -11.84 C 16.00 -11.84 C 19.82 -8.17 C 16.00 -14.70 C 14.78 -12.53 C 19.82 -9.61 C 19.82 -12.53 C 17.22 -13.95 C 18.51 -11.84 C 17.22 -12.53 28 1 -1 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 10 2 7 21 2 8 22 2 9 23 2 25 10 -2 11 12 2 11 20 1 12 24 1 13 20 1 13 24 2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 26 18 -2 19 22 1 19 27 1 22 28 1 23 26 1 23 31 1 27 24 -1 25 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.82 -11.52 H 17.22 -11.52 C:21 12.25 -9.74 C:18 17.22 -15.35 C:15 18.51 -13.19 O 14.78 -16.81 O 14.67 -9.74 O 22.25 -12.53 O 16.00 -10.43 C:201 16.00 -16.10 C:144 20.56 -6.02 C:108 21.03 -7.34 C:139 18.71 -7.34 C:18 19.82 -13.95 C:38 18.51 -14.70 C:28 14.78 -13.95 C:43 18.51 -10.43 O 13.50 -11.84 O 21.03 -10.43 O 19.17 -6.02 C:170 13.50 -10.43 C:171 21.03 -11.84 C:202 16.00 -11.84 C:125 19.82 -8.17 C:60 16.00 -14.70 C:75 14.78 -12.53 C:72 19.82 -9.61 C:51 19.82 -12.53 C:43 17.22 -13.95 C:35 18.51 -11.84 C:64 17.22 -12.53 28 1 -1 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 10 2 7 21 2 8 22 2 9 23 2 25 10 -2 11 12 2 11 20 1 12 24 1 13 20 1 13 24 2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 26 18 -2 19 22 1 19 27 1 22 28 1 23 26 1 23 31 1 27 24 -1 25 29 1 28 30 1 29 31 1 30 31 1', 'C22H26O7', 402.247, 'C', 'ttl08_1782_9a', 3683, '', '', '1', 47, NULL, NULL),
(14364, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:8]24[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@H:4]([CH:18]=O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C:1](=O)[C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][C@@H:12]([c:13]3[cH:14][cH:15]o[cH:16]3)O[C:17]4=O', '[H][C@]24CC[C@@]1(C)[C@H](C=O)C[C@H](OC(C)=O)C(=O)[C@]1([H])[C@@]2(C)C[C@@H](c3ccoc3)OC4=O', '[H][C@:45]24[CH2:17][CH2:34][C@@:43]1([CH3:17])[C@H:59]([CH:201]=O)[CH2:28][C@H:76](O[C:170]([CH3:21])=O)[C:203](=O)[C@:64]1([H])[C@@:35]2([CH3:24])[CH2:48][C@@H:70]([c:123]3[cH:109][cH:144]o[cH:140]3)O[C:174]4=O', '31 34 H 19.83 -11.53 H 17.23 -11.53 C:2002 12.26 -9.75 C:19 17.23 -15.36 C:20 18.52 -13.20 O 14.79 -16.82 O 14.68 -9.75 O 22.26 -12.54 O 16.01 -10.44 C:18 16.01 -16.11 C:15 20.57 -6.02 C:14 21.04 -7.34 C:16 18.72 -7.34 C:7 19.83 -13.96 C:6 18.52 -14.71 C:3 14.79 -13.96 C:11 18.52 -10.44 O 13.51 -11.85 O 21.04 -10.44 O 19.18 -6.02 C:2001 13.51 -10.44 C:17 21.04 -11.85 C:1 16.01 -11.85 C:13 19.83 -8.18 C:4 16.01 -14.71 C:2 14.79 -12.54 C:12 19.83 -9.62 C:8 19.83 -12.54 C:5 17.23 -13.96 C:9 18.52 -11.85 C:10 17.23 -12.54 28 1 -2 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 10 2 7 21 2 8 22 2 9 23 2 25 10 -2 11 12 2 11 20 1 12 24 1 13 20 1 13 24 2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 26 18 -2 19 22 1 19 27 1 22 28 1 23 26 1 23 31 1 27 24 -1 25 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.83 -11.53 H 17.23 -11.53 C 12.26 -9.75 C 17.23 -15.36 C 18.52 -13.20 O 14.79 -16.82 O 14.68 -9.75 O 22.26 -12.54 O 16.01 -10.44 C 16.01 -16.11 C 20.57 -6.02 C 21.04 -7.34 C 18.72 -7.34 C 19.83 -13.96 C 18.52 -14.71 C 14.79 -13.96 C 18.52 -10.44 O 13.51 -11.85 O 21.04 -10.44 O 19.18 -6.02 C 13.51 -10.44 C 21.04 -11.85 C 16.01 -11.85 C 19.83 -8.18 C 16.01 -14.71 C 14.79 -12.54 C 19.83 -9.62 C 19.83 -12.54 C 17.23 -13.96 C 18.52 -11.85 C 17.23 -12.54 28 1 -2 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 10 2 7 21 2 8 22 2 9 23 2 25 10 -2 11 12 2 11 20 1 12 24 1 13 20 1 13 24 2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 26 18 -2 19 22 1 19 27 1 22 28 1 23 26 1 23 31 1 27 24 -1 25 29 1 28 30 1 29 31 1 30 31 1', '31 34 H 19.83 -11.53 H 17.23 -11.53 C:21 12.26 -9.75 C:17 17.23 -15.36 C:24 18.52 -13.20 O 14.79 -16.82 O 14.68 -9.75 O 22.26 -12.54 O 16.01 -10.44 C:201 16.01 -16.11 C:144 20.57 -6.02 C:109 21.04 -7.34 C:140 18.72 -7.34 C:17 19.83 -13.96 C:34 18.52 -14.71 C:28 14.79 -13.96 C:48 18.52 -10.44 O 13.51 -11.85 O 21.04 -10.44 O 19.18 -6.02 C:170 13.51 -10.44 C:174 21.04 -11.85 C:203 16.01 -11.85 C:123 19.83 -8.18 C:59 16.01 -14.71 C:76 14.79 -12.54 C:70 19.83 -9.62 C:45 19.83 -12.54 C:43 17.23 -13.96 C:35 18.52 -11.85 C:64 17.23 -12.54 28 1 -2 31 2 -1 3 21 1 29 4 -2 30 5 -2 6 10 2 7 21 2 8 22 2 9 23 2 25 10 -2 11 12 2 11 20 1 12 24 1 13 20 1 13 24 2 14 15 1 14 28 1 15 29 1 16 25 1 16 26 1 17 27 1 17 30 1 18 21 1 26 18 -2 19 22 1 19 27 1 22 28 1 23 26 1 23 31 1 27 24 -1 25 29 1 28 30 1 29 31 1 30 31 1', 'C22H26O7', 402.247, 'C', 'ttl08_1782_9b', 3683, '', '', '1', 47, NULL, NULL),
(14365, '3β-Hydroxyballotinone', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:6]14O[C:19](=O)[C@@:4]2([CH3:18])[C@@H:3](O)[CH2:2][CH2:1][C@@:10]([CH3:20])([C@@:5]12[H])[C@@:9](O)([CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3)[C@H:8]([CH3:17])[C:7]4=O', '[H][C@]14OC(=O)[C@@]2(C)[C@@H](O)CC[C@@](C)([C@@]12[H])[C@@](O)(CCc3ccoc3)[C@H](C)C4=O', '[H][C@:76]14O[C:180](=O)[C@@:44]2([CH3:23])[C@@H:74](O)[CH2:28][CH2:28][C@@:41]([CH3:18])([C@@:46]12[H])[C@@:77](O)([CH2:38][CH2:18][c:124]3[cH:111][cH:143]o[cH:139]3)[C@H:52]([CH3:16])[C:208]4=O', '28 31 H 19.39 -15.18 H 17.23 -14.71 C:17 20.92 -11.62 C:20 17.23 -10.90 C:18 15.05 -15.51 O 15.69 -16.94 O 20.92 -14.48 O 13.58 -14.48 O 19.71 -10.90 C:15 20.40 -5.90 C:14 20.86 -7.24 C:16 18.57 -7.24 C:12 19.71 -9.48 C:2 14.78 -12.33 C:1 15.98 -11.62 C:11 18.47 -10.20 O 18.15 -15.83 O 19.01 -5.90 C:19 16.54 -15.83 C:7 19.71 -13.77 C:13 19.71 -8.07 C:8 19.71 -12.33 C:3 14.78 -13.77 C:6 18.47 -14.48 C:10 17.23 -12.33 C:4 15.98 -14.48 C:5 17.23 -13.77 C:9 18.47 -11.62 24 1 -2 27 2 -2 22 3 -2 25 4 -1 26 5 -2 6 19 2 7 20 2 23 8 -1 28 9 -2 10 11 2 10 18 1 11 21 1 12 18 1 12 21 2 13 16 1 13 21 1 14 15 1 14 23 1 15 25 1 28 16 -1 17 19 1 17 24 1 19 26 1 20 22 1 20 24 1 22 28 1 23 26 1 24 27 1 25 27 1 25 28 1 26 27 1', '28 31 H 19.39 -15.18 H 17.23 -14.71 C 20.92 -11.62 C 17.23 -10.90 C 15.05 -15.51 O 15.69 -16.94 O 20.92 -14.48 O 13.58 -14.48 O 19.71 -10.90 C 20.40 -5.90 C 20.86 -7.24 C 18.57 -7.24 C 19.71 -9.48 C 14.78 -12.33 C 15.98 -11.62 C 18.47 -10.20 O 18.15 -15.83 O 19.01 -5.90 C 16.54 -15.83 C 19.71 -13.77 C 19.71 -8.07 C 19.71 -12.33 C 14.78 -13.77 C 18.47 -14.48 C 17.23 -12.33 C 15.98 -14.48 C 17.23 -13.77 C 18.47 -11.62 24 1 -2 27 2 -2 22 3 -2 25 4 -1 26 5 -2 6 19 2 7 20 2 23 8 -1 28 9 -2 10 11 2 10 18 1 11 21 1 12 18 1 12 21 2 13 16 1 13 21 1 14 15 1 14 23 1 15 25 1 28 16 -1 17 19 1 17 24 1 19 26 1 20 22 1 20 24 1 22 28 1 23 26 1 24 27 1 25 27 1 25 28 1 26 27 1', '28 31 H 19.39 -15.18 H 17.23 -14.71 C:16 20.92 -11.62 C:18 17.23 -10.90 C:23 15.05 -15.51 O 15.69 -16.94 O 20.92 -14.48 O 13.58 -14.48 O 19.71 -10.90 C:143 20.40 -5.90 C:111 20.86 -7.24 C:139 18.57 -7.24 C:18 19.71 -9.48 C:28 14.78 -12.33 C:28 15.98 -11.62 C:38 18.47 -10.20 O 18.15 -15.83 O 19.01 -5.90 C:180 16.54 -15.83 C:208 19.71 -13.77 C:124 19.71 -8.07 C:52 19.71 -12.33 C:74 14.78 -13.77 C:76 18.47 -14.48 C:41 17.23 -12.33 C:44 15.98 -14.48 C:46 17.23 -13.77 C:77 18.47 -11.62 24 1 -2 27 2 -2 22 3 -2 25 4 -1 26 5 -2 6 19 2 7 20 2 23 8 -1 28 9 -2 10 11 2 10 18 1 11 21 1 12 18 1 12 21 2 13 16 1 13 21 1 14 15 1 14 23 1 15 25 1 28 16 -1 17 19 1 17 24 1 19 26 1 20 22 1 20 24 1 22 28 1 23 26 1 24 27 1 25 27 1 25 28 1 26 27 1', 'C20H26O6', 362.226, 'C', 'mrc07_899_1', 3684, '', '', '1', 47, NULL, NULL),
(14366, 'Ballotinone', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:6]14O[C:19](=O)[C@@:4]2([CH3:18])[CH2:3][CH2:2][CH2:1][C@@:10]([CH3:20])([C@@:5]12[H])[C@@:9](O)([CH2:11][CH2:12][c:13]3[cH:14][cH:15]o[cH:16]3)[C@H:8]([CH3:17])[C:7]4=O', '[H][C@]14OC(=O)[C@@]2(C)CCC[C@@](C)([C@@]12[H])[C@@](O)(CCc3ccoc3)[C@H](C)C4=O', '[H][C@:76]14O[C:180](=O)[C@@:42]2([CH3:26])[CH2:29][CH2:18][CH2:29][C@@:41]([CH3:18])([C@@:45]12[H])[C@@:78](O)([CH2:38][CH2:18][c:124]3[cH:111][cH:143]o[cH:139]3)[C@H:51]([CH3:16])[C:209]4=O', '27 30 H 18.77 -15.19 H 16.61 -14.72 C:17 20.30 -11.62 C:18 14.44 -15.52 C:20 16.61 -10.90 O 15.08 -16.94 O 20.30 -14.49 O 19.09 -10.90 C:15 19.78 -5.90 C:14 20.24 -7.24 C:16 17.95 -7.24 C:2 14.17 -12.33 C:12 19.09 -9.48 C:3 14.17 -13.78 C:1 15.37 -11.62 C:11 17.85 -10.20 O 17.53 -15.84 O 18.39 -5.90 C:19 15.92 -15.84 C:7 19.09 -13.78 C:13 19.09 -8.07 C:8 19.09 -12.33 C:6 17.85 -14.49 C:4 15.37 -14.49 C:10 16.61 -12.33 C:5 16.61 -13.78 C:9 17.85 -11.62 23 1 -2 26 2 -2 22 3 -2 24 4 -2 25 5 -1 6 19 2 7 20 2 27 8 -2 9 10 2 9 18 1 10 21 1 11 18 1 11 21 2 12 14 1 12 15 1 13 16 1 13 21 1 14 24 1 15 25 1 27 16 -1 17 19 1 17 23 1 19 24 1 20 22 1 20 23 1 22 27 1 23 26 1 24 26 1 25 26 1 25 27 1', '27 30 H 18.77 -15.19 H 16.61 -14.72 C 20.30 -11.62 C 14.44 -15.52 C 16.61 -10.90 O 15.08 -16.94 O 20.30 -14.49 O 19.09 -10.90 C 19.78 -5.90 C 20.24 -7.24 C 17.95 -7.24 C 14.17 -12.33 C 19.09 -9.48 C 14.17 -13.78 C 15.37 -11.62 C 17.85 -10.20 O 17.53 -15.84 O 18.39 -5.90 C 15.92 -15.84 C 19.09 -13.78 C 19.09 -8.07 C 19.09 -12.33 C 17.85 -14.49 C 15.37 -14.49 C 16.61 -12.33 C 16.61 -13.78 C 17.85 -11.62 23 1 -2 26 2 -2 22 3 -2 24 4 -2 25 5 -1 6 19 2 7 20 2 27 8 -2 9 10 2 9 18 1 10 21 1 11 18 1 11 21 2 12 14 1 12 15 1 13 16 1 13 21 1 14 24 1 15 25 1 27 16 -1 17 19 1 17 23 1 19 24 1 20 22 1 20 23 1 22 27 1 23 26 1 24 26 1 25 26 1 25 27 1', '27 30 H 18.77 -15.19 H 16.61 -14.72 C:16 20.30 -11.62 C:26 14.44 -15.52 C:18 16.61 -10.90 O 15.08 -16.94 O 20.30 -14.49 O 19.09 -10.90 C:143 19.78 -5.90 C:111 20.24 -7.24 C:139 17.95 -7.24 C:18 14.17 -12.33 C:18 19.09 -9.48 C:29 14.17 -13.78 C:29 15.37 -11.62 C:38 17.85 -10.20 O 17.53 -15.84 O 18.39 -5.90 C:180 15.92 -15.84 C:209 19.09 -13.78 C:124 19.09 -8.07 C:51 19.09 -12.33 C:76 17.85 -14.49 C:42 15.37 -14.49 C:41 16.61 -12.33 C:45 16.61 -13.78 C:78 17.85 -11.62 23 1 -2 26 2 -2 22 3 -2 24 4 -2 25 5 -1 6 19 2 7 20 2 27 8 -2 9 10 2 9 18 1 10 21 1 11 18 1 11 21 2 12 14 1 12 15 1 13 16 1 13 21 1 14 24 1 15 25 1 27 16 -1 17 19 1 17 23 1 19 24 1 20 22 1 20 23 1 22 27 1 23 26 1 24 26 1 25 26 1 25 27 1', 'C20H26O5', 346.227, 'C', 'mrc07_899_2', 3684, '', '', '1', 47, NULL, NULL),
(14367, 'Ballonigrin', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:6]23O[C:19](=O)[C@@:4]4([CH3:18])[CH2:3][CH2:2][CH2:1][C@:10]([CH3:20])([C:9]([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)=[C:8]([CH3:17])[C:7]2=O)[C@@:5]34[H]', '[H][C@@]23OC(=O)[C@@]4(C)CCC[C@](C)(C(CCc1ccoc1)=C(C)C2=O)[C@@]34[H]', '[H][C@@:75]23O[C:180](=O)[C@@:42]4([CH3:25])[CH2:28][CH2:18][CH2:30][C@:37]([CH3:28])([C:167]([CH2:30][CH2:24][c:124]1[cH:111][cH:143]o[cH:139]1)=[C:131]([CH3:12])[C:193]2=O)[C@@:50]34[H]', '26 29 H 18.80 -15.20 H 16.64 -14.73 C:17 20.34 -11.64 C:18 14.47 -15.53 C:20 16.64 -10.92 O 15.11 -16.96 O 20.34 -14.50 C:15 19.82 -5.92 C:14 20.28 -7.26 C:16 17.98 -7.26 C:2 14.20 -12.36 C:11 17.88 -10.21 C:12 19.12 -9.49 C:3 14.20 -13.79 C:1 15.40 -11.64 O 17.56 -15.85 O 18.42 -5.92 C:8 19.12 -12.36 C:19 15.96 -15.85 C:7 19.12 -13.79 C:9 17.88 -11.64 C:13 19.12 -8.08 C:6 17.88 -14.50 C:4 15.40 -14.50 C:10 16.64 -12.36 C:5 16.64 -13.79 23 1 -2 26 2 -2 3 18 1 24 4 -2 25 5 -1 6 19 2 7 20 2 8 9 2 8 17 1 9 22 1 10 17 1 10 22 2 11 14 1 11 15 1 12 13 1 12 21 1 13 22 1 14 24 1 15 25 1 16 19 1 16 23 1 18 20 1 18 21 2 19 24 1 20 23 1 21 25 1 23 26 1 24 26 1 25 26 1', '26 29 H 18.80 -15.20 H 16.64 -14.73 C 20.34 -11.64 C 14.47 -15.53 C 16.64 -10.92 O 15.11 -16.96 O 20.34 -14.50 C 19.82 -5.92 C 20.28 -7.26 C 17.98 -7.26 C 14.20 -12.36 C 17.88 -10.21 C 19.12 -9.49 C 14.20 -13.79 C 15.40 -11.64 O 17.56 -15.85 O 18.42 -5.92 C 19.12 -12.36 C 15.96 -15.85 C 19.12 -13.79 C 17.88 -11.64 C 19.12 -8.08 C 17.88 -14.50 C 15.40 -14.50 C 16.64 -12.36 C 16.64 -13.79 23 1 -2 26 2 -2 3 18 1 24 4 -2 25 5 -1 6 19 2 7 20 2 8 9 2 8 17 1 9 22 1 10 17 1 10 22 2 11 14 1 11 15 1 12 13 1 12 21 1 13 22 1 14 24 1 15 25 1 16 19 1 16 23 1 18 20 1 18 21 2 19 24 1 20 23 1 21 25 1 23 26 1 24 26 1 25 26 1', '26 29 H 18.80 -15.20 H 16.64 -14.73 C:12 20.34 -11.64 C:25 14.47 -15.53 C:28 16.64 -10.92 O 15.11 -16.96 O 20.34 -14.50 C:143 19.82 -5.92 C:111 20.28 -7.26 C:139 17.98 -7.26 C:18 14.20 -12.36 C:30 17.88 -10.21 C:24 19.12 -9.49 C:28 14.20 -13.79 C:30 15.40 -11.64 O 17.56 -15.85 O 18.42 -5.92 C:131 19.12 -12.36 C:180 15.96 -15.85 C:193 19.12 -13.79 C:167 17.88 -11.64 C:124 19.12 -8.08 C:75 17.88 -14.50 C:42 15.40 -14.50 C:37 16.64 -12.36 C:50 16.64 -13.79 23 1 -2 26 2 -2 3 18 1 24 4 -2 25 5 -1 6 19 2 7 20 2 8 9 2 8 17 1 9 22 1 10 17 1 10 22 2 11 14 1 11 15 1 12 13 1 12 21 1 13 22 1 14 24 1 15 25 1 16 19 1 16 23 1 18 20 1 18 21 2 19 24 1 20 23 1 21 25 1 23 26 1 24 26 1 25 26 1', 'C20H24O4', 328.227, 'C', 'mrc07_899_3', 3684, '', '', '1', 47, NULL, NULL),
(14368, 'Ballonigrinone', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:6]23O[C:19](=O)[C@@:4]4([CH3:18])[C:3](=O)[CH2:2][CH2:1][C@:10]([CH3:20])([C:9]([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)=[C:8]([CH3:17])[C:7]2=O)[C@@:5]34[H]', '[H][C@@]23OC(=O)[C@@]4(C)C(=O)CC[C@](C)(C(CCc1ccoc1)=C(C)C2=O)[C@@]34[H]', '[H][C@@:75]23O[C:172](=O)[C@@:52]4([CH3:22])[C:203](=O)[CH2:34][CH2:30][C@:36]([CH3:24])([C:164]([CH2:30][CH2:24][c:123]1[cH:110][cH:143]o[cH:139]1)=[C:133]([CH3:12])[C:191]2=O)[C@@:50]34[H]', '27 30 H 19.35 -15.19 H 17.19 -14.72 C:17 20.89 -11.63 C:20 17.19 -10.91 C:18 15.02 -15.51 O 13.55 -14.50 O 15.66 -16.94 O 20.89 -14.50 C:15 20.37 -5.91 C:14 20.83 -7.25 C:16 18.53 -7.25 C:2 14.75 -12.35 C:11 18.43 -10.20 C:12 19.67 -9.48 C:1 15.95 -11.63 O 18.11 -15.83 O 18.96 -5.91 C:8 19.67 -12.35 C:3 14.75 -13.78 C:19 16.51 -15.83 C:7 19.67 -13.78 C:9 18.43 -11.63 C:13 19.67 -8.07 C:6 18.43 -14.50 C:10 17.19 -12.35 C:4 15.95 -14.50 C:5 17.19 -13.78 24 1 -2 27 2 -2 3 18 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 21 2 9 10 2 9 17 1 10 23 1 11 17 1 11 23 2 12 15 1 12 19 1 13 14 1 13 22 1 14 23 1 15 25 1 16 20 1 16 24 1 18 21 1 18 22 2 19 26 1 20 26 1 21 24 1 22 25 1 24 27 1 25 27 1 26 27 1', '27 30 H 19.35 -15.19 H 17.19 -14.72 C 20.89 -11.63 C 17.19 -10.91 C 15.02 -15.51 O 13.55 -14.50 O 15.66 -16.94 O 20.89 -14.50 C 20.37 -5.91 C 20.83 -7.25 C 18.53 -7.25 C 14.75 -12.35 C 18.43 -10.20 C 19.67 -9.48 C 15.95 -11.63 O 18.11 -15.83 O 18.96 -5.91 C 19.67 -12.35 C 14.75 -13.78 C 16.51 -15.83 C 19.67 -13.78 C 18.43 -11.63 C 19.67 -8.07 C 18.43 -14.50 C 17.19 -12.35 C 15.95 -14.50 C 17.19 -13.78 24 1 -2 27 2 -2 3 18 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 21 2 9 10 2 9 17 1 10 23 1 11 17 1 11 23 2 12 15 1 12 19 1 13 14 1 13 22 1 14 23 1 15 25 1 16 20 1 16 24 1 18 21 1 18 22 2 19 26 1 20 26 1 21 24 1 22 25 1 24 27 1 25 27 1 26 27 1', '27 30 H 19.35 -15.19 H 17.19 -14.72 C:12 20.89 -11.63 C:24 17.19 -10.91 C:22 15.02 -15.51 O 13.55 -14.50 O 15.66 -16.94 O 20.89 -14.50 C:143 20.37 -5.91 C:110 20.83 -7.25 C:139 18.53 -7.25 C:34 14.75 -12.35 C:30 18.43 -10.20 C:24 19.67 -9.48 C:30 15.95 -11.63 O 18.11 -15.83 O 18.96 -5.91 C:133 19.67 -12.35 C:203 14.75 -13.78 C:172 16.51 -15.83 C:191 19.67 -13.78 C:164 18.43 -11.63 C:123 19.67 -8.07 C:75 18.43 -14.50 C:36 17.19 -12.35 C:52 15.95 -14.50 C:50 17.19 -13.78 24 1 -2 27 2 -2 3 18 1 25 4 -1 26 5 -2 6 19 2 7 20 2 8 21 2 9 10 2 9 17 1 10 23 1 11 17 1 11 23 2 12 15 1 12 19 1 13 14 1 13 22 1 14 23 1 15 25 1 16 20 1 16 24 1 18 21 1 18 22 2 19 26 1 20 26 1 21 24 1 22 25 1 24 27 1 25 27 1 26 27 1', 'C20H22O5', 342.227, 'C', 'mrc07_899_4', 3684, '', '', '1', 47, NULL, NULL),
(14369, '', 'Labda-8(17),12E,14-triene-2α,18-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]2([CH3:19])[CH2:18]O', '[H][C@@]12CCC(=C)[C@H](CC=C(C)C=C)[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO', '[H][C@@:47]12[CH2:24][CH2:38][C:147](=[CH2:109])[C@H:57]([CH2:23][CH:133]=[C:134]([CH3:12])[CH:142]=[CH2:110])[C@@:41]1([CH3:16])[CH2:48][C@@H:66](O)[CH2:45][C@@:39]2([CH3:19])[CH2:71]O', '23 24 H 17.26 -14.72 C:15 20.96 -5.96 C:17 20.96 -11.66 C:16 18.50 -7.35 C:19 15.08 -15.52 C:20 17.26 -10.92 O 16.55 -16.87 O 13.57 -11.66 C:14 20.96 -7.35 C:12 19.74 -9.50 C:18 16.98 -15.52 C:11 18.50 -10.20 C:7 19.74 -13.77 C:6 18.50 -14.47 C:3 14.80 -13.77 C:1 16.03 -11.63 C:13 19.74 -8.06 C:8 19.74 -12.35 C:2 14.80 -12.35 C:9 18.50 -11.66 C:5 17.26 -13.77 C:4 16.03 -14.47 C:10 17.26 -12.35 21 1 -2 2 9 2 3 18 2 4 17 1 22 5 -1 23 6 -1 7 11 1 19 8 -2 9 17 1 10 12 1 10 17 2 22 11 -2 20 12 -1 13 14 1 13 18 1 14 21 1 15 19 1 15 22 1 16 19 1 16 23 1 18 20 1 20 23 1 21 22 1 21 23 1', '23 24 H 17.26 -14.72 C 20.96 -5.96 C 20.96 -11.66 C 18.50 -7.35 C 15.08 -15.52 C 17.26 -10.92 O 16.55 -16.87 O 13.57 -11.66 C 20.96 -7.35 C 19.74 -9.50 C 16.98 -15.52 C 18.50 -10.20 C 19.74 -13.77 C 18.50 -14.47 C 14.80 -13.77 C 16.03 -11.63 C 19.74 -8.06 C 19.74 -12.35 C 14.80 -12.35 C 18.50 -11.66 C 17.26 -13.77 C 16.03 -14.47 C 17.26 -12.35 21 1 -2 2 9 2 3 18 2 4 17 1 22 5 -1 23 6 -1 7 11 1 19 8 -2 9 17 1 10 12 1 10 17 2 22 11 -2 20 12 -1 13 14 1 13 18 1 14 21 1 15 19 1 15 22 1 16 19 1 16 23 1 18 20 1 20 23 1 21 22 1 21 23 1', '23 24 H 17.26 -14.72 C:110 20.96 -5.96 C:109 20.96 -11.66 C:12 18.50 -7.35 C:19 15.08 -15.52 C:16 17.26 -10.92 O 16.55 -16.87 O 13.57 -11.66 C:142 20.96 -7.35 C:133 19.74 -9.50 C:71 16.98 -15.52 C:23 18.50 -10.20 C:38 19.74 -13.77 C:24 18.50 -14.47 C:45 14.80 -13.77 C:48 16.03 -11.63 C:134 19.74 -8.06 C:147 19.74 -12.35 C:66 14.80 -12.35 C:57 18.50 -11.66 C:47 17.26 -13.77 C:39 16.03 -14.47 C:41 17.26 -12.35 21 1 -2 2 9 2 3 18 2 4 17 1 22 5 -1 23 6 -1 7 11 1 19 8 -2 9 17 1 10 12 1 10 17 2 22 11 -2 20 12 -1 13 14 1 13 18 1 14 21 1 15 19 1 15 22 1 16 19 1 16 23 1 18 20 1 20 23 1 21 22 1 21 23 1', 'C20H32O2', 304.221, 'C', 'np07_293_2', 3685, '', '', '1', 47, NULL, NULL),
(14370, '', '2α-Hydroxylabda-8(17),12E,14-trien-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]2([CH3:19])[C:18](=O)O', '[H][C@@]12CCC(=C)[C@H](CC=C(C)C=C)[C@@]1(C)C[C@@H](O)C[C@@]2(C)C(=O)O', '[H][C@@:49]12[CH2:26][CH2:37][C:147](=[CH2:109])[C@H:57]([CH2:23][CH:133]=[C:134]([CH3:12])[CH:141]=[CH2:110])[C@@:40]1([CH3:16])[CH2:47][C@@H:65](O)[CH2:45][C@@:48]2([CH3:17])[C:183](=O)O', '24 25 H 17.26 -14.72 C:15 20.96 -5.96 C:17 20.96 -11.66 C:16 18.50 -7.36 C:19 15.08 -15.52 C:20 17.26 -10.92 O 18.35 -15.22 O 16.55 -16.87 O 13.57 -11.66 C:14 20.96 -7.36 C:12 19.74 -9.50 C:11 18.50 -10.20 C:7 19.74 -13.77 C:6 18.50 -14.47 C:3 14.80 -13.77 C:1 16.03 -11.63 C:13 19.74 -8.06 C:8 19.74 -12.35 C:18 16.98 -15.52 C:2 14.80 -12.35 C:9 18.50 -11.66 C:5 17.26 -13.77 C:4 16.03 -14.47 C:10 17.26 -12.35 22 1 -2 2 10 2 3 18 2 4 17 1 23 5 -1 24 6 -1 7 19 2 8 19 1 20 9 -2 10 17 1 11 12 1 11 17 2 21 12 -1 13 14 1 13 18 1 14 22 1 15 20 1 15 23 1 16 20 1 16 24 1 18 21 1 23 19 -2 21 24 1 22 23 1 22 24 1', '24 25 H 17.26 -14.72 C 20.96 -5.96 C 20.96 -11.66 C 18.50 -7.36 C 15.08 -15.52 C 17.26 -10.92 O 18.35 -15.22 O 16.55 -16.87 O 13.57 -11.66 C 20.96 -7.36 C 19.74 -9.50 C 18.50 -10.20 C 19.74 -13.77 C 18.50 -14.47 C 14.80 -13.77 C 16.03 -11.63 C 19.74 -8.06 C 19.74 -12.35 C 16.98 -15.52 C 14.80 -12.35 C 18.50 -11.66 C 17.26 -13.77 C 16.03 -14.47 C 17.26 -12.35 22 1 -2 2 10 2 3 18 2 4 17 1 23 5 -1 24 6 -1 7 19 2 8 19 1 20 9 -2 10 17 1 11 12 1 11 17 2 21 12 -1 13 14 1 13 18 1 14 22 1 15 20 1 15 23 1 16 20 1 16 24 1 18 21 1 23 19 -2 21 24 1 22 23 1 22 24 1', '24 25 H 17.26 -14.72 C:110 20.96 -5.96 C:109 20.96 -11.66 C:12 18.50 -7.36 C:17 15.08 -15.52 C:16 17.26 -10.92 O 18.35 -15.22 O 16.55 -16.87 O 13.57 -11.66 C:141 20.96 -7.36 C:133 19.74 -9.50 C:23 18.50 -10.20 C:37 19.74 -13.77 C:26 18.50 -14.47 C:45 14.80 -13.77 C:47 16.03 -11.63 C:134 19.74 -8.06 C:147 19.74 -12.35 C:183 16.98 -15.52 C:65 14.80 -12.35 C:57 18.50 -11.66 C:49 17.26 -13.77 C:48 16.03 -14.47 C:40 17.26 -12.35 22 1 -2 2 10 2 3 18 2 4 17 1 23 5 -1 24 6 -1 7 19 2 8 19 1 20 9 -2 10 17 1 11 12 1 11 17 2 21 12 -1 13 14 1 13 18 1 14 22 1 15 20 1 15 23 1 16 20 1 16 24 1 18 21 1 23 19 -2 21 24 1 22 23 1 22 24 1', 'C20H30O3', 318.22, 'C', 'np07_293_3', 3685, '', '', '1', 47, NULL, NULL),
(14371, '', 'Methyl 2α-hydroxylabda-8(17),12E,14-trien-18-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]2([CH3:19])[C:18](=O)O[CH3:18001]', '[H][C@@]12CCC(=C)[C@H](CC=C(C)C=C)[C@@]1(C)C[C@@H](O)C[C@@]2(C)C(=O)OC', '[H][C@@:49]12[CH2:26][CH2:37][C:147](=[CH2:109])[C@H:57]([CH2:23][CH:133]=[C:134]([CH3:12])[CH:141]=[CH2:110])[C@@:40]1([CH3:16])[CH2:47][C@@H:65](O)[CH2:46][C@@:49]2([CH3:18])[C:178](=O)O[CH3:52]', '25 26 H 17.26 -14.21 C:15 20.95 -5.45 C:17 20.95 -11.15 C:18001 17.48 -17.40 C:16 18.50 -6.84 C:19 15.08 -15.01 C:20 17.26 -10.41 O 18.35 -14.71 O 13.57 -11.15 C:14 20.95 -6.84 C:12 19.73 -8.99 C:11 18.50 -9.69 C:7 19.73 -13.26 C:6 18.50 -13.96 C:3 14.80 -13.26 C:1 16.03 -11.12 O 16.55 -16.36 C:13 19.73 -7.55 C:8 19.73 -11.84 C:18 16.98 -15.01 C:2 14.80 -11.84 C:9 18.50 -11.15 C:5 17.26 -13.26 C:4 16.03 -13.96 C:10 17.26 -11.84 23 1 -2 2 10 2 3 19 2 4 17 1 5 18 1 24 6 -1 25 7 -1 8 20 2 21 9 -2 10 18 1 11 12 1 11 18 2 22 12 -1 13 14 1 13 19 1 14 23 1 15 21 1 15 24 1 16 21 1 16 25 1 17 20 1 19 22 1 24 20 -2 22 25 1 23 24 1 23 25 1', '25 26 H 17.26 -14.21 C 20.95 -5.45 C 20.95 -11.15 C 17.48 -17.40 C 18.50 -6.84 C 15.08 -15.01 C 17.26 -10.41 O 18.35 -14.71 O 13.57 -11.15 C 20.95 -6.84 C 19.73 -8.99 C 18.50 -9.69 C 19.73 -13.26 C 18.50 -13.96 C 14.80 -13.26 C 16.03 -11.12 O 16.55 -16.36 C 19.73 -7.55 C 19.73 -11.84 C 16.98 -15.01 C 14.80 -11.84 C 18.50 -11.15 C 17.26 -13.26 C 16.03 -13.96 C 17.26 -11.84 23 1 -2 2 10 2 3 19 2 4 17 1 5 18 1 24 6 -1 25 7 -1 8 20 2 21 9 -2 10 18 1 11 12 1 11 18 2 22 12 -1 13 14 1 13 19 1 14 23 1 15 21 1 15 24 1 16 21 1 16 25 1 17 20 1 19 22 1 24 20 -2 22 25 1 23 24 1 23 25 1', '25 26 H 17.26 -14.21 C:110 20.95 -5.45 C:109 20.95 -11.15 C:52 17.48 -17.40 C:12 18.50 -6.84 C:18 15.08 -15.01 C:16 17.26 -10.41 O 18.35 -14.71 O 13.57 -11.15 C:141 20.95 -6.84 C:133 19.73 -8.99 C:23 18.50 -9.69 C:37 19.73 -13.26 C:26 18.50 -13.96 C:46 14.80 -13.26 C:47 16.03 -11.12 O 16.55 -16.36 C:134 19.73 -7.55 C:147 19.73 -11.84 C:178 16.98 -15.01 C:65 14.80 -11.84 C:57 18.50 -11.15 C:49 17.26 -13.26 C:49 16.03 -13.96 C:40 17.26 -11.84 23 1 -2 2 10 2 3 19 2 4 17 1 5 18 1 24 6 -1 25 7 -1 8 20 2 21 9 -2 10 18 1 11 12 1 11 18 2 22 12 -1 13 14 1 13 19 1 14 23 1 15 21 1 15 24 1 16 21 1 16 25 1 17 20 1 19 22 1 24 20 -2 22 25 1 23 24 1 23 25 1', 'C21H32O3', 332.231, 'C', 'np07_293_7', 3685, '', '', '1', 47, NULL, NULL),
(14372, '', '6β,7α,15-Triacetoxylabda-8,13E-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[C:15001]([CH3:15002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C(CCC(C)=CCOC(C)=O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:49]12[C@H:70](O[C:170]([CH3:22])=O)[C@@H:73](O[C:171]([CH3:21])=O)[C:122]([CH3:17])=[C:148]([CH2:27][CH2:39][C:142]([CH3:17])=[CH:118][CH2:61]O[C:170]([CH3:21])=O)[C@@:40]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@:33]2([CH3:33])[CH3:23]', '33 34 H 15.45 -15.60 C:15002 16.68 -3.97 C:7002 21.57 -15.35 C:6002 17.90 -18.86 C:16 16.68 -8.15 C:17 19.09 -12.48 C:18 15.17 -16.41 C:19 13.27 -16.41 C:20 15.45 -11.77 O 19.09 -3.97 O 20.35 -13.25 O 19.09 -16.75 C:14 19.09 -8.15 C:15 19.09 -6.75 C:2 12.98 -13.20 C:12 17.90 -10.33 C:11 16.68 -11.04 C:3 12.98 -14.65 C:1 14.22 -12.48 O 17.90 -6.06 O 19.14 -15.35 O 16.68 -16.75 C:15001 17.90 -4.66 C:7001 20.35 -14.65 C:6001 17.90 -17.46 C:13 17.90 -8.87 C:8 17.90 -13.20 C:9 16.68 -12.48 C:7 17.90 -14.65 C:6 16.68 -15.35 C:4 14.22 -15.35 C:10 15.45 -13.20 C:5 15.45 -14.65 33 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 31 7 -2 31 8 -1 32 9 -1 10 23 2 11 24 2 12 25 2 13 14 1 13 26 2 14 20 1 15 18 1 15 19 1 16 17 1 16 26 1 17 28 1 18 31 1 19 32 1 20 23 1 21 24 1 29 21 -2 22 25 1 30 22 -1 27 28 2 27 29 1 28 32 1 29 30 1 30 33 1 31 33 1 32 33 1', '33 34 H 15.45 -15.60 C 16.68 -3.97 C 21.57 -15.35 C 17.90 -18.86 C 16.68 -8.15 C 19.09 -12.48 C 15.17 -16.41 C 13.27 -16.41 C 15.45 -11.77 O 19.09 -3.97 O 20.35 -13.25 O 19.09 -16.75 C 19.09 -8.15 C 19.09 -6.75 C 12.98 -13.20 C 17.90 -10.33 C 16.68 -11.04 C 12.98 -14.65 C 14.22 -12.48 O 17.90 -6.06 O 19.14 -15.35 O 16.68 -16.75 C 17.90 -4.66 C 20.35 -14.65 C 17.90 -17.46 C 17.90 -8.87 C 17.90 -13.20 C 16.68 -12.48 C 17.90 -14.65 C 16.68 -15.35 C 14.22 -15.35 C 15.45 -13.20 C 15.45 -14.65 33 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 31 7 -2 31 8 -1 32 9 -1 10 23 2 11 24 2 12 25 2 13 14 1 13 26 2 14 20 1 15 18 1 15 19 1 16 17 1 16 26 1 17 28 1 18 31 1 19 32 1 20 23 1 21 24 1 29 21 -2 22 25 1 30 22 -1 27 28 2 27 29 1 28 32 1 29 30 1 30 33 1 31 33 1 32 33 1', '33 34 H 15.45 -15.60 C:21 16.68 -3.97 C:21 21.57 -15.35 C:22 17.90 -18.86 C:17 16.68 -8.15 C:17 19.09 -12.48 C:33 15.17 -16.41 C:23 13.27 -16.41 C:21 15.45 -11.77 O 19.09 -3.97 O 20.35 -13.25 O 19.09 -16.75 C:118 19.09 -8.15 C:61 19.09 -6.75 C:19 12.98 -13.20 C:39 17.90 -10.33 C:27 16.68 -11.04 C:43 12.98 -14.65 C:39 14.22 -12.48 O 17.90 -6.06 O 19.14 -15.35 O 16.68 -16.75 C:170 17.90 -4.66 C:171 20.35 -14.65 C:170 17.90 -17.46 C:142 17.90 -8.87 C:122 17.90 -13.20 C:148 16.68 -12.48 C:73 17.90 -14.65 C:70 16.68 -15.35 C:33 14.22 -15.35 C:40 15.45 -13.20 C:49 15.45 -14.65 33 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 31 7 -2 31 8 -1 32 9 -1 10 23 2 11 24 2 12 25 2 13 14 1 13 26 2 14 20 1 15 18 1 15 19 1 16 17 1 16 26 1 17 28 1 18 31 1 19 32 1 20 23 1 21 24 1 29 21 -2 22 25 1 30 22 -1 27 28 2 27 29 1 28 32 1 29 30 1 30 33 1 31 33 1 32 33 1', 'C26H40O6', 448.283, 'C', 'np08_420_3', 3686, '', '', '1', 47, NULL, NULL),
(14373, '', '3α,11-Dihydroxy-9,11-seco-cholest-4,7-dien-6,9-dione', 'Steroids', 'Cholestanes', '', '[H][C@@:14]3([C:8]2=[CH:7][C:6](=O)[C:5]1=[CH:4][C@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=O)[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[C@@:13]3([CH3:18])[CH2:12][CH2:11]O', '[H][C@@]3(C2=CC(=O)C1=C[C@H](O)CC[C@]1(C)C2=O)CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CCO', '[H][C@@:44]3([C:154]2=[CH:139][C:188](=O)[C:140]1=[CH:135][C@H:63](O)[CH2:27][CH2:25][C@:49]1([CH3:27])[C:202]2=O)[CH2:27][CH2:26][C@:50]([H])([C@H:35]([CH3:19])[CH2:36][CH2:24][CH2:39][CH:28]([CH3:23])[CH3:23])[C@@:48]3([CH3:18])[CH2:41][CH2:59]O', '33 35 H 17.06 -12.42 H 18.10 -10.45 C:26 24.85 -9.40 C:27 22.99 -11.01 C:21 17.83 -7.13 C:19 13.24 -10.65 C:18 17.06 -8.55 O 14.52 -15.70 O 14.52 -10.00 O 14.52 -7.19 O 9.63 -14.32 C:7 15.77 -13.58 C:4 12.01 -14.32 C:11 15.77 -7.87 C:23 21.08 -8.93 C:24 22.49 -8.63 C:22 20.15 -7.87 C:2 10.79 -12.10 C:12 15.77 -9.24 C:1 12.01 -11.36 C:15 18.33 -11.76 C:16 19.15 -10.65 C:6 14.52 -14.32 C:9 14.52 -11.36 C:8 15.77 -12.10 C:5 13.24 -13.58 C:25 23.44 -9.72 C:20 18.77 -8.19 C:3 10.79 -13.58 C:14 17.06 -11.36 C:10 13.24 -12.10 C:17 18.33 -9.52 C:13 17.06 -10.00 30 1 -2 32 2 -2 3 27 1 4 27 1 28 5 -2 31 6 -1 33 7 -1 8 23 2 9 24 2 10 14 1 29 11 -2 12 23 1 12 25 2 13 26 2 13 29 1 14 19 1 15 16 1 15 17 1 16 27 1 17 28 1 18 20 1 18 29 1 33 19 -2 20 31 1 21 22 1 21 30 1 22 32 1 23 26 1 24 25 1 24 31 1 25 30 1 26 31 1 28 32 1 30 33 1 32 33 1', '33 35 H 17.06 -12.42 H 18.10 -10.45 C 24.85 -9.40 C 22.99 -11.01 C 17.83 -7.13 C 13.24 -10.65 C 17.06 -8.55 O 14.52 -15.70 O 14.52 -10.00 O 14.52 -7.19 O 9.63 -14.32 C 15.77 -13.58 C 12.01 -14.32 C 15.77 -7.87 C 21.08 -8.93 C 22.49 -8.63 C 20.15 -7.87 C 10.79 -12.10 C 15.77 -9.24 C 12.01 -11.36 C 18.33 -11.76 C 19.15 -10.65 C 14.52 -14.32 C 14.52 -11.36 C 15.77 -12.10 C 13.24 -13.58 C 23.44 -9.72 C 18.77 -8.19 C 10.79 -13.58 C 17.06 -11.36 C 13.24 -12.10 C 18.33 -9.52 C 17.06 -10.00 30 1 -2 32 2 -2 3 27 1 4 27 1 28 5 -2 31 6 -1 33 7 -1 8 23 2 9 24 2 10 14 1 29 11 -2 12 23 1 12 25 2 13 26 2 13 29 1 14 19 1 15 16 1 15 17 1 16 27 1 17 28 1 18 20 1 18 29 1 33 19 -2 20 31 1 21 22 1 21 30 1 22 32 1 23 26 1 24 25 1 24 31 1 25 30 1 26 31 1 28 32 1 30 33 1 32 33 1', '33 35 H 17.06 -12.42 H 18.10 -10.45 C:23 24.85 -9.40 C:23 22.99 -11.01 C:19 17.83 -7.13 C:27 13.24 -10.65 C:18 17.06 -8.55 O 14.52 -15.70 O 14.52 -10.00 O 14.52 -7.19 O 9.63 -14.32 C:139 15.77 -13.58 C:135 12.01 -14.32 C:59 15.77 -7.87 C:24 21.08 -8.93 C:39 22.49 -8.63 C:36 20.15 -7.87 C:27 10.79 -12.10 C:41 15.77 -9.24 C:25 12.01 -11.36 C:27 18.33 -11.76 C:26 19.15 -10.65 C:188 14.52 -14.32 C:202 14.52 -11.36 C:154 15.77 -12.10 C:140 13.24 -13.58 C:28 23.44 -9.72 C:35 18.77 -8.19 C:63 10.79 -13.58 C:44 17.06 -11.36 C:49 13.24 -12.10 C:50 18.33 -9.52 C:48 17.06 -10.00 30 1 -2 32 2 -2 3 27 1 4 27 1 28 5 -2 31 6 -1 33 7 -1 8 23 2 9 24 2 10 14 1 29 11 -2 12 23 1 12 25 2 13 26 2 13 29 1 14 19 1 15 16 1 15 17 1 16 27 1 17 28 1 18 20 1 18 29 1 33 19 -2 20 31 1 21 22 1 21 30 1 22 32 1 23 26 1 24 25 1 24 31 1 25 30 1 26 31 1 28 32 1 30 33 1 32 33 1', 'C27H42O4', 430.302, 'C', 'np08_420_4', 3686, '', '', '1', 47, NULL, NULL),
(14374, '', 'Cholest-7-en-3,5,7-triol', 'Steroids', 'Cholestanes', '', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@:14]3([H])[C@:13]1([CH3:18])[CH2:12][CH2:11][C@:9]4([H])[C@@:10]2([CH3:19])[CH2:1][CH2:2][C@H:3](O)[CH2:4][C@:5]2(O)[CH:6]=[CH:7][C@:8]34O', '[H][C@]1([C@H](C)CCCC(C)C)CC[C@]3([H])[C@]1(C)CC[C@]4([H])[C@@]2(C)CC[C@H](O)C[C@]2(O)C=C[C@]34O', '[H][C@:56]1([C@H:35]([CH3:19])[CH2:36][CH2:24][CH2:39][CH:28]([CH3:23])[CH3:23])[CH2:28][CH2:23][C@:51]3([H])[C@:45]1([CH3:13])[CH2:39][CH2:21][C@:52]4([H])[C@@:37]2([CH3:18])[CH2:35][CH2:30][C@H:66](O)[CH2:37][C@:82]2(O)[CH:135]=[CH:131][C@:79]34O', '33 36 H 18.36 -10.83 H 17.06 -12.68 H 14.54 -12.76 C:26 24.93 -9.71 C:27 23.07 -11.34 C:21 17.86 -7.42 C:18 17.06 -8.85 C:19 13.25 -10.98 O 9.62 -14.65 O 13.25 -15.41 O 15.77 -11.05 C:6 14.54 -14.65 C:7 15.77 -13.92 C:23 21.15 -9.24 C:24 22.54 -8.93 C:22 20.20 -8.21 C:2 10.78 -12.44 C:16 19.19 -10.98 C:15 18.36 -12.12 C:11 14.54 -10.29 C:1 12.00 -11.70 C:12 15.77 -9.55 C:4 12.00 -14.65 C:25 23.50 -10.05 C:20 18.79 -8.50 C:3 10.78 -13.92 C:17 18.36 -9.84 C:14 17.06 -11.70 C:9 14.54 -11.70 C:5 13.25 -13.92 C:13 17.06 -10.29 C:10 13.25 -12.44 C:8 15.77 -12.44 27 1 -2 28 2 -2 29 3 -2 4 24 1 5 24 1 25 6 -2 31 7 -1 32 8 -1 26 9 -1 30 10 -2 33 11 -2 12 13 2 12 30 1 13 33 1 14 15 1 14 16 1 15 24 1 16 25 1 17 21 1 17 26 1 18 19 1 18 27 1 19 28 1 20 22 1 20 29 1 21 32 1 22 31 1 23 26 1 23 30 1 25 27 1 27 31 1 28 31 1 28 33 1 29 32 1 29 33 1 30 32 1', '33 36 H 18.36 -10.83 H 17.06 -12.68 H 14.54 -12.76 C 24.93 -9.71 C 23.07 -11.34 C 17.86 -7.42 C 17.06 -8.85 C 13.25 -10.98 O 9.62 -14.65 O 13.25 -15.41 O 15.77 -11.05 C 14.54 -14.65 C 15.77 -13.92 C 21.15 -9.24 C 22.54 -8.93 C 20.20 -8.21 C 10.78 -12.44 C 19.19 -10.98 C 18.36 -12.12 C 14.54 -10.29 C 12.00 -11.70 C 15.77 -9.55 C 12.00 -14.65 C 23.50 -10.05 C 18.79 -8.50 C 10.78 -13.92 C 18.36 -9.84 C 17.06 -11.70 C 14.54 -11.70 C 13.25 -13.92 C 17.06 -10.29 C 13.25 -12.44 C 15.77 -12.44 27 1 -2 28 2 -2 29 3 -2 4 24 1 5 24 1 25 6 -2 31 7 -1 32 8 -1 26 9 -1 30 10 -2 33 11 -2 12 13 2 12 30 1 13 33 1 14 15 1 14 16 1 15 24 1 16 25 1 17 21 1 17 26 1 18 19 1 18 27 1 19 28 1 20 22 1 20 29 1 21 32 1 22 31 1 23 26 1 23 30 1 25 27 1 27 31 1 28 31 1 28 33 1 29 32 1 29 33 1 30 32 1', '33 36 H 18.36 -10.83 H 17.06 -12.68 H 14.54 -12.76 C:23 24.93 -9.71 C:23 23.07 -11.34 C:19 17.86 -7.42 C:13 17.06 -8.85 C:18 13.25 -10.98 O 9.62 -14.65 O 13.25 -15.41 O 15.77 -11.05 C:135 14.54 -14.65 C:131 15.77 -13.92 C:24 21.15 -9.24 C:39 22.54 -8.93 C:36 20.20 -8.21 C:30 10.78 -12.44 C:28 19.19 -10.98 C:23 18.36 -12.12 C:21 14.54 -10.29 C:35 12.00 -11.70 C:39 15.77 -9.55 C:37 12.00 -14.65 C:28 23.50 -10.05 C:35 18.79 -8.50 C:66 10.78 -13.92 C:56 18.36 -9.84 C:51 17.06 -11.70 C:52 14.54 -11.70 C:82 13.25 -13.92 C:45 17.06 -10.29 C:37 13.25 -12.44 C:79 15.77 -12.44 27 1 -2 28 2 -2 29 3 -2 4 24 1 5 24 1 25 6 -2 31 7 -1 32 8 -1 26 9 -1 30 10 -2 33 11 -2 12 13 2 12 30 1 13 33 1 14 15 1 14 16 1 15 24 1 16 25 1 17 21 1 17 26 1 18 19 1 18 27 1 19 28 1 20 22 1 20 29 1 21 32 1 22 31 1 23 26 1 23 30 1 25 27 1 27 31 1 28 31 1 28 33 1 29 32 1 29 33 1 30 32 1', 'C27H46O3', 418.311, 'C', 'np08_420_5', 3686, '', '', '1', 47, NULL, NULL),
(14375, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[C:15001](=O)[C:15002]12[CH2:15003][CH2:15004][C:15005]([CH3:15008])([C:15006](=O)O1)[C:15007]2([CH3:15010])[CH3:15009])[C@@:10]3([CH3:20])[CH2:1][C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C(CCC(C)=CCOC(=O)C12CCC(C)(C(=O)O1)C2(C)C)[C@@]3(C)C[C@@H](OC(C)=O)C[C@@]4(C)C', '[H][C@@:49]34[C@H:69](O[C:170]([CH3:21])=O)[C@@H:73](O[C:170]([CH3:21])=O)[C:122]([CH3:17])=[C:147]([CH2:27][CH2:39][C:143]([CH3:17])=[CH:118][CH2:62]O[C:168](=O)[C:91]12[CH2:31][CH2:29][C:54]([CH3:10])([C:178](=O)O1)[C:55]2([CH3:17])[CH3:17])[C@@:34]3([CH3:22])[CH2:44][C@@H:68](O[C:171]([CH3:22])=O)[CH2:48][C@@:41]4([CH3:24])[CH3:33]', '47 50 H 15.22 -16.89 C:2002 10.36 -11.77 C:7002 21.26 -16.65 C:6002 17.67 -20.11 C:16 16.45 -9.58 C:17 18.84 -13.83 C:19 13.06 -17.68 C:18 14.94 -17.68 C:15010 22.26 -2.70 C:15009 24.01 -3.60 C:15008 24.09 -5.42 C:20 15.22 -13.13 O 12.78 -11.77 O 20.05 -14.55 O 18.84 -18.03 O 18.84 -5.42 O 21.77 -3.38 C:14 18.84 -9.58 C:15 18.84 -8.19 C:12 17.67 -11.70 C:11 16.45 -12.42 C:15004 23.38 -6.61 C:15003 22.00 -6.61 C:3 12.78 -15.94 C:1 14.01 -13.83 O 20.05 -7.50 O 11.58 -13.86 O 18.84 -16.65 O 16.45 -18.03 O 20.05 -4.73 C:2001 11.58 -12.48 C:7001 20.05 -15.94 C:6001 17.67 -18.72 C:13 17.67 -10.30 C:8 17.67 -14.55 C:15001 20.05 -6.11 C:15006 21.45 -4.73 C:9 16.45 -13.83 C:2 12.78 -14.55 C:7 17.67 -15.94 C:6 16.45 -16.65 C:4 14.01 -16.65 C:15007 22.69 -4.02 C:15005 22.69 -5.42 C:10 15.22 -14.55 C:5 15.22 -15.94 C:15002 21.26 -5.42 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 35 1 42 7 -1 42 8 -2 9 43 1 10 43 1 11 44 1 45 12 -1 13 31 2 14 32 2 15 33 2 16 36 2 17 37 2 18 19 1 18 34 2 19 26 1 20 21 1 20 34 1 21 38 1 22 23 1 22 44 1 23 47 1 24 39 1 24 42 1 25 39 1 25 45 1 26 36 1 27 31 1 39 27 -2 28 32 1 40 28 -2 29 33 1 41 29 -1 30 37 1 30 47 1 35 38 2 35 40 1 36 47 1 37 44 1 38 45 1 40 41 1 41 46 1 42 46 1 43 44 1 43 47 1 45 46 1', '47 50 H 15.22 -16.89 C 10.36 -11.77 C 21.26 -16.65 C 17.67 -20.11 C 16.45 -9.58 C 18.84 -13.83 C 13.06 -17.68 C 14.94 -17.68 C 22.26 -2.70 C 24.01 -3.60 C 24.09 -5.42 C 15.22 -13.13 O 12.78 -11.77 O 20.05 -14.55 O 18.84 -18.03 O 18.84 -5.42 O 21.77 -3.38 C 18.84 -9.58 C 18.84 -8.19 C 17.67 -11.70 C 16.45 -12.42 C 23.38 -6.61 C 22.00 -6.61 C 12.78 -15.94 C 14.01 -13.83 O 20.05 -7.50 O 11.58 -13.86 O 18.84 -16.65 O 16.45 -18.03 O 20.05 -4.73 C 11.58 -12.48 C 20.05 -15.94 C 17.67 -18.72 C 17.67 -10.30 C 17.67 -14.55 C 20.05 -6.11 C 21.45 -4.73 C 16.45 -13.83 C 12.78 -14.55 C 17.67 -15.94 C 16.45 -16.65 C 14.01 -16.65 C 22.69 -4.02 C 22.69 -5.42 C 15.22 -14.55 C 15.22 -15.94 C 21.26 -5.42 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 35 1 42 7 -1 42 8 -2 9 43 1 10 43 1 11 44 1 45 12 -1 13 31 2 14 32 2 15 33 2 16 36 2 17 37 2 18 19 1 18 34 2 19 26 1 20 21 1 20 34 1 21 38 1 22 23 1 22 44 1 23 47 1 24 39 1 24 42 1 25 39 1 25 45 1 26 36 1 27 31 1 39 27 -2 28 32 1 40 28 -2 29 33 1 41 29 -1 30 37 1 30 47 1 35 38 2 35 40 1 36 47 1 37 44 1 38 45 1 40 41 1 41 46 1 42 46 1 43 44 1 43 47 1 45 46 1', '47 50 H 15.22 -16.89 C:22 10.36 -11.77 C:21 21.26 -16.65 C:21 17.67 -20.11 C:17 16.45 -9.58 C:17 18.84 -13.83 C:24 13.06 -17.68 C:33 14.94 -17.68 C:17 22.26 -2.70 C:17 24.01 -3.60 C:10 24.09 -5.42 C:22 15.22 -13.13 O 12.78 -11.77 O 20.05 -14.55 O 18.84 -18.03 O 18.84 -5.42 O 21.77 -3.38 C:118 18.84 -9.58 C:62 18.84 -8.19 C:39 17.67 -11.70 C:27 16.45 -12.42 C:29 23.38 -6.61 C:31 22.00 -6.61 C:48 12.78 -15.94 C:44 14.01 -13.83 O 20.05 -7.50 O 11.58 -13.86 O 18.84 -16.65 O 16.45 -18.03 O 20.05 -4.73 C:171 11.58 -12.48 C:170 20.05 -15.94 C:170 17.67 -18.72 C:143 17.67 -10.30 C:122 17.67 -14.55 C:168 20.05 -6.11 C:178 21.45 -4.73 C:147 16.45 -13.83 C:68 12.78 -14.55 C:73 17.67 -15.94 C:69 16.45 -16.65 C:41 14.01 -16.65 C:55 22.69 -4.02 C:54 22.69 -5.42 C:34 15.22 -14.55 C:49 15.22 -15.94 C:91 21.26 -5.42 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 35 1 42 7 -1 42 8 -2 9 43 1 10 43 1 11 44 1 45 12 -1 13 31 2 14 32 2 15 33 2 16 36 2 17 37 2 18 19 1 18 34 2 19 26 1 20 21 1 20 34 1 21 38 1 22 23 1 22 44 1 23 47 1 24 39 1 24 42 1 25 39 1 25 45 1 26 36 1 27 31 1 39 27 -2 28 32 1 40 28 -2 29 33 1 41 29 -1 30 37 1 30 47 1 35 38 2 35 40 1 36 47 1 37 44 1 38 45 1 40 41 1 41 46 1 42 46 1 43 44 1 43 47 1 45 46 1', 'C36H52O10', 644.387, 'C', 'np08_420_11', 3686, '', '', '1', 47, 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
(14376, '', '3α-Hydroxy-11-acetoxy-9,11-seco-cholest-4,7-dien-6,9-dione', 'Steroids', 'Cholestanes', '', '[H][C@@:14]3([C:8]2=[CH:7][C:6](=O)[C:5]1=[CH:4][C@H:3](O)[CH2:2][CH2:1][C@:10]1([CH3:19])[C:9]2=O)[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][CH2:24][CH:25]([CH3:27])[CH3:26])[C@@:13]3([CH3:18])[CH2:12][CH2:11]O[C:11001]([CH3:11002])=O', '[H][C@@]3(C2=CC(=O)C1=C[C@H](O)CC[C@]1(C)C2=O)CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CCOC(C)=O', '[H][C@@:44]3([C:153]2=[CH:138][C:188](=O)[C:141]1=[CH:135][C@H:63](O)[CH2:27][CH2:25][C@:49]1([CH3:27])[C:200]2=O)[CH2:27][CH2:26][C@:51]([H])([C@H:35]([CH3:19])[CH2:35][CH2:24][CH2:39][CH:28]([CH3:23])[CH3:23])[C@@:48]3([CH3:18])[CH2:37][CH2:61]O[C:171]([CH3:21])=O', '36 38 H 17.05 -13.42 H 18.32 -11.50 C:11002 13.23 -6.12 C:27 22.97 -12.00 C:26 24.82 -10.39 C:21 17.82 -8.13 C:19 13.23 -11.65 C:18 17.05 -9.55 O 15.76 -6.12 O 14.53 -16.69 O 14.53 -10.98 O 9.63 -15.30 C:7 15.76 -14.58 C:4 11.99 -15.30 C:23 21.07 -9.93 C:11 15.76 -8.87 C:24 22.47 -9.63 C:22 20.15 -8.87 C:2 10.78 -13.09 C:1 11.99 -12.36 C:12 15.76 -10.23 C:15 18.32 -12.76 C:16 19.14 -11.65 O 14.53 -8.19 C:11001 14.53 -6.79 C:6 14.53 -15.30 C:9 14.53 -12.36 C:5 13.23 -14.58 C:8 15.76 -13.09 C:25 23.41 -10.72 C:3 10.78 -14.58 C:20 18.76 -9.18 C:10 13.23 -13.09 C:14 17.05 -12.36 C:17 18.32 -10.51 C:13 17.05 -10.98 34 1 -2 35 2 -2 3 25 1 4 30 1 5 30 1 32 6 -2 33 7 -1 36 8 -1 9 25 2 10 26 2 11 27 2 31 12 -2 13 26 1 13 29 2 14 28 2 14 31 1 15 17 1 15 18 1 16 21 1 16 24 1 17 30 1 18 32 1 19 20 1 19 31 1 20 33 1 36 21 -2 22 23 1 22 34 1 23 35 1 24 25 1 26 28 1 27 29 1 27 33 1 28 33 1 29 34 1 32 35 1 34 36 1 35 36 1', '36 38 H 17.05 -13.42 H 18.32 -11.50 C 13.23 -6.12 C 22.97 -12.00 C 24.82 -10.39 C 17.82 -8.13 C 13.23 -11.65 C 17.05 -9.55 O 15.76 -6.12 O 14.53 -16.69 O 14.53 -10.98 O 9.63 -15.30 C 15.76 -14.58 C 11.99 -15.30 C 21.07 -9.93 C 15.76 -8.87 C 22.47 -9.63 C 20.15 -8.87 C 10.78 -13.09 C 11.99 -12.36 C 15.76 -10.23 C 18.32 -12.76 C 19.14 -11.65 O 14.53 -8.19 C 14.53 -6.79 C 14.53 -15.30 C 14.53 -12.36 C 13.23 -14.58 C 15.76 -13.09 C 23.41 -10.72 C 10.78 -14.58 C 18.76 -9.18 C 13.23 -13.09 C 17.05 -12.36 C 18.32 -10.51 C 17.05 -10.98 34 1 -2 35 2 -2 3 25 1 4 30 1 5 30 1 32 6 -2 33 7 -1 36 8 -1 9 25 2 10 26 2 11 27 2 31 12 -2 13 26 1 13 29 2 14 28 2 14 31 1 15 17 1 15 18 1 16 21 1 16 24 1 17 30 1 18 32 1 19 20 1 19 31 1 20 33 1 36 21 -2 22 23 1 22 34 1 23 35 1 24 25 1 26 28 1 27 29 1 27 33 1 28 33 1 29 34 1 32 35 1 34 36 1 35 36 1', '36 38 H 17.05 -13.42 H 18.32 -11.50 C:21 13.23 -6.12 C:23 22.97 -12.00 C:23 24.82 -10.39 C:19 17.82 -8.13 C:27 13.23 -11.65 C:18 17.05 -9.55 O 15.76 -6.12 O 14.53 -16.69 O 14.53 -10.98 O 9.63 -15.30 C:138 15.76 -14.58 C:135 11.99 -15.30 C:24 21.07 -9.93 C:61 15.76 -8.87 C:39 22.47 -9.63 C:35 20.15 -8.87 C:27 10.78 -13.09 C:25 11.99 -12.36 C:37 15.76 -10.23 C:27 18.32 -12.76 C:26 19.14 -11.65 O 14.53 -8.19 C:171 14.53 -6.79 C:188 14.53 -15.30 C:200 14.53 -12.36 C:141 13.23 -14.58 C:153 15.76 -13.09 C:28 23.41 -10.72 C:63 10.78 -14.58 C:35 18.76 -9.18 C:49 13.23 -13.09 C:44 17.05 -12.36 C:51 18.32 -10.51 C:48 17.05 -10.98 34 1 -2 35 2 -2 3 25 1 4 30 1 5 30 1 32 6 -2 33 7 -1 36 8 -1 9 25 2 10 26 2 11 27 2 31 12 -2 13 26 1 13 29 2 14 28 2 14 31 1 15 17 1 15 18 1 16 21 1 16 24 1 17 30 1 18 32 1 19 20 1 19 31 1 20 33 1 36 21 -2 22 23 1 22 34 1 23 35 1 24 25 1 26 28 1 27 29 1 27 33 1 28 33 1 29 34 1 32 35 1 34 36 1 35 36 1', 'C29H44O5', 472.323, 'C', 'np08_420_13', 3686, '', '', '1', 47, NULL, NULL),
(14377, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:14]4([C:8]3=[CH:7][C:6](=O)[C:5]2=[CH:4][C@H:3](O[C:3001](=O)[C@:3002](O[CH3:3003])([c:3201]1[cH:3202][cH:3203][cH:3204][cH:3205][cH:3206]1)[C:3207](F)(F)F)[CH2:2][CH2:1][C@:10]2([CH3:19])[C:9]3=O)[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[C@@:13]4([CH3:18])[CH2:12][CH2:11]O[C:11001]([CH3:11002])=O', '[H][C@@]4(C3=CC(=O)C2=C[C@H](OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC[C@]2(C)C3=O)CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CCOC(C)=O', '[H][C@@:44]4([C:154]3=[CH:138][C:186](=O)[C:143]2=[CH:130][C@H:68](O[C:166](=O)[C@:122](O[CH3:55])([c:133]1[cH:127][cH:130][cH:129][cH:130][cH:127]1)[C:124](F)(F)F)[CH2:24][CH2:25][C@:49]2([CH3:26])[C:200]3=O)[CH2:27][CH2:26][C@:51]([H])([C@H:35]([CH3:19])[CH2:35][CH2:25][CH2:39][CH:28]([CH3:23])[CH3:23])[C@@:48]4([CH3:18])[CH2:37][CH2:61]O[C:171]([CH3:21])=O', '51 54 H 19.49 -11.97 H 20.77 -10.06 C:3003 7.33 -15.42 C:11002 15.68 -4.70 C:26 27.29 -8.94 C:27 25.43 -10.55 C:21 20.27 -6.70 C:19 15.68 -10.21 C:18 19.49 -8.11 O 18.21 -4.70 O 16.95 -15.27 O 10.81 -11.80 O 16.95 -9.54 F 7.20 -13.99 F 7.20 -12.61 F 8.40 -11.86 C:7 18.21 -13.15 C:4 14.43 -13.87 C:3204 9.75 -18.13 C:3203 10.93 -17.40 C:3205 8.52 -17.47 C:3202 10.93 -16.00 C:3206 8.52 -16.07 C:23 23.52 -8.49 C:11 18.21 -7.44 C:24 24.92 -8.19 C:22 22.59 -7.44 C:2 13.21 -11.64 C:1 14.43 -10.90 C:15 20.77 -11.30 C:12 18.21 -8.78 C:16 21.59 -10.21 O 8.52 -14.67 O 16.96 -6.76 O 12.03 -13.87 C:11001 16.95 -5.37 C:6 16.96 -13.87 C:3001 10.81 -13.27 C:9 16.96 -10.90 C:8 18.21 -11.64 C:5 15.68 -13.15 C:3201 9.67 -15.34 C:25 25.87 -9.27 C:20 21.20 -7.76 C:3 13.21 -13.15 C:3207 8.40 -13.27 C:10 15.68 -11.64 C:14 19.49 -10.90 C:17 20.77 -9.06 C:13 19.49 -9.54 C:3002 9.67 -13.94 48 1 -2 49 2 -2 3 33 1 4 36 1 5 43 1 6 43 1 44 7 -2 47 8 -1 50 9 -1 10 36 2 11 37 2 12 38 2 13 39 2 14 46 1 15 46 1 16 46 1 17 37 1 17 40 2 18 41 2 18 45 1 19 20 1 19 21 2 20 22 2 21 23 1 22 42 1 23 42 2 24 26 1 24 27 1 25 31 1 25 34 1 26 43 1 27 44 1 28 29 1 28 45 1 29 47 1 30 32 1 30 48 1 50 31 -2 32 49 1 51 33 -1 34 36 1 35 38 1 45 35 -2 37 41 1 38 51 1 39 40 1 39 47 1 40 48 1 41 47 1 42 51 1 44 49 1 51 46 -2 48 50 1 49 50 1', '51 54 H 19.49 -11.97 H 20.77 -10.06 C 7.33 -15.42 C 15.68 -4.70 C 27.29 -8.94 C 25.43 -10.55 C 20.27 -6.70 C 15.68 -10.21 C 19.49 -8.11 O 18.21 -4.70 O 16.95 -15.27 O 10.81 -11.80 O 16.95 -9.54 F 7.20 -13.99 F 7.20 -12.61 F 8.40 -11.86 C 18.21 -13.15 C 14.43 -13.87 C 9.75 -18.13 C 10.93 -17.40 C 8.52 -17.47 C 10.93 -16.00 C 8.52 -16.07 C 23.52 -8.49 C 18.21 -7.44 C 24.92 -8.19 C 22.59 -7.44 C 13.21 -11.64 C 14.43 -10.90 C 20.77 -11.30 C 18.21 -8.78 C 21.59 -10.21 O 8.52 -14.67 O 16.96 -6.76 O 12.03 -13.87 C 16.95 -5.37 C 16.96 -13.87 C 10.81 -13.27 C 16.96 -10.90 C 18.21 -11.64 C 15.68 -13.15 C 9.67 -15.34 C 25.87 -9.27 C 21.20 -7.76 C 13.21 -13.15 C 8.40 -13.27 C 15.68 -11.64 C 19.49 -10.90 C 20.77 -9.06 C 19.49 -9.54 C 9.67 -13.94 48 1 -2 49 2 -2 3 33 1 4 36 1 5 43 1 6 43 1 44 7 -2 47 8 -1 50 9 -1 10 36 2 11 37 2 12 38 2 13 39 2 14 46 1 15 46 1 16 46 1 17 37 1 17 40 2 18 41 2 18 45 1 19 20 1 19 21 2 20 22 2 21 23 1 22 42 1 23 42 2 24 26 1 24 27 1 25 31 1 25 34 1 26 43 1 27 44 1 28 29 1 28 45 1 29 47 1 30 32 1 30 48 1 50 31 -2 32 49 1 51 33 -1 34 36 1 35 38 1 45 35 -2 37 41 1 38 51 1 39 40 1 39 47 1 40 48 1 41 47 1 42 51 1 44 49 1 51 46 -2 48 50 1 49 50 1', '51 54 H 19.49 -11.97 H 20.77 -10.06 C:55 7.33 -15.42 C:21 15.68 -4.70 C:23 27.29 -8.94 C:23 25.43 -10.55 C:19 20.27 -6.70 C:26 15.68 -10.21 C:18 19.49 -8.11 O 18.21 -4.70 O 16.95 -15.27 O 10.81 -11.80 O 16.95 -9.54 F 7.20 -13.99 F 7.20 -12.61 F 8.40 -11.86 C:138 18.21 -13.15 C:130 14.43 -13.87 C:129 9.75 -18.13 C:130 10.93 -17.40 C:130 8.52 -17.47 C:127 10.93 -16.00 C:127 8.52 -16.07 C:25 23.52 -8.49 C:61 18.21 -7.44 C:39 24.92 -8.19 C:35 22.59 -7.44 C:24 13.21 -11.64 C:25 14.43 -10.90 C:27 20.77 -11.30 C:37 18.21 -8.78 C:26 21.59 -10.21 O 8.52 -14.67 O 16.96 -6.76 O 12.03 -13.87 C:171 16.95 -5.37 C:186 16.96 -13.87 C:166 10.81 -13.27 C:200 16.96 -10.90 C:154 18.21 -11.64 C:143 15.68 -13.15 C:133 9.67 -15.34 C:28 25.87 -9.27 C:35 21.20 -7.76 C:68 13.21 -13.15 C:124 8.40 -13.27 C:49 15.68 -11.64 C:44 19.49 -10.90 C:51 20.77 -9.06 C:48 19.49 -9.54 C:122 9.67 -13.94 48 1 -2 49 2 -2 3 33 1 4 36 1 5 43 1 6 43 1 44 7 -2 47 8 -1 50 9 -1 10 36 2 11 37 2 12 38 2 13 39 2 14 46 1 15 46 1 16 46 1 17 37 1 17 40 2 18 41 2 18 45 1 19 20 1 19 21 2 20 22 2 21 23 1 22 42 1 23 42 2 24 26 1 24 27 1 25 31 1 25 34 1 26 43 1 27 44 1 28 29 1 28 45 1 29 47 1 30 32 1 30 48 1 50 31 -2 32 49 1 51 33 -1 34 36 1 35 38 1 45 35 -2 37 41 1 38 51 1 39 40 1 39 47 1 40 48 1 41 47 1 42 51 1 44 49 1 51 46 -2 48 50 1 49 50 1', 'C39H51F3O7', 688.424, 'C', 'np08_420_15', 3686, '', '', '1', 47, NULL, NULL),
(14378, '', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:14]4([C:8]3=[CH:7][C:6](=O)[C:5]2=[CH:4][C@H:3](O[C:3001](=O)[C@@:3002](O[CH3:3003])([c:3201]1[cH:3202][cH:3203][cH:3204][cH:3205][cH:3206]1)[C:3207](F)(F)F)[CH2:2][CH2:1][C@:10]2([CH3:19])[C:9]3=O)[CH2:15][CH2:16][C@:17]([H])([C@H:20]([CH3:21])[CH2:22][CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[C@@:13]4([CH3:18])[CH2:12][CH2:11]O[C:11001]([CH3:11002])=O', '[H][C@@]4(C3=CC(=O)C2=C[C@H](OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)CC[C@]2(C)C3=O)CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CCOC(C)=O', '[H][C@@:44]4([C:154]3=[CH:138][C:187](=O)[C:143]2=[CH:130][C@H:68](O[C:166](=O)[C@@:122](O[CH3:55])([c:133]1[cH:130][cH:127][cH:129][cH:130][cH:127]1)[C:124](F)(F)F)[CH2:24][CH2:25][C@:49]2([CH3:27])[C:200]3=O)[CH2:27][CH2:26][C@:51]([H])([C@H:35]([CH3:19])[CH2:35][CH2:24][CH2:39][CH:28]([CH3:23])[CH3:23])[C@@:48]4([CH3:18])[CH2:37][CH2:61]O[C:170]([CH3:21])=O', '51 54 H 19.50 -11.97 H 20.77 -10.06 C:3003 7.34 -15.42 C:11002 15.67 -4.70 C:26 27.29 -8.94 C:27 25.43 -10.55 C:21 20.28 -6.70 C:19 15.67 -10.21 C:18 19.50 -8.11 O 18.21 -4.70 O 16.96 -15.27 O 10.80 -11.80 O 16.96 -9.54 F 7.21 -13.99 F 7.21 -12.61 F 8.39 -11.86 C:7 18.21 -13.15 C:4 14.43 -13.87 C:3204 9.75 -18.13 C:3203 10.92 -17.40 C:3205 8.51 -17.47 C:3202 10.92 -16.00 C:3206 8.51 -16.07 C:23 23.51 -8.49 C:11 18.21 -7.44 C:24 24.92 -8.19 C:22 22.60 -7.44 C:2 13.20 -11.64 C:1 14.43 -10.90 C:15 20.77 -11.30 C:12 18.21 -8.78 C:16 21.59 -10.21 O 8.51 -14.67 O 16.96 -6.76 O 12.03 -13.87 C:11001 16.96 -5.36 C:6 16.96 -13.87 C:3001 10.80 -13.27 C:9 16.96 -10.90 C:8 18.21 -11.64 C:5 15.67 -13.15 C:3201 9.67 -15.34 C:25 25.86 -9.27 C:20 21.20 -7.75 C:3 13.20 -13.15 C:3207 8.39 -13.27 C:10 15.67 -11.64 C:14 19.50 -10.90 C:17 20.77 -9.06 C:13 19.50 -9.54 C:3002 9.67 -13.94 48 1 -2 49 2 -2 3 33 1 4 36 1 5 43 1 6 43 1 44 7 -2 47 8 -1 50 9 -1 10 36 2 11 37 2 12 38 2 13 39 2 14 46 1 15 46 1 16 46 1 17 37 1 17 40 2 18 41 2 18 45 1 19 20 1 19 21 2 20 22 2 21 23 1 22 42 1 23 42 2 24 26 1 24 27 1 25 31 1 25 34 1 26 43 1 27 44 1 28 29 1 28 45 1 29 47 1 30 32 1 30 48 1 50 31 -2 32 49 1 51 33 -2 34 36 1 35 38 1 45 35 -2 37 41 1 38 51 1 39 40 1 39 47 1 40 48 1 41 47 1 42 51 1 44 49 1 51 46 -1 48 50 1 49 50 1', '51 54 H 19.50 -11.97 H 20.77 -10.06 C 7.34 -15.42 C 15.67 -4.70 C 27.29 -8.94 C 25.43 -10.55 C 20.28 -6.70 C 15.67 -10.21 C 19.50 -8.11 O 18.21 -4.70 O 16.96 -15.27 O 10.80 -11.80 O 16.96 -9.54 F 7.21 -13.99 F 7.21 -12.61 F 8.39 -11.86 C 18.21 -13.15 C 14.43 -13.87 C 9.75 -18.13 C 10.92 -17.40 C 8.51 -17.47 C 10.92 -16.00 C 8.51 -16.07 C 23.51 -8.49 C 18.21 -7.44 C 24.92 -8.19 C 22.60 -7.44 C 13.20 -11.64 C 14.43 -10.90 C 20.77 -11.30 C 18.21 -8.78 C 21.59 -10.21 O 8.51 -14.67 O 16.96 -6.76 O 12.03 -13.87 C 16.96 -5.36 C 16.96 -13.87 C 10.80 -13.27 C 16.96 -10.90 C 18.21 -11.64 C 15.67 -13.15 C 9.67 -15.34 C 25.86 -9.27 C 21.20 -7.75 C 13.20 -13.15 C 8.39 -13.27 C 15.67 -11.64 C 19.50 -10.90 C 20.77 -9.06 C 19.50 -9.54 C 9.67 -13.94 48 1 -2 49 2 -2 3 33 1 4 36 1 5 43 1 6 43 1 44 7 -2 47 8 -1 50 9 -1 10 36 2 11 37 2 12 38 2 13 39 2 14 46 1 15 46 1 16 46 1 17 37 1 17 40 2 18 41 2 18 45 1 19 20 1 19 21 2 20 22 2 21 23 1 22 42 1 23 42 2 24 26 1 24 27 1 25 31 1 25 34 1 26 43 1 27 44 1 28 29 1 28 45 1 29 47 1 30 32 1 30 48 1 50 31 -2 32 49 1 51 33 -2 34 36 1 35 38 1 45 35 -2 37 41 1 38 51 1 39 40 1 39 47 1 40 48 1 41 47 1 42 51 1 44 49 1 51 46 -1 48 50 1 49 50 1', '51 54 H 19.50 -11.97 H 20.77 -10.06 C:55 7.34 -15.42 C:21 15.67 -4.70 C:23 27.29 -8.94 C:23 25.43 -10.55 C:19 20.28 -6.70 C:27 15.67 -10.21 C:18 19.50 -8.11 O 18.21 -4.70 O 16.96 -15.27 O 10.80 -11.80 O 16.96 -9.54 F 7.21 -13.99 F 7.21 -12.61 F 8.39 -11.86 C:138 18.21 -13.15 C:130 14.43 -13.87 C:129 9.75 -18.13 C:127 10.92 -17.40 C:130 8.51 -17.47 C:130 10.92 -16.00 C:127 8.51 -16.07 C:24 23.51 -8.49 C:61 18.21 -7.44 C:39 24.92 -8.19 C:35 22.60 -7.44 C:24 13.20 -11.64 C:25 14.43 -10.90 C:27 20.77 -11.30 C:37 18.21 -8.78 C:26 21.59 -10.21 O 8.51 -14.67 O 16.96 -6.76 O 12.03 -13.87 C:170 16.96 -5.36 C:187 16.96 -13.87 C:166 10.80 -13.27 C:200 16.96 -10.90 C:154 18.21 -11.64 C:143 15.67 -13.15 C:133 9.67 -15.34 C:28 25.86 -9.27 C:35 21.20 -7.75 C:68 13.20 -13.15 C:124 8.39 -13.27 C:49 15.67 -11.64 C:44 19.50 -10.90 C:51 20.77 -9.06 C:48 19.50 -9.54 C:122 9.67 -13.94 48 1 -2 49 2 -2 3 33 1 4 36 1 5 43 1 6 43 1 44 7 -2 47 8 -1 50 9 -1 10 36 2 11 37 2 12 38 2 13 39 2 14 46 1 15 46 1 16 46 1 17 37 1 17 40 2 18 41 2 18 45 1 19 20 1 19 21 2 20 22 2 21 23 1 22 42 1 23 42 2 24 26 1 24 27 1 25 31 1 25 34 1 26 43 1 27 44 1 28 29 1 28 45 1 29 47 1 30 32 1 30 48 1 50 31 -2 32 49 1 51 33 -2 34 36 1 35 38 1 45 35 -2 37 41 1 38 51 1 39 40 1 39 47 1 40 48 1 41 47 1 42 51 1 44 49 1 51 46 -1 48 50 1 49 50 1', 'C39H51F3O7', 688.424, 'C', 'np08_420_16', 3686, '', '', '1', 47, NULL, NULL),
(14379, '', '8α,13(R,S)-Diacetoxy-14,15-dinor-labdane', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O[C:8001]([CH3:8002])=O)[C@H:9]([CH2:11][CH2:12][C@H:13]([CH3:16])O[C:13001]([CH3:13002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@@](C)(OC(C)=O)[C@H](CC[C@H](C)OC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:20][CH2:42][C@@:88]([CH3:23])(O[C:170]([CH3:22])=O)[C@H:59]([CH2:21][CH2:39][C@H:71]([CH3:20])O[C:170]([CH3:22])=O)[C@@:40]1([CH3:16])[CH2:39][CH2:18][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '27 28 H 15.48 -15.74 C:13002 15.48 -6.30 C:8002 21.45 -14.61 C:16 19.17 -8.41 C:19 13.31 -16.54 C:18 15.20 -16.54 C:17 18.66 -12.17 C:20 15.48 -11.95 O 17.95 -6.30 O 19.34 -15.81 C:2 13.02 -13.38 C:12 17.95 -10.53 C:11 16.71 -11.23 C:3 13.02 -14.80 C:1 14.26 -12.66 C:7 17.95 -14.80 C:6 16.71 -15.51 O 16.71 -8.41 O 19.34 -13.38 C:13001 16.71 -7.00 C:8001 20.05 -14.61 C:13 17.95 -9.12 C:9 16.71 -12.66 C:4 14.26 -15.51 C:8 17.95 -13.38 C:5 15.48 -14.80 C:10 15.48 -13.38 26 1 -2 2 20 1 3 21 1 4 22 1 24 5 -1 24 6 -2 25 7 -1 27 8 -1 9 20 2 10 21 2 11 14 1 11 15 1 12 13 1 12 22 1 23 13 -1 14 24 1 15 27 1 16 17 1 16 25 1 17 26 1 18 20 1 22 18 -1 19 21 1 25 19 -2 23 25 1 23 27 1 24 26 1 26 27 1', '27 28 H 15.48 -15.74 C 15.48 -6.30 C 21.45 -14.61 C 19.17 -8.41 C 13.31 -16.54 C 15.20 -16.54 C 18.66 -12.17 C 15.48 -11.95 O 17.95 -6.30 O 19.34 -15.81 C 13.02 -13.38 C 17.95 -10.53 C 16.71 -11.23 C 13.02 -14.80 C 14.26 -12.66 C 17.95 -14.80 C 16.71 -15.51 O 16.71 -8.41 O 19.34 -13.38 C 16.71 -7.00 C 20.05 -14.61 C 17.95 -9.12 C 16.71 -12.66 C 14.26 -15.51 C 17.95 -13.38 C 15.48 -14.80 C 15.48 -13.38 26 1 -2 2 20 1 3 21 1 4 22 1 24 5 -1 24 6 -2 25 7 -1 27 8 -1 9 20 2 10 21 2 11 14 1 11 15 1 12 13 1 12 22 1 23 13 -1 14 24 1 15 27 1 16 17 1 16 25 1 17 26 1 18 20 1 22 18 -1 19 21 1 25 19 -2 23 25 1 23 27 1 24 26 1 26 27 1', '27 28 H 15.48 -15.74 C:22 15.48 -6.30 C:22 21.45 -14.61 C:20 19.17 -8.41 C:22 13.31 -16.54 C:33 15.20 -16.54 C:23 18.66 -12.17 C:16 15.48 -11.95 O 17.95 -6.30 O 19.34 -15.81 C:18 13.02 -13.38 C:39 17.95 -10.53 C:21 16.71 -11.23 C:42 13.02 -14.80 C:39 14.26 -12.66 C:42 17.95 -14.80 C:20 16.71 -15.51 O 16.71 -8.41 O 19.34 -13.38 C:170 16.71 -7.00 C:170 20.05 -14.61 C:71 17.95 -9.12 C:59 16.71 -12.66 C:33 14.26 -15.51 C:88 17.95 -13.38 C:56 15.48 -14.80 C:40 15.48 -13.38 26 1 -2 2 20 1 3 21 1 4 22 1 24 5 -1 24 6 -2 25 7 -1 27 8 -1 9 20 2 10 21 2 11 14 1 11 15 1 12 13 1 12 22 1 23 13 -1 14 24 1 15 27 1 16 17 1 16 25 1 17 26 1 18 20 1 22 18 -1 19 21 1 25 19 -2 23 25 1 23 27 1 24 26 1 26 27 1', 'C22H38O4', 366.241, 'C', 'tt07_11838_2', 3687, '', '', '1', 47, NULL, NULL),
(14380, '', '8α,13(R,S)-Diacetoxy-14,15-dinor-labdane', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C@@:8]([CH3:17])(O[C:8001]([CH3:8002])=O)[C@H:9]([CH2:11][CH2:12][C@@H:13]([CH3:16])O[C:13001]([CH3:13002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CC[C@@](C)(OC(C)=O)[C@H](CC[C@@H](C)OC(C)=O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:20][CH2:42][C@@:88]([CH3:23])(O[C:170]([CH3:22])=O)[C@H:58]([CH2:21][CH2:39][C@@H:71]([CH3:20])O[C:170]([CH3:22])=O)[C@@:40]1([CH3:16])[CH2:39][CH2:18][CH2:42][C@:33]2([CH3:33])[CH3:22]', '27 28 H 15.53 -15.73 C:13002 15.53 -6.29 C:8002 21.49 -14.60 C:16 19.21 -8.40 C:18 15.25 -16.53 C:19 13.35 -16.53 C:17 18.70 -12.15 C:20 15.53 -11.94 O 17.99 -6.29 O 19.38 -15.80 C:2 13.06 -13.36 C:12 17.99 -10.52 C:11 16.76 -11.22 C:3 13.06 -14.79 C:1 14.31 -12.64 C:7 17.99 -14.79 C:6 16.76 -15.50 O 16.76 -8.40 O 19.38 -13.36 C:13001 16.76 -6.99 C:8001 20.09 -14.60 C:13 17.99 -9.11 C:9 16.76 -12.64 C:4 14.31 -15.50 C:8 17.99 -13.36 C:5 15.53 -14.79 C:10 15.53 -13.36 26 1 -2 2 20 1 3 21 1 4 22 1 24 5 -2 24 6 -1 25 7 -1 27 8 -1 9 20 2 10 21 2 11 14 1 11 15 1 12 13 1 12 22 1 23 13 -1 14 24 1 15 27 1 16 17 1 16 25 1 17 26 1 18 20 1 22 18 -2 19 21 1 25 19 -2 23 25 1 23 27 1 24 26 1 26 27 1', '27 28 H 15.53 -15.73 C 15.53 -6.29 C 21.49 -14.60 C 19.21 -8.40 C 15.25 -16.53 C 13.35 -16.53 C 18.70 -12.15 C 15.53 -11.94 O 17.99 -6.29 O 19.38 -15.80 C 13.06 -13.36 C 17.99 -10.52 C 16.76 -11.22 C 13.06 -14.79 C 14.31 -12.64 C 17.99 -14.79 C 16.76 -15.50 O 16.76 -8.40 O 19.38 -13.36 C 16.76 -6.99 C 20.09 -14.60 C 17.99 -9.11 C 16.76 -12.64 C 14.31 -15.50 C 17.99 -13.36 C 15.53 -14.79 C 15.53 -13.36 26 1 -2 2 20 1 3 21 1 4 22 1 24 5 -2 24 6 -1 25 7 -1 27 8 -1 9 20 2 10 21 2 11 14 1 11 15 1 12 13 1 12 22 1 23 13 -1 14 24 1 15 27 1 16 17 1 16 25 1 17 26 1 18 20 1 22 18 -2 19 21 1 25 19 -2 23 25 1 23 27 1 24 26 1 26 27 1', '27 28 H 15.53 -15.73 C:22 15.53 -6.29 C:22 21.49 -14.60 C:20 19.21 -8.40 C:33 15.25 -16.53 C:22 13.35 -16.53 C:23 18.70 -12.15 C:16 15.53 -11.94 O 17.99 -6.29 O 19.38 -15.80 C:18 13.06 -13.36 C:39 17.99 -10.52 C:21 16.76 -11.22 C:42 13.06 -14.79 C:39 14.31 -12.64 C:42 17.99 -14.79 C:20 16.76 -15.50 O 16.76 -8.40 O 19.38 -13.36 C:170 16.76 -6.99 C:170 20.09 -14.60 C:71 17.99 -9.11 C:58 16.76 -12.64 C:33 14.31 -15.50 C:88 17.99 -13.36 C:56 15.53 -14.79 C:40 15.53 -13.36 26 1 -2 2 20 1 3 21 1 4 22 1 24 5 -2 24 6 -1 25 7 -1 27 8 -1 9 20 2 10 21 2 11 14 1 11 15 1 12 13 1 12 22 1 23 13 -1 14 24 1 15 27 1 16 17 1 16 25 1 17 26 1 18 20 1 22 18 -2 19 21 1 25 19 -2 23 25 1 23 27 1 24 26 1 26 27 1', 'C22H38O4', 366.241, 'C+C', 'tt07_11838_2', 3687, '', '', '1', 47, NULL, NULL),
(14381, '', '14,15-Dinor-labd-8(17)-en-13-one', '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@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=C)[C@H](CCC(C)=O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:22][CH2:39][C:149](=[CH2:107])[C@H:56]([CH2:25][CH2:43][C:210]([CH3:30])=O)[C@@:40]1([CH3:15])[CH2:39][CH2:20][CH2:42][C@:34]2([CH3:34])[CH3:22]', '20 21 H 16.61 -14.70 C:17 20.30 -11.60 C:16 20.30 -7.35 C:18 16.33 -15.50 C:19 14.44 -15.50 C:20 16.61 -10.89 O 17.85 -7.35 C:2 14.15 -12.32 C:12 19.09 -9.47 C:7 19.09 -13.75 C:11 17.85 -10.17 C:3 14.15 -13.75 C:1 15.39 -11.60 C:6 17.85 -14.47 C:13 19.09 -8.06 C:8 19.09 -12.32 C:9 17.85 -11.60 C:4 15.39 -14.47 C:5 16.61 -13.75 C:10 16.61 -12.32 19 1 -2 2 16 2 3 15 1 18 4 -2 18 5 -1 20 6 -1 7 15 2 8 12 1 8 13 1 9 11 1 9 15 1 10 14 1 10 16 1 17 11 -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 16.61 -14.70 C 20.30 -11.60 C 20.30 -7.35 C 16.33 -15.50 C 14.44 -15.50 C 16.61 -10.89 O 17.85 -7.35 C 14.15 -12.32 C 19.09 -9.47 C 19.09 -13.75 C 17.85 -10.17 C 14.15 -13.75 C 15.39 -11.60 C 17.85 -14.47 C 19.09 -8.06 C 19.09 -12.32 C 17.85 -11.60 C 15.39 -14.47 C 16.61 -13.75 C 16.61 -12.32 19 1 -2 2 16 2 3 15 1 18 4 -2 18 5 -1 20 6 -1 7 15 2 8 12 1 8 13 1 9 11 1 9 15 1 10 14 1 10 16 1 17 11 -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 16.61 -14.70 C:107 20.30 -11.60 C:30 20.30 -7.35 C:34 16.33 -15.50 C:22 14.44 -15.50 C:15 16.61 -10.89 O 17.85 -7.35 C:20 14.15 -12.32 C:43 19.09 -9.47 C:39 19.09 -13.75 C:25 17.85 -10.17 C:42 14.15 -13.75 C:39 15.39 -11.60 C:22 17.85 -14.47 C:210 19.09 -8.06 C:149 19.09 -12.32 C:56 17.85 -11.60 C:34 15.39 -14.47 C:56 16.61 -13.75 C:40 16.61 -12.32 19 1 -2 2 16 2 3 15 1 18 4 -2 18 5 -1 20 6 -1 7 15 2 8 12 1 8 13 1 9 11 1 9 15 1 10 14 1 10 16 1 17 11 -1 12 18 1 13 20 1 14 19 1 16 17 1 17 20 1 18 19 1 19 20 1', 'C18H30O', 262.2, 'C', 'tt07_11838_5a', 3687, '', '', '1', 47, NULL, NULL),
(14382, '', '7,8-Epoxy-14,15-dinor-labdan-13-one:', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][C@H:7]1O[C@@:8]1([CH3:17])[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C[C@H]1O[C@@]1(C)[C@H](CCC(C)=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:55]23[CH2:23][C@H:61]1O[C@@:59]1([CH3:23])[C@H:46]([CH2:20][CH2:46][C:208]([CH3:30])=O)[C@@:36]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]3([CH3:22])[CH3:33]', '21 23 H 16.61 -14.69 C:16 20.30 -7.36 C:19 14.43 -15.49 C:18 16.33 -15.49 C:20 16.61 -10.89 C:17 20.30 -11.60 O 17.85 -7.36 C:2 14.14 -12.32 C:12 19.09 -9.48 C:11 17.85 -10.17 C:3 14.14 -13.74 C:1 15.39 -11.60 C:6 17.85 -14.46 O 20.30 -13.03 C:13 19.09 -8.07 C:7 19.09 -13.74 C:9 17.85 -11.60 C:4 15.39 -14.46 C:5 16.61 -13.74 C:10 16.61 -12.32 C:8 19.09 -12.32 19 1 -2 2 15 1 18 3 -1 18 4 -2 20 5 -1 21 6 -1 7 15 2 8 11 1 8 12 1 9 10 1 9 15 1 17 10 -1 11 18 1 12 20 1 13 16 1 13 19 1 16 14 -2 14 21 1 16 21 1 17 20 1 17 21 1 18 19 1 19 20 1', '21 23 H 16.61 -14.69 C 20.30 -7.36 C 14.43 -15.49 C 16.33 -15.49 C 16.61 -10.89 C 20.30 -11.60 O 17.85 -7.36 C 14.14 -12.32 C 19.09 -9.48 C 17.85 -10.17 C 14.14 -13.74 C 15.39 -11.60 C 17.85 -14.46 O 20.30 -13.03 C 19.09 -8.07 C 19.09 -13.74 C 17.85 -11.60 C 15.39 -14.46 C 16.61 -13.74 C 16.61 -12.32 C 19.09 -12.32 19 1 -2 2 15 1 18 3 -1 18 4 -2 20 5 -1 21 6 -1 7 15 2 8 11 1 8 12 1 9 10 1 9 15 1 17 10 -1 11 18 1 12 20 1 13 16 1 13 19 1 16 14 -2 14 21 1 16 21 1 17 20 1 17 21 1 18 19 1 19 20 1', '21 23 H 16.61 -14.69 C:30 20.30 -7.36 C:22 14.43 -15.49 C:33 16.33 -15.49 C:14 16.61 -10.89 C:23 20.30 -11.60 O 17.85 -7.36 C:19 14.14 -12.32 C:46 19.09 -9.48 C:20 17.85 -10.17 C:42 14.14 -13.74 C:39 15.39 -11.60 C:23 17.85 -14.46 O 20.30 -13.03 C:208 19.09 -8.07 C:61 19.09 -13.74 C:46 17.85 -11.60 C:33 15.39 -14.46 C:55 16.61 -13.74 C:36 16.61 -12.32 C:59 19.09 -12.32 19 1 -2 2 15 1 18 3 -1 18 4 -2 20 5 -1 21 6 -1 7 15 2 8 11 1 8 12 1 9 10 1 9 15 1 17 10 -1 11 18 1 12 20 1 13 16 1 13 19 1 16 14 -2 14 21 1 16 21 1 17 20 1 17 21 1 18 19 1 19 20 1', 'C18H30O2', 278.199, 'C', 'tt07_11838_6a', 3687, '', '', '1', 47, NULL, NULL),
(14383, '', '8,9-Epoxy-14,15-dinor-labdan-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]1([CH3:17])O[C@@:9]1([CH2:11][CH2:12][C:13]([CH3:16])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC[C@@]1(C)O[C@@]1(CCC(C)=O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:43]23[CH2:19][CH2:29][C@@:63]1([CH3:22])O[C@@:71]1([CH2:29][CH2:41][C:209]([CH3:30])=O)[C@@:39]2([CH3:17])[CH2:35][CH2:17][CH2:42][C@:33]3([CH3:34])[CH3:22]', '21 23 H 16.64 -14.66 C:16 20.32 -7.34 C:18 16.35 -15.46 C:19 14.46 -15.46 C:17 20.32 -11.58 C:20 16.64 -10.87 O 17.87 -7.34 C:2 14.17 -12.30 C:12 19.11 -9.46 C:3 14.17 -13.72 C:1 15.41 -11.58 C:7 19.11 -13.72 C:11 17.87 -10.15 C:6 17.87 -14.43 O 19.11 -10.87 C:13 19.11 -8.06 C:4 15.41 -14.43 C:8 19.11 -12.30 C:5 16.64 -13.72 C:10 16.64 -12.30 C:9 17.87 -11.58 19 1 -2 2 16 1 17 3 -2 17 4 -1 18 5 -1 20 6 -1 7 16 2 8 10 1 8 11 1 9 13 1 9 16 1 10 17 1 11 20 1 12 14 1 12 18 1 21 13 -1 14 19 1 15 18 1 15 21 1 17 19 1 18 21 1 19 20 1 20 21 1', '21 23 H 16.64 -14.66 C 20.32 -7.34 C 16.35 -15.46 C 14.46 -15.46 C 20.32 -11.58 C 16.64 -10.87 O 17.87 -7.34 C 14.17 -12.30 C 19.11 -9.46 C 14.17 -13.72 C 15.41 -11.58 C 19.11 -13.72 C 17.87 -10.15 C 17.87 -14.43 O 19.11 -10.87 C 19.11 -8.06 C 15.41 -14.43 C 19.11 -12.30 C 16.64 -13.72 C 16.64 -12.30 C 17.87 -11.58 19 1 -2 2 16 1 17 3 -2 17 4 -1 18 5 -1 20 6 -1 7 16 2 8 10 1 8 11 1 9 13 1 9 16 1 10 17 1 11 20 1 12 14 1 12 18 1 21 13 -1 14 19 1 15 18 1 15 21 1 17 19 1 18 21 1 19 20 1 20 21 1', '21 23 H 16.64 -14.66 C:30 20.32 -7.34 C:34 16.35 -15.46 C:22 14.46 -15.46 C:22 20.32 -11.58 C:17 16.64 -10.87 O 17.87 -7.34 C:17 14.17 -12.30 C:41 19.11 -9.46 C:42 14.17 -13.72 C:35 15.41 -11.58 C:29 19.11 -13.72 C:29 17.87 -10.15 C:19 17.87 -14.43 O 19.11 -10.87 C:209 19.11 -8.06 C:33 15.41 -14.43 C:63 19.11 -12.30 C:43 16.64 -13.72 C:39 16.64 -12.30 C:71 17.87 -11.58 19 1 -2 2 16 1 17 3 -2 17 4 -1 18 5 -1 20 6 -1 7 16 2 8 10 1 8 11 1 9 13 1 9 16 1 10 17 1 11 20 1 12 14 1 12 18 1 21 13 -1 14 19 1 15 18 1 15 21 1 17 19 1 18 21 1 19 20 1 20 21 1', 'C18H30O2', 278.199, 'C', 'tt07_11838_6b', 3687, '', '', '1', 47, NULL, NULL),
(14384, '', '8,17-Epoxy-14,15-dinor-labdan-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C@:8]1([CH2:17]O1)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CC[C@]1(CO1)[C@H](CCC(C)=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:53]23[CH2:22][CH2:37][C@:60]1([CH2:42]O1)[C@H:55]([CH2:16][CH2:45][C:210]([CH3:30])=O)[C@@:41]2([CH3:15])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:34]', '21 23 H 16.66 -14.68 C:16 20.36 -7.34 C:19 14.48 -15.48 C:18 16.37 -15.48 C:20 16.66 -10.89 O 17.90 -7.34 C:2 14.19 -12.32 C:12 19.14 -9.48 C:11 17.90 -10.17 C:3 14.19 -13.74 C:1 15.43 -11.60 C:6 17.90 -14.45 C:7 19.14 -13.74 C:17 20.36 -11.60 O 20.36 -13.00 C:13 19.14 -8.06 C:9 17.90 -11.60 C:4 15.43 -14.45 C:5 16.66 -13.74 C:10 16.66 -12.32 C:8 19.14 -12.32 19 1 -2 2 16 1 18 3 -1 18 4 -2 20 5 -1 6 16 2 7 10 1 7 11 1 8 9 1 8 16 1 17 9 -1 10 18 1 11 20 1 12 13 1 12 19 1 13 21 1 14 15 1 21 14 -1 21 15 -2 17 20 1 17 21 1 18 19 1 19 20 1', '21 23 H 16.66 -14.68 C 20.36 -7.34 C 14.48 -15.48 C 16.37 -15.48 C 16.66 -10.89 O 17.90 -7.34 C 14.19 -12.32 C 19.14 -9.48 C 17.90 -10.17 C 14.19 -13.74 C 15.43 -11.60 C 17.90 -14.45 C 19.14 -13.74 C 20.36 -11.60 O 20.36 -13.00 C 19.14 -8.06 C 17.90 -11.60 C 15.43 -14.45 C 16.66 -13.74 C 16.66 -12.32 C 19.14 -12.32 19 1 -2 2 16 1 18 3 -1 18 4 -2 20 5 -1 6 16 2 7 10 1 7 11 1 8 9 1 8 16 1 17 9 -1 10 18 1 11 20 1 12 13 1 12 19 1 13 21 1 14 15 1 21 14 -1 21 15 -2 17 20 1 17 21 1 18 19 1 19 20 1', '21 23 H 16.66 -14.68 C:30 20.36 -7.34 C:22 14.48 -15.48 C:34 16.37 -15.48 C:15 16.66 -10.89 O 17.90 -7.34 C:19 14.19 -12.32 C:45 19.14 -9.48 C:16 17.90 -10.17 C:42 14.19 -13.74 C:39 15.43 -11.60 C:22 17.90 -14.45 C:37 19.14 -13.74 C:42 20.36 -11.60 O 20.36 -13.00 C:210 19.14 -8.06 C:55 17.90 -11.60 C:34 15.43 -14.45 C:53 16.66 -13.74 C:41 16.66 -12.32 C:60 19.14 -12.32 19 1 -2 2 16 1 18 3 -1 18 4 -2 20 5 -1 6 16 2 7 10 1 7 11 1 8 9 1 8 16 1 17 9 -1 10 18 1 11 20 1 12 13 1 12 19 1 13 21 1 14 15 1 21 14 -1 21 15 -2 17 20 1 17 21 1 18 19 1 19 20 1', 'C18H30O2', 278.199, 'C', 'tt07_11838_6c', 3687, '', '', '1', 47, NULL, NULL),
(14385, '', '13-Trimethylsilyloxy-14,15-dinor-labda-8(17),13(16)-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13](=[CH2:16])O[Si]([CH3:13002])([CH3:13003])[CH3:13001])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(=C)[C@H](CCC(=C)OS(C)(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:22][CH2:39][C:149](=[CH2:107])[C@H:56]([CH2:25][CH2:36][C:160](=[CH2:90])O[Si]([CH3:9999])([CH3:9999])[CH3:9999])[C@@:40]1([CH3:15])[CH2:39][CH2:20][CH2:42][C@@:34]2([CH3:22])[CH3:34]', '24 25 H 16.64 -16.12 C:16 20.34 -8.78 C:17 20.34 -13.05 C:19 14.47 -16.91 C:18 16.36 -16.91 C:20 16.64 -12.34 C:13002 17.88 -5.98 C:13003 19.12 -6.68 C:13001 16.64 -6.68 C:2 14.18 -13.77 C:12 19.12 -10.92 C:7 19.12 -15.19 C:11 17.88 -11.61 C:3 14.18 -15.19 C:1 15.42 -13.05 C:6 17.88 -15.89 O 17.88 -8.78 C:13 19.12 -9.50 C:8 19.12 -13.77 C:9 17.88 -13.05 C:4 15.42 -15.89 C:5 16.64 -15.19 C:10 16.64 -13.77 Si 17.88 -7.38 22 1 -2 2 18 2 3 19 2 21 4 -1 21 5 -2 23 6 -1 7 24 1 8 24 1 9 24 1 10 14 1 10 15 1 11 13 1 11 18 1 12 16 1 12 19 1 20 13 -1 14 21 1 15 23 1 16 22 1 17 18 1 17 24 1 19 20 1 20 23 1 21 22 1 22 23 1', '24 25 H 16.64 -16.12 C 20.34 -8.78 C 20.34 -13.05 C 14.47 -16.91 C 16.36 -16.91 C 16.64 -12.34 C 17.88 -5.98 C 19.12 -6.68 C 16.64 -6.68 C 14.18 -13.77 C 19.12 -10.92 C 19.12 -15.19 C 17.88 -11.61 C 14.18 -15.19 C 15.42 -13.05 C 17.88 -15.89 O 17.88 -8.78 C 19.12 -9.50 C 19.12 -13.77 C 17.88 -13.05 C 15.42 -15.89 C 16.64 -15.19 C 16.64 -13.77 Si 17.88 -7.38 22 1 -2 2 18 2 3 19 2 21 4 -1 21 5 -2 23 6 -1 7 24 1 8 24 1 9 24 1 10 14 1 10 15 1 11 13 1 11 18 1 12 16 1 12 19 1 20 13 -1 14 21 1 15 23 1 16 22 1 17 18 1 17 24 1 19 20 1 20 23 1 21 22 1 22 23 1', '24 25 H 16.64 -16.12 C:90 20.34 -8.78 C:107 20.34 -13.05 C:22 14.47 -16.91 C:34 16.36 -16.91 C:15 16.64 -12.34 C 17.88 -5.98 C 19.12 -6.68 C 16.64 -6.68 C:20 14.18 -13.77 C:36 19.12 -10.92 C:39 19.12 -15.19 C:25 17.88 -11.61 C:42 14.18 -15.19 C:39 15.42 -13.05 C:22 17.88 -15.89 O 17.88 -8.78 C:160 19.12 -9.50 C:149 19.12 -13.77 C:56 17.88 -13.05 C:34 15.42 -15.89 C:56 16.64 -15.19 C:40 16.64 -13.77 Si 17.88 -7.38 22 1 -2 2 18 2 3 19 2 21 4 -1 21 5 -2 23 6 -1 7 24 1 8 24 1 9 24 1 10 14 1 10 15 1 11 13 1 11 18 1 12 16 1 12 19 1 20 13 -1 14 21 1 15 23 1 16 22 1 17 18 1 17 24 1 19 20 1 20 23 1 21 22 1 22 23 1', 'C21H38OS', 338.298, 'C', 'tt07_11838_7', 3687, '', '', '1', 47, NULL, NULL),
(14386, '', '16-Hydroxy-14,15-dinor-labd-8(17)-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13](=O)[CH2:16]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(=C)[C@H](CCC(=O)CO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:18][CH2:39][C:148](=[CH2:107])[C@H:57]([CH2:25][CH2:42][C:210](=O)[CH2:68]O)[C@@:40]1([CH3:15])[CH2:38][CH2:20][CH2:42][C@@:33]2([CH3:22])[CH3:34]', '21 22 H 16.60 -15.42 C:17 20.30 -12.34 C:19 14.43 -16.21 C:18 16.32 -16.21 C:20 16.60 -11.62 O 17.84 -8.06 O 20.30 -6.66 C:2 14.14 -13.06 C:16 20.30 -8.06 C:12 19.08 -10.20 C:7 19.08 -14.48 C:11 17.84 -10.89 C:3 14.14 -14.48 C:1 15.38 -12.34 C:6 17.84 -15.19 C:8 19.08 -13.06 C:13 19.08 -8.78 C:9 17.84 -12.34 C:4 15.38 -15.19 C:5 16.60 -14.48 C:10 16.60 -13.06 20 1 -2 2 16 2 19 3 -1 19 4 -2 21 5 -1 6 17 2 7 9 1 8 13 1 8 14 1 9 17 1 10 12 1 10 17 1 11 15 1 11 16 1 18 12 -1 13 19 1 14 21 1 15 20 1 16 18 1 18 21 1 19 20 1 20 21 1', '21 22 H 16.60 -15.42 C 20.30 -12.34 C 14.43 -16.21 C 16.32 -16.21 C 16.60 -11.62 O 17.84 -8.06 O 20.30 -6.66 C 14.14 -13.06 C 20.30 -8.06 C 19.08 -10.20 C 19.08 -14.48 C 17.84 -10.89 C 14.14 -14.48 C 15.38 -12.34 C 17.84 -15.19 C 19.08 -13.06 C 19.08 -8.78 C 17.84 -12.34 C 15.38 -15.19 C 16.60 -14.48 C 16.60 -13.06 20 1 -2 2 16 2 19 3 -1 19 4 -2 21 5 -1 6 17 2 7 9 1 8 13 1 8 14 1 9 17 1 10 12 1 10 17 1 11 15 1 11 16 1 18 12 -1 13 19 1 14 21 1 15 20 1 16 18 1 18 21 1 19 20 1 20 21 1', '21 22 H 16.60 -15.42 C:107 20.30 -12.34 C:22 14.43 -16.21 C:34 16.32 -16.21 C:15 16.60 -11.62 O 17.84 -8.06 O 20.30 -6.66 C:20 14.14 -13.06 C:68 20.30 -8.06 C:42 19.08 -10.20 C:39 19.08 -14.48 C:25 17.84 -10.89 C:42 14.14 -14.48 C:38 15.38 -12.34 C:18 17.84 -15.19 C:148 19.08 -13.06 C:210 19.08 -8.78 C:57 17.84 -12.34 C:33 15.38 -15.19 C:56 16.60 -14.48 C:40 16.60 -13.06 20 1 -2 2 16 2 19 3 -1 19 4 -2 21 5 -1 6 17 2 7 9 1 8 13 1 8 14 1 9 17 1 10 12 1 10 17 1 11 15 1 11 16 1 18 12 -1 13 19 1 14 21 1 15 20 1 16 18 1 18 21 1 19 20 1 20 21 1', 'C18H30O2', 278.199, 'C', 'tt07_11838_8', 3687, '', '', '1', 47, NULL, NULL),
(14387, '', 'Labda-8(17),13-dien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][C:15](=O)O[CH2:16]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCC(=C)[C@H](CCC1=CC(=O)OC1)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:56]23[CH2:21][CH2:39][C:149](=[CH2:107])[C@H:56]([CH2:25][CH2:28][C:171]1=[CH:115][C:174](=O)O[CH2:73]1)[C@@:40]2([CH3:15])[CH2:38][CH2:20][CH2:42][C@:34]3([CH3:33])[CH3:22]', '23 25 H 16.51 -16.00 C:17 20.20 -12.90 C:18 16.23 -16.80 C:19 14.32 -16.80 C:20 16.51 -12.19 O 20.48 -6.05 C:14 20.12 -8.52 C:2 14.04 -13.62 C:12 18.97 -10.77 C:7 18.97 -15.04 C:11 17.74 -11.48 C:16 17.84 -8.52 C:3 14.04 -15.04 C:1 15.28 -12.90 C:6 17.74 -15.76 O 18.27 -7.19 C:8 18.97 -13.62 C:15 19.67 -7.19 C:13 18.97 -9.35 C:9 17.74 -12.90 C:4 15.28 -15.76 C:5 16.51 -15.04 C:10 16.51 -13.62 22 1 -2 2 17 2 21 3 -2 21 4 -1 23 5 -1 6 18 2 7 18 1 7 19 2 8 13 1 8 14 1 9 11 1 9 19 1 10 15 1 10 17 1 20 11 -1 12 16 1 12 19 1 13 21 1 14 23 1 15 22 1 16 18 1 17 20 1 20 23 1 21 22 1 22 23 1', '23 25 H 16.51 -16.00 C 20.20 -12.90 C 16.23 -16.80 C 14.32 -16.80 C 16.51 -12.19 O 20.48 -6.05 C 20.12 -8.52 C 14.04 -13.62 C 18.97 -10.77 C 18.97 -15.04 C 17.74 -11.48 C 17.84 -8.52 C 14.04 -15.04 C 15.28 -12.90 C 17.74 -15.76 O 18.27 -7.19 C 18.97 -13.62 C 19.67 -7.19 C 18.97 -9.35 C 17.74 -12.90 C 15.28 -15.76 C 16.51 -15.04 C 16.51 -13.62 22 1 -2 2 17 2 21 3 -2 21 4 -1 23 5 -1 6 18 2 7 18 1 7 19 2 8 13 1 8 14 1 9 11 1 9 19 1 10 15 1 10 17 1 20 11 -1 12 16 1 12 19 1 13 21 1 14 23 1 15 22 1 16 18 1 17 20 1 20 23 1 21 22 1 22 23 1', '23 25 H 16.51 -16.00 C:107 20.20 -12.90 C:33 16.23 -16.80 C:22 14.32 -16.80 C:15 16.51 -12.19 O 20.48 -6.05 C:115 20.12 -8.52 C:20 14.04 -13.62 C:28 18.97 -10.77 C:39 18.97 -15.04 C:25 17.74 -11.48 C:73 17.84 -8.52 C:42 14.04 -15.04 C:38 15.28 -12.90 C:21 17.74 -15.76 O 18.27 -7.19 C:149 18.97 -13.62 C:174 19.67 -7.19 C:171 18.97 -9.35 C:56 17.74 -12.90 C:34 15.28 -15.76 C:56 16.51 -15.04 C:40 16.51 -13.62 22 1 -2 2 17 2 21 3 -2 21 4 -1 23 5 -1 6 18 2 7 18 1 7 19 2 8 13 1 8 14 1 9 11 1 9 19 1 10 15 1 10 17 1 20 11 -1 12 16 1 12 19 1 13 21 1 14 23 1 15 22 1 16 18 1 17 20 1 20 23 1 21 22 1 22 23 1', 'C20H30O2', 302.221, 'C', 'tt07_11838_9', 3687, '', '', '1', 47, NULL, NULL),
(14388, '', '16-Hydroxylabda-8(17),13-dien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][C:15](=O)O[CH:16]1O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCC(=C)[C@H](CCC1=CC(=O)OC1O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:56]23[CH2:21][CH2:39][C:148](=[CH2:106])[C@H:56]([CH2:25][CH2:27][C:170]1=[CH:117][C:171](=O)O[CH:98]1O)[C@@:40]2([CH3:14])[CH2:38][CH2:19][CH2:42][C@:34]3([CH3:34])[CH3:22]', '24 26 H 16.51 -16.00 C:17 20.20 -12.90 C:18 16.23 -16.80 C:19 14.32 -16.80 C:20 16.51 -12.19 O 20.48 -6.05 O 16.51 -8.95 C:14 20.12 -8.52 C:2 14.04 -13.62 C:12 18.97 -10.77 C:7 18.97 -15.04 C:11 17.74 -11.48 C:3 14.04 -15.04 C:1 15.28 -12.90 C:6 17.74 -15.76 O 18.27 -7.19 C:8 18.97 -13.62 C:15 19.67 -7.19 C:13 18.97 -9.35 C:16 17.84 -8.52 C:9 17.74 -12.90 C:4 15.28 -15.76 C:5 16.51 -15.04 C:10 16.51 -13.62 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 7 20 1 8 18 1 8 19 2 9 13 1 9 14 1 10 12 1 10 19 1 11 15 1 11 17 1 21 12 -1 13 22 1 14 24 1 15 23 1 16 18 1 16 20 1 17 21 1 19 20 1 21 24 1 22 23 1 23 24 1', '24 26 H 16.51 -16.00 C 20.20 -12.90 C 16.23 -16.80 C 14.32 -16.80 C 16.51 -12.19 O 20.48 -6.05 O 16.51 -8.95 C 20.12 -8.52 C 14.04 -13.62 C 18.97 -10.77 C 18.97 -15.04 C 17.74 -11.48 C 14.04 -15.04 C 15.28 -12.90 C 17.74 -15.76 O 18.27 -7.19 C 18.97 -13.62 C 19.67 -7.19 C 18.97 -9.35 C 17.84 -8.52 C 17.74 -12.90 C 15.28 -15.76 C 16.51 -15.04 C 16.51 -13.62 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 7 20 1 8 18 1 8 19 2 9 13 1 9 14 1 10 12 1 10 19 1 11 15 1 11 17 1 21 12 -1 13 22 1 14 24 1 15 23 1 16 18 1 16 20 1 17 21 1 19 20 1 21 24 1 22 23 1 23 24 1', '24 26 H 16.51 -16.00 C:106 20.20 -12.90 C:34 16.23 -16.80 C:22 14.32 -16.80 C:14 16.51 -12.19 O 20.48 -6.05 O 16.51 -8.95 C:117 20.12 -8.52 C:19 14.04 -13.62 C:27 18.97 -10.77 C:39 18.97 -15.04 C:25 17.74 -11.48 C:42 14.04 -15.04 C:38 15.28 -12.90 C:21 17.74 -15.76 O 18.27 -7.19 C:148 18.97 -13.62 C:171 19.67 -7.19 C:170 18.97 -9.35 C:98 17.84 -8.52 C:56 17.74 -12.90 C:34 15.28 -15.76 C:56 16.51 -15.04 C:40 16.51 -13.62 23 1 -2 2 17 2 22 3 -2 22 4 -1 24 5 -1 6 18 2 7 20 1 8 18 1 8 19 2 9 13 1 9 14 1 10 12 1 10 19 1 11 15 1 11 17 1 21 12 -1 13 22 1 14 24 1 15 23 1 16 18 1 16 20 1 17 21 1 19 20 1 21 24 1 22 23 1 23 24 1', 'C20H30O3', 318.22, 'C', 'tt07_11838_11', 3687, '', '', '1', 47, NULL, NULL),
(14389, '', '16-Acetoxylabda-8(17),13-dien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C:13]1=[CH:14][C:15](=O)O[CH:16]1O[C:16001]([CH3:16002])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CCC(=C)[C@H](CCC1=CC(=O)OC1OC(C)=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:56]23[CH2:21][CH2:39][C:150](=[CH2:106])[C@H:56]([CH2:24][CH2:27][C:168]1=[CH:118][C:171](=O)O[CH:94]1O[C:171]([CH3:34])=O)[C@@:40]2([CH3:14])[CH2:38][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:34]', '27 29 H 16.51 -16.00 C:17 20.20 -12.90 C:16002 14.14 -8.44 C:19 14.32 -16.80 C:18 16.23 -16.80 C:20 16.51 -12.19 O 15.76 -6.64 O 20.48 -6.05 C:14 20.12 -8.52 C:2 14.04 -13.62 C:12 18.97 -10.77 C:7 18.97 -15.04 C:11 17.74 -11.48 C:3 14.04 -15.04 C:1 15.28 -12.90 C:6 17.74 -15.76 O 16.51 -8.95 O 18.27 -7.19 C:16001 15.47 -8.01 C:8 18.97 -13.62 C:15 19.67 -7.19 C:13 18.97 -9.35 C:16 17.84 -8.52 C:9 17.74 -12.90 C:4 15.28 -15.76 C:5 16.51 -15.04 C:10 16.51 -13.62 26 1 -2 2 20 2 3 19 1 25 4 -1 25 5 -2 27 6 -1 7 19 2 8 21 2 9 21 1 9 22 2 10 14 1 10 15 1 11 13 1 11 22 1 12 16 1 12 20 1 24 13 -1 14 25 1 15 27 1 16 26 1 17 19 1 17 23 1 18 21 1 18 23 1 20 24 1 22 23 1 24 27 1 25 26 1 26 27 1', '27 29 H 16.51 -16.00 C 20.20 -12.90 C 14.14 -8.44 C 14.32 -16.80 C 16.23 -16.80 C 16.51 -12.19 O 15.76 -6.64 O 20.48 -6.05 C 20.12 -8.52 C 14.04 -13.62 C 18.97 -10.77 C 18.97 -15.04 C 17.74 -11.48 C 14.04 -15.04 C 15.28 -12.90 C 17.74 -15.76 O 16.51 -8.95 O 18.27 -7.19 C 15.47 -8.01 C 18.97 -13.62 C 19.67 -7.19 C 18.97 -9.35 C 17.84 -8.52 C 17.74 -12.90 C 15.28 -15.76 C 16.51 -15.04 C 16.51 -13.62 26 1 -2 2 20 2 3 19 1 25 4 -1 25 5 -2 27 6 -1 7 19 2 8 21 2 9 21 1 9 22 2 10 14 1 10 15 1 11 13 1 11 22 1 12 16 1 12 20 1 24 13 -1 14 25 1 15 27 1 16 26 1 17 19 1 17 23 1 18 21 1 18 23 1 20 24 1 22 23 1 24 27 1 25 26 1 26 27 1', '27 29 H 16.51 -16.00 C:106 20.20 -12.90 C:34 14.14 -8.44 C:22 14.32 -16.80 C:34 16.23 -16.80 C:14 16.51 -12.19 O 15.76 -6.64 O 20.48 -6.05 C:118 20.12 -8.52 C:19 14.04 -13.62 C:27 18.97 -10.77 C:39 18.97 -15.04 C:24 17.74 -11.48 C:42 14.04 -15.04 C:38 15.28 -12.90 C:21 17.74 -15.76 O 16.51 -8.95 O 18.27 -7.19 C:171 15.47 -8.01 C:150 18.97 -13.62 C:171 19.67 -7.19 C:168 18.97 -9.35 C:94 17.84 -8.52 C:56 17.74 -12.90 C:34 15.28 -15.76 C:56 16.51 -15.04 C:40 16.51 -13.62 26 1 -2 2 20 2 3 19 1 25 4 -1 25 5 -2 27 6 -1 7 19 2 8 21 2 9 21 1 9 22 2 10 14 1 10 15 1 11 13 1 11 22 1 12 16 1 12 20 1 24 13 -1 14 25 1 15 27 1 16 26 1 17 19 1 17 23 1 18 21 1 18 23 1 20 24 1 22 23 1 24 27 1 25 26 1 26 27 1', 'C22H32O4', 360.241, 'C', 'tt07_11838_12', 3687, '', '', '1', 47, NULL, NULL),
(14390, '', 'Ethyl 17-norlabd-13-E-en-8-one-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(=O)[C@H](CCC(C)=CC(=O)OCC)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:54]12[CH2:24][CH2:43][C:212](=O)[C@H:63]([CH2:20][CH2:40][C:160]([CH3:19])=[CH:116][C:167](=O)O[CH2:59][CH3:14])[C@@:43]1([CH3:15])[CH2:39][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '25 26 H 16.05 -16.82 C:15002 19.74 -5.27 C:16 17.28 -9.47 C:18 15.77 -17.62 C:19 13.87 -17.62 C:20 16.05 -13.02 O 18.52 -7.37 O 19.74 -13.73 C:14 19.74 -9.47 C:15001 20.96 -5.97 C:2 13.59 -14.45 C:12 18.52 -11.60 C:7 18.52 -15.87 C:11 17.28 -12.30 C:3 13.59 -15.87 C:1 14.82 -13.73 C:6 17.28 -16.58 O 20.96 -7.37 C:13 18.52 -10.18 C:15 19.74 -8.07 C:8 18.52 -14.45 C:9 17.28 -13.73 C:4 14.82 -16.58 C:5 16.05 -15.87 C:10 16.05 -14.45 24 1 -2 2 10 1 3 19 1 23 4 -2 23 5 -1 25 6 -1 7 20 2 8 21 2 9 19 2 9 20 1 10 18 1 11 15 1 11 16 1 12 14 1 12 19 1 13 17 1 13 21 1 22 14 -1 15 23 1 16 25 1 17 24 1 18 20 1 21 22 1 22 25 1 23 24 1 24 25 1', '25 26 H 16.05 -16.82 C 19.74 -5.27 C 17.28 -9.47 C 15.77 -17.62 C 13.87 -17.62 C 16.05 -13.02 O 18.52 -7.37 O 19.74 -13.73 C 19.74 -9.47 C 20.96 -5.97 C 13.59 -14.45 C 18.52 -11.60 C 18.52 -15.87 C 17.28 -12.30 C 13.59 -15.87 C 14.82 -13.73 C 17.28 -16.58 O 20.96 -7.37 C 18.52 -10.18 C 19.74 -8.07 C 18.52 -14.45 C 17.28 -13.73 C 14.82 -16.58 C 16.05 -15.87 C 16.05 -14.45 24 1 -2 2 10 1 3 19 1 23 4 -2 23 5 -1 25 6 -1 7 20 2 8 21 2 9 19 2 9 20 1 10 18 1 11 15 1 11 16 1 12 14 1 12 19 1 13 17 1 13 21 1 22 14 -1 15 23 1 16 25 1 17 24 1 18 20 1 21 22 1 22 25 1 23 24 1 24 25 1', '25 26 H 16.05 -16.82 C:14 19.74 -5.27 C:19 17.28 -9.47 C:34 15.77 -17.62 C:22 13.87 -17.62 C:15 16.05 -13.02 O 18.52 -7.37 O 19.74 -13.73 C:116 19.74 -9.47 C:59 20.96 -5.97 C:19 13.59 -14.45 C:40 18.52 -11.60 C:43 18.52 -15.87 C:20 17.28 -12.30 C:42 13.59 -15.87 C:39 14.82 -13.73 C:24 17.28 -16.58 O 20.96 -7.37 C:160 18.52 -10.18 C:167 19.74 -8.07 C:212 18.52 -14.45 C:63 17.28 -13.73 C:34 14.82 -16.58 C:54 16.05 -15.87 C:43 16.05 -14.45 24 1 -2 2 10 1 3 19 1 23 4 -2 23 5 -1 25 6 -1 7 20 2 8 21 2 9 19 2 9 20 1 10 18 1 11 15 1 11 16 1 12 14 1 12 19 1 13 17 1 13 21 1 22 14 -1 15 23 1 16 25 1 17 24 1 18 20 1 21 22 1 22 25 1 23 24 1 24 25 1', 'C21H34O3', 334.231, 'C', 'tt07_12179_8', 3688, '', '', '1', 47, NULL, NULL),
(14391, '', 'Ethyl 17-norlabd-13-Z-en-8-one-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=O)[C@H:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(=O)[C@H](CCC(C)=CC(=O)OCC)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:54]12[CH2:24][CH2:43][C:212](=O)[C@H:64]([CH2:20][CH2:33][C:161]([CH3:25])=[CH:116][C:166](=O)O[CH2:60][CH3:14])[C@@:43]1([CH3:15])[CH2:39][CH2:19][CH2:42][C@@:34]2([CH3:22])[CH3:34]', '25 26 H 14.82 -14.68 C:15002 22.14 -9.48 C:16 16.06 -7.35 C:19 12.63 -15.48 C:18 14.54 -15.48 C:20 14.82 -10.89 O 19.72 -9.48 O 18.51 -11.60 C:14 18.51 -7.35 C:15001 22.14 -8.06 C:2 12.35 -12.32 C:12 17.29 -9.48 C:7 17.29 -13.74 C:11 16.06 -10.18 C:3 12.35 -13.74 C:1 13.59 -11.60 C:6 16.06 -14.44 O 20.94 -7.35 C:13 17.29 -8.06 C:15 19.72 -8.06 C:8 17.29 -12.32 C:9 16.06 -11.60 C:4 13.59 -14.44 C:5 14.82 -13.74 C:10 14.82 -12.32 24 1 -2 2 10 1 3 19 1 23 4 -1 23 5 -2 25 6 -1 7 20 2 8 21 2 9 19 2 9 20 1 10 18 1 11 15 1 11 16 1 12 14 1 12 19 1 13 17 1 13 21 1 22 14 -1 15 23 1 16 25 1 17 24 1 18 20 1 21 22 1 22 25 1 23 24 1 24 25 1', '25 26 H 14.82 -14.68 C 22.14 -9.48 C 16.06 -7.35 C 12.63 -15.48 C 14.54 -15.48 C 14.82 -10.89 O 19.72 -9.48 O 18.51 -11.60 C 18.51 -7.35 C 22.14 -8.06 C 12.35 -12.32 C 17.29 -9.48 C 17.29 -13.74 C 16.06 -10.18 C 12.35 -13.74 C 13.59 -11.60 C 16.06 -14.44 O 20.94 -7.35 C 17.29 -8.06 C 19.72 -8.06 C 17.29 -12.32 C 16.06 -11.60 C 13.59 -14.44 C 14.82 -13.74 C 14.82 -12.32 24 1 -2 2 10 1 3 19 1 23 4 -1 23 5 -2 25 6 -1 7 20 2 8 21 2 9 19 2 9 20 1 10 18 1 11 15 1 11 16 1 12 14 1 12 19 1 13 17 1 13 21 1 22 14 -1 15 23 1 16 25 1 17 24 1 18 20 1 21 22 1 22 25 1 23 24 1 24 25 1', '25 26 H 14.82 -14.68 C:14 22.14 -9.48 C:25 16.06 -7.35 C:22 12.63 -15.48 C:34 14.54 -15.48 C:15 14.82 -10.89 O 19.72 -9.48 O 18.51 -11.60 C:116 18.51 -7.35 C:60 22.14 -8.06 C:19 12.35 -12.32 C:33 17.29 -9.48 C:43 17.29 -13.74 C:20 16.06 -10.18 C:42 12.35 -13.74 C:39 13.59 -11.60 C:24 16.06 -14.44 O 20.94 -7.35 C:161 17.29 -8.06 C:166 19.72 -8.06 C:212 17.29 -12.32 C:64 16.06 -11.60 C:34 13.59 -14.44 C:54 14.82 -13.74 C:43 14.82 -12.32 24 1 -2 2 10 1 3 19 1 23 4 -1 23 5 -2 25 6 -1 7 20 2 8 21 2 9 19 2 9 20 1 10 18 1 11 15 1 11 16 1 12 14 1 12 19 1 13 17 1 13 21 1 22 14 -1 15 23 1 16 25 1 17 24 1 18 20 1 21 22 1 22 25 1 23 24 1 24 25 1', 'C21H34O3', 334.231, 'C+C', 'tt07_12179_9', 3688, '', '', '1', 47, NULL, NULL),
(14392, '', 'Ethyl labd-13E-en-8β-ol-15-oate', '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])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@](C)(O)[C@H](CCC(C)=CC(=O)OCC)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:18][CH2:42][C@:73]([CH3:31])(O)[C@H:59]([CH2:24][CH2:45][C:160]([CH3:19])=[CH:115][C:167](=O)O[CH2:60][CH3:14])[C@@:39]1([CH3:15])[CH2:39][CH2:18][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '26 27 H 16.05 -16.80 C:15002 19.74 -5.25 C:16 17.29 -9.47 C:19 13.85 -17.59 C:18 15.77 -17.59 C:17 19.21 -13.22 C:20 16.05 -13.00 O 18.51 -7.37 O 19.92 -14.43 C:14 19.74 -9.47 C:15001 20.96 -5.96 C:2 13.57 -14.43 C:12 18.51 -11.59 C:11 17.29 -12.29 C:3 13.57 -15.85 C:1 14.81 -13.71 C:7 18.51 -15.85 C:6 17.29 -16.56 O 20.96 -7.37 C:13 18.51 -10.17 C:15 19.74 -8.08 C:9 17.29 -13.71 C:4 14.81 -16.56 C:8 18.51 -14.43 C:5 16.05 -15.85 C:10 16.05 -14.43 25 1 -2 2 11 1 3 20 1 23 4 -1 23 5 -2 24 6 -2 26 7 -1 8 21 2 24 9 -1 10 20 2 10 21 1 11 19 1 12 15 1 12 16 1 13 14 1 13 20 1 22 14 -1 15 23 1 16 26 1 17 18 1 17 24 1 18 25 1 19 21 1 22 24 1 22 26 1 23 25 1 25 26 1', '26 27 H 16.05 -16.80 C 19.74 -5.25 C 17.29 -9.47 C 13.85 -17.59 C 15.77 -17.59 C 19.21 -13.22 C 16.05 -13.00 O 18.51 -7.37 O 19.92 -14.43 C 19.74 -9.47 C 20.96 -5.96 C 13.57 -14.43 C 18.51 -11.59 C 17.29 -12.29 C 13.57 -15.85 C 14.81 -13.71 C 18.51 -15.85 C 17.29 -16.56 O 20.96 -7.37 C 18.51 -10.17 C 19.74 -8.08 C 17.29 -13.71 C 14.81 -16.56 C 18.51 -14.43 C 16.05 -15.85 C 16.05 -14.43 25 1 -2 2 11 1 3 20 1 23 4 -1 23 5 -2 24 6 -2 26 7 -1 8 21 2 24 9 -1 10 20 2 10 21 1 11 19 1 12 15 1 12 16 1 13 14 1 13 20 1 22 14 -1 15 23 1 16 26 1 17 18 1 17 24 1 18 25 1 19 21 1 22 24 1 22 26 1 23 25 1 25 26 1', '26 27 H 16.05 -16.80 C:14 19.74 -5.25 C:19 17.29 -9.47 C:22 13.85 -17.59 C:33 15.77 -17.59 C:31 19.21 -13.22 C:15 16.05 -13.00 O 18.51 -7.37 O 19.92 -14.43 C:115 19.74 -9.47 C:60 20.96 -5.96 C:18 13.57 -14.43 C:45 18.51 -11.59 C:24 17.29 -12.29 C:42 13.57 -15.85 C:39 14.81 -13.71 C:42 18.51 -15.85 C:18 17.29 -16.56 O 20.96 -7.37 C:160 18.51 -10.17 C:167 19.74 -8.08 C:59 17.29 -13.71 C:33 14.81 -16.56 C:73 18.51 -14.43 C:56 16.05 -15.85 C:39 16.05 -14.43 25 1 -2 2 11 1 3 20 1 23 4 -1 23 5 -2 24 6 -2 26 7 -1 8 21 2 24 9 -1 10 20 2 10 21 1 11 19 1 12 15 1 12 16 1 13 14 1 13 20 1 22 14 -1 15 23 1 16 26 1 17 18 1 17 24 1 18 25 1 19 21 1 22 24 1 22 26 1 23 25 1 25 26 1', 'C22H38O3', 350.242, 'C', 'tt07_12179_13', 3688, '', '', '1', 47, NULL, NULL),
(14393, '', 'Ethyl labd-13Z-en-8β-ol-15-oate', '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])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[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](CCC(C)=CC(=O)OCC)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:18][CH2:42][C@:59]([CH3:31])(O)[C@H:33]([CH2:24][CH2:37][C:160]([CH3:25])=[CH:116][C:166](=O)O[CH2:59][CH3:14])[C@@:39]1([CH3:15])[CH2:39][CH2:18][CH2:42][C@:9999]2([CH3:33])[CH3:22]', '26 27 H 14.80 -14.67 C:15002 22.12 -9.46 C:16 16.03 -7.34 C:18 14.52 -15.47 C:19 12.61 -15.47 C:17 17.97 -11.09 C:20 14.80 -10.87 O 19.69 -9.46 O 18.67 -12.30 C:14 18.49 -7.34 C:15001 22.12 -8.05 C:2 12.33 -12.30 C:12 17.27 -9.46 C:11 16.03 -10.16 C:3 12.33 -13.72 C:1 13.57 -11.58 C:7 17.27 -13.72 C:6 16.03 -14.43 O 20.91 -7.34 C:13 17.27 -8.05 C:15 19.69 -8.05 C:9 16.03 -11.58 C:4 13.57 -14.43 C:8 17.27 -12.30 C:5 14.80 -13.72 C:10 14.80 -12.30 25 1 -2 2 11 1 3 20 1 23 4 -2 23 5 -1 24 6 -2 26 7 -1 8 21 2 24 9 -1 10 20 2 10 21 1 11 19 1 12 15 1 12 16 1 13 14 1 13 20 1 22 14 -1 15 23 1 16 26 1 17 18 1 17 24 1 18 25 1 19 21 1 22 24 1 22 26 1 23 25 1 25 26 1', '26 27 H 14.80 -14.67 C 22.12 -9.46 C 16.03 -7.34 C 14.52 -15.47 C 12.61 -15.47 C 17.97 -11.09 C 14.80 -10.87 O 19.69 -9.46 O 18.67 -12.30 C 18.49 -7.34 C 22.12 -8.05 C 12.33 -12.30 C 17.27 -9.46 C 16.03 -10.16 C 12.33 -13.72 C 13.57 -11.58 C 17.27 -13.72 C 16.03 -14.43 O 20.91 -7.34 C 17.27 -8.05 C 19.69 -8.05 C 16.03 -11.58 C 13.57 -14.43 C 17.27 -12.30 C 14.80 -13.72 C 14.80 -12.30 25 1 -2 2 11 1 3 20 1 23 4 -2 23 5 -1 24 6 -2 26 7 -1 8 21 2 24 9 -1 10 20 2 10 21 1 11 19 1 12 15 1 12 16 1 13 14 1 13 20 1 22 14 -1 15 23 1 16 26 1 17 18 1 17 24 1 18 25 1 19 21 1 22 24 1 22 26 1 23 25 1 25 26 1', '26 27 H 14.80 -14.67 C:14 22.12 -9.46 C:25 16.03 -7.34 C:33 14.52 -15.47 C:22 12.61 -15.47 C:31 17.97 -11.09 C:15 14.80 -10.87 O 19.69 -9.46 O 18.67 -12.30 C:116 18.49 -7.34 C:59 22.12 -8.05 C:18 12.33 -12.30 C:37 17.27 -9.46 C:24 16.03 -10.16 C:42 12.33 -13.72 C:39 13.57 -11.58 C:42 17.27 -13.72 C:18 16.03 -14.43 O 20.91 -7.34 C:160 17.27 -8.05 C:166 19.69 -8.05 C:33 16.03 -11.58 C 13.57 -14.43 C:59 17.27 -12.30 C:56 14.80 -13.72 C:39 14.80 -12.30 25 1 -2 2 11 1 3 20 1 23 4 -2 23 5 -1 24 6 -2 26 7 -1 8 21 2 24 9 -1 10 20 2 10 21 1 11 19 1 12 15 1 12 16 1 13 14 1 13 20 1 22 14 -1 15 23 1 16 26 1 17 18 1 17 24 1 18 25 1 19 21 1 22 24 1 22 26 1 23 25 1 25 26 1', 'C22H38O3', 350.242, 'C+C', 'tt07_12179_14', 3688, '', '', '1', 47, 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
(14394, '', 'Labd-13Z-ene-8β,15-diol', '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])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@](C)(O)[C@H](CCC(C)=CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:18][CH2:42][C@:73]([CH3:31])(O)[C@H:59]([CH2:25][CH2:36][C:141]([CH3:24])=[CH:124][CH2:59]O)[C@@:39]1([CH3:15])[CH2:39][CH2:18][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '23 24 H 16.06 -14.67 C:16 17.29 -7.33 C:19 13.86 -15.46 C:18 15.78 -15.46 C:17 19.21 -11.08 C:20 16.06 -10.86 O 20.96 -9.45 O 19.91 -12.29 C:14 19.73 -7.33 C:15 20.96 -8.04 C:2 13.57 -12.29 C:12 18.51 -9.45 C:11 17.29 -10.16 C:3 13.57 -13.72 C:1 14.82 -11.57 C:7 18.51 -13.72 C:6 17.29 -14.43 C:13 18.51 -8.04 C:9 17.29 -11.57 C:4 14.82 -14.43 C:8 18.51 -12.29 C:5 16.06 -13.72 C:10 16.06 -12.29 22 1 -2 2 18 1 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 10 1 21 8 -1 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 16.06 -14.67 C 17.29 -7.33 C 13.86 -15.46 C 15.78 -15.46 C 19.21 -11.08 C 16.06 -10.86 O 20.96 -9.45 O 19.91 -12.29 C 19.73 -7.33 C 20.96 -8.04 C 13.57 -12.29 C 18.51 -9.45 C 17.29 -10.16 C 13.57 -13.72 C 14.82 -11.57 C 18.51 -13.72 C 17.29 -14.43 C 18.51 -8.04 C 17.29 -11.57 C 14.82 -14.43 C 18.51 -12.29 C 16.06 -13.72 C 16.06 -12.29 22 1 -2 2 18 1 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 10 1 21 8 -1 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 16.06 -14.67 C:24 17.29 -7.33 C:22 13.86 -15.46 C:33 15.78 -15.46 C:31 19.21 -11.08 C:15 16.06 -10.86 O 20.96 -9.45 O 19.91 -12.29 C:124 19.73 -7.33 C:59 20.96 -8.04 C:18 13.57 -12.29 C:36 18.51 -9.45 C:25 17.29 -10.16 C:42 13.57 -13.72 C:39 14.82 -11.57 C:42 18.51 -13.72 C:18 17.29 -14.43 C:141 18.51 -8.04 C:59 17.29 -11.57 C:33 14.82 -14.43 C:73 18.51 -12.29 C:56 16.06 -13.72 C:39 16.06 -12.29 22 1 -2 2 18 1 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 10 1 21 8 -1 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', 'C20H36O2', 308.221, 'C+C', 'tt07_12179_5', 3688, '', '', '1', 47, NULL, NULL),
(14395, '', 'Labd-13E-ene-8β-ol-15-al', '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])=[CH:14][CH:15]=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC[C@](C)(O)[C@H](CCC(C)=CC=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:19][CH2:43][C@:72]([CH3:31])(O)[C@H:59]([CH2:24][CH2:44][C:162]([CH3:17])=[CH:127][CH:190]=O)[C@@:39]1([CH3:15])[CH2:39][CH2:19][CH2:42][C@@:33]2([CH3:22])[CH3:34]', '23 24 H 16.57 -15.75 C:16 17.81 -8.40 C:19 14.37 -16.54 C:18 16.29 -16.54 C:17 19.72 -12.15 C:20 16.57 -11.93 O 19.02 -6.28 O 20.42 -13.36 C:15 20.24 -7.00 C:14 20.24 -8.40 C:2 14.08 -13.36 C:12 19.02 -10.52 C:11 17.81 -11.23 C:3 14.08 -14.80 C:1 15.33 -12.65 C:7 19.02 -14.80 C:6 17.81 -15.51 C:13 19.02 -9.11 C:9 17.81 -12.65 C:4 15.33 -15.51 C:8 19.02 -13.36 C:5 16.57 -14.80 C:10 16.57 -13.36 22 1 -2 2 18 1 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 9 2 21 8 -1 9 10 1 10 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 16.57 -15.75 C 17.81 -8.40 C 14.37 -16.54 C 16.29 -16.54 C 19.72 -12.15 C 16.57 -11.93 O 19.02 -6.28 O 20.42 -13.36 C 20.24 -7.00 C 20.24 -8.40 C 14.08 -13.36 C 19.02 -10.52 C 17.81 -11.23 C 14.08 -14.80 C 15.33 -12.65 C 19.02 -14.80 C 17.81 -15.51 C 19.02 -9.11 C 17.81 -12.65 C 15.33 -15.51 C 19.02 -13.36 C 16.57 -14.80 C 16.57 -13.36 22 1 -2 2 18 1 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 9 2 21 8 -1 9 10 1 10 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 16.57 -15.75 C:17 17.81 -8.40 C:22 14.37 -16.54 C:34 16.29 -16.54 C:31 19.72 -12.15 C:15 16.57 -11.93 O 19.02 -6.28 O 20.42 -13.36 C:190 20.24 -7.00 C:127 20.24 -8.40 C:19 14.08 -13.36 C:44 19.02 -10.52 C:24 17.81 -11.23 C:42 14.08 -14.80 C:39 15.33 -12.65 C:43 19.02 -14.80 C:19 17.81 -15.51 C:162 19.02 -9.11 C:59 17.81 -12.65 C:33 15.33 -15.51 C:72 19.02 -13.36 C:56 16.57 -14.80 C:39 16.57 -13.36 22 1 -2 2 18 1 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 9 2 21 8 -1 9 10 1 10 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', 'C20H34O2', 306.221, 'B', 'tt07_12179_1', 3688, '', '', '1', 47, NULL, NULL),
(14396, '', 'Labd-13Z-ene-8β-ol-15-al', '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])=[CH:14][CH:15]=O)[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](CCC(C)=CC=O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:56]12[CH2:19][CH2:42][C@:72]([CH3:31])(O)[C@H:59]([CH2:25][CH2:36][C:163]([CH3:25])=[CH:128][CH:189]=O)[C@@:39]1([CH3:15])[CH2:39][CH2:19][CH2:43][C@:33]2([CH3:34])[CH3:22]', '23 24 H 16.06 -14.73 C:16 17.29 -7.38 C:18 15.78 -15.52 C:19 13.86 -15.52 C:17 19.21 -11.13 C:20 16.06 -10.91 O 20.96 -9.50 O 19.91 -12.35 C:15 20.96 -8.09 C:14 19.73 -7.38 C:2 13.57 -12.35 C:12 18.51 -9.50 C:11 17.29 -10.21 C:3 13.57 -13.78 C:1 14.82 -11.63 C:7 18.51 -13.78 C:6 17.29 -14.49 C:13 18.51 -8.09 C:9 17.29 -11.63 C:4 14.82 -14.49 C:8 18.51 -12.35 C:5 16.06 -13.78 C:10 16.06 -12.35 22 1 -2 2 18 1 20 3 -2 20 4 -1 21 5 -2 23 6 -1 7 9 2 21 8 -1 9 10 1 10 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 16.06 -14.73 C 17.29 -7.38 C 15.78 -15.52 C 13.86 -15.52 C 19.21 -11.13 C 16.06 -10.91 O 20.96 -9.50 O 19.91 -12.35 C 20.96 -8.09 C 19.73 -7.38 C 13.57 -12.35 C 18.51 -9.50 C 17.29 -10.21 C 13.57 -13.78 C 14.82 -11.63 C 18.51 -13.78 C 17.29 -14.49 C 18.51 -8.09 C 17.29 -11.63 C 14.82 -14.49 C 18.51 -12.35 C 16.06 -13.78 C 16.06 -12.35 22 1 -2 2 18 1 20 3 -2 20 4 -1 21 5 -2 23 6 -1 7 9 2 21 8 -1 9 10 1 10 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', '23 24 H 16.06 -14.73 C:25 17.29 -7.38 C:34 15.78 -15.52 C:22 13.86 -15.52 C:31 19.21 -11.13 C:15 16.06 -10.91 O 20.96 -9.50 O 19.91 -12.35 C:189 20.96 -8.09 C:128 19.73 -7.38 C:19 13.57 -12.35 C:36 18.51 -9.50 C:25 17.29 -10.21 C:43 13.57 -13.78 C:39 14.82 -11.63 C:42 18.51 -13.78 C:19 17.29 -14.49 C:163 18.51 -8.09 C:59 17.29 -11.63 C:33 14.82 -14.49 C:72 18.51 -12.35 C:56 16.06 -13.78 C:39 16.06 -12.35 22 1 -2 2 18 1 20 3 -2 20 4 -1 21 5 -2 23 6 -1 7 9 2 21 8 -1 9 10 1 10 18 2 11 14 1 11 15 1 12 13 1 12 18 1 19 13 -1 14 20 1 15 23 1 16 17 1 16 21 1 17 22 1 19 21 1 19 23 1 20 22 1 22 23 1', 'C20H34O2', 306.221, 'B+B', 'tt07_12179_2', 3688, '', '', '1', 47, NULL, NULL),
(14397, '', '14,15-Dinor-labd-8-en-13-R/S-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(C)=C(CCC(C)O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:52]12[CH2:19][CH2:34][C:126]([CH3:20])=[C:140]([CH2:24][CH2:40][CH:69]([CH3:24])O)[C@@:39]1([CH3:20])[CH2:37][CH2:19][CH2:42][C@@:33]2([CH3:22])[CH3:33]', '20 21 H 16.64 -14.71 C:17 20.32 -11.62 C:16 17.87 -7.35 C:19 14.45 -15.52 C:18 16.36 -15.52 C:20 16.64 -10.90 O 20.32 -7.35 C:2 14.17 -12.34 C:11 17.87 -10.18 C:7 19.11 -13.76 C:12 19.11 -9.48 C:3 14.17 -13.76 C:1 15.41 -11.62 C:6 17.87 -14.47 C:8 19.11 -12.34 C:9 17.87 -11.62 C:13 19.11 -8.06 C:4 15.41 -14.47 C:10 16.64 -12.34 C:5 16.64 -13.76 20 1 -2 2 15 1 3 17 1 18 4 -1 18 5 -2 19 6 -1 7 17 1 8 12 1 8 13 1 9 11 1 9 16 1 10 14 1 10 15 1 11 17 1 12 18 1 13 19 1 14 20 1 15 16 2 16 19 1 18 20 1 19 20 1', '20 21 H 16.64 -14.71 C 20.32 -11.62 C 17.87 -7.35 C 14.45 -15.52 C 16.36 -15.52 C 16.64 -10.90 O 20.32 -7.35 C 14.17 -12.34 C 17.87 -10.18 C 19.11 -13.76 C 19.11 -9.48 C 14.17 -13.76 C 15.41 -11.62 C 17.87 -14.47 C 19.11 -12.34 C 17.87 -11.62 C 19.11 -8.06 C 15.41 -14.47 C 16.64 -12.34 C 16.64 -13.76 20 1 -2 2 15 1 3 17 1 18 4 -1 18 5 -2 19 6 -1 7 17 1 8 12 1 8 13 1 9 11 1 9 16 1 10 14 1 10 15 1 11 17 1 12 18 1 13 19 1 14 20 1 15 16 2 16 19 1 18 20 1 19 20 1', '20 21 H 16.64 -14.71 C:20 20.32 -11.62 C:24 17.87 -7.35 C:22 14.45 -15.52 C:33 16.36 -15.52 C:20 16.64 -10.90 O 20.32 -7.35 C:19 14.17 -12.34 C:24 17.87 -10.18 C:34 19.11 -13.76 C:40 19.11 -9.48 C:42 14.17 -13.76 C:37 15.41 -11.62 C:19 17.87 -14.47 C:126 19.11 -12.34 C:140 17.87 -11.62 C:69 19.11 -8.06 C:33 15.41 -14.47 C:39 16.64 -12.34 C:52 16.64 -13.76 20 1 -2 2 15 1 3 17 1 18 4 -1 18 5 -2 19 6 -1 7 17 1 8 12 1 8 13 1 9 11 1 9 16 1 10 14 1 10 15 1 11 17 1 12 18 1 13 19 1 14 20 1 15 16 2 16 19 1 18 20 1 19 20 1', 'C18H32O', 264.2, 'C', 'tt08_8815_8', 3689, '', '', '1', 47, NULL, NULL),
(14398, '', 'Acetate of 14,15-dinor-labd-8-en-13-R/S-ilo', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[C:13001]([CH3:13002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12CCC(C)=C(CCC(C)OC(C)=O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:52]12[CH2:19][CH2:34][C:126]([CH3:20])=[C:140]([CH2:24][CH2:37][CH:72]([CH3:20])O[C:171]([CH3:22])=O)[C@@:39]1([CH3:20])[CH2:37][CH2:19][CH2:42][C@:34]2([CH3:34])[CH3:22]', '23 24 H 15.42 -14.70 C:13002 21.53 -7.33 C:17 19.12 -11.61 C:16 16.65 -7.33 C:18 15.14 -15.49 C:19 13.26 -15.49 C:20 15.42 -10.89 O 20.35 -9.42 C:2 12.99 -12.34 C:11 16.65 -10.17 C:7 17.91 -13.76 C:12 17.91 -9.47 C:3 12.99 -13.76 C:1 14.20 -11.61 C:6 16.65 -14.46 O 19.12 -7.33 C:13001 20.35 -8.04 C:8 17.91 -12.34 C:9 16.65 -11.61 C:13 17.91 -8.04 C:4 14.20 -14.46 C:5 15.42 -13.76 C:10 15.42 -12.34 22 1 -2 2 17 1 3 18 1 4 20 1 21 5 -2 21 6 -1 23 7 -1 8 17 2 9 13 1 9 14 1 10 12 1 10 19 1 11 15 1 11 18 1 12 20 1 13 21 1 14 23 1 15 22 1 16 17 1 16 20 1 18 19 2 19 23 1 21 22 1 22 23 1', '23 24 H 15.42 -14.70 C 21.53 -7.33 C 19.12 -11.61 C 16.65 -7.33 C 15.14 -15.49 C 13.26 -15.49 C 15.42 -10.89 O 20.35 -9.42 C 12.99 -12.34 C 16.65 -10.17 C 17.91 -13.76 C 17.91 -9.47 C 12.99 -13.76 C 14.20 -11.61 C 16.65 -14.46 O 19.12 -7.33 C 20.35 -8.04 C 17.91 -12.34 C 16.65 -11.61 C 17.91 -8.04 C 14.20 -14.46 C 15.42 -13.76 C 15.42 -12.34 22 1 -2 2 17 1 3 18 1 4 20 1 21 5 -2 21 6 -1 23 7 -1 8 17 2 9 13 1 9 14 1 10 12 1 10 19 1 11 15 1 11 18 1 12 20 1 13 21 1 14 23 1 15 22 1 16 17 1 16 20 1 18 19 2 19 23 1 21 22 1 22 23 1', '23 24 H 15.42 -14.70 C:22 21.53 -7.33 C:20 19.12 -11.61 C:20 16.65 -7.33 C:34 15.14 -15.49 C:22 13.26 -15.49 C:20 15.42 -10.89 O 20.35 -9.42 C:19 12.99 -12.34 C:24 16.65 -10.17 C:34 17.91 -13.76 C:37 17.91 -9.47 C:42 12.99 -13.76 C:37 14.20 -11.61 C:19 16.65 -14.46 O 19.12 -7.33 C:171 20.35 -8.04 C:126 17.91 -12.34 C:140 16.65 -11.61 C:72 17.91 -8.04 C:34 14.20 -14.46 C:52 15.42 -13.76 C:39 15.42 -12.34 22 1 -2 2 17 1 3 18 1 4 20 1 21 5 -2 21 6 -1 23 7 -1 8 17 2 9 13 1 9 14 1 10 12 1 10 19 1 11 15 1 11 18 1 12 20 1 13 21 1 14 23 1 15 22 1 16 17 1 16 20 1 18 19 2 19 23 1 21 22 1 22 23 1', 'C20H34O2', 306.221, 'C', 'tt08_8815_9', 3689, '', '', '1', 47, NULL, NULL),
(14399, '', '13-R/S-Acetoxy-14,15-dinor-labd-8-en-7-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C:7](=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[C:13001]([CH3:13002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC(=O)C(C)=C(CCC(C)OC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:50]12[CH2:35][C:200](=O)[C:130]([CH3:12])=[C:167]([CH2:25][CH2:35][CH:71]([CH3:20])O[C:171]([CH3:21])=O)[C@@:41]1([CH3:18])[CH2:36][CH2:19][CH2:41][C@@:33]2([CH3:20])[CH3:33]', '24 25 H 15.42 -14.69 C:13002 21.53 -7.33 C:17 19.13 -11.60 C:16 16.65 -7.33 C:19 13.25 -15.49 C:18 15.14 -15.49 C:20 15.42 -10.88 O 20.35 -9.41 O 19.13 -14.45 C:2 12.98 -12.33 C:11 16.65 -10.16 C:12 17.91 -9.46 C:3 12.98 -13.75 C:1 14.19 -11.60 C:6 16.65 -14.45 O 19.13 -7.33 C:13001 20.35 -8.04 C:7 17.91 -13.75 C:8 17.91 -12.33 C:9 16.65 -11.60 C:13 17.91 -8.04 C:4 14.19 -14.45 C:5 15.42 -13.75 C:10 15.42 -12.33 23 1 -2 2 17 1 3 19 1 4 21 1 22 5 -1 22 6 -2 24 7 -1 8 17 2 9 18 2 10 13 1 10 14 1 11 12 1 11 20 1 12 21 1 13 22 1 14 24 1 15 18 1 15 23 1 16 17 1 16 21 1 18 19 1 19 20 2 20 24 1 22 23 1 23 24 1', '24 25 H 15.42 -14.69 C 21.53 -7.33 C 19.13 -11.60 C 16.65 -7.33 C 13.25 -15.49 C 15.14 -15.49 C 15.42 -10.88 O 20.35 -9.41 O 19.13 -14.45 C 12.98 -12.33 C 16.65 -10.16 C 17.91 -9.46 C 12.98 -13.75 C 14.19 -11.60 C 16.65 -14.45 O 19.13 -7.33 C 20.35 -8.04 C 17.91 -13.75 C 17.91 -12.33 C 16.65 -11.60 C 17.91 -8.04 C 14.19 -14.45 C 15.42 -13.75 C 15.42 -12.33 23 1 -2 2 17 1 3 19 1 4 21 1 22 5 -1 22 6 -2 24 7 -1 8 17 2 9 18 2 10 13 1 10 14 1 11 12 1 11 20 1 12 21 1 13 22 1 14 24 1 15 18 1 15 23 1 16 17 1 16 21 1 18 19 1 19 20 2 20 24 1 22 23 1 23 24 1', '24 25 H 15.42 -14.69 C:21 21.53 -7.33 C:12 19.13 -11.60 C:20 16.65 -7.33 C:20 13.25 -15.49 C:33 15.14 -15.49 C:18 15.42 -10.88 O 20.35 -9.41 O 19.13 -14.45 C:19 12.98 -12.33 C:25 16.65 -10.16 C:35 17.91 -9.46 C:41 12.98 -13.75 C:36 14.19 -11.60 C:35 16.65 -14.45 O 19.13 -7.33 C:171 20.35 -8.04 C:200 17.91 -13.75 C:130 17.91 -12.33 C:167 16.65 -11.60 C:71 17.91 -8.04 C:33 14.19 -14.45 C:50 15.42 -13.75 C:41 15.42 -12.33 23 1 -2 2 17 1 3 19 1 4 21 1 22 5 -1 22 6 -2 24 7 -1 8 17 2 9 18 2 10 13 1 10 14 1 11 12 1 11 20 1 12 21 1 13 22 1 14 24 1 15 18 1 15 23 1 16 17 1 16 21 1 18 19 1 19 20 2 20 24 1 22 23 1 23 24 1', 'C20H32O3', 320.22, 'C', 'tt08_8815_10', 3689, '', '', '1', 47, NULL, NULL),
(14400, '', '14,15-Dinor-labd-8-en-6β,7β,13-R/S-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CCC(C)O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:50]12[C@H:64](O)[C@H:69](O)[C:123]([CH3:12])=[C:139]([CH2:21][CH2:37][CH:64]([CH3:21])O)[C@@:31]1([CH3:18])[CH2:37][CH2:16][CH2:40][C@@:31]2([CH3:21])[CH3:31]', '22 23 H 16.65 -14.50 C:17 20.33 -11.43 C:16 17.84 -7.18 C:19 14.47 -15.31 C:18 16.37 -15.31 C:20 16.65 -10.72 O 20.33 -7.18 O 20.33 -14.26 O 17.84 -15.67 C:2 14.20 -12.16 C:11 17.84 -10.00 C:12 19.11 -9.31 C:3 14.20 -13.57 C:1 15.42 -11.43 C:8 19.11 -12.16 C:9 17.84 -11.43 C:13 19.11 -7.89 C:7 19.11 -13.57 C:6 17.84 -14.26 C:4 15.42 -14.26 C:10 16.65 -12.16 C:5 16.65 -13.57 22 1 -2 2 15 1 3 17 1 20 4 -1 20 5 -2 21 6 -1 7 17 1 18 8 -1 19 9 -1 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 20 1 14 21 1 15 16 2 15 18 1 16 21 1 18 19 1 19 22 1 20 22 1 21 22 1', '22 23 H 16.65 -14.50 C 20.33 -11.43 C 17.84 -7.18 C 14.47 -15.31 C 16.37 -15.31 C 16.65 -10.72 O 20.33 -7.18 O 20.33 -14.26 O 17.84 -15.67 C 14.20 -12.16 C 17.84 -10.00 C 19.11 -9.31 C 14.20 -13.57 C 15.42 -11.43 C 19.11 -12.16 C 17.84 -11.43 C 19.11 -7.89 C 19.11 -13.57 C 17.84 -14.26 C 15.42 -14.26 C 16.65 -12.16 C 16.65 -13.57 22 1 -2 2 15 1 3 17 1 20 4 -1 20 5 -2 21 6 -1 7 17 1 18 8 -1 19 9 -1 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 20 1 14 21 1 15 16 2 15 18 1 16 21 1 18 19 1 19 22 1 20 22 1 21 22 1', '22 23 H 16.65 -14.50 C:12 20.33 -11.43 C:21 17.84 -7.18 C:21 14.47 -15.31 C:31 16.37 -15.31 C:18 16.65 -10.72 O 20.33 -7.18 O 20.33 -14.26 O 17.84 -15.67 C:16 14.20 -12.16 C:21 17.84 -10.00 C:37 19.11 -9.31 C:40 14.20 -13.57 C:37 15.42 -11.43 C:123 19.11 -12.16 C:139 17.84 -11.43 C:64 19.11 -7.89 C:69 19.11 -13.57 C:64 17.84 -14.26 C:31 15.42 -14.26 C:31 16.65 -12.16 C:50 16.65 -13.57 22 1 -2 2 15 1 3 17 1 20 4 -1 20 5 -2 21 6 -1 7 17 1 18 8 -1 19 9 -1 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 20 1 14 21 1 15 16 2 15 18 1 16 21 1 18 19 1 19 22 1 20 22 1 21 22 1', 'C18H32O3', 296.199, 'C', 'tt08_8815_12', 3689, '', '', '1', 47, NULL, NULL),
(14401, '', '14,15-Dinor-labd-8-en-6α,7α,13-R/S-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@@H:6](O)[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12[C@@H](O)[C@@H](O)C(C)=C(CCC(C)O)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:54]12[C@@H:75](O)[C@@H:80](O)[C:127]([CH3:14])=[C:144]([CH2:25][CH2:38][CH:69]([CH3:23])O)[C@@:42]1([CH3:22])[CH2:39][CH2:19][CH2:44][C@:34]2([CH3:37])[CH3:22]', '22 23 H 16.62 -14.52 C:17 20.31 -11.45 C:16 17.81 -7.20 C:18 16.34 -15.33 C:19 14.44 -15.33 C:20 16.62 -10.74 O 20.31 -7.20 O 20.31 -14.28 O 17.81 -15.69 C:2 14.17 -12.18 C:11 17.81 -10.02 C:12 19.09 -9.33 C:3 14.17 -13.59 C:1 15.39 -11.45 C:8 19.09 -12.18 C:9 17.81 -11.45 C:13 19.09 -7.91 C:7 19.09 -13.59 C:6 17.81 -14.28 C:4 15.39 -14.28 C:10 16.62 -12.18 C:5 16.62 -13.59 22 1 -2 2 15 1 3 17 1 20 4 -2 20 5 -1 21 6 -1 7 17 1 18 8 -2 19 9 -2 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 20 1 14 21 1 15 16 2 15 18 1 16 21 1 18 19 1 19 22 1 20 22 1 21 22 1', '22 23 H 16.62 -14.52 C 20.31 -11.45 C 17.81 -7.20 C 16.34 -15.33 C 14.44 -15.33 C 16.62 -10.74 O 20.31 -7.20 O 20.31 -14.28 O 17.81 -15.69 C 14.17 -12.18 C 17.81 -10.02 C 19.09 -9.33 C 14.17 -13.59 C 15.39 -11.45 C 19.09 -12.18 C 17.81 -11.45 C 19.09 -7.91 C 19.09 -13.59 C 17.81 -14.28 C 15.39 -14.28 C 16.62 -12.18 C 16.62 -13.59 22 1 -2 2 15 1 3 17 1 20 4 -2 20 5 -1 21 6 -1 7 17 1 18 8 -2 19 9 -2 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 20 1 14 21 1 15 16 2 15 18 1 16 21 1 18 19 1 19 22 1 20 22 1 21 22 1', '22 23 H 16.62 -14.52 C:14 20.31 -11.45 C:23 17.81 -7.20 C:37 16.34 -15.33 C:22 14.44 -15.33 C:22 16.62 -10.74 O 20.31 -7.20 O 20.31 -14.28 O 17.81 -15.69 C:19 14.17 -12.18 C:25 17.81 -10.02 C:38 19.09 -9.33 C:44 14.17 -13.59 C:39 15.39 -11.45 C:127 19.09 -12.18 C:144 17.81 -11.45 C:69 19.09 -7.91 C:80 19.09 -13.59 C:75 17.81 -14.28 C:34 15.39 -14.28 C:42 16.62 -12.18 C:54 16.62 -13.59 22 1 -2 2 15 1 3 17 1 20 4 -2 20 5 -1 21 6 -1 7 17 1 18 8 -2 19 9 -2 10 13 1 10 14 1 11 12 1 11 16 1 12 17 1 13 20 1 14 21 1 15 16 2 15 18 1 16 21 1 18 19 1 19 22 1 20 22 1 21 22 1', 'C18H32O3', 296.199, 'C', 'tt08_8815_13', 3689, '', '', '1', 47, NULL, NULL),
(14402, '', '13-R/S-tert-Butyldimethylsilyloxy-14,15-dinor-labd-8-ene-6β,7β-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[Si]([CH3:13003])([CH3:13002])[C:13001]([CH3:13006])([CH3:13005])[CH3:13004])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CCC(C)OS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:53]12[C@H:68](O)[C@H:74](O)[C:125]([CH3:15])=[C:144]([CH2:24][CH2:40][CH:69]([CH3:24])O[Si]([CH3:18])([CH3:18])[C:26]([CH3:5])([CH3:5])[CH3:4])[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@:34]2([CH3:34])[CH3:24]', '29 30 H 16.06 -16.64 C:17 19.73 -13.56 C:16 17.25 -9.29 C:13006 19.73 -5.07 C:13005 18.53 -5.78 C:13004 20.92 -5.78 C:18 15.78 -17.46 C:19 13.87 -17.46 C:20 16.06 -12.86 C:13003 18.53 -7.20 C:13002 20.92 -7.20 O 19.73 -16.40 O 17.25 -17.82 C:2 13.60 -14.29 C:11 17.25 -12.13 C:12 18.53 -11.44 C:3 13.60 -15.71 C:1 14.82 -13.56 O 19.73 -9.29 C:8 18.53 -14.29 C:9 17.25 -13.56 C:13 18.53 -10.01 C:7 18.53 -15.71 C:6 17.25 -16.40 C:13001 19.73 -6.48 C:4 14.82 -16.40 C:10 16.06 -14.29 C:5 16.06 -15.71 Si 19.73 -7.89 28 1 -2 2 20 1 3 22 1 4 25 1 5 25 1 6 25 1 26 7 -2 26 8 -1 27 9 -1 10 29 1 11 29 1 23 12 -1 24 13 -1 14 17 1 14 18 1 15 16 1 15 21 1 16 22 1 17 26 1 18 27 1 19 22 1 19 29 1 20 21 2 20 23 1 21 27 1 23 24 1 24 28 1 25 29 1 26 28 1 27 28 1', '29 30 H 16.06 -16.64 C 19.73 -13.56 C 17.25 -9.29 C 19.73 -5.07 C 18.53 -5.78 C 20.92 -5.78 C 15.78 -17.46 C 13.87 -17.46 C 16.06 -12.86 C 18.53 -7.20 C 20.92 -7.20 O 19.73 -16.40 O 17.25 -17.82 C 13.60 -14.29 C 17.25 -12.13 C 18.53 -11.44 C 13.60 -15.71 C 14.82 -13.56 O 19.73 -9.29 C 18.53 -14.29 C 17.25 -13.56 C 18.53 -10.01 C 18.53 -15.71 C 17.25 -16.40 C 19.73 -6.48 C 14.82 -16.40 C 16.06 -14.29 C 16.06 -15.71 Si 19.73 -7.89 28 1 -2 2 20 1 3 22 1 4 25 1 5 25 1 6 25 1 26 7 -2 26 8 -1 27 9 -1 10 29 1 11 29 1 23 12 -1 24 13 -1 14 17 1 14 18 1 15 16 1 15 21 1 16 22 1 17 26 1 18 27 1 19 22 1 19 29 1 20 21 2 20 23 1 21 27 1 23 24 1 24 28 1 25 29 1 26 28 1 27 28 1', '29 30 H 16.06 -16.64 C:15 19.73 -13.56 C:24 17.25 -9.29 C:5 19.73 -5.07 C:5 18.53 -5.78 C:4 20.92 -5.78 C:34 15.78 -17.46 C:24 13.87 -17.46 C:22 16.06 -12.86 C:18 18.53 -7.20 C:18 20.92 -7.20 O 19.73 -16.40 O 17.25 -17.82 C:19 13.60 -14.29 C:24 17.25 -12.13 C:40 18.53 -11.44 C:43 13.60 -15.71 C:40 14.82 -13.56 O 19.73 -9.29 C:125 18.53 -14.29 C:144 17.25 -13.56 C:69 18.53 -10.01 C:74 18.53 -15.71 C:68 17.25 -16.40 C:26 19.73 -6.48 C:34 14.82 -16.40 C:40 16.06 -14.29 C:53 16.06 -15.71 Si 19.73 -7.89 28 1 -2 2 20 1 3 22 1 4 25 1 5 25 1 6 25 1 26 7 -2 26 8 -1 27 9 -1 10 29 1 11 29 1 23 12 -1 24 13 -1 14 17 1 14 18 1 15 16 1 15 21 1 16 22 1 17 26 1 18 27 1 19 22 1 19 29 1 20 21 2 20 23 1 21 27 1 23 24 1 24 28 1 25 29 1 26 28 1 27 28 1', 'C24H46O3S', 414.329, 'C', 'tt08_8815_14', 3689, '', '', '1', 47, NULL, NULL),
(14403, '', '13-R/S-tert-Butyldimethylsilyloxy-14,15-dinor-labd-8-ene-6α,7α-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@@H:6](O)[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[Si]([CH3:13002])([CH3:13003])[C:13001]([CH3:13004])([CH3:13005])[CH3:13006])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@@H](O)[C@@H](O)C(C)=C(CCC(C)OS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:54]12[C@@H:75](O)[C@@H:80](O)[C:126]([CH3:15])=[C:144]([CH2:25][CH2:40][CH:69]([CH3:24])O[Si]([CH3:18])([CH3:18])[C:26]([CH3:4])([CH3:5])[CH3:5])[C@@:42]1([CH3:22])[CH2:39][CH2:19][CH2:44][C@@:34]2([CH3:22])[CH3:34]', '29 30 H 16.06 -16.64 C:17 19.73 -13.56 C:16 17.25 -9.29 C:13004 20.92 -5.78 C:13005 18.53 -5.78 C:13006 19.73 -5.07 C:19 13.87 -17.46 C:18 15.78 -17.46 C:20 16.06 -12.86 C:13002 20.92 -7.20 C:13003 18.53 -7.20 O 19.73 -16.40 O 17.25 -17.82 C:2 13.60 -14.29 C:11 17.25 -12.13 C:12 18.53 -11.44 C:3 13.60 -15.71 C:1 14.82 -13.56 O 19.73 -9.29 C:8 18.53 -14.29 C:9 17.25 -13.56 C:13 18.53 -10.01 C:7 18.53 -15.71 C:6 17.25 -16.40 C:13001 19.73 -6.48 C:4 14.82 -16.40 C:10 16.06 -14.29 C:5 16.06 -15.71 Si 19.73 -7.89 28 1 -2 2 20 1 3 22 1 4 25 1 5 25 1 6 25 1 26 7 -1 26 8 -2 27 9 -1 10 29 1 11 29 1 23 12 -2 24 13 -2 14 17 1 14 18 1 15 16 1 15 21 1 16 22 1 17 26 1 18 27 1 19 22 1 19 29 1 20 21 2 20 23 1 21 27 1 23 24 1 24 28 1 25 29 1 26 28 1 27 28 1', '29 30 H 16.06 -16.64 C 19.73 -13.56 C 17.25 -9.29 C 20.92 -5.78 C 18.53 -5.78 C 19.73 -5.07 C 13.87 -17.46 C 15.78 -17.46 C 16.06 -12.86 C 20.92 -7.20 C 18.53 -7.20 O 19.73 -16.40 O 17.25 -17.82 C 13.60 -14.29 C 17.25 -12.13 C 18.53 -11.44 C 13.60 -15.71 C 14.82 -13.56 O 19.73 -9.29 C 18.53 -14.29 C 17.25 -13.56 C 18.53 -10.01 C 18.53 -15.71 C 17.25 -16.40 C 19.73 -6.48 C 14.82 -16.40 C 16.06 -14.29 C 16.06 -15.71 Si 19.73 -7.89 28 1 -2 2 20 1 3 22 1 4 25 1 5 25 1 6 25 1 26 7 -1 26 8 -2 27 9 -1 10 29 1 11 29 1 23 12 -2 24 13 -2 14 17 1 14 18 1 15 16 1 15 21 1 16 22 1 17 26 1 18 27 1 19 22 1 19 29 1 20 21 2 20 23 1 21 27 1 23 24 1 24 28 1 25 29 1 26 28 1 27 28 1', '29 30 H 16.06 -16.64 C:15 19.73 -13.56 C:24 17.25 -9.29 C:4 20.92 -5.78 C:5 18.53 -5.78 C:5 19.73 -5.07 C:22 13.87 -17.46 C:34 15.78 -17.46 C:22 16.06 -12.86 C:18 20.92 -7.20 C:18 18.53 -7.20 O 19.73 -16.40 O 17.25 -17.82 C:19 13.60 -14.29 C:25 17.25 -12.13 C:40 18.53 -11.44 C:44 13.60 -15.71 C:39 14.82 -13.56 O 19.73 -9.29 C:126 18.53 -14.29 C:144 17.25 -13.56 C:69 18.53 -10.01 C:80 18.53 -15.71 C:75 17.25 -16.40 C:26 19.73 -6.48 C:34 14.82 -16.40 C:42 16.06 -14.29 C:54 16.06 -15.71 Si 19.73 -7.89 28 1 -2 2 20 1 3 22 1 4 25 1 5 25 1 6 25 1 26 7 -1 26 8 -2 27 9 -1 10 29 1 11 29 1 23 12 -2 24 13 -2 14 17 1 14 18 1 15 16 1 15 21 1 16 22 1 17 26 1 18 27 1 19 22 1 19 29 1 20 21 2 20 23 1 21 27 1 23 24 1 24 28 1 25 29 1 26 28 1 27 28 1', 'C24H46O3S', 414.329, 'C', 'tt08_8815_15', 3689, '', '', '1', 47, NULL, NULL),
(14404, '', '6β,7β-Carbonyldioxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinor-labd-8-eno', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[Si]([CH3:13002])([CH3:13003])[C:13001]([CH3:13004])([CH3:13005])[CH3:13006])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)OS(C)(C)C(C)(C)C)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:120]([CH3:16])=[C:150]([CH2:24][CH2:39][CH:69]([CH3:24])O[Si]([CH3:18])([CH3:18])[C:26]([CH3:5])([CH3:5])[CH3:5])[C@@:39]2([CH3:22])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '31 33 H 16.05 -15.95 C:17 19.71 -12.87 C:16 17.24 -8.61 C:13004 20.90 -5.10 C:13005 18.52 -5.10 C:13006 19.71 -4.39 C:19 13.86 -16.78 C:18 15.77 -16.78 C:20 16.05 -12.17 C:13002 20.90 -6.52 C:13003 18.52 -6.52 O 19.55 -18.50 C:2 13.59 -13.60 C:11 17.24 -11.44 C:12 18.52 -10.76 C:3 13.59 -15.02 C:1 14.81 -12.87 O 19.55 -16.01 O 17.52 -17.09 O 19.71 -8.61 C:7001 18.90 -17.27 C:8 18.52 -13.60 C:9 17.24 -12.87 C:13 18.52 -9.33 C:7 18.52 -15.02 C:6 17.24 -15.71 C:13001 19.71 -5.80 C:4 14.81 -15.71 C:10 16.05 -13.60 C:5 16.05 -15.02 Si 19.71 -7.21 30 1 -2 2 22 1 3 24 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 12 21 2 13 16 1 13 17 1 14 15 1 14 23 1 15 24 1 16 28 1 17 29 1 18 21 1 25 18 -1 19 21 1 26 19 -1 20 24 1 20 31 1 22 23 2 22 25 1 23 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', '31 33 H 16.05 -15.95 C 19.71 -12.87 C 17.24 -8.61 C 20.90 -5.10 C 18.52 -5.10 C 19.71 -4.39 C 13.86 -16.78 C 15.77 -16.78 C 16.05 -12.17 C 20.90 -6.52 C 18.52 -6.52 O 19.55 -18.50 C 13.59 -13.60 C 17.24 -11.44 C 18.52 -10.76 C 13.59 -15.02 C 14.81 -12.87 O 19.55 -16.01 O 17.52 -17.09 O 19.71 -8.61 C 18.90 -17.27 C 18.52 -13.60 C 17.24 -12.87 C 18.52 -9.33 C 18.52 -15.02 C 17.24 -15.71 C 19.71 -5.80 C 14.81 -15.71 C 16.05 -13.60 C 16.05 -15.02 Si 19.71 -7.21 30 1 -2 2 22 1 3 24 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 12 21 2 13 16 1 13 17 1 14 15 1 14 23 1 15 24 1 16 28 1 17 29 1 18 21 1 25 18 -1 19 21 1 26 19 -1 20 24 1 20 31 1 22 23 2 22 25 1 23 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', '31 33 H 16.05 -15.95 C:16 19.71 -12.87 C:24 17.24 -8.61 C:5 20.90 -5.10 C:5 18.52 -5.10 C:5 19.71 -4.39 C:24 13.86 -16.78 C:33 15.77 -16.78 C:22 16.05 -12.17 C:18 20.90 -6.52 C:18 18.52 -6.52 O 19.55 -18.50 C:19 13.59 -13.60 C:24 17.24 -11.44 C:39 18.52 -10.76 C:43 13.59 -15.02 C:39 14.81 -12.87 O 19.55 -16.01 O 17.52 -17.09 O 19.71 -8.61 C:155 18.90 -17.27 C:120 18.52 -13.60 C:150 17.24 -12.87 C:69 18.52 -9.33 C:79 18.52 -15.02 C:75 17.24 -15.71 C:26 19.71 -5.80 C:34 14.81 -15.71 C:39 16.05 -13.60 C:52 16.05 -15.02 Si 19.71 -7.21 30 1 -2 2 22 1 3 24 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 12 21 2 13 16 1 13 17 1 14 15 1 14 23 1 15 24 1 16 28 1 17 29 1 18 21 1 25 18 -1 19 21 1 26 19 -1 20 24 1 20 31 1 22 23 2 22 25 1 23 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', 'C25H44O4S', 440.339, 'C', 'tt08_8815_16', 3689, '', '', '1', 47, NULL, NULL),
(14405, '', '6β,7β-Carbonyldioxy-14,15-dinor-labd-8-en-13-R/S-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:156](=O)O[C@@H:79]1[C:121]([CH3:16])=[C:150]([CH2:24][CH2:40][CH:69]([CH3:24])O)[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@:34]3([CH3:33])[CH3:24]', '24 26 H 16.63 -13.79 C:17 20.29 -10.72 C:16 17.82 -6.47 C:18 16.36 -14.62 C:19 14.45 -14.62 C:20 16.63 -10.02 O 20.13 -16.34 O 20.29 -6.47 C:2 14.18 -11.45 C:11 17.82 -9.29 C:12 19.10 -8.61 C:3 14.18 -12.86 C:1 15.40 -10.72 O 20.13 -13.85 O 18.10 -14.93 C:7001 19.48 -15.11 C:8 19.10 -11.45 C:9 17.82 -10.72 C:13 19.10 -7.18 C:7 19.10 -12.86 C:6 17.82 -13.55 C:4 15.40 -13.55 C:10 16.63 -11.45 C:5 16.63 -12.86 24 1 -2 2 17 1 3 19 1 22 4 -2 22 5 -1 23 6 -1 7 16 2 8 19 1 9 12 1 9 13 1 10 11 1 10 18 1 11 19 1 12 22 1 13 23 1 14 16 1 20 14 -1 15 16 1 21 15 -1 17 18 2 17 20 1 18 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.63 -13.79 C 20.29 -10.72 C 17.82 -6.47 C 16.36 -14.62 C 14.45 -14.62 C 16.63 -10.02 O 20.13 -16.34 O 20.29 -6.47 C 14.18 -11.45 C 17.82 -9.29 C 19.10 -8.61 C 14.18 -12.86 C 15.40 -10.72 O 20.13 -13.85 O 18.10 -14.93 C 19.48 -15.11 C 19.10 -11.45 C 17.82 -10.72 C 19.10 -7.18 C 19.10 -12.86 C 17.82 -13.55 C 15.40 -13.55 C 16.63 -11.45 C 16.63 -12.86 24 1 -2 2 17 1 3 19 1 22 4 -2 22 5 -1 23 6 -1 7 16 2 8 19 1 9 12 1 9 13 1 10 11 1 10 18 1 11 19 1 12 22 1 13 23 1 14 16 1 20 14 -1 15 16 1 21 15 -1 17 18 2 17 20 1 18 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.63 -13.79 C:16 20.29 -10.72 C:24 17.82 -6.47 C:33 16.36 -14.62 C:24 14.45 -14.62 C:23 16.63 -10.02 O 20.13 -16.34 O 20.29 -6.47 C:19 14.18 -11.45 C:24 17.82 -9.29 C:40 19.10 -8.61 C:43 14.18 -12.86 C:39 15.40 -10.72 O 20.13 -13.85 O 18.10 -14.93 C:156 19.48 -15.11 C:121 19.10 -11.45 C:150 17.82 -10.72 C:69 19.10 -7.18 C:79 19.10 -12.86 C:75 17.82 -13.55 C:34 15.40 -13.55 C:39 16.63 -11.45 C:52 16.63 -12.86 24 1 -2 2 17 1 3 19 1 22 4 -2 22 5 -1 23 6 -1 7 16 2 8 19 1 9 12 1 9 13 1 10 11 1 10 18 1 11 19 1 12 22 1 13 23 1 14 16 1 20 14 -1 15 16 1 21 15 -1 17 18 2 17 20 1 18 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C19H30O4', 322.209, 'C', 'tt08_8815_17', 3689, '', '', '1', 47, NULL, NULL),
(14406, '', '6β,7β-Carbonyldioxy-14,15-dinor-labd-8-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:16])=[C:149]([CH2:22][CH2:44][C:208]([CH3:30])=O)[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '24 26 H 16.63 -13.79 C:16 17.82 -6.47 C:17 20.29 -10.73 C:19 14.45 -14.62 C:18 16.36 -14.62 C:20 16.63 -10.03 O 20.29 -6.47 O 20.13 -16.34 C:2 14.18 -11.46 C:12 19.10 -8.62 C:11 17.82 -9.30 C:3 14.18 -12.87 C:1 15.40 -10.73 O 20.13 -13.85 O 18.10 -14.93 C:13 19.10 -7.18 C:7001 19.48 -15.11 C:8 19.10 -11.46 C:9 17.82 -10.73 C:7 19.10 -12.87 C:6 17.82 -13.55 C:4 15.40 -13.55 C:10 16.63 -11.46 C:5 16.63 -12.87 24 1 -2 2 16 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 16 2 8 17 2 9 12 1 9 13 1 10 11 1 10 16 1 11 19 1 12 22 1 13 23 1 14 17 1 20 14 -1 15 17 1 21 15 -1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.63 -13.79 C 17.82 -6.47 C 20.29 -10.73 C 14.45 -14.62 C 16.36 -14.62 C 16.63 -10.03 O 20.29 -6.47 O 20.13 -16.34 C 14.18 -11.46 C 19.10 -8.62 C 17.82 -9.30 C 14.18 -12.87 C 15.40 -10.73 O 20.13 -13.85 O 18.10 -14.93 C 19.10 -7.18 C 19.48 -15.11 C 19.10 -11.46 C 17.82 -10.73 C 19.10 -12.87 C 17.82 -13.55 C 15.40 -13.55 C 16.63 -11.46 C 16.63 -12.87 24 1 -2 2 16 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 16 2 8 17 2 9 12 1 9 13 1 10 11 1 10 16 1 11 19 1 12 22 1 13 23 1 14 17 1 20 14 -1 15 17 1 21 15 -1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.63 -13.79 C:30 17.82 -6.47 C:16 20.29 -10.73 C:24 14.45 -14.62 C:33 16.36 -14.62 C:23 16.63 -10.03 O 20.29 -6.47 O 20.13 -16.34 C:19 14.18 -11.46 C:44 19.10 -8.62 C:22 17.82 -9.30 C:43 14.18 -12.87 C:39 15.40 -10.73 O 20.13 -13.85 O 18.10 -14.93 C:208 19.10 -7.18 C:155 19.48 -15.11 C:122 19.10 -11.46 C:149 17.82 -10.73 C:79 19.10 -12.87 C:75 17.82 -13.55 C:34 15.40 -13.55 C:39 16.63 -11.46 C:52 16.63 -12.87 24 1 -2 2 16 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 16 2 8 17 2 9 12 1 9 13 1 10 11 1 10 16 1 11 19 1 12 22 1 13 23 1 14 17 1 20 14 -1 15 17 1 21 15 -1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C19H28O4', 320.209, 'C', 'tt08_8815_6', 3689, '', '', '1', 47, NULL, NULL),
(14407, '', '7α-Acetoxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinorlabd-8-en-6α-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@@H:6](O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[Si]([CH3:13002])([CH3:13003])[C:13001]([CH3:13004])([CH3:13005])[CH3:13006])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@@H](O)[C@@H](OC(C)=O)C(C)=C(CCC(C)OS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:55]12[C@@H:74](O)[C@@H:84](O[C:174]([CH3:22])=O)[C:123]([CH3:15])=[C:148]([CH2:25][CH2:40][CH:69]([CH3:24])O[Si]([CH3:18])([CH3:18])[C:26]([CH3:4])([CH3:5])[CH3:5])[C@@:42]1([CH3:22])[CH2:39][CH2:19][CH2:44][C@@:34]2([CH3:22])[CH3:37]', '32 33 H 16.03 -16.27 C:7002 20.92 -18.13 C:17 19.71 -13.20 C:16 17.21 -8.94 C:13004 20.92 -5.44 C:13005 18.50 -5.44 C:13006 19.71 -4.73 C:19 13.84 -17.08 C:18 15.75 -17.08 C:20 16.03 -12.50 C:13002 20.92 -6.87 C:13003 18.50 -6.87 O 18.49 -18.13 O 17.21 -17.44 C:2 13.58 -13.92 C:11 17.21 -11.77 C:12 18.50 -11.08 C:3 13.58 -15.34 C:1 14.79 -13.20 O 19.71 -16.03 O 19.71 -8.94 C:7001 19.71 -17.42 C:8 18.50 -13.92 C:9 17.21 -13.20 C:13 18.49 -9.66 C:6 17.21 -16.03 C:7 18.49 -15.34 C:13001 19.71 -6.15 C:4 14.79 -16.03 C:10 16.03 -13.92 C:5 16.03 -15.34 Si 19.71 -7.56 31 1 -2 2 22 1 3 23 1 4 25 1 5 28 1 6 28 1 7 28 1 29 8 -1 29 9 -2 30 10 -1 11 32 1 12 32 1 13 22 2 26 14 -2 15 18 1 15 19 1 16 17 1 16 24 1 17 25 1 18 29 1 19 30 1 20 22 1 27 20 -2 21 25 1 21 32 1 23 24 2 23 27 1 24 30 1 26 27 1 26 31 1 28 32 1 29 31 1 30 31 1', '32 33 H 16.03 -16.27 C 20.92 -18.13 C 19.71 -13.20 C 17.21 -8.94 C 20.92 -5.44 C 18.50 -5.44 C 19.71 -4.73 C 13.84 -17.08 C 15.75 -17.08 C 16.03 -12.50 C 20.92 -6.87 C 18.50 -6.87 O 18.49 -18.13 O 17.21 -17.44 C 13.58 -13.92 C 17.21 -11.77 C 18.50 -11.08 C 13.58 -15.34 C 14.79 -13.20 O 19.71 -16.03 O 19.71 -8.94 C 19.71 -17.42 C 18.50 -13.92 C 17.21 -13.20 C 18.49 -9.66 C 17.21 -16.03 C 18.49 -15.34 C 19.71 -6.15 C 14.79 -16.03 C 16.03 -13.92 C 16.03 -15.34 Si 19.71 -7.56 31 1 -2 2 22 1 3 23 1 4 25 1 5 28 1 6 28 1 7 28 1 29 8 -1 29 9 -2 30 10 -1 11 32 1 12 32 1 13 22 2 26 14 -2 15 18 1 15 19 1 16 17 1 16 24 1 17 25 1 18 29 1 19 30 1 20 22 1 27 20 -2 21 25 1 21 32 1 23 24 2 23 27 1 24 30 1 26 27 1 26 31 1 28 32 1 29 31 1 30 31 1', '32 33 H 16.03 -16.27 C:22 20.92 -18.13 C:15 19.71 -13.20 C:24 17.21 -8.94 C:4 20.92 -5.44 C:5 18.50 -5.44 C:5 19.71 -4.73 C:22 13.84 -17.08 C:37 15.75 -17.08 C:22 16.03 -12.50 C:18 20.92 -6.87 C:18 18.50 -6.87 O 18.49 -18.13 O 17.21 -17.44 C:19 13.58 -13.92 C:25 17.21 -11.77 C:40 18.50 -11.08 C:44 13.58 -15.34 C:39 14.79 -13.20 O 19.71 -16.03 O 19.71 -8.94 C:174 19.71 -17.42 C:123 18.50 -13.92 C:148 17.21 -13.20 C:69 18.49 -9.66 C:74 17.21 -16.03 C:84 18.49 -15.34 C:26 19.71 -6.15 C:34 14.79 -16.03 C:42 16.03 -13.92 C:55 16.03 -15.34 Si 19.71 -7.56 31 1 -2 2 22 1 3 23 1 4 25 1 5 28 1 6 28 1 7 28 1 29 8 -1 29 9 -2 30 10 -1 11 32 1 12 32 1 13 22 2 26 14 -2 15 18 1 15 19 1 16 17 1 16 24 1 17 25 1 18 29 1 19 30 1 20 22 1 27 20 -2 21 25 1 21 32 1 23 24 2 23 27 1 24 30 1 26 27 1 26 31 1 28 32 1 29 31 1 30 31 1', 'C26H48O4S', 456.35, 'C', 'tt08_8815_18', 3689, '', '', '1', 47, NULL, NULL),
(14408, '', '6α-Acetoxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinorlabd-8-en-7α-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[Si]([CH3:13002])([CH3:13003])[C:13001]([CH3:13004])([CH3:13005])[CH3:13006])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@@H](OC(C)=O)[C@@H](O)C(C)=C(CCC(C)OS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:53]12[C@@H:79](O[C:173]([CH3:26])=O)[C@@H:79](O)[C:127]([CH3:15])=[C:145]([CH2:25][CH2:40][CH:69]([CH3:24])O[Si]([CH3:18])([CH3:18])[C:22]([CH3:4])([CH3:5])[CH3:5])[C@@:42]1([CH3:22])[CH2:40][CH2:19][CH2:44][C@@:33]2([CH3:22])[CH3:36]', '32 33 H 16.04 -15.56 C:6002 18.42 -18.84 C:17 19.72 -12.48 C:16 17.22 -8.21 C:13004 20.93 -4.71 C:13005 18.51 -4.71 C:13006 19.72 -4.00 C:19 13.85 -16.37 C:18 15.76 -16.37 C:20 16.04 -11.78 C:13002 20.93 -6.13 C:13003 18.51 -6.13 O 19.65 -16.73 O 19.72 -15.32 C:2 13.59 -13.20 C:11 17.22 -11.05 C:12 18.51 -10.35 C:3 13.59 -14.64 C:1 14.81 -12.48 O 17.22 -16.73 O 19.72 -8.21 C:6001 18.42 -17.44 C:8 18.51 -13.20 C:9 17.22 -12.48 C:13 18.51 -8.93 C:7 18.51 -14.64 C:6 17.22 -15.32 C:13001 19.72 -5.41 C:4 14.81 -15.32 C:10 16.04 -13.20 C:5 16.04 -14.64 Si 19.72 -6.82 31 1 -2 2 22 1 3 23 1 4 25 1 5 28 1 6 28 1 7 28 1 29 8 -1 29 9 -2 30 10 -1 11 32 1 12 32 1 13 22 2 26 14 -2 15 18 1 15 19 1 16 17 1 16 24 1 17 25 1 18 29 1 19 30 1 20 22 1 27 20 -2 21 25 1 21 32 1 23 24 2 23 26 1 24 30 1 26 27 1 27 31 1 28 32 1 29 31 1 30 31 1', '32 33 H 16.04 -15.56 C 18.42 -18.84 C 19.72 -12.48 C 17.22 -8.21 C 20.93 -4.71 C 18.51 -4.71 C 19.72 -4.00 C 13.85 -16.37 C 15.76 -16.37 C 16.04 -11.78 C 20.93 -6.13 C 18.51 -6.13 O 19.65 -16.73 O 19.72 -15.32 C 13.59 -13.20 C 17.22 -11.05 C 18.51 -10.35 C 13.59 -14.64 C 14.81 -12.48 O 17.22 -16.73 O 19.72 -8.21 C 18.42 -17.44 C 18.51 -13.20 C 17.22 -12.48 C 18.51 -8.93 C 18.51 -14.64 C 17.22 -15.32 C 19.72 -5.41 C 14.81 -15.32 C 16.04 -13.20 C 16.04 -14.64 Si 19.72 -6.82 31 1 -2 2 22 1 3 23 1 4 25 1 5 28 1 6 28 1 7 28 1 29 8 -1 29 9 -2 30 10 -1 11 32 1 12 32 1 13 22 2 26 14 -2 15 18 1 15 19 1 16 17 1 16 24 1 17 25 1 18 29 1 19 30 1 20 22 1 27 20 -2 21 25 1 21 32 1 23 24 2 23 26 1 24 30 1 26 27 1 27 31 1 28 32 1 29 31 1 30 31 1', '32 33 H 16.04 -15.56 C:26 18.42 -18.84 C:15 19.72 -12.48 C:24 17.22 -8.21 C:4 20.93 -4.71 C:5 18.51 -4.71 C:5 19.72 -4.00 C:22 13.85 -16.37 C:36 15.76 -16.37 C:22 16.04 -11.78 C:18 20.93 -6.13 C:18 18.51 -6.13 O 19.65 -16.73 O 19.72 -15.32 C:19 13.59 -13.20 C:25 17.22 -11.05 C:40 18.51 -10.35 C:44 13.59 -14.64 C:40 14.81 -12.48 O 17.22 -16.73 O 19.72 -8.21 C:173 18.42 -17.44 C:127 18.51 -13.20 C:145 17.22 -12.48 C:69 18.51 -8.93 C:79 18.51 -14.64 C:79 17.22 -15.32 C:22 19.72 -5.41 C:33 14.81 -15.32 C:42 16.04 -13.20 C:53 16.04 -14.64 Si 19.72 -6.82 31 1 -2 2 22 1 3 23 1 4 25 1 5 28 1 6 28 1 7 28 1 29 8 -1 29 9 -2 30 10 -1 11 32 1 12 32 1 13 22 2 26 14 -2 15 18 1 15 19 1 16 17 1 16 24 1 17 25 1 18 29 1 19 30 1 20 22 1 27 20 -2 21 25 1 21 32 1 23 24 2 23 26 1 24 30 1 26 27 1 27 31 1 28 32 1 29 31 1 30 31 1', 'C26H48O4S', 456.35, 'C', 'tt08_8815_19', 3689, '', '', '1', 47, NULL, NULL),
(14409, '', '7β-Acetoxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinorlabd-8-en-6-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C:6](=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][CH:13]([CH3:16])O[Si]([CH3:13003])([CH3:13002])[C:13001]([CH3:13006])([CH3:13005])[CH3:13004])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12C(=O)[C@H](OC(C)=O)C(C)=C(CCC(C)OS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:63]12[C:204](=O)[C@H:78](O[C:171]([CH3:26])=O)[C:124]([CH3:15])=[C:148]([CH2:25][CH2:40][CH:69]([CH3:24])O[Si]([CH3:18])([CH3:18])[C:22]([CH3:5])([CH3:5])[CH3:4])[C@@:47]1([CH3:21])[CH2:40][CH2:19][CH2:42][C@:33]2([CH3:33])[CH3:22]', '32 33 H 15.42 -16.62 C:7002 21.53 -16.38 C:17 19.10 -13.55 C:16 16.61 -9.29 C:13006 19.10 -5.07 C:13005 17.90 -5.78 C:13004 20.32 -5.78 C:18 15.14 -17.43 C:19 13.24 -17.43 C:20 15.42 -12.85 C:13003 17.90 -7.20 C:13002 20.32 -7.20 O 20.32 -14.27 O 16.61 -17.80 C:2 12.98 -14.27 C:11 16.61 -12.12 C:12 17.90 -11.41 C:3 12.98 -15.70 C:1 14.19 -13.55 O 19.10 -16.38 O 19.10 -9.29 C:7001 20.32 -15.70 C:8 17.90 -14.27 C:6 16.61 -16.38 C:9 16.61 -13.55 C:13 17.90 -10.00 C:7 17.90 -15.70 C:13001 19.10 -6.48 C:4 14.19 -16.38 C:10 15.42 -14.27 C:5 15.42 -15.70 Si 19.10 -7.90 31 1 -2 2 22 1 3 23 1 4 26 1 5 28 1 6 28 1 7 28 1 29 8 -2 29 9 -1 30 10 -1 11 32 1 12 32 1 13 22 2 14 24 2 15 18 1 15 19 1 16 17 1 16 25 1 17 26 1 18 29 1 19 30 1 20 22 1 27 20 -1 21 26 1 21 32 1 23 25 2 23 27 1 24 27 1 24 31 1 25 30 1 28 32 1 29 31 1 30 31 1', '32 33 H 15.42 -16.62 C 21.53 -16.38 C 19.10 -13.55 C 16.61 -9.29 C 19.10 -5.07 C 17.90 -5.78 C 20.32 -5.78 C 15.14 -17.43 C 13.24 -17.43 C 15.42 -12.85 C 17.90 -7.20 C 20.32 -7.20 O 20.32 -14.27 O 16.61 -17.80 C 12.98 -14.27 C 16.61 -12.12 C 17.90 -11.41 C 12.98 -15.70 C 14.19 -13.55 O 19.10 -16.38 O 19.10 -9.29 C 20.32 -15.70 C 17.90 -14.27 C 16.61 -16.38 C 16.61 -13.55 C 17.90 -10.00 C 17.90 -15.70 C 19.10 -6.48 C 14.19 -16.38 C 15.42 -14.27 C 15.42 -15.70 Si 19.10 -7.90 31 1 -2 2 22 1 3 23 1 4 26 1 5 28 1 6 28 1 7 28 1 29 8 -2 29 9 -1 30 10 -1 11 32 1 12 32 1 13 22 2 14 24 2 15 18 1 15 19 1 16 17 1 16 25 1 17 26 1 18 29 1 19 30 1 20 22 1 27 20 -1 21 26 1 21 32 1 23 25 2 23 27 1 24 27 1 24 31 1 25 30 1 28 32 1 29 31 1 30 31 1', '32 33 H 15.42 -16.62 C:26 21.53 -16.38 C:15 19.10 -13.55 C:24 16.61 -9.29 C:5 19.10 -5.07 C:5 17.90 -5.78 C:4 20.32 -5.78 C:33 15.14 -17.43 C:22 13.24 -17.43 C:21 15.42 -12.85 C:18 17.90 -7.20 C:18 20.32 -7.20 O 20.32 -14.27 O 16.61 -17.80 C:19 12.98 -14.27 C:25 16.61 -12.12 C:40 17.90 -11.41 C:42 12.98 -15.70 C:40 14.19 -13.55 O 19.10 -16.38 O 19.10 -9.29 C:171 20.32 -15.70 C:124 17.90 -14.27 C:204 16.61 -16.38 C:148 16.61 -13.55 C:69 17.90 -10.00 C:78 17.90 -15.70 C:22 19.10 -6.48 C:33 14.19 -16.38 C:47 15.42 -14.27 C:63 15.42 -15.70 Si 19.10 -7.90 31 1 -2 2 22 1 3 23 1 4 26 1 5 28 1 6 28 1 7 28 1 29 8 -2 29 9 -1 30 10 -1 11 32 1 12 32 1 13 22 2 14 24 2 15 18 1 15 19 1 16 17 1 16 25 1 17 26 1 18 29 1 19 30 1 20 22 1 27 20 -1 21 26 1 21 32 1 23 25 2 23 27 1 24 27 1 24 31 1 25 30 1 28 32 1 29 31 1 30 31 1', 'C26H46O4S', 454.35, 'C', 'tt08_8815_20', 3689, '', '', '1', 47, NULL, NULL),
(14410, '', 'Methyl 6β,7β-carbonildioxi-labda-8,13E-dien-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH3:15001])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=CC(=O)OC)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:16])=[C:149]([CH2:27][CH2:41][C:159]([CH3:19])=[CH:115][C:167](=O)O[CH3:51])[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '28 30 H 16.02 -15.55 C:15001 20.94 -4.75 C:16 17.21 -8.22 C:17 19.72 -12.49 C:19 13.85 -16.36 C:18 15.74 -16.36 C:20 16.02 -11.78 O 18.52 -6.14 O 19.52 -18.12 C:14 19.72 -8.22 C:2 13.59 -13.20 C:12 18.52 -10.35 C:11 17.21 -11.05 C:3 13.59 -14.63 C:1 14.80 -12.49 O 20.94 -6.14 O 19.52 -15.63 O 17.48 -16.68 C:13 18.52 -8.93 C:15 19.72 -6.82 C:7001 18.87 -16.88 C:8 18.52 -13.20 C:9 17.21 -12.49 C:7 18.52 -14.63 C:6 17.21 -15.31 C:4 14.80 -15.31 C:10 16.02 -13.20 C:5 16.02 -14.63 28 1 -2 2 16 1 3 19 1 4 22 1 26 5 -1 26 6 -2 27 7 -1 8 20 2 9 21 2 10 19 2 10 20 1 11 14 1 11 15 1 12 13 1 12 19 1 13 23 1 14 26 1 15 27 1 16 20 1 17 21 1 24 17 -1 18 21 1 25 18 -1 22 23 2 22 24 1 23 27 1 24 25 1 25 28 1 26 28 1 27 28 1', '28 30 H 16.02 -15.55 C 20.94 -4.75 C 17.21 -8.22 C 19.72 -12.49 C 13.85 -16.36 C 15.74 -16.36 C 16.02 -11.78 O 18.52 -6.14 O 19.52 -18.12 C 19.72 -8.22 C 13.59 -13.20 C 18.52 -10.35 C 17.21 -11.05 C 13.59 -14.63 C 14.80 -12.49 O 20.94 -6.14 O 19.52 -15.63 O 17.48 -16.68 C 18.52 -8.93 C 19.72 -6.82 C 18.87 -16.88 C 18.52 -13.20 C 17.21 -12.49 C 18.52 -14.63 C 17.21 -15.31 C 14.80 -15.31 C 16.02 -13.20 C 16.02 -14.63 28 1 -2 2 16 1 3 19 1 4 22 1 26 5 -1 26 6 -2 27 7 -1 8 20 2 9 21 2 10 19 2 10 20 1 11 14 1 11 15 1 12 13 1 12 19 1 13 23 1 14 26 1 15 27 1 16 20 1 17 21 1 24 17 -1 18 21 1 25 18 -1 22 23 2 22 24 1 23 27 1 24 25 1 25 28 1 26 28 1 27 28 1', '28 30 H 16.02 -15.55 C:51 20.94 -4.75 C:19 17.21 -8.22 C:16 19.72 -12.49 C:24 13.85 -16.36 C:33 15.74 -16.36 C:23 16.02 -11.78 O 18.52 -6.14 O 19.52 -18.12 C:115 19.72 -8.22 C:19 13.59 -13.20 C:41 18.52 -10.35 C:27 17.21 -11.05 C:43 13.59 -14.63 C:39 14.80 -12.49 O 20.94 -6.14 O 19.52 -15.63 O 17.48 -16.68 C:159 18.52 -8.93 C:167 19.72 -6.82 C:155 18.87 -16.88 C:122 18.52 -13.20 C:149 17.21 -12.49 C:79 18.52 -14.63 C:75 17.21 -15.31 C:34 14.80 -15.31 C:39 16.02 -13.20 C:52 16.02 -14.63 28 1 -2 2 16 1 3 19 1 4 22 1 26 5 -1 26 6 -2 27 7 -1 8 20 2 9 21 2 10 19 2 10 20 1 11 14 1 11 15 1 12 13 1 12 19 1 13 23 1 14 26 1 15 27 1 16 20 1 17 21 1 24 17 -1 18 21 1 25 18 -1 22 23 2 22 24 1 23 27 1 24 25 1 25 28 1 26 28 1 27 28 1', 'C22H32O5', 376.24, 'C', 'tt08_8815_21', 3689, '', '', '1', 47, NULL, NULL),
(14411, '', 'Labda-8,13E-dien-6β,7β,15-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CCC(C)=CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:53]12[C@H:68](O)[C@H:74](O)[C:126]([CH3:15])=[C:144]([CH2:27][CH2:40][C:140]([CH3:17])=[CH:123][CH2:60]O)[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:34]', '24 25 H 16.60 -15.57 C:16 17.78 -8.24 C:17 20.30 -12.51 C:19 14.42 -16.39 C:18 16.32 -16.39 C:20 16.60 -11.81 O 19.08 -6.17 O 20.30 -15.33 O 17.78 -16.73 C:14 20.30 -8.24 C:15 20.30 -6.85 C:2 14.16 -13.22 C:12 19.08 -10.37 C:11 17.78 -11.07 C:3 14.16 -14.65 C:1 15.37 -12.51 C:13 19.08 -8.95 C:8 19.08 -13.22 C:9 17.78 -12.51 C:7 19.08 -14.65 C:6 17.78 -15.33 C:4 15.37 -15.33 C:10 16.60 -13.22 C:5 16.60 -14.65 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -1 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 16.60 -15.57 C 17.78 -8.24 C 20.30 -12.51 C 14.42 -16.39 C 16.32 -16.39 C 16.60 -11.81 O 19.08 -6.17 O 20.30 -15.33 O 17.78 -16.73 C 20.30 -8.24 C 20.30 -6.85 C 14.16 -13.22 C 19.08 -10.37 C 17.78 -11.07 C 14.16 -14.65 C 15.37 -12.51 C 19.08 -8.95 C 19.08 -13.22 C 17.78 -12.51 C 19.08 -14.65 C 17.78 -15.33 C 15.37 -15.33 C 16.60 -13.22 C 16.60 -14.65 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -1 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 16.60 -15.57 C:17 17.78 -8.24 C:15 20.30 -12.51 C:24 14.42 -16.39 C:34 16.32 -16.39 C:22 16.60 -11.81 O 19.08 -6.17 O 20.30 -15.33 O 17.78 -16.73 C:123 20.30 -8.24 C:60 20.30 -6.85 C:19 14.16 -13.22 C:40 19.08 -10.37 C:27 17.78 -11.07 C:43 14.16 -14.65 C:40 15.37 -12.51 C:140 19.08 -8.95 C:126 19.08 -13.22 C:144 17.78 -12.51 C:74 19.08 -14.65 C:68 17.78 -15.33 C:34 15.37 -15.33 C:40 16.60 -13.22 C:53 16.60 -14.65 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -1 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C20H34O3', 322.22, 'C', 'tt08_8815_22', 3689, '', '', '1', 47, 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
(14412, '', '15-tert-Butyldimethylsilyloxy-labda-8,13E-dien-6β,7β-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[Si]([CH3:15002])([CH3:15003])[C:15001]([CH3:15005])([CH3:15004])[CH3:15006])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CCC(C)=CCOS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:53]12[C@H:68](O)[C@H:73](O)[C:125]([CH3:15])=[C:144]([CH2:27][CH2:40][C:138]([CH3:17])=[CH:124][CH2:61]O[Si]([CH3:19])([CH3:19])[C:26]([CH3:5])([CH3:5])[CH3:5])[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:34]', '31 32 H 16.64 -17.67 C:16 17.84 -10.33 C:17 20.35 -14.63 C:15005 20.35 -4.77 C:15004 17.91 -4.77 C:15006 19.13 -4.07 C:19 14.45 -18.49 C:18 16.36 -18.49 C:20 16.64 -13.91 C:15002 17.91 -6.17 C:15003 20.35 -6.17 O 20.35 -17.43 O 17.84 -18.83 C:14 20.35 -10.33 C:15 20.35 -8.93 C:2 14.19 -15.34 C:12 19.13 -12.48 C:11 17.84 -13.18 C:3 14.19 -16.76 C:1 15.41 -14.63 O 19.13 -8.25 C:13 19.13 -11.04 C:8 19.13 -15.34 C:9 17.84 -14.63 C:7 19.13 -16.76 C:6 17.84 -17.43 C:15001 19.13 -5.46 C:4 15.41 -17.43 C:10 16.64 -15.34 C:5 16.64 -16.76 Si 19.13 -6.86 30 1 -2 2 22 1 3 23 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 25 12 -1 26 13 -1 14 15 1 14 22 2 15 21 1 16 19 1 16 20 1 17 18 1 17 22 1 18 24 1 19 28 1 20 29 1 21 31 1 23 24 2 23 25 1 24 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', '31 32 H 16.64 -17.67 C 17.84 -10.33 C 20.35 -14.63 C 20.35 -4.77 C 17.91 -4.77 C 19.13 -4.07 C 14.45 -18.49 C 16.36 -18.49 C 16.64 -13.91 C 17.91 -6.17 C 20.35 -6.17 O 20.35 -17.43 O 17.84 -18.83 C 20.35 -10.33 C 20.35 -8.93 C 14.19 -15.34 C 19.13 -12.48 C 17.84 -13.18 C 14.19 -16.76 C 15.41 -14.63 O 19.13 -8.25 C 19.13 -11.04 C 19.13 -15.34 C 17.84 -14.63 C 19.13 -16.76 C 17.84 -17.43 C 19.13 -5.46 C 15.41 -17.43 C 16.64 -15.34 C 16.64 -16.76 Si 19.13 -6.86 30 1 -2 2 22 1 3 23 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 25 12 -1 26 13 -1 14 15 1 14 22 2 15 21 1 16 19 1 16 20 1 17 18 1 17 22 1 18 24 1 19 28 1 20 29 1 21 31 1 23 24 2 23 25 1 24 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', '31 32 H 16.64 -17.67 C:17 17.84 -10.33 C:15 20.35 -14.63 C:5 20.35 -4.77 C:5 17.91 -4.77 C:5 19.13 -4.07 C:24 14.45 -18.49 C:34 16.36 -18.49 C:22 16.64 -13.91 C:19 17.91 -6.17 C:19 20.35 -6.17 O 20.35 -17.43 O 17.84 -18.83 C:124 20.35 -10.33 C:61 20.35 -8.93 C:19 14.19 -15.34 C:40 19.13 -12.48 C:27 17.84 -13.18 C:43 14.19 -16.76 C:40 15.41 -14.63 O 19.13 -8.25 C:138 19.13 -11.04 C:125 19.13 -15.34 C:144 17.84 -14.63 C:73 19.13 -16.76 C:68 17.84 -17.43 C:26 19.13 -5.46 C:34 15.41 -17.43 C:40 16.64 -15.34 C:53 16.64 -16.76 Si 19.13 -6.86 30 1 -2 2 22 1 3 23 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 25 12 -1 26 13 -1 14 15 1 14 22 2 15 21 1 16 19 1 16 20 1 17 18 1 17 22 1 18 24 1 19 28 1 20 29 1 21 31 1 23 24 2 23 25 1 24 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', 'C26H48O3S', 440.35, 'C', 'tt08_8815_23', 3689, '', '', '1', 47, NULL, NULL),
(14413, '', '6β,7β-Carbonyldioxy-15-tert-butyldimethylsilyloxy-labda-8,13E-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[Si]([CH3:15002])([CH3:15003])[C:15001]([CH3:15005])([CH3:15004])[CH3:15006])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=CCOS(C)(C)C(C)(C)C)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:51]23[C@@H:75]1O[C:155](=O)O[C@@H:78]1[C:121]([CH3:16])=[C:149]([CH2:26][CH2:38][C:136]([CH3:16])=[CH:124][CH2:60]O[Si]([CH3:18])([CH3:18])[C:26]([CH3:6])([CH3:6])[CH3:6])[C@@:38]2([CH3:22])[CH2:39][CH2:18][CH2:42][C@@:34]3([CH3:23])[CH3:32]', '33 35 H 16.64 -16.94 C:16 17.84 -9.60 C:17 20.35 -13.90 C:15005 20.35 -4.04 C:15004 17.91 -4.04 C:15006 19.13 -3.34 C:19 14.45 -17.76 C:18 16.36 -17.76 C:20 16.64 -13.18 C:15002 17.91 -5.44 C:15003 20.35 -5.44 O 20.11 -19.53 C:14 20.35 -9.60 C:15 20.35 -8.20 C:2 14.19 -14.61 C:12 19.13 -11.75 C:11 17.84 -12.45 C:3 14.19 -16.03 C:1 15.41 -13.90 O 19.13 -7.52 O 20.11 -17.03 O 18.09 -18.07 C:13 19.13 -10.31 C:7001 19.47 -18.28 C:8 19.13 -14.61 C:9 17.84 -13.90 C:7 19.13 -16.03 C:6 17.84 -16.70 C:15001 19.13 -4.73 C:4 15.41 -16.70 C:10 16.64 -14.61 C:5 16.64 -16.03 Si 19.13 -6.13 32 1 -2 2 23 1 3 25 1 4 29 1 5 29 1 6 29 1 30 7 -1 30 8 -2 31 9 -1 10 33 1 11 33 1 12 24 2 13 14 1 13 23 2 14 20 1 15 18 1 15 19 1 16 17 1 16 23 1 17 26 1 18 30 1 19 31 1 20 33 1 21 24 1 27 21 -1 22 24 1 28 22 -1 25 26 2 25 27 1 26 31 1 27 28 1 28 32 1 29 33 1 30 32 1 31 32 1', '33 35 H 16.64 -16.94 C 17.84 -9.60 C 20.35 -13.90 C 20.35 -4.04 C 17.91 -4.04 C 19.13 -3.34 C 14.45 -17.76 C 16.36 -17.76 C 16.64 -13.18 C 17.91 -5.44 C 20.35 -5.44 O 20.11 -19.53 C 20.35 -9.60 C 20.35 -8.20 C 14.19 -14.61 C 19.13 -11.75 C 17.84 -12.45 C 14.19 -16.03 C 15.41 -13.90 O 19.13 -7.52 O 20.11 -17.03 O 18.09 -18.07 C 19.13 -10.31 C 19.47 -18.28 C 19.13 -14.61 C 17.84 -13.90 C 19.13 -16.03 C 17.84 -16.70 C 19.13 -4.73 C 15.41 -16.70 C 16.64 -14.61 C 16.64 -16.03 Si 19.13 -6.13 32 1 -2 2 23 1 3 25 1 4 29 1 5 29 1 6 29 1 30 7 -1 30 8 -2 31 9 -1 10 33 1 11 33 1 12 24 2 13 14 1 13 23 2 14 20 1 15 18 1 15 19 1 16 17 1 16 23 1 17 26 1 18 30 1 19 31 1 20 33 1 21 24 1 27 21 -1 22 24 1 28 22 -1 25 26 2 25 27 1 26 31 1 27 28 1 28 32 1 29 33 1 30 32 1 31 32 1', '33 35 H 16.64 -16.94 C:16 17.84 -9.60 C:16 20.35 -13.90 C:6 20.35 -4.04 C:6 17.91 -4.04 C:6 19.13 -3.34 C:23 14.45 -17.76 C:32 16.36 -17.76 C:22 16.64 -13.18 C:18 17.91 -5.44 C:18 20.35 -5.44 O 20.11 -19.53 C:124 20.35 -9.60 C:60 20.35 -8.20 C:18 14.19 -14.61 C:38 19.13 -11.75 C:26 17.84 -12.45 C:42 14.19 -16.03 C:39 15.41 -13.90 O 19.13 -7.52 O 20.11 -17.03 O 18.09 -18.07 C:136 19.13 -10.31 C:155 19.47 -18.28 C:121 19.13 -14.61 C:149 17.84 -13.90 C:78 19.13 -16.03 C:75 17.84 -16.70 C:26 19.13 -4.73 C:34 15.41 -16.70 C:38 16.64 -14.61 C:51 16.64 -16.03 Si 19.13 -6.13 32 1 -2 2 23 1 3 25 1 4 29 1 5 29 1 6 29 1 30 7 -1 30 8 -2 31 9 -1 10 33 1 11 33 1 12 24 2 13 14 1 13 23 2 14 20 1 15 18 1 15 19 1 16 17 1 16 23 1 17 26 1 18 30 1 19 31 1 20 33 1 21 24 1 27 21 -1 22 24 1 28 22 -1 25 26 2 25 27 1 26 31 1 27 28 1 28 32 1 29 33 1 30 32 1 31 32 1', 'C27H46O4S', 466.36, 'C', 'tt08_8815_24', 3689, '', '', '1', 47, NULL, NULL),
(14414, '', '6β,7β-Carbonyldioxy-labda-8,13E-dien-15-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=CCO)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:121]([CH3:16])=[C:149]([CH2:27][CH2:38][C:139]([CH3:16])=[CH:123][CH2:59]O)[C@@:39]2([CH3:22])[CH2:39][CH2:19][CH2:43][C@:34]3([CH3:33])[CH3:24]', '26 28 H 16.61 -14.84 C:16 17.81 -7.52 C:17 20.32 -11.81 C:18 16.33 -15.66 C:19 14.42 -15.66 C:20 16.61 -11.09 O 20.08 -17.43 O 19.10 -5.44 C:14 20.32 -7.52 C:15 20.32 -6.12 C:2 14.16 -12.52 C:12 19.10 -9.67 C:11 17.81 -10.36 C:3 14.16 -13.93 C:1 15.38 -11.81 O 20.08 -14.93 O 18.06 -15.97 C:13 19.10 -8.23 C:8 19.10 -12.52 C:7001 19.44 -16.18 C:9 17.81 -11.81 C:7 19.10 -13.93 C:6 17.81 -14.60 C:4 15.38 -14.60 C:10 16.61 -12.52 C:5 16.61 -13.93 26 1 -2 2 18 1 3 19 1 24 4 -2 24 5 -1 25 6 -1 7 20 2 8 10 1 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 13 21 1 14 24 1 15 25 1 16 20 1 22 16 -1 17 20 1 23 17 -1 19 21 2 19 22 1 21 25 1 22 23 1 23 26 1 24 26 1 25 26 1', '26 28 H 16.61 -14.84 C 17.81 -7.52 C 20.32 -11.81 C 16.33 -15.66 C 14.42 -15.66 C 16.61 -11.09 O 20.08 -17.43 O 19.10 -5.44 C 20.32 -7.52 C 20.32 -6.12 C 14.16 -12.52 C 19.10 -9.67 C 17.81 -10.36 C 14.16 -13.93 C 15.38 -11.81 O 20.08 -14.93 O 18.06 -15.97 C 19.10 -8.23 C 19.10 -12.52 C 19.44 -16.18 C 17.81 -11.81 C 19.10 -13.93 C 17.81 -14.60 C 15.38 -14.60 C 16.61 -12.52 C 16.61 -13.93 26 1 -2 2 18 1 3 19 1 24 4 -2 24 5 -1 25 6 -1 7 20 2 8 10 1 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 13 21 1 14 24 1 15 25 1 16 20 1 22 16 -1 17 20 1 23 17 -1 19 21 2 19 22 1 21 25 1 22 23 1 23 26 1 24 26 1 25 26 1', '26 28 H 16.61 -14.84 C:16 17.81 -7.52 C:16 20.32 -11.81 C:33 16.33 -15.66 C:24 14.42 -15.66 C:22 16.61 -11.09 O 20.08 -17.43 O 19.10 -5.44 C:123 20.32 -7.52 C:59 20.32 -6.12 C:19 14.16 -12.52 C:38 19.10 -9.67 C:27 17.81 -10.36 C:43 14.16 -13.93 C:39 15.38 -11.81 O 20.08 -14.93 O 18.06 -15.97 C:139 19.10 -8.23 C:121 19.10 -12.52 C:155 19.44 -16.18 C:149 17.81 -11.81 C:79 19.10 -13.93 C:75 17.81 -14.60 C:34 15.38 -14.60 C:39 16.61 -12.52 C:52 16.61 -13.93 26 1 -2 2 18 1 3 19 1 24 4 -2 24 5 -1 25 6 -1 7 20 2 8 10 1 9 10 1 9 18 2 11 14 1 11 15 1 12 13 1 12 18 1 13 21 1 14 24 1 15 25 1 16 20 1 22 16 -1 17 20 1 23 17 -1 19 21 2 19 22 1 21 25 1 22 23 1 23 26 1 24 26 1 25 26 1', 'C21H32O4', 348.23, 'C', 'tt08_8815_25', 3689, '', '', '1', 47, NULL, NULL),
(14415, '', '13R,14R-Epoxy-6β,7β-carbonyldioxy-labd-8-en-15-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:16])O[C@H:14]2[CH2:15]O)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@@H]1OC(=O)O[C@@H]1C(C)=C(CC[C@]2(C)O[C@H]2CO)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:52]34[C@@H:75]1O[C:156](=O)O[C@@H:79]1[C:122]([CH3:16])=[C:149]([CH2:23][CH2:38][C@:61]2([CH3:17])O[C@H:63]2[CH2:62]O)[C@@:39]3([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]4([CH3:24])[CH3:33]', '27 30 H 16.61 -14.84 C:17 20.32 -11.81 C:19 14.42 -15.66 C:18 16.33 -15.66 C:16 17.81 -7.52 C:20 16.61 -11.09 O 20.08 -17.43 O 19.10 -5.44 C:2 14.16 -12.52 C:15 20.32 -6.12 C:11 17.81 -10.36 C:3 14.16 -13.93 C:1 15.38 -11.81 C:12 19.10 -9.67 O 20.08 -14.93 O 18.06 -15.97 O 20.32 -8.92 C:7001 19.44 -16.18 C:8 19.10 -12.52 C:9 17.81 -11.81 C:14 20.32 -7.52 C:7 19.10 -13.93 C:6 17.81 -14.60 C:4 15.38 -14.60 C:13 19.10 -8.23 C:10 16.61 -12.52 C:5 16.61 -13.93 27 1 -2 2 19 1 24 3 -1 24 4 -2 25 5 -2 26 6 -1 7 18 2 8 10 1 9 12 1 9 13 1 21 10 -2 11 14 1 11 20 1 12 24 1 13 26 1 14 25 1 15 18 1 22 15 -1 16 18 1 23 16 -1 17 21 1 17 25 1 19 20 2 19 22 1 20 26 1 21 25 1 22 23 1 23 27 1 24 27 1 26 27 1', '27 30 H 16.61 -14.84 C 20.32 -11.81 C 14.42 -15.66 C 16.33 -15.66 C 17.81 -7.52 C 16.61 -11.09 O 20.08 -17.43 O 19.10 -5.44 C 14.16 -12.52 C 20.32 -6.12 C 17.81 -10.36 C 14.16 -13.93 C 15.38 -11.81 C 19.10 -9.67 O 20.08 -14.93 O 18.06 -15.97 O 20.32 -8.92 C 19.44 -16.18 C 19.10 -12.52 C 17.81 -11.81 C 20.32 -7.52 C 19.10 -13.93 C 17.81 -14.60 C 15.38 -14.60 C 19.10 -8.23 C 16.61 -12.52 C 16.61 -13.93 27 1 -2 2 19 1 24 3 -1 24 4 -2 25 5 -2 26 6 -1 7 18 2 8 10 1 9 12 1 9 13 1 21 10 -2 11 14 1 11 20 1 12 24 1 13 26 1 14 25 1 15 18 1 22 15 -1 16 18 1 23 16 -1 17 21 1 17 25 1 19 20 2 19 22 1 20 26 1 21 25 1 22 23 1 23 27 1 24 27 1 26 27 1', '27 30 H 16.61 -14.84 C:16 20.32 -11.81 C:24 14.42 -15.66 C:33 16.33 -15.66 C:17 17.81 -7.52 C:23 16.61 -11.09 O 20.08 -17.43 O 19.10 -5.44 C:19 14.16 -12.52 C:62 20.32 -6.12 C:23 17.81 -10.36 C:43 14.16 -13.93 C:39 15.38 -11.81 C:38 19.10 -9.67 O 20.08 -14.93 O 18.06 -15.97 O 20.32 -8.92 C:156 19.44 -16.18 C:122 19.10 -12.52 C:149 17.81 -11.81 C:63 20.32 -7.52 C:79 19.10 -13.93 C:75 17.81 -14.60 C:34 15.38 -14.60 C:61 19.10 -8.23 C:39 16.61 -12.52 C:52 16.61 -13.93 27 1 -2 2 19 1 24 3 -1 24 4 -2 25 5 -2 26 6 -1 7 18 2 8 10 1 9 12 1 9 13 1 21 10 -2 11 14 1 11 20 1 12 24 1 13 26 1 14 25 1 15 18 1 22 15 -1 16 18 1 23 16 -1 17 21 1 17 25 1 19 20 2 19 22 1 20 26 1 21 25 1 22 23 1 23 27 1 24 27 1 26 27 1', 'C21H32O5', 364.23, 'C', 'tt08_8815_26', 3689, '', '', '1', 47, NULL, NULL),
(14416, '', '13R,14R-epoxy-6β,7β-carbonyldioxy-labd-8-en-15-ilo', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]45[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:16])O[C@H:14]2[CH2:15]OS(=O)(=O)[c:15001]3[cH:15006][cH:15005][c:15004]([CH3:15401])[cH:15003][cH:15002]3)[C@@:10]4([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]5([CH3:18])[CH3:19]', '[H][C@@]45[C@@H]1OC(=O)O[C@@H]1C(C)=C(CC[C@]2(C)O[C@H]2COS(=O)(=O)c3ccc(C)cc3)[C@@]4(C)CCC[C@]5(C)C', '[H][C@@:52]45[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:16])=[C:149]([CH2:23][CH2:38][C@:61]2([CH3:17])O[C@H:59]2[CH2:69]OS(=O)(=O)[c:133]3[cH:128][cH:130][c:146]([CH3:22])[cH:130][cH:128]3)[C@@:39]4([CH3:23])[CH2:39][CH2:19][CH2:43][C@:34]5([CH3:33])[CH3:24]', '37 41 H 16.62 -18.32 C:17 20.33 -15.29 C:15401 19.12 -1.91 C:18 16.34 -19.15 C:19 14.43 -19.15 C:16 17.83 -11.00 C:20 16.62 -14.57 O 20.09 -20.92 O 17.91 -6.82 O 20.33 -6.82 C:15005 17.91 -4.01 C:15003 20.33 -4.01 C:15006 17.91 -5.40 C:15002 20.33 -5.40 C:2 14.17 -16.00 C:11 17.83 -13.84 C:15 20.33 -9.60 C:3 14.17 -17.41 C:1 15.39 -15.29 C:12 19.12 -13.15 O 19.12 -8.92 O 20.09 -18.41 O 18.08 -19.47 O 20.33 -12.41 C:7001 19.45 -19.68 C:8 19.12 -16.00 C:9 17.83 -15.29 C:15004 19.12 -3.31 C:15001 19.12 -6.11 C:14 20.33 -11.00 C:7 19.12 -17.41 C:6 17.83 -18.08 C:4 15.39 -18.08 C:13 19.12 -11.72 C:10 16.62 -16.00 C:5 16.62 -17.41 S 19.12 -7.52 36 1 -2 2 26 1 3 28 1 33 4 -2 33 5 -1 34 6 -2 35 7 -1 8 25 2 9 37 2 10 37 2 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 18 1 15 19 1 16 20 1 16 27 1 17 21 1 30 17 -2 18 33 1 19 35 1 20 34 1 21 37 1 22 25 1 31 22 -1 23 25 1 32 23 -1 24 30 1 24 34 1 26 27 2 26 31 1 27 35 1 29 37 1 30 34 1 31 32 1 32 36 1 33 36 1 35 36 1', '37 41 H 16.62 -18.32 C 20.33 -15.29 C 19.12 -1.91 C 16.34 -19.15 C 14.43 -19.15 C 17.83 -11.00 C 16.62 -14.57 O 20.09 -20.92 O 17.91 -6.82 O 20.33 -6.82 C 17.91 -4.01 C 20.33 -4.01 C 17.91 -5.40 C 20.33 -5.40 C 14.17 -16.00 C 17.83 -13.84 C 20.33 -9.60 C 14.17 -17.41 C 15.39 -15.29 C 19.12 -13.15 O 19.12 -8.92 O 20.09 -18.41 O 18.08 -19.47 O 20.33 -12.41 C 19.45 -19.68 C 19.12 -16.00 C 17.83 -15.29 C 19.12 -3.31 C 19.12 -6.11 C 20.33 -11.00 C 19.12 -17.41 C 17.83 -18.08 C 15.39 -18.08 C 19.12 -11.72 C 16.62 -16.00 C 16.62 -17.41 S 19.12 -7.52 36 1 -2 2 26 1 3 28 1 33 4 -2 33 5 -1 34 6 -2 35 7 -1 8 25 2 9 37 2 10 37 2 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 18 1 15 19 1 16 20 1 16 27 1 17 21 1 30 17 -2 18 33 1 19 35 1 20 34 1 21 37 1 22 25 1 31 22 -1 23 25 1 32 23 -1 24 30 1 24 34 1 26 27 2 26 31 1 27 35 1 29 37 1 30 34 1 31 32 1 32 36 1 33 36 1 35 36 1', '37 41 H 16.62 -18.32 C:16 20.33 -15.29 C:22 19.12 -1.91 C:33 16.34 -19.15 C:24 14.43 -19.15 C:17 17.83 -11.00 C:23 16.62 -14.57 O 20.09 -20.92 O 17.91 -6.82 O 20.33 -6.82 C:130 17.91 -4.01 C:130 20.33 -4.01 C:128 17.91 -5.40 C:128 20.33 -5.40 C:19 14.17 -16.00 C:23 17.83 -13.84 C:69 20.33 -9.60 C:43 14.17 -17.41 C:39 15.39 -15.29 C:38 19.12 -13.15 O 19.12 -8.92 O 20.09 -18.41 O 18.08 -19.47 O 20.33 -12.41 C:155 19.45 -19.68 C:122 19.12 -16.00 C:149 17.83 -15.29 C:146 19.12 -3.31 C:133 19.12 -6.11 C:59 20.33 -11.00 C:79 19.12 -17.41 C:75 17.83 -18.08 C:34 15.39 -18.08 C:61 19.12 -11.72 C:39 16.62 -16.00 C:52 16.62 -17.41 S 19.12 -7.52 36 1 -2 2 26 1 3 28 1 33 4 -2 33 5 -1 34 6 -2 35 7 -1 8 25 2 9 37 2 10 37 2 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 18 1 15 19 1 16 20 1 16 27 1 17 21 1 30 17 -2 18 33 1 19 35 1 20 34 1 21 37 1 22 25 1 31 22 -1 23 25 1 32 23 -1 24 30 1 24 34 1 26 27 2 26 31 1 27 35 1 29 37 1 30 34 1 31 32 1 32 36 1 33 36 1 35 36 1', 'C28H38O7S', 518.369, 'C', 'tt08_8815_27', 3689, '', '', '1', 47, NULL, NULL),
(14417, '', '15-Iodo-13R,14S-epoxy-6β,7β-carbonyldioxyl-labd-8-en', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C@:13]2([CH3:16])O[C@H:14]2[CH2:15]OI)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34[C@@H]1OC(=O)O[C@@H]1C(C)=C(CC[C@]2(C)O[C@H]2COI)[C@@]3(C)CCC[C@]4(C)C', '[H][C@@:52]34[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:16])=[C:149]([CH2:24][CH2:38][C@:64]2([CH3:16])O[C@H:63]2[CH2:2]OI)[C@@:39]3([CH3:23])[CH2:39][CH2:19][CH2:43][C@:34]4([CH3:33])[CH3:24]', '28 31 H 16.61 -14.83 C:17 20.31 -11.79 C:18 16.33 -15.65 C:19 14.41 -15.65 C:16 17.81 -7.52 C:20 16.61 -11.07 O 20.08 -17.43 I 17.90 -6.16 C:2 14.15 -12.50 C:11 17.81 -10.35 C:15 20.31 -6.16 C:3 14.15 -13.91 C:1 15.37 -11.79 C:12 19.10 -9.67 O 19.10 -5.44 O 20.08 -14.92 O 18.06 -15.97 O 20.31 -8.91 C:7001 19.44 -16.18 C:8 19.10 -12.50 C:9 17.81 -11.79 C:14 20.31 -7.52 C:7 19.10 -13.91 C:6 17.81 -14.59 C:4 15.37 -14.59 C:13 19.10 -8.22 C:10 16.61 -12.50 C:5 16.61 -13.91 28 1 -2 2 20 1 25 3 -2 25 4 -1 26 5 -2 27 6 -1 7 19 2 8 15 1 9 12 1 9 13 1 10 14 1 10 21 1 11 15 1 22 11 -2 12 25 1 13 27 1 14 26 1 16 19 1 23 16 -1 17 19 1 24 17 -1 18 22 1 18 26 1 20 21 2 20 23 1 21 27 1 22 26 1 23 24 1 24 28 1 25 28 1 27 28 1', '28 31 H 16.61 -14.83 C 20.31 -11.79 C 16.33 -15.65 C 14.41 -15.65 C 17.81 -7.52 C 16.61 -11.07 O 20.08 -17.43 I 17.90 -6.16 C 14.15 -12.50 C 17.81 -10.35 C 20.31 -6.16 C 14.15 -13.91 C 15.37 -11.79 C 19.10 -9.67 O 19.10 -5.44 O 20.08 -14.92 O 18.06 -15.97 O 20.31 -8.91 C 19.44 -16.18 C 19.10 -12.50 C 17.81 -11.79 C 20.31 -7.52 C 19.10 -13.91 C 17.81 -14.59 C 15.37 -14.59 C 19.10 -8.22 C 16.61 -12.50 C 16.61 -13.91 28 1 -2 2 20 1 25 3 -2 25 4 -1 26 5 -2 27 6 -1 7 19 2 8 15 1 9 12 1 9 13 1 10 14 1 10 21 1 11 15 1 22 11 -2 12 25 1 13 27 1 14 26 1 16 19 1 23 16 -1 17 19 1 24 17 -1 18 22 1 18 26 1 20 21 2 20 23 1 21 27 1 22 26 1 23 24 1 24 28 1 25 28 1 27 28 1', '28 31 H 16.61 -14.83 C:16 20.31 -11.79 C:33 16.33 -15.65 C:24 14.41 -15.65 C:16 17.81 -7.52 C:23 16.61 -11.07 O 20.08 -17.43 I 17.90 -6.16 C:19 14.15 -12.50 C:24 17.81 -10.35 C:2 20.31 -6.16 C:43 14.15 -13.91 C:39 15.37 -11.79 C:38 19.10 -9.67 O 19.10 -5.44 O 20.08 -14.92 O 18.06 -15.97 O 20.31 -8.91 C:155 19.44 -16.18 C:122 19.10 -12.50 C:149 17.81 -11.79 C:63 20.31 -7.52 C:79 19.10 -13.91 C:75 17.81 -14.59 C:34 15.37 -14.59 C:64 19.10 -8.22 C:39 16.61 -12.50 C:52 16.61 -13.91 28 1 -2 2 20 1 25 3 -2 25 4 -1 26 5 -2 27 6 -1 7 19 2 8 15 1 9 12 1 9 13 1 10 14 1 10 21 1 11 15 1 22 11 -2 12 25 1 13 27 1 14 26 1 16 19 1 23 16 -1 17 19 1 24 17 -1 18 22 1 18 26 1 20 21 2 20 23 1 21 27 1 22 26 1 23 24 1 24 28 1 25 28 1 27 28 1', 'C21H31IO5', 490.134, 'C', 'tt08_8815_28', 3689, '', '', '1', 47, NULL, NULL),
(14418, '', '6β,7β-Carbonyldioxy-labda-8,14-dien-13R-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CC[C@@](C)(O)C=C)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:156](=O)O[C@@H:79]1[C:121]([CH3:16])=[C:150]([CH2:23][CH2:42][C@@:74]([CH3:28])(O)[CH:145]=[CH2:113])[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@:33]3([CH3:34])[CH3:24]', '26 28 H 16.66 -14.42 C:15 20.36 -5.76 C:17 20.36 -11.39 C:16 17.86 -7.12 C:18 16.38 -15.24 C:19 14.45 -15.24 C:20 16.66 -10.67 O 20.13 -17.03 O 19.15 -6.42 C:14 20.36 -7.12 C:2 14.19 -12.10 C:11 17.86 -9.95 C:3 14.19 -13.50 C:1 15.41 -11.39 C:12 19.15 -9.27 O 20.13 -14.51 O 18.11 -15.57 C:7001 19.49 -15.78 C:8 19.15 -12.10 C:9 17.86 -11.39 C:7 19.15 -13.50 C:6 17.86 -14.18 C:13 19.15 -7.82 C:4 15.41 -14.18 C:5 16.66 -13.50 C:10 16.66 -12.10 25 1 -2 2 10 2 3 19 1 23 4 -2 24 5 -2 24 6 -1 26 7 -1 8 18 2 23 9 -1 10 23 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 26 1 15 23 1 16 18 1 21 16 -1 17 18 1 22 17 -1 19 20 2 19 21 1 20 26 1 21 22 1 22 25 1 24 25 1 25 26 1', '26 28 H 16.66 -14.42 C 20.36 -5.76 C 20.36 -11.39 C 17.86 -7.12 C 16.38 -15.24 C 14.45 -15.24 C 16.66 -10.67 O 20.13 -17.03 O 19.15 -6.42 C 20.36 -7.12 C 14.19 -12.10 C 17.86 -9.95 C 14.19 -13.50 C 15.41 -11.39 C 19.15 -9.27 O 20.13 -14.51 O 18.11 -15.57 C 19.49 -15.78 C 19.15 -12.10 C 17.86 -11.39 C 19.15 -13.50 C 17.86 -14.18 C 19.15 -7.82 C 15.41 -14.18 C 16.66 -13.50 C 16.66 -12.10 25 1 -2 2 10 2 3 19 1 23 4 -2 24 5 -2 24 6 -1 26 7 -1 8 18 2 23 9 -1 10 23 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 26 1 15 23 1 16 18 1 21 16 -1 17 18 1 22 17 -1 19 20 2 19 21 1 20 26 1 21 22 1 22 25 1 24 25 1 25 26 1', '26 28 H 16.66 -14.42 C:113 20.36 -5.76 C:16 20.36 -11.39 C:28 17.86 -7.12 C:34 16.38 -15.24 C:24 14.45 -15.24 C:23 16.66 -10.67 O 20.13 -17.03 O 19.15 -6.42 C:145 20.36 -7.12 C:19 14.19 -12.10 C:23 17.86 -9.95 C:43 14.19 -13.50 C:39 15.41 -11.39 C:42 19.15 -9.27 O 20.13 -14.51 O 18.11 -15.57 C:156 19.49 -15.78 C:121 19.15 -12.10 C:150 17.86 -11.39 C:79 19.15 -13.50 C:75 17.86 -14.18 C:74 19.15 -7.82 C:33 15.41 -14.18 C:52 16.66 -13.50 C:39 16.66 -12.10 25 1 -2 2 10 2 3 19 1 23 4 -2 24 5 -2 24 6 -1 26 7 -1 8 18 2 23 9 -1 10 23 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 26 1 15 23 1 16 18 1 21 16 -1 17 18 1 22 17 -1 19 20 2 19 21 1 20 26 1 21 22 1 22 25 1 24 25 1 25 26 1', 'C21H32O4', 348.23, 'C', 'tt08_8815_29', 3689, '', '', '1', 47, NULL, NULL),
(14419, '', 'Labda-8,14-dien-6β,7β,13R-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:53]12[C@H:68](O)[C@H:74](O)[C:125]([CH3:15])=[C:144]([CH2:22][CH2:42][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@:34]2([CH3:34])[CH3:24]', '24 25 H 16.61 -15.15 C:15 20.33 -6.49 C:17 20.32 -12.12 C:16 17.82 -7.85 C:18 16.33 -15.97 C:19 14.40 -15.97 C:20 16.61 -11.40 O 20.33 -14.92 O 17.82 -16.31 O 19.11 -7.15 C:14 20.33 -7.85 C:2 14.14 -12.83 C:11 17.82 -10.68 C:3 14.14 -14.23 C:12 19.11 -10.00 C:1 15.36 -12.12 C:8 19.11 -12.83 C:9 17.82 -12.12 C:7 19.11 -14.23 C:6 17.82 -14.91 C:13 19.11 -8.55 C:4 15.36 -14.91 C:5 16.61 -14.23 C:10 16.61 -12.83 23 1 -2 2 11 2 3 17 1 21 4 -2 22 5 -2 22 6 -1 24 7 -1 19 8 -1 20 9 -1 21 10 -1 11 21 1 12 14 1 12 16 1 13 15 1 13 18 1 14 22 1 15 21 1 16 24 1 17 18 2 17 19 1 18 24 1 19 20 1 20 23 1 22 23 1 23 24 1', '24 25 H 16.61 -15.15 C 20.33 -6.49 C 20.32 -12.12 C 17.82 -7.85 C 16.33 -15.97 C 14.40 -15.97 C 16.61 -11.40 O 20.33 -14.92 O 17.82 -16.31 O 19.11 -7.15 C 20.33 -7.85 C 14.14 -12.83 C 17.82 -10.68 C 14.14 -14.23 C 19.11 -10.00 C 15.36 -12.12 C 19.11 -12.83 C 17.82 -12.12 C 19.11 -14.23 C 17.82 -14.91 C 19.11 -8.55 C 15.36 -14.91 C 16.61 -14.23 C 16.61 -12.83 23 1 -2 2 11 2 3 17 1 21 4 -2 22 5 -2 22 6 -1 24 7 -1 19 8 -1 20 9 -1 21 10 -1 11 21 1 12 14 1 12 16 1 13 15 1 13 18 1 14 22 1 15 21 1 16 24 1 17 18 2 17 19 1 18 24 1 19 20 1 20 23 1 22 23 1 23 24 1', '24 25 H 16.61 -15.15 C:112 20.33 -6.49 C:15 20.32 -12.12 C:28 17.82 -7.85 C:34 16.33 -15.97 C:24 14.40 -15.97 C:22 16.61 -11.40 O 20.33 -14.92 O 17.82 -16.31 O 19.11 -7.15 C:145 20.33 -7.85 C:19 14.14 -12.83 C:22 17.82 -10.68 C:43 14.14 -14.23 C:42 19.11 -10.00 C:40 15.36 -12.12 C:125 19.11 -12.83 C:144 17.82 -12.12 C:74 19.11 -14.23 C:68 17.82 -14.91 C:74 19.11 -8.55 C:34 15.36 -14.91 C:53 16.61 -14.23 C:40 16.61 -12.83 23 1 -2 2 11 2 3 17 1 21 4 -2 22 5 -2 22 6 -1 24 7 -1 19 8 -1 20 9 -1 21 10 -1 11 21 1 12 14 1 12 16 1 13 15 1 13 18 1 14 22 1 15 21 1 16 24 1 17 18 2 17 19 1 18 24 1 19 20 1 20 23 1 22 23 1 23 24 1', 'C20H34O3', 322.22, 'C', 'tt08_8815_30', 3689, '', '', '1', 47, NULL, NULL),
(14420, '', '6β,7β-Diacetoxy-labda-8,14-dien-13R-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C(CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:52]12[C@H:67](O[C:171]([CH3:22])=O)[C@H:73](O[C:171]([CH3:22])=O)[C:122]([CH3:15])=[C:145]([CH2:22][CH2:42][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:21])[CH2:41][CH2:19][CH2:43][C@:34]2([CH3:34])[CH3:23]', '30 31 H 15.42 -14.13 C:15 19.14 -5.48 C:7002 21.57 -13.88 C:6002 17.84 -17.39 C:17 19.13 -11.10 C:16 16.63 -6.84 C:18 15.14 -14.95 C:19 13.21 -14.95 C:20 15.42 -10.38 O 20.35 -11.79 O 19.05 -15.29 O 17.92 -6.14 C:14 19.14 -6.84 C:2 12.95 -11.81 C:11 16.63 -9.67 C:3 12.95 -13.21 C:1 14.17 -11.10 C:12 17.92 -8.99 O 19.14 -13.90 O 16.63 -15.29 C:7001 20.35 -13.19 C:6001 17.84 -15.99 C:8 17.92 -11.81 C:9 16.63 -11.10 C:7 17.92 -13.21 C:6 16.63 -13.89 C:13 17.92 -7.55 C:4 14.17 -13.89 C:5 15.42 -13.21 C:10 15.42 -11.81 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 27 6 -2 28 7 -2 28 8 -1 30 9 -1 10 21 2 11 22 2 27 12 -1 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -1 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', '30 31 H 15.42 -14.13 C 19.14 -5.48 C 21.57 -13.88 C 17.84 -17.39 C 19.13 -11.10 C 16.63 -6.84 C 15.14 -14.95 C 13.21 -14.95 C 15.42 -10.38 O 20.35 -11.79 O 19.05 -15.29 O 17.92 -6.14 C 19.14 -6.84 C 12.95 -11.81 C 16.63 -9.67 C 12.95 -13.21 C 14.17 -11.10 C 17.92 -8.99 O 19.14 -13.90 O 16.63 -15.29 C 20.35 -13.19 C 17.84 -15.99 C 17.92 -11.81 C 16.63 -11.10 C 17.92 -13.21 C 16.63 -13.89 C 17.92 -7.55 C 14.17 -13.89 C 15.42 -13.21 C 15.42 -11.81 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 27 6 -2 28 7 -2 28 8 -1 30 9 -1 10 21 2 11 22 2 27 12 -1 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -1 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', '30 31 H 15.42 -14.13 C:112 19.14 -5.48 C:22 21.57 -13.88 C:22 17.84 -17.39 C:15 19.13 -11.10 C:28 16.63 -6.84 C:34 15.14 -14.95 C:23 13.21 -14.95 C:21 15.42 -10.38 O 20.35 -11.79 O 19.05 -15.29 O 17.92 -6.14 C:145 19.14 -6.84 C:19 12.95 -11.81 C:22 16.63 -9.67 C:43 12.95 -13.21 C:41 14.17 -11.10 C:42 17.92 -8.99 O 19.14 -13.90 O 16.63 -15.29 C:171 20.35 -13.19 C:171 17.84 -15.99 C:122 17.92 -11.81 C:145 16.63 -11.10 C:73 17.92 -13.21 C:67 16.63 -13.89 C:74 17.92 -7.55 C:34 14.17 -13.89 C:52 15.42 -13.21 C:40 15.42 -11.81 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 27 6 -2 28 7 -2 28 8 -1 30 9 -1 10 21 2 11 22 2 27 12 -1 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -1 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', 'C24H38O5', 406.262, 'C', 'tt08_8815_31', 3689, '', '', '1', 47, NULL, NULL),
(14421, '', '6β-Acetoxy-labda-8,14-dien-7β,13R-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](OC(C)=O)[C@H](O)C(C)=C(CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:53]12[C@H:66](O[C:171]([CH3:22])=O)[C@H:77](O)[C:121]([CH3:15])=[C:146]([CH2:22][CH2:42][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@:34]2([CH3:34])[CH3:24]', '27 28 H 16.65 -14.12 C:15 20.36 -5.49 C:6002 19.06 -17.38 C:17 20.35 -11.09 C:16 17.85 -6.85 C:18 16.37 -14.94 C:19 14.43 -14.94 C:20 16.65 -10.37 O 20.27 -15.28 O 20.36 -13.89 O 19.14 -6.15 C:14 20.36 -6.85 C:2 14.17 -11.80 C:11 17.85 -9.66 C:3 14.17 -13.20 C:1 15.40 -11.09 C:12 19.14 -8.99 O 17.85 -15.28 C:6001 19.06 -15.98 C:8 19.14 -11.80 C:9 17.85 -11.09 C:7 19.14 -13.20 C:6 17.85 -13.88 C:13 19.14 -7.56 C:4 15.40 -13.88 C:5 16.65 -13.20 C:10 16.65 -11.80 26 1 -2 2 12 2 3 19 1 4 20 1 24 5 -2 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -1 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', '27 28 H 16.65 -14.12 C 20.36 -5.49 C 19.06 -17.38 C 20.35 -11.09 C 17.85 -6.85 C 16.37 -14.94 C 14.43 -14.94 C 16.65 -10.37 O 20.27 -15.28 O 20.36 -13.89 O 19.14 -6.15 C 20.36 -6.85 C 14.17 -11.80 C 17.85 -9.66 C 14.17 -13.20 C 15.40 -11.09 C 19.14 -8.99 O 17.85 -15.28 C 19.06 -15.98 C 19.14 -11.80 C 17.85 -11.09 C 19.14 -13.20 C 17.85 -13.88 C 19.14 -7.56 C 15.40 -13.88 C 16.65 -13.20 C 16.65 -11.80 26 1 -2 2 12 2 3 19 1 4 20 1 24 5 -2 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -1 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', '27 28 H 16.65 -14.12 C:112 20.36 -5.49 C:22 19.06 -17.38 C:15 20.35 -11.09 C:28 17.85 -6.85 C:34 16.37 -14.94 C:24 14.43 -14.94 C:22 16.65 -10.37 O 20.27 -15.28 O 20.36 -13.89 O 19.14 -6.15 C:145 20.36 -6.85 C:19 14.17 -11.80 C:22 17.85 -9.66 C:43 14.17 -13.20 C:40 15.40 -11.09 C:42 19.14 -8.99 O 17.85 -15.28 C:171 19.06 -15.98 C:121 19.14 -11.80 C:146 17.85 -11.09 C:77 19.14 -13.20 C:66 17.85 -13.88 C:74 19.14 -7.56 C:34 15.40 -13.88 C:53 16.65 -13.20 C:40 16.65 -11.80 26 1 -2 2 12 2 3 19 1 4 20 1 24 5 -2 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -1 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', 'C22H36O4', 364.241, 'C', 'tt08_8815_2', 3689, '', '', '1', 47, NULL, NULL),
(14422, '', '7β-Acetoxy-labda-8,14-dien-6β,13R-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](O)[C@H](OC(C)=O)C(C)=C(CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:52]12[C@H:70](O)[C@H:73](O[C:172]([CH3:22])=O)[C:125]([CH3:15])=[C:145]([CH2:22][CH2:42][C@@:74]([CH3:28])(O)[CH:144]=[CH2:112])[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@:34]2([CH3:34])[CH3:23]', '27 28 H 15.43 -15.14 C:15 19.14 -6.50 C:7002 21.56 -14.99 C:17 19.13 -12.11 C:16 16.63 -7.86 C:18 15.15 -15.96 C:19 13.21 -15.96 C:20 15.43 -11.38 O 20.37 -12.85 O 16.63 -16.30 O 17.92 -7.16 C:14 19.14 -7.86 C:2 12.95 -12.82 C:11 16.63 -10.67 C:3 12.95 -14.22 C:1 14.18 -12.11 C:12 17.92 -10.00 O 19.14 -14.91 C:7001 20.37 -14.25 C:8 17.92 -12.82 C:9 16.63 -12.11 C:6 16.63 -14.90 C:7 17.92 -14.22 C:13 17.92 -8.57 C:4 14.18 -14.90 C:5 15.43 -14.22 C:10 15.43 -12.82 26 1 -2 2 12 2 3 19 1 4 20 1 24 5 -2 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -1 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 23 1 21 27 1 22 23 1 22 26 1 25 26 1 26 27 1', '27 28 H 15.43 -15.14 C 19.14 -6.50 C 21.56 -14.99 C 19.13 -12.11 C 16.63 -7.86 C 15.15 -15.96 C 13.21 -15.96 C 15.43 -11.38 O 20.37 -12.85 O 16.63 -16.30 O 17.92 -7.16 C 19.14 -7.86 C 12.95 -12.82 C 16.63 -10.67 C 12.95 -14.22 C 14.18 -12.11 C 17.92 -10.00 O 19.14 -14.91 C 20.37 -14.25 C 17.92 -12.82 C 16.63 -12.11 C 16.63 -14.90 C 17.92 -14.22 C 17.92 -8.57 C 14.18 -14.90 C 15.43 -14.22 C 15.43 -12.82 26 1 -2 2 12 2 3 19 1 4 20 1 24 5 -2 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -1 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 23 1 21 27 1 22 23 1 22 26 1 25 26 1 26 27 1', '27 28 H 15.43 -15.14 C:112 19.14 -6.50 C:22 21.56 -14.99 C:15 19.13 -12.11 C:28 16.63 -7.86 C:34 15.15 -15.96 C:23 13.21 -15.96 C:22 15.43 -11.38 O 20.37 -12.85 O 16.63 -16.30 O 17.92 -7.16 C:144 19.14 -7.86 C:19 12.95 -12.82 C:22 16.63 -10.67 C:43 12.95 -14.22 C:40 14.18 -12.11 C:42 17.92 -10.00 O 19.14 -14.91 C:172 20.37 -14.25 C:125 17.92 -12.82 C:145 16.63 -12.11 C:70 16.63 -14.90 C:73 17.92 -14.22 C:74 17.92 -8.57 C:34 14.18 -14.90 C:52 15.43 -14.22 C:40 15.43 -12.82 26 1 -2 2 12 2 3 19 1 4 20 1 24 5 -2 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -1 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 23 1 21 27 1 22 23 1 22 26 1 25 26 1 26 27 1', 'C22H36O4', 364.241, 'C', 'tt08_8815_32', 3689, '', '', '1', 47, NULL, NULL),
(14423, '', '7α-Acetoxy-6β-hidroxy-14,15-dinor-labd-8-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@@H](OC(C)=O)C(C)=C(CCC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:50]12[C@H:69](O)[C@@H:78](O[C:171]([CH3:21])=O)[C:122]([CH3:18])=[C:148]([CH2:20][CH2:44][C:209]([CH3:30])=O)[C@@:40]1([CH3:22])[CH2:39][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:34]', '25 26 H 15.40 -14.50 C:16 19.12 -7.24 C:7002 21.51 -14.35 C:17 19.12 -11.47 C:19 13.19 -15.32 C:18 15.12 -15.32 C:20 15.40 -10.74 O 16.60 -7.24 O 20.34 -12.18 O 16.60 -15.66 C:2 12.93 -12.18 C:12 17.90 -9.37 C:11 16.60 -10.03 C:3 12.93 -13.59 C:1 14.15 -11.47 O 19.12 -14.26 C:13 17.90 -7.94 C:7001 20.34 -13.59 C:8 17.90 -12.18 C:9 16.60 -11.47 C:6 16.60 -14.26 C:7 17.90 -13.59 C:4 14.15 -14.26 C:10 15.40 -12.18 C:5 15.40 -13.59 25 1 -2 2 17 1 3 18 1 4 19 1 23 5 -1 23 6 -2 24 7 -1 8 17 2 9 18 2 21 10 -1 11 14 1 11 15 1 12 13 1 12 17 1 13 20 1 14 23 1 15 24 1 16 18 1 22 16 -2 19 20 2 19 22 1 20 24 1 21 22 1 21 25 1 23 25 1 24 25 1', '25 26 H 15.40 -14.50 C 19.12 -7.24 C 21.51 -14.35 C 19.12 -11.47 C 13.19 -15.32 C 15.12 -15.32 C 15.40 -10.74 O 16.60 -7.24 O 20.34 -12.18 O 16.60 -15.66 C 12.93 -12.18 C 17.90 -9.37 C 16.60 -10.03 C 12.93 -13.59 C 14.15 -11.47 O 19.12 -14.26 C 17.90 -7.94 C 20.34 -13.59 C 17.90 -12.18 C 16.60 -11.47 C 16.60 -14.26 C 17.90 -13.59 C 14.15 -14.26 C 15.40 -12.18 C 15.40 -13.59 25 1 -2 2 17 1 3 18 1 4 19 1 23 5 -1 23 6 -2 24 7 -1 8 17 2 9 18 2 21 10 -1 11 14 1 11 15 1 12 13 1 12 17 1 13 20 1 14 23 1 15 24 1 16 18 1 22 16 -2 19 20 2 19 22 1 20 24 1 21 22 1 21 25 1 23 25 1 24 25 1', '25 26 H 15.40 -14.50 C:30 19.12 -7.24 C:21 21.51 -14.35 C:18 19.12 -11.47 C:24 13.19 -15.32 C:34 15.12 -15.32 C:22 15.40 -10.74 O 16.60 -7.24 O 20.34 -12.18 O 16.60 -15.66 C:19 12.93 -12.18 C:44 17.90 -9.37 C:20 16.60 -10.03 C:43 12.93 -13.59 C:39 14.15 -11.47 O 19.12 -14.26 C:209 17.90 -7.94 C:171 20.34 -13.59 C:122 17.90 -12.18 C:148 16.60 -11.47 C:69 16.60 -14.26 C:78 17.90 -13.59 C:34 14.15 -14.26 C:40 15.40 -12.18 C:50 15.40 -13.59 25 1 -2 2 17 1 3 18 1 4 19 1 23 5 -1 23 6 -2 24 7 -1 8 17 2 9 18 2 21 10 -1 11 14 1 11 15 1 12 13 1 12 17 1 13 20 1 14 23 1 15 24 1 16 18 1 22 16 -2 19 20 2 19 22 1 20 24 1 21 22 1 21 25 1 23 25 1 24 25 1', 'C20H32O4', 336.22, 'C', 'tt08_8815_33', 3689, '', '', '1', 47, NULL, NULL),
(14424, '', '6b,7a-Diacetoxy-labda-8,14-dien-13S-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C(CC[C@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:49]12[C@H:70](O[C:170]([CH3:21])=O)[C@@H:73](O[C:169]([CH3:21])=O)[C:121]([CH3:17])=[C:148]([CH2:22][CH2:42][C@:73]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@:33]2([CH3:33])[CH3:23]', '30 31 H 15.40 -14.10 C:15 19.12 -5.44 C:7002 21.51 -13.95 C:6002 17.83 -17.36 C:17 19.12 -11.08 C:16 16.60 -6.84 C:18 15.12 -14.92 C:19 13.19 -14.92 C:20 15.40 -10.35 O 20.33 -11.79 O 19.03 -15.26 O 17.90 -6.14 C:14 19.12 -6.84 C:2 12.93 -11.79 C:11 16.60 -9.64 C:3 12.93 -13.19 C:1 14.15 -11.08 C:12 17.90 -8.97 O 19.12 -13.86 O 16.60 -15.26 C:7001 20.33 -13.19 C:6001 17.83 -15.96 C:8 17.90 -11.79 C:9 16.60 -11.08 C:7 17.90 -13.19 C:6 16.60 -13.86 C:13 17.90 -7.54 C:4 14.15 -13.86 C:5 15.40 -13.19 C:10 15.40 -11.79 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 6 27 1 28 7 -2 28 8 -1 30 9 -1 10 21 2 11 22 2 27 12 -2 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -2 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', '30 31 H 15.40 -14.10 C 19.12 -5.44 C 21.51 -13.95 C 17.83 -17.36 C 19.12 -11.08 C 16.60 -6.84 C 15.12 -14.92 C 13.19 -14.92 C 15.40 -10.35 O 20.33 -11.79 O 19.03 -15.26 O 17.90 -6.14 C 19.12 -6.84 C 12.93 -11.79 C 16.60 -9.64 C 12.93 -13.19 C 14.15 -11.08 C 17.90 -8.97 O 19.12 -13.86 O 16.60 -15.26 C 20.33 -13.19 C 17.83 -15.96 C 17.90 -11.79 C 16.60 -11.08 C 17.90 -13.19 C 16.60 -13.86 C 17.90 -7.54 C 14.15 -13.86 C 15.40 -13.19 C 15.40 -11.79 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 6 27 1 28 7 -2 28 8 -1 30 9 -1 10 21 2 11 22 2 27 12 -2 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -2 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', '30 31 H 15.40 -14.10 C:112 19.12 -5.44 C:21 21.51 -13.95 C:21 17.83 -17.36 C:17 19.12 -11.08 C:28 16.60 -6.84 C:33 15.12 -14.92 C:23 13.19 -14.92 C:21 15.40 -10.35 O 20.33 -11.79 O 19.03 -15.26 O 17.90 -6.14 C:145 19.12 -6.84 C:19 12.93 -11.79 C:22 16.60 -9.64 C:43 12.93 -13.19 C:39 14.15 -11.08 C:42 17.90 -8.97 O 19.12 -13.86 O 16.60 -15.26 C:169 20.33 -13.19 C:170 17.83 -15.96 C:121 17.90 -11.79 C:148 16.60 -11.08 C:73 17.90 -13.19 C:70 16.60 -13.86 C:73 17.90 -7.54 C:33 14.15 -13.86 C:49 15.40 -13.19 C:40 15.40 -11.79 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 6 27 1 28 7 -2 28 8 -1 30 9 -1 10 21 2 11 22 2 27 12 -2 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -2 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', 'C24H38O5', 406.262, 'C', 'tt08_8815_34', 3689, '', '', '1', 47, NULL, NULL),
(14425, '', '6b,7a-Diacetoxy-labda-8,14-dien-13R-ol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][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])[CH3:18]', '[H][C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C(CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:49]12[C@H:70](O[C:170]([CH3:22])=O)[C@@H:73](O[C:170]([CH3:21])=O)[C:121]([CH3:17])=[C:148]([CH2:23][CH2:41][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@@:33]2([CH3:23])[CH3:33]', '30 31 H 15.40 -14.10 C:15 19.12 -5.44 C:7002 21.51 -13.95 C:6002 17.83 -17.36 C:17 19.12 -11.08 C:16 16.60 -6.84 C:19 13.19 -14.92 C:18 15.12 -14.92 C:20 15.40 -10.35 O 20.33 -11.79 O 19.03 -15.26 O 17.90 -6.14 C:14 19.12 -6.84 C:2 12.93 -11.79 C:11 16.60 -9.64 C:3 12.93 -13.19 C:1 14.15 -11.08 C:12 17.90 -8.97 O 19.12 -13.86 O 16.60 -15.26 C:7001 20.33 -13.19 C:6001 17.83 -15.96 C:8 17.90 -11.79 C:9 16.60 -11.08 C:7 17.90 -13.19 C:6 16.60 -13.86 C:13 17.90 -7.54 C:4 14.15 -13.86 C:5 15.40 -13.19 C:10 15.40 -11.79 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 6 27 1 28 7 -1 28 8 -2 30 9 -1 10 21 2 11 22 2 27 12 -1 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -2 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', '30 31 H 15.40 -14.10 C 19.12 -5.44 C 21.51 -13.95 C 17.83 -17.36 C 19.12 -11.08 C 16.60 -6.84 C 13.19 -14.92 C 15.12 -14.92 C 15.40 -10.35 O 20.33 -11.79 O 19.03 -15.26 O 17.90 -6.14 C 19.12 -6.84 C 12.93 -11.79 C 16.60 -9.64 C 12.93 -13.19 C 14.15 -11.08 C 17.90 -8.97 O 19.12 -13.86 O 16.60 -15.26 C 20.33 -13.19 C 17.83 -15.96 C 17.90 -11.79 C 16.60 -11.08 C 17.90 -13.19 C 16.60 -13.86 C 17.90 -7.54 C 14.15 -13.86 C 15.40 -13.19 C 15.40 -11.79 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 6 27 1 28 7 -1 28 8 -2 30 9 -1 10 21 2 11 22 2 27 12 -1 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -2 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', '30 31 H 15.40 -14.10 C:112 19.12 -5.44 C:21 21.51 -13.95 C:22 17.83 -17.36 C:17 19.12 -11.08 C:28 16.60 -6.84 C:23 13.19 -14.92 C:33 15.12 -14.92 C:21 15.40 -10.35 O 20.33 -11.79 O 19.03 -15.26 O 17.90 -6.14 C:145 19.12 -6.84 C:19 12.93 -11.79 C:23 16.60 -9.64 C:43 12.93 -13.19 C:39 14.15 -11.08 C:41 17.90 -8.97 O 19.12 -13.86 O 16.60 -15.26 C:170 20.33 -13.19 C:170 17.83 -15.96 C:121 17.90 -11.79 C:148 16.60 -11.08 C:73 17.90 -13.19 C:70 16.60 -13.86 C:74 17.90 -7.54 C:33 14.15 -13.86 C:49 15.40 -13.19 C:40 15.40 -11.79 29 1 -2 2 13 2 3 21 1 4 22 1 5 23 1 6 27 1 28 7 -1 28 8 -2 30 9 -1 10 21 2 11 22 2 27 12 -1 13 27 1 14 16 1 14 17 1 15 18 1 15 24 1 16 28 1 17 30 1 18 27 1 19 21 1 25 19 -2 20 22 1 26 20 -1 23 24 2 23 25 1 24 30 1 25 26 1 26 29 1 28 29 1 29 30 1', 'C24H38O5', 406.262, 'C', 'tt08_8815_35', 3689, '', '', '1', 47, NULL, NULL),
(14426, '', '6b-Acetoxy-labda-8,14-diene-7a,13S-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](OC(C)=O)[C@@H](O)C(C)=C(CC[C@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:48]12[C@H:73](O[C:171]([CH3:21])=O)[C@@H:73](O)[C:124]([CH3:18])=[C:145]([CH2:22][CH2:42][C@:73]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@:33]2([CH3:33])[CH3:23]', '27 28 H 16.63 -14.10 C:15 20.35 -5.44 C:6002 19.06 -17.35 C:17 20.35 -11.08 C:16 17.83 -6.84 C:18 16.35 -14.92 C:19 14.42 -14.92 C:20 16.63 -10.35 O 20.26 -15.26 O 20.35 -13.86 O 19.13 -6.14 C:14 20.35 -6.84 C:2 14.16 -11.79 C:11 17.83 -9.64 C:3 14.16 -13.19 C:1 15.38 -11.08 C:12 19.13 -8.97 O 17.83 -15.26 C:6001 19.06 -15.96 C:8 19.13 -11.79 C:9 17.83 -11.08 C:7 19.13 -13.19 C:6 17.83 -13.86 C:13 19.13 -7.54 C:4 15.38 -13.86 C:5 16.63 -13.19 C:10 16.63 -11.79 26 1 -2 2 12 2 3 19 1 4 20 1 5 24 1 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -2 24 11 -2 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', '27 28 H 16.63 -14.10 C 20.35 -5.44 C 19.06 -17.35 C 20.35 -11.08 C 17.83 -6.84 C 16.35 -14.92 C 14.42 -14.92 C 16.63 -10.35 O 20.26 -15.26 O 20.35 -13.86 O 19.13 -6.14 C 20.35 -6.84 C 14.16 -11.79 C 17.83 -9.64 C 14.16 -13.19 C 15.38 -11.08 C 19.13 -8.97 O 17.83 -15.26 C 19.06 -15.96 C 19.13 -11.79 C 17.83 -11.08 C 19.13 -13.19 C 17.83 -13.86 C 19.13 -7.54 C 15.38 -13.86 C 16.63 -13.19 C 16.63 -11.79 26 1 -2 2 12 2 3 19 1 4 20 1 5 24 1 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -2 24 11 -2 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', '27 28 H 16.63 -14.10 C:112 20.35 -5.44 C:21 19.06 -17.35 C:18 20.35 -11.08 C:28 17.83 -6.84 C:33 16.35 -14.92 C:23 14.42 -14.92 C:21 16.63 -10.35 O 20.26 -15.26 O 20.35 -13.86 O 19.13 -6.14 C:145 20.35 -6.84 C:19 14.16 -11.79 C:22 17.83 -9.64 C:43 14.16 -13.19 C:39 15.38 -11.08 C:42 19.13 -8.97 O 17.83 -15.26 C:171 19.06 -15.96 C:124 19.13 -11.79 C:145 17.83 -11.08 C:73 19.13 -13.19 C:73 17.83 -13.86 C:73 19.13 -7.54 C:33 15.38 -13.86 C:48 16.63 -13.19 C:40 16.63 -11.79 26 1 -2 2 12 2 3 19 1 4 20 1 5 24 1 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -2 24 11 -2 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', 'C22H36O4', 364.241, 'C', 'tt08_8815_36', 3689, '', '', '1', 47, NULL, NULL),
(14427, '', '6β-Acetoxy-labda-8,14-diene-7α,13R-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][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([CH3:18])[CH3:19]', '[H][C@@]12[C@H](OC(C)=O)[C@@H](O)C(C)=C(CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:48]12[C@H:73](O[C:171]([CH3:22])=O)[C@@H:73](O)[C:124]([CH3:18])=[C:145]([CH2:23][CH2:42][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@:33]2([CH3:33])[CH3:23]', '27 28 H 16.63 -14.10 C:15 20.35 -5.44 C:6002 19.06 -17.35 C:17 20.35 -11.08 C:16 17.83 -6.84 C:18 16.35 -14.92 C:19 14.42 -14.92 C:20 16.63 -10.35 O 20.26 -15.26 O 20.35 -13.86 O 19.13 -6.14 C:14 20.35 -6.84 C:2 14.16 -11.79 C:11 17.83 -9.64 C:3 14.16 -13.19 C:1 15.38 -11.08 C:12 19.13 -8.97 O 17.83 -15.26 C:6001 19.06 -15.96 C:8 19.13 -11.79 C:9 17.83 -11.08 C:7 19.13 -13.19 C:6 17.83 -13.86 C:13 19.13 -7.54 C:4 15.38 -13.86 C:5 16.63 -13.19 C:10 16.63 -11.79 26 1 -2 2 12 2 3 19 1 4 20 1 5 24 1 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -2 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', '27 28 H 16.63 -14.10 C 20.35 -5.44 C 19.06 -17.35 C 20.35 -11.08 C 17.83 -6.84 C 16.35 -14.92 C 14.42 -14.92 C 16.63 -10.35 O 20.26 -15.26 O 20.35 -13.86 O 19.13 -6.14 C 20.35 -6.84 C 14.16 -11.79 C 17.83 -9.64 C 14.16 -13.19 C 15.38 -11.08 C 19.13 -8.97 O 17.83 -15.26 C 19.06 -15.96 C 19.13 -11.79 C 17.83 -11.08 C 19.13 -13.19 C 17.83 -13.86 C 19.13 -7.54 C 15.38 -13.86 C 16.63 -13.19 C 16.63 -11.79 26 1 -2 2 12 2 3 19 1 4 20 1 5 24 1 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -2 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', '27 28 H 16.63 -14.10 C:112 20.35 -5.44 C:22 19.06 -17.35 C:18 20.35 -11.08 C:28 17.83 -6.84 C:33 16.35 -14.92 C:23 14.42 -14.92 C:21 16.63 -10.35 O 20.26 -15.26 O 20.35 -13.86 O 19.13 -6.14 C:145 20.35 -6.84 C:19 14.16 -11.79 C:23 17.83 -9.64 C:43 14.16 -13.19 C:39 15.38 -11.08 C:42 19.13 -8.97 O 17.83 -15.26 C:171 19.06 -15.96 C:124 19.13 -11.79 C:145 17.83 -11.08 C:73 19.13 -13.19 C:73 17.83 -13.86 C:74 19.13 -7.54 C:33 15.38 -13.86 C:48 16.63 -13.19 C:40 16.63 -11.79 26 1 -2 2 12 2 3 19 1 4 20 1 5 24 1 25 6 -2 25 7 -1 27 8 -1 9 19 2 22 10 -2 24 11 -1 12 24 1 13 15 1 13 16 1 14 17 1 14 21 1 15 25 1 16 27 1 17 24 1 18 19 1 23 18 -1 20 21 2 20 22 1 21 27 1 22 23 1 23 26 1 25 26 1 26 27 1', 'C22H36O4', 364.241, 'C', 'tt08_8815_37', 3689, '', '', '1', 47, NULL, NULL),
(14428, '', 'Ethyl 6β,7β-carbonyldioxy-labda-8,13Z-dien-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=CC(=O)OCC)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:156](=O)O[C@@H:79]1[C:122]([CH3:16])=[C:149]([CH2:26][CH2:39][C:159]([CH3:23])=[CH:117][C:166](=O)O[CH2:60][CH3:15])[C@@:39]2([CH3:24])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:25])[CH3:33]', '29 31 H 14.21 -13.76 C:15002 22.77 -6.50 C:16 15.41 -6.50 C:17 17.92 -10.74 C:19 12.00 -14.58 C:18 13.93 -14.58 C:20 14.21 -10.01 O 19.14 -8.63 O 17.68 -16.34 C:14 17.92 -6.50 C:15001 21.56 -7.20 C:2 11.74 -11.45 C:12 16.71 -8.63 C:11 15.41 -9.30 C:3 11.74 -12.85 C:1 12.96 -10.74 O 20.35 -6.50 O 17.68 -13.84 O 15.66 -14.88 C:13 16.71 -7.20 C:15 19.14 -7.20 C:7001 17.05 -15.10 C:8 16.71 -11.45 C:9 15.41 -10.74 C:7 16.71 -12.85 C:6 15.41 -13.52 C:4 12.96 -13.52 C:10 14.21 -11.45 C:5 14.21 -12.85 29 1 -2 2 11 1 3 20 1 4 23 1 27 5 -1 27 6 -2 28 7 -1 8 21 2 9 22 2 10 20 2 10 21 1 11 17 1 12 15 1 12 16 1 13 14 1 13 20 1 14 24 1 15 27 1 16 28 1 17 21 1 18 22 1 25 18 -1 19 22 1 26 19 -1 23 24 2 23 25 1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 31 H 14.21 -13.76 C 22.77 -6.50 C 15.41 -6.50 C 17.92 -10.74 C 12.00 -14.58 C 13.93 -14.58 C 14.21 -10.01 O 19.14 -8.63 O 17.68 -16.34 C 17.92 -6.50 C 21.56 -7.20 C 11.74 -11.45 C 16.71 -8.63 C 15.41 -9.30 C 11.74 -12.85 C 12.96 -10.74 O 20.35 -6.50 O 17.68 -13.84 O 15.66 -14.88 C 16.71 -7.20 C 19.14 -7.20 C 17.05 -15.10 C 16.71 -11.45 C 15.41 -10.74 C 16.71 -12.85 C 15.41 -13.52 C 12.96 -13.52 C 14.21 -11.45 C 14.21 -12.85 29 1 -2 2 11 1 3 20 1 4 23 1 27 5 -1 27 6 -2 28 7 -1 8 21 2 9 22 2 10 20 2 10 21 1 11 17 1 12 15 1 12 16 1 13 14 1 13 20 1 14 24 1 15 27 1 16 28 1 17 21 1 18 22 1 25 18 -1 19 22 1 26 19 -1 23 24 2 23 25 1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 31 H 14.21 -13.76 C:15 22.77 -6.50 C:23 15.41 -6.50 C:16 17.92 -10.74 C:25 12.00 -14.58 C:33 13.93 -14.58 C:24 14.21 -10.01 O 19.14 -8.63 O 17.68 -16.34 C:117 17.92 -6.50 C:60 21.56 -7.20 C:19 11.74 -11.45 C:39 16.71 -8.63 C:26 15.41 -9.30 C:43 11.74 -12.85 C:39 12.96 -10.74 O 20.35 -6.50 O 17.68 -13.84 O 15.66 -14.88 C:159 16.71 -7.20 C:166 19.14 -7.20 C:156 17.05 -15.10 C:122 16.71 -11.45 C:149 15.41 -10.74 C:79 16.71 -12.85 C:75 15.41 -13.52 C:34 12.96 -13.52 C:39 14.21 -11.45 C:52 14.21 -12.85 29 1 -2 2 11 1 3 20 1 4 23 1 27 5 -1 27 6 -2 28 7 -1 8 21 2 9 22 2 10 20 2 10 21 1 11 17 1 12 15 1 12 16 1 13 14 1 13 20 1 14 24 1 15 27 1 16 28 1 17 21 1 18 22 1 25 18 -1 19 22 1 26 19 -1 23 24 2 23 25 1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', 'C23H34O5', 390.251, 'C', 'tt08_8815_38', 3689, '', '', '1', 47, 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
(14429, '', 'Ethyl 6β,7β-carbonyldioxy-labda-8,13E-dien-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=CC(=O)OCC)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:51]23[C@@H:74]1O[C:154](=O)O[C@@H:78]1[C:121]([CH3:16])=[C:148]([CH2:26][CH2:40][C:158]([CH3:18])=[CH:115][C:166](=O)O[CH2:59][CH3:14])[C@@:38]2([CH3:22])[CH2:38][CH2:18][CH2:42][C@:33]3([CH3:32])[CH3:23]', '29 31 H 15.40 -15.84 C:15002 21.53 -4.38 C:16 16.60 -8.58 C:17 19.11 -12.82 C:18 15.12 -16.66 C:19 13.18 -16.66 C:20 15.40 -12.09 O 17.90 -6.48 O 18.87 -18.43 C:14 19.11 -8.58 C:15001 20.31 -5.07 C:2 12.92 -13.53 C:12 17.90 -10.71 C:11 16.60 -11.38 C:3 12.92 -14.93 C:1 14.15 -12.82 O 20.31 -6.48 O 18.87 -15.92 O 16.85 -16.96 C:13 17.90 -9.28 C:15 19.11 -7.18 C:7001 18.24 -17.19 C:8 17.90 -13.53 C:9 16.60 -12.82 C:7 17.90 -14.93 C:6 16.60 -15.60 C:4 14.15 -15.60 C:10 15.40 -13.53 C:5 15.40 -14.93 29 1 -2 2 11 1 3 20 1 4 23 1 27 5 -2 27 6 -1 28 7 -1 8 21 2 9 22 2 10 20 2 10 21 1 11 17 1 12 15 1 12 16 1 13 14 1 13 20 1 14 24 1 15 27 1 16 28 1 17 21 1 18 22 1 25 18 -1 19 22 1 26 19 -1 23 24 2 23 25 1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 31 H 15.40 -15.84 C 21.53 -4.38 C 16.60 -8.58 C 19.11 -12.82 C 15.12 -16.66 C 13.18 -16.66 C 15.40 -12.09 O 17.90 -6.48 O 18.87 -18.43 C 19.11 -8.58 C 20.31 -5.07 C 12.92 -13.53 C 17.90 -10.71 C 16.60 -11.38 C 12.92 -14.93 C 14.15 -12.82 O 20.31 -6.48 O 18.87 -15.92 O 16.85 -16.96 C 17.90 -9.28 C 19.11 -7.18 C 18.24 -17.19 C 17.90 -13.53 C 16.60 -12.82 C 17.90 -14.93 C 16.60 -15.60 C 14.15 -15.60 C 15.40 -13.53 C 15.40 -14.93 29 1 -2 2 11 1 3 20 1 4 23 1 27 5 -2 27 6 -1 28 7 -1 8 21 2 9 22 2 10 20 2 10 21 1 11 17 1 12 15 1 12 16 1 13 14 1 13 20 1 14 24 1 15 27 1 16 28 1 17 21 1 18 22 1 25 18 -1 19 22 1 26 19 -1 23 24 2 23 25 1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', '29 31 H 15.40 -15.84 C:14 21.53 -4.38 C:18 16.60 -8.58 C:16 19.11 -12.82 C:32 15.12 -16.66 C:23 13.18 -16.66 C:22 15.40 -12.09 O 17.90 -6.48 O 18.87 -18.43 C:115 19.11 -8.58 C:59 20.31 -5.07 C:18 12.92 -13.53 C:40 17.90 -10.71 C:26 16.60 -11.38 C:42 12.92 -14.93 C:38 14.15 -12.82 O 20.31 -6.48 O 18.87 -15.92 O 16.85 -16.96 C:158 17.90 -9.28 C:166 19.11 -7.18 C:154 18.24 -17.19 C:121 17.90 -13.53 C:148 16.60 -12.82 C:78 17.90 -14.93 C:74 16.60 -15.60 C:33 14.15 -15.60 C:38 15.40 -13.53 C:51 15.40 -14.93 29 1 -2 2 11 1 3 20 1 4 23 1 27 5 -2 27 6 -1 28 7 -1 8 21 2 9 22 2 10 20 2 10 21 1 11 17 1 12 15 1 12 16 1 13 14 1 13 20 1 14 24 1 15 27 1 16 28 1 17 21 1 18 22 1 25 18 -1 19 22 1 26 19 -1 23 24 2 23 25 1 24 28 1 25 26 1 26 29 1 27 29 1 28 29 1', 'C23H34O5', 390.251, 'C+C', 'tt08_8815_39', 3689, '', '', '1', 47, NULL, NULL),
(14430, '', 'Ethyl 7α-acetoxy-6β-hidroxy-labda-8,13E-dien-15-oate', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O[CH2:15001][CH3:15002])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@@H](OC(C)=O)C(C)=C(CCC(C)=CC(=O)OCC)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:51]12[C@H:69](O)[C@@H:78](O[C:170]([CH3:21])=O)[C:121]([CH3:17])=[C:148]([CH2:25][CH2:40][C:158]([CH3:18])=[CH:115][C:166](=O)O[CH2:59][CH3:14])[C@@:39]1([CH3:22])[CH2:39][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:33]', '30 31 H 15.43 -16.22 C:15002 21.58 -4.77 C:7002 20.36 -18.09 C:16 16.61 -8.98 C:17 19.15 -13.21 C:19 13.23 -17.03 C:18 15.15 -17.03 C:20 15.43 -12.48 O 17.92 -18.07 O 17.92 -6.86 O 16.61 -17.37 C:14 19.16 -8.98 C:15001 20.36 -5.46 C:2 12.97 -13.92 C:12 17.92 -11.10 C:11 16.61 -11.77 C:3 12.97 -15.31 C:1 14.18 -13.21 O 20.36 -6.86 O 19.16 -15.99 C:7001 19.15 -17.38 C:13 17.92 -9.68 C:15 19.16 -7.57 C:8 17.92 -13.92 C:9 16.61 -13.21 C:6 16.61 -15.98 C:7 17.92 -15.31 C:4 14.18 -15.98 C:10 15.43 -13.92 C:5 15.43 -15.31 30 1 -2 2 13 1 3 21 1 4 22 1 5 24 1 28 6 -1 28 7 -2 29 8 -1 9 21 2 10 23 2 26 11 -1 12 22 2 12 23 1 13 19 1 14 17 1 14 18 1 15 16 1 15 22 1 16 25 1 17 28 1 18 29 1 19 23 1 20 21 1 27 20 -2 24 25 2 24 27 1 25 29 1 26 27 1 26 30 1 28 30 1 29 30 1', '30 31 H 15.43 -16.22 C 21.58 -4.77 C 20.36 -18.09 C 16.61 -8.98 C 19.15 -13.21 C 13.23 -17.03 C 15.15 -17.03 C 15.43 -12.48 O 17.92 -18.07 O 17.92 -6.86 O 16.61 -17.37 C 19.16 -8.98 C 20.36 -5.46 C 12.97 -13.92 C 17.92 -11.10 C 16.61 -11.77 C 12.97 -15.31 C 14.18 -13.21 O 20.36 -6.86 O 19.16 -15.99 C 19.15 -17.38 C 17.92 -9.68 C 19.16 -7.57 C 17.92 -13.92 C 16.61 -13.21 C 16.61 -15.98 C 17.92 -15.31 C 14.18 -15.98 C 15.43 -13.92 C 15.43 -15.31 30 1 -2 2 13 1 3 21 1 4 22 1 5 24 1 28 6 -1 28 7 -2 29 8 -1 9 21 2 10 23 2 26 11 -1 12 22 2 12 23 1 13 19 1 14 17 1 14 18 1 15 16 1 15 22 1 16 25 1 17 28 1 18 29 1 19 23 1 20 21 1 27 20 -2 24 25 2 24 27 1 25 29 1 26 27 1 26 30 1 28 30 1 29 30 1', '30 31 H 15.43 -16.22 C:14 21.58 -4.77 C:21 20.36 -18.09 C:18 16.61 -8.98 C:17 19.15 -13.21 C:24 13.23 -17.03 C:33 15.15 -17.03 C:22 15.43 -12.48 O 17.92 -18.07 O 17.92 -6.86 O 16.61 -17.37 C:115 19.16 -8.98 C:59 20.36 -5.46 C:19 12.97 -13.92 C:40 17.92 -11.10 C:25 16.61 -11.77 C:43 12.97 -15.31 C:39 14.18 -13.21 O 20.36 -6.86 O 19.16 -15.99 C:170 19.15 -17.38 C:158 17.92 -9.68 C:166 19.16 -7.57 C:121 17.92 -13.92 C:148 16.61 -13.21 C:69 16.61 -15.98 C:78 17.92 -15.31 C:34 14.18 -15.98 C:39 15.43 -13.92 C:51 15.43 -15.31 30 1 -2 2 13 1 3 21 1 4 22 1 5 24 1 28 6 -1 28 7 -2 29 8 -1 9 21 2 10 23 2 26 11 -1 12 22 2 12 23 1 13 19 1 14 17 1 14 18 1 15 16 1 15 22 1 16 25 1 17 28 1 18 29 1 19 23 1 20 21 1 27 20 -2 24 25 2 24 27 1 25 29 1 26 27 1 26 30 1 28 30 1 29 30 1', 'C24H38O5', 406.262, 'C', 'tt08_8815_40', 3689, '', '', '1', 47, NULL, NULL),
(14431, '', 'Labda-8,13E-dien-6β,7α,15-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@@H](O)C(C)=C(CCC(C)=CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:49]12[C@H:72](O)[C@@H:76](O)[C:124]([CH3:18])=[C:146]([CH2:27][CH2:39][C:140]([CH3:16])=[CH:123][CH2:59]O)[C@@:39]1([CH3:22])[CH2:39][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:33]', '24 25 H 16.61 -15.51 C:16 17.79 -8.29 C:17 20.33 -12.52 C:19 14.39 -16.33 C:18 16.32 -16.33 C:20 16.61 -11.79 O 19.10 -6.14 O 20.33 -15.27 O 17.79 -16.67 C:14 20.33 -8.29 C:15 20.33 -6.86 C:2 14.13 -13.23 C:12 19.10 -10.41 C:11 17.79 -11.08 C:3 14.13 -14.61 C:1 15.34 -12.52 C:13 19.10 -8.98 C:8 19.10 -13.23 C:9 17.79 -12.52 C:7 19.10 -14.61 C:6 17.79 -15.27 C:4 15.34 -15.27 C:10 16.61 -13.23 C:5 16.61 -14.61 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -2 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 16.61 -15.51 C 17.79 -8.29 C 20.33 -12.52 C 14.39 -16.33 C 16.32 -16.33 C 16.61 -11.79 O 19.10 -6.14 O 20.33 -15.27 O 17.79 -16.67 C 20.33 -8.29 C 20.33 -6.86 C 14.13 -13.23 C 19.10 -10.41 C 17.79 -11.08 C 14.13 -14.61 C 15.34 -12.52 C 19.10 -8.98 C 19.10 -13.23 C 17.79 -12.52 C 19.10 -14.61 C 17.79 -15.27 C 15.34 -15.27 C 16.61 -13.23 C 16.61 -14.61 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -2 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 16.61 -15.51 C:16 17.79 -8.29 C:18 20.33 -12.52 C:24 14.39 -16.33 C:33 16.32 -16.33 C:22 16.61 -11.79 O 19.10 -6.14 O 20.33 -15.27 O 17.79 -16.67 C:123 20.33 -8.29 C:59 20.33 -6.86 C:19 14.13 -13.23 C:39 19.10 -10.41 C:27 17.79 -11.08 C:43 14.13 -14.61 C:39 15.34 -12.52 C:140 19.10 -8.98 C:124 19.10 -13.23 C:146 17.79 -12.52 C:76 19.10 -14.61 C:72 17.79 -15.27 C:34 15.34 -15.27 C:39 16.61 -13.23 C:49 16.61 -14.61 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -2 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C20H34O3', 322.22, 'C', 'tt08_8815_41', 3689, '', '', '1', 47, NULL, NULL),
(14432, '', '6β,7α,15-Triisovaleryloxy-labda-8,13E-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001](=O)[CH2:6002][CH:6003]([CH3:6004])[CH3:6005])[C@@H:7](O[C:7001](=O)[CH2:7002][CH:7003]([CH3:7004])[CH3:7005])[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[C:15001](=O)[CH2:15002][CH:15003]([CH3:15005])[CH3:15004])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)C(C)=C(CCC(C)=CCOC(=O)CC(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:49]12[C@H:70](O[C:173](=O)[CH2:44][CH:26]([CH3:23])[CH3:22])[C@@H:74](O[C:170](=O)[CH2:44][CH:25]([CH3:23])[CH3:22])[C:122]([CH3:17])=[C:148]([CH2:27][CH2:38][C:142]([CH3:17])=[CH:118][CH2:61]O[C:170](=O)[CH2:44][CH:25]([CH3:22])[CH3:22])[C@@:40]1([CH3:22])[CH2:39][CH2:19][CH2:43][C@@:33]2([CH3:23])[CH3:33]', '42 43 H 13.61 -13.41 C:16 14.79 -6.17 C:17 17.34 -10.42 C:15005 23.40 -4.04 C:15004 22.19 -6.17 C:7004 22.19 -13.17 C:7005 20.99 -11.13 C:6004 18.44 -16.65 C:6005 17.24 -18.76 C:19 11.39 -14.23 C:18 13.31 -14.23 C:20 13.61 -9.68 O 19.77 -6.17 O 18.57 -11.13 O 17.24 -14.57 C:14 17.34 -6.17 C:15 17.34 -4.74 C:2 11.13 -11.13 C:12 16.10 -8.29 C:11 14.79 -8.97 C:3 11.13 -12.51 C:1 12.34 -10.42 C:15002 20.99 -4.04 C:7002 19.77 -13.17 C:6002 16.00 -16.65 O 18.57 -4.04 O 17.34 -13.17 O 14.79 -14.57 C:13 16.10 -6.86 C:15001 19.77 -4.74 C:7001 18.57 -12.51 C:6001 16.00 -15.25 C:8 16.10 -11.13 C:9 14.79 -10.42 C:15003 22.19 -4.74 C:7003 20.99 -12.51 C:6003 17.24 -17.35 C:7 16.10 -12.51 C:6 14.79 -13.17 C:4 12.34 -13.17 C:10 13.61 -11.13 C:5 13.61 -12.51 42 1 -2 2 29 1 3 33 1 4 35 1 5 35 1 6 36 1 7 36 1 8 37 1 9 37 1 40 10 -1 40 11 -2 41 12 -1 13 30 2 14 31 2 15 32 2 16 17 1 16 29 2 17 26 1 18 21 1 18 22 1 19 20 1 19 29 1 20 34 1 21 40 1 22 41 1 23 30 1 23 35 1 24 31 1 24 36 1 25 32 1 25 37 1 26 30 1 27 31 1 38 27 -2 28 32 1 39 28 -1 33 34 2 33 38 1 34 41 1 38 39 1 39 42 1 40 42 1 41 42 1', '42 43 H 13.61 -13.41 C 14.79 -6.17 C 17.34 -10.42 C 23.40 -4.04 C 22.19 -6.17 C 22.19 -13.17 C 20.99 -11.13 C 18.44 -16.65 C 17.24 -18.76 C 11.39 -14.23 C 13.31 -14.23 C 13.61 -9.68 O 19.77 -6.17 O 18.57 -11.13 O 17.24 -14.57 C 17.34 -6.17 C 17.34 -4.74 C 11.13 -11.13 C 16.10 -8.29 C 14.79 -8.97 C 11.13 -12.51 C 12.34 -10.42 C 20.99 -4.04 C 19.77 -13.17 C 16.00 -16.65 O 18.57 -4.04 O 17.34 -13.17 O 14.79 -14.57 C 16.10 -6.86 C 19.77 -4.74 C 18.57 -12.51 C 16.00 -15.25 C 16.10 -11.13 C 14.79 -10.42 C 22.19 -4.74 C 20.99 -12.51 C 17.24 -17.35 C 16.10 -12.51 C 14.79 -13.17 C 12.34 -13.17 C 13.61 -11.13 C 13.61 -12.51 42 1 -2 2 29 1 3 33 1 4 35 1 5 35 1 6 36 1 7 36 1 8 37 1 9 37 1 40 10 -1 40 11 -2 41 12 -1 13 30 2 14 31 2 15 32 2 16 17 1 16 29 2 17 26 1 18 21 1 18 22 1 19 20 1 19 29 1 20 34 1 21 40 1 22 41 1 23 30 1 23 35 1 24 31 1 24 36 1 25 32 1 25 37 1 26 30 1 27 31 1 38 27 -2 28 32 1 39 28 -1 33 34 2 33 38 1 34 41 1 38 39 1 39 42 1 40 42 1 41 42 1', '42 43 H 13.61 -13.41 C:17 14.79 -6.17 C:17 17.34 -10.42 C:22 23.40 -4.04 C:22 22.19 -6.17 C:23 22.19 -13.17 C:22 20.99 -11.13 C:23 18.44 -16.65 C:22 17.24 -18.76 C:23 11.39 -14.23 C:33 13.31 -14.23 C:22 13.61 -9.68 O 19.77 -6.17 O 18.57 -11.13 O 17.24 -14.57 C:118 17.34 -6.17 C:61 17.34 -4.74 C:19 11.13 -11.13 C:38 16.10 -8.29 C:27 14.79 -8.97 C:43 11.13 -12.51 C:39 12.34 -10.42 C:44 20.99 -4.04 C:44 19.77 -13.17 C:44 16.00 -16.65 O 18.57 -4.04 O 17.34 -13.17 O 14.79 -14.57 C:142 16.10 -6.86 C:170 19.77 -4.74 C:170 18.57 -12.51 C:173 16.00 -15.25 C:122 16.10 -11.13 C:148 14.79 -10.42 C:25 22.19 -4.74 C:25 20.99 -12.51 C:26 17.24 -17.35 C:74 16.10 -12.51 C:70 14.79 -13.17 C:33 12.34 -13.17 C:40 13.61 -11.13 C:49 13.61 -12.51 42 1 -2 2 29 1 3 33 1 4 35 1 5 35 1 6 36 1 7 36 1 8 37 1 9 37 1 40 10 -1 40 11 -2 41 12 -1 13 30 2 14 31 2 15 32 2 16 17 1 16 29 2 17 26 1 18 21 1 18 22 1 19 20 1 19 29 1 20 34 1 21 40 1 22 41 1 23 30 1 23 35 1 24 31 1 24 36 1 25 32 1 25 37 1 26 30 1 27 31 1 38 27 -2 28 32 1 39 28 -1 33 34 2 33 38 1 34 41 1 38 39 1 39 42 1 40 42 1 41 42 1', 'C35H58O6', 574.379, 'C', 'tt08_8815_42', 3689, '', '', '1', 47, NULL, NULL),
(14433, '', '6β-Isovaleryloxy-labda-8,13E-diene-7α,15-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001](=O)[CH2:6002][CH:6003]([CH3:6004])[CH3:6005])[C@@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](OC(=O)CC(C)C)[C@@H](O)C(C)=C(CCC(C)=CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:48]12[C@H:73](O[C:173](=O)[CH2:44][CH:26]([CH3:23])[CH3:22])[C@@H:73](O)[C:124]([CH3:18])=[C:146]([CH2:27][CH2:39][C:140]([CH3:16])=[CH:123][CH2:59]O)[C@@:40]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:33]', '30 31 H 16.04 -13.45 C:16 17.22 -6.22 C:17 19.77 -10.46 C:6004 20.87 -16.69 C:6005 19.67 -18.79 C:19 13.83 -14.27 C:18 15.75 -14.27 C:20 16.04 -9.73 O 19.67 -14.61 O 20.98 -4.09 O 19.77 -13.21 C:14 19.77 -6.22 C:15 19.77 -4.79 C:2 13.57 -11.17 C:12 18.53 -8.34 C:11 17.22 -9.02 C:3 13.57 -12.55 C:1 14.78 -10.46 C:6002 18.43 -16.69 O 17.22 -14.61 C:13 18.53 -6.91 C:6001 18.43 -15.29 C:8 18.53 -11.17 C:9 17.22 -10.46 C:6003 19.67 -17.39 C:7 18.53 -12.55 C:6 17.22 -13.21 C:4 14.78 -13.21 C:10 16.04 -11.17 C:5 16.04 -12.55 30 1 -2 2 21 1 3 23 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 9 22 2 10 13 1 26 11 -2 12 13 1 12 21 2 14 17 1 14 18 1 15 16 1 15 21 1 16 24 1 17 28 1 18 29 1 19 22 1 19 25 1 20 22 1 27 20 -1 23 24 2 23 26 1 24 29 1 26 27 1 27 30 1 28 30 1 29 30 1', '30 31 H 16.04 -13.45 C 17.22 -6.22 C 19.77 -10.46 C 20.87 -16.69 C 19.67 -18.79 C 13.83 -14.27 C 15.75 -14.27 C 16.04 -9.73 O 19.67 -14.61 O 20.98 -4.09 O 19.77 -13.21 C 19.77 -6.22 C 19.77 -4.79 C 13.57 -11.17 C 18.53 -8.34 C 17.22 -9.02 C 13.57 -12.55 C 14.78 -10.46 C 18.43 -16.69 O 17.22 -14.61 C 18.53 -6.91 C 18.43 -15.29 C 18.53 -11.17 C 17.22 -10.46 C 19.67 -17.39 C 18.53 -12.55 C 17.22 -13.21 C 14.78 -13.21 C 16.04 -11.17 C 16.04 -12.55 30 1 -2 2 21 1 3 23 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 9 22 2 10 13 1 26 11 -2 12 13 1 12 21 2 14 17 1 14 18 1 15 16 1 15 21 1 16 24 1 17 28 1 18 29 1 19 22 1 19 25 1 20 22 1 27 20 -1 23 24 2 23 26 1 24 29 1 26 27 1 27 30 1 28 30 1 29 30 1', '30 31 H 16.04 -13.45 C:16 17.22 -6.22 C:18 19.77 -10.46 C:23 20.87 -16.69 C:22 19.67 -18.79 C:24 13.83 -14.27 C:33 15.75 -14.27 C:21 16.04 -9.73 O 19.67 -14.61 O 20.98 -4.09 O 19.77 -13.21 C:123 19.77 -6.22 C:59 19.77 -4.79 C:19 13.57 -11.17 C:39 18.53 -8.34 C:27 17.22 -9.02 C:43 13.57 -12.55 C:39 14.78 -10.46 C:44 18.43 -16.69 O 17.22 -14.61 C:140 18.53 -6.91 C:173 18.43 -15.29 C:124 18.53 -11.17 C:146 17.22 -10.46 C:26 19.67 -17.39 C:73 18.53 -12.55 C:73 17.22 -13.21 C:34 14.78 -13.21 C:40 16.04 -11.17 C:48 16.04 -12.55 30 1 -2 2 21 1 3 23 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 9 22 2 10 13 1 26 11 -2 12 13 1 12 21 2 14 17 1 14 18 1 15 16 1 15 21 1 16 24 1 17 28 1 18 29 1 19 22 1 19 25 1 20 22 1 27 20 -1 23 24 2 23 26 1 24 29 1 26 27 1 27 30 1 28 30 1 29 30 1', 'C25H42O4', 406.273, 'C', 'tt08_8815_3', 3689, '', '', '1', 47, NULL, NULL),
(14434, '', 'Labda-8,13Z-dien-6β,7β,15-triol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CCC(C)=CCO)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:53]12[C@H:68](O)[C@H:74](O)[C:126]([CH3:15])=[C:144]([CH2:27][CH2:32][C:141]([CH3:24])=[CH:124][CH2:59]O)[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:34]', '24 25 H 15.40 -14.47 C:16 16.58 -7.23 C:17 19.13 -11.48 C:19 13.17 -15.29 C:18 15.10 -15.29 C:20 15.40 -10.74 O 21.55 -7.23 O 19.13 -14.23 O 16.58 -15.63 C:14 19.13 -7.23 C:15 20.33 -7.92 C:2 12.91 -12.18 C:12 17.89 -9.35 C:11 16.58 -10.03 C:3 12.91 -13.56 C:1 14.13 -11.48 C:13 17.89 -7.92 C:8 17.89 -12.18 C:9 16.58 -11.48 C:7 17.89 -13.56 C:6 16.58 -14.23 C:4 14.13 -14.23 C:10 15.40 -12.18 C:5 15.40 -13.56 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -1 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 15.40 -14.47 C 16.58 -7.23 C 19.13 -11.48 C 13.17 -15.29 C 15.10 -15.29 C 15.40 -10.74 O 21.55 -7.23 O 19.13 -14.23 O 16.58 -15.63 C 19.13 -7.23 C 20.33 -7.92 C 12.91 -12.18 C 17.89 -9.35 C 16.58 -10.03 C 12.91 -13.56 C 14.13 -11.48 C 17.89 -7.92 C 17.89 -12.18 C 16.58 -11.48 C 17.89 -13.56 C 16.58 -14.23 C 14.13 -14.23 C 15.40 -12.18 C 15.40 -13.56 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -1 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 25 H 15.40 -14.47 C:24 16.58 -7.23 C:15 19.13 -11.48 C:24 13.17 -15.29 C:34 15.10 -15.29 C:22 15.40 -10.74 O 21.55 -7.23 O 19.13 -14.23 O 16.58 -15.63 C:124 19.13 -7.23 C:59 20.33 -7.92 C:19 12.91 -12.18 C:32 17.89 -9.35 C:27 16.58 -10.03 C:43 12.91 -13.56 C:40 14.13 -11.48 C:141 17.89 -7.92 C:126 17.89 -12.18 C:144 16.58 -11.48 C:74 17.89 -13.56 C:68 16.58 -14.23 C:34 14.13 -14.23 C:40 15.40 -12.18 C:53 15.40 -13.56 24 1 -2 2 17 1 3 18 1 22 4 -1 22 5 -2 23 6 -1 7 11 1 20 8 -1 21 9 -1 10 11 1 10 17 2 12 15 1 12 16 1 13 14 1 13 17 1 14 19 1 15 22 1 16 23 1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C20H34O3', 322.22, 'C+C', 'tt08_8815_43', 3689, '', '', '1', 47, NULL, NULL),
(14435, '', '15-tert-Butyldimethylsilyloxy-labda-8,13Z-diene-6β,7β-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[Si]([CH3:15003])([CH3:15002])[C:15001]([CH3:15006])([CH3:15004])[CH3:15005])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](O)[C@H](O)C(C)=C(CCC(C)=CCOS(C)(C)C(C)(C)C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:53]12[C@H:68](O)[C@H:73](O)[C:126]([CH3:15])=[C:144]([CH2:27][CH2:32][C:138]([CH3:24])=[CH:125][CH2:60]O[Si]([CH3:19])([CH3:19])[C:26]([CH3:5])([CH3:1])[CH3:5])[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@@:34]2([CH3:24])[CH3:34]', '31 32 H 13.60 -14.46 C:16 14.78 -7.23 C:17 17.33 -11.47 C:15006 23.36 -9.35 C:15004 23.36 -7.92 C:15005 22.14 -10.03 C:19 11.37 -15.28 C:18 13.30 -15.28 C:20 13.60 -10.73 C:15003 20.93 -9.35 C:15002 22.14 -7.23 O 17.33 -14.22 O 14.78 -15.62 C:14 17.33 -7.23 C:15 18.53 -7.92 C:2 11.11 -12.17 C:12 16.09 -9.35 C:11 14.78 -10.03 C:3 11.11 -13.55 C:1 12.33 -11.47 O 19.74 -7.23 C:13 16.09 -7.92 C:8 16.09 -12.17 C:9 14.78 -11.47 C:7 16.09 -13.55 C:6 14.78 -14.22 C:15001 22.14 -8.65 C:4 12.33 -14.22 C:10 13.60 -12.17 C:5 13.60 -13.55 Si 20.93 -7.92 30 1 -2 2 22 1 3 23 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 25 12 -1 26 13 -1 14 15 1 14 22 2 15 21 1 16 19 1 16 20 1 17 18 1 17 22 1 18 24 1 19 28 1 20 29 1 21 31 1 23 24 2 23 25 1 24 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', '31 32 H 13.60 -14.46 C 14.78 -7.23 C 17.33 -11.47 C 23.36 -9.35 C 23.36 -7.92 C 22.14 -10.03 C 11.37 -15.28 C 13.30 -15.28 C 13.60 -10.73 C 20.93 -9.35 C 22.14 -7.23 O 17.33 -14.22 O 14.78 -15.62 C 17.33 -7.23 C 18.53 -7.92 C 11.11 -12.17 C 16.09 -9.35 C 14.78 -10.03 C 11.11 -13.55 C 12.33 -11.47 O 19.74 -7.23 C 16.09 -7.92 C 16.09 -12.17 C 14.78 -11.47 C 16.09 -13.55 C 14.78 -14.22 C 22.14 -8.65 C 12.33 -14.22 C 13.60 -12.17 C 13.60 -13.55 Si 20.93 -7.92 30 1 -2 2 22 1 3 23 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 25 12 -1 26 13 -1 14 15 1 14 22 2 15 21 1 16 19 1 16 20 1 17 18 1 17 22 1 18 24 1 19 28 1 20 29 1 21 31 1 23 24 2 23 25 1 24 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', '31 32 H 13.60 -14.46 C:24 14.78 -7.23 C:15 17.33 -11.47 C:5 23.36 -9.35 C:1 23.36 -7.92 C:5 22.14 -10.03 C:24 11.37 -15.28 C:34 13.30 -15.28 C:22 13.60 -10.73 C:19 20.93 -9.35 C:19 22.14 -7.23 O 17.33 -14.22 O 14.78 -15.62 C:125 17.33 -7.23 C:60 18.53 -7.92 C:19 11.11 -12.17 C:32 16.09 -9.35 C:27 14.78 -10.03 C:43 11.11 -13.55 C:40 12.33 -11.47 O 19.74 -7.23 C:138 16.09 -7.92 C:126 16.09 -12.17 C:144 14.78 -11.47 C:73 16.09 -13.55 C:68 14.78 -14.22 C:26 22.14 -8.65 C:34 12.33 -14.22 C:40 13.60 -12.17 C:53 13.60 -13.55 Si 20.93 -7.92 30 1 -2 2 22 1 3 23 1 4 27 1 5 27 1 6 27 1 28 7 -1 28 8 -2 29 9 -1 10 31 1 11 31 1 25 12 -1 26 13 -1 14 15 1 14 22 2 15 21 1 16 19 1 16 20 1 17 18 1 17 22 1 18 24 1 19 28 1 20 29 1 21 31 1 23 24 2 23 25 1 24 29 1 25 26 1 26 30 1 27 31 1 28 30 1 29 30 1', 'C26H48O3S', 440.35, 'C+C', 'tt08_8815_44', 3689, '', '', '1', 47, NULL, NULL),
(14436, '', '15-tert-Butyldimethylsilyloxy-6β,7β-Carbonyldioxy-labda-8,13Z-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[Si]([CH3:15003])([CH3:15002])[C:15001]([CH3:15006])([CH3:15004])[CH3:15005])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(C)=CCOS(C)(C)C(C)(C)C)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:51]23[C@@H:75]1O[C:155](=O)O[C@@H:78]1[C:121]([CH3:16])=[C:149]([CH2:27][CH2:32][C:138]([CH3:24])=[CH:125][CH2:60]O[Si]([CH3:18])([CH3:18])[C:26]([CH3:55])([CH3:1])[CH3:55])[C@@:38]2([CH3:22])[CH2:39][CH2:18][CH2:42][C@@:32]3([CH3:23])[CH3:34]', '33 35 H 13.61 -13.75 C:16 14.79 -6.51 C:17 17.34 -10.75 C:15006 23.38 -8.63 C:15004 23.38 -7.20 C:15005 22.16 -9.31 C:19 11.38 -14.57 C:18 13.31 -14.57 C:20 13.61 -10.01 C:15003 20.94 -8.63 C:15002 22.16 -6.51 O 17.05 -16.33 C:14 17.34 -6.51 C:15 18.54 -7.20 C:2 11.12 -11.45 C:12 16.10 -8.63 C:11 14.79 -9.31 C:3 11.12 -12.83 C:1 12.34 -10.75 O 19.75 -6.51 O 17.05 -13.84 O 15.04 -14.88 C:13 16.10 -7.20 C:7001 16.42 -15.09 C:8 16.10 -11.45 C:9 14.79 -10.75 C:7 16.10 -12.83 C:6 14.79 -13.51 C:15001 22.16 -7.93 C:4 12.34 -13.51 C:10 13.61 -11.45 C:5 13.61 -12.83 Si 20.94 -7.20 32 1 -2 2 23 1 3 25 1 4 29 1 5 29 1 6 29 1 30 7 -1 30 8 -2 31 9 -1 10 33 1 11 33 1 12 24 2 13 14 1 13 23 2 14 20 1 15 18 1 15 19 1 16 17 1 16 23 1 17 26 1 18 30 1 19 31 1 20 33 1 21 24 1 27 21 -1 22 24 1 28 22 -1 25 26 2 25 27 1 26 31 1 27 28 1 28 32 1 29 33 1 30 32 1 31 32 1', '33 35 H 13.61 -13.75 C 14.79 -6.51 C 17.34 -10.75 C 23.38 -8.63 C 23.38 -7.20 C 22.16 -9.31 C 11.38 -14.57 C 13.31 -14.57 C 13.61 -10.01 C 20.94 -8.63 C 22.16 -6.51 O 17.05 -16.33 C 17.34 -6.51 C 18.54 -7.20 C 11.12 -11.45 C 16.10 -8.63 C 14.79 -9.31 C 11.12 -12.83 C 12.34 -10.75 O 19.75 -6.51 O 17.05 -13.84 O 15.04 -14.88 C 16.10 -7.20 C 16.42 -15.09 C 16.10 -11.45 C 14.79 -10.75 C 16.10 -12.83 C 14.79 -13.51 C 22.16 -7.93 C 12.34 -13.51 C 13.61 -11.45 C 13.61 -12.83 Si 20.94 -7.20 32 1 -2 2 23 1 3 25 1 4 29 1 5 29 1 6 29 1 30 7 -1 30 8 -2 31 9 -1 10 33 1 11 33 1 12 24 2 13 14 1 13 23 2 14 20 1 15 18 1 15 19 1 16 17 1 16 23 1 17 26 1 18 30 1 19 31 1 20 33 1 21 24 1 27 21 -1 22 24 1 28 22 -1 25 26 2 25 27 1 26 31 1 27 28 1 28 32 1 29 33 1 30 32 1 31 32 1', '33 35 H 13.61 -13.75 C:24 14.79 -6.51 C:16 17.34 -10.75 C:5 23.38 -8.63 C:1 23.38 -7.20 C:5 22.16 -9.31 C:23 11.38 -14.57 C:34 13.31 -14.57 C:22 13.61 -10.01 C:18 20.94 -8.63 C:18 22.16 -6.51 O 17.05 -16.33 C:125 17.34 -6.51 C:60 18.54 -7.20 C:18 11.12 -11.45 C:32 16.10 -8.63 C:27 14.79 -9.31 C:42 11.12 -12.83 C:39 12.34 -10.75 O 19.75 -6.51 O 17.05 -13.84 O 15.04 -14.88 C:138 16.10 -7.20 C:155 16.42 -15.09 C:121 16.10 -11.45 C:149 14.79 -10.75 C:78 16.10 -12.83 C:75 14.79 -13.51 C:26 22.16 -7.93 C:32 12.34 -13.51 C:38 13.61 -11.45 C:51 13.61 -12.83 Si 20.94 -7.20 32 1 -2 2 23 1 3 25 1 4 29 1 5 29 1 6 29 1 30 7 -1 30 8 -2 31 9 -1 10 33 1 11 33 1 12 24 2 13 14 1 13 23 2 14 20 1 15 18 1 15 19 1 16 17 1 16 23 1 17 26 1 18 30 1 19 31 1 20 33 1 21 24 1 27 21 -1 22 24 1 28 22 -1 25 26 2 25 27 1 26 31 1 27 28 1 28 32 1 29 33 1 30 32 1 31 32 1', 'C27H46O4S', 466.36, 'C+C', 'tt08_8815_45', 3689, '', '', '1', 47, NULL, NULL),
(14437, '', '7α-Acetoxy-labda-8,13Z-dien-6β,15-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH3:19]', '[H][C@@]12[C@H](O)[C@@H](OC(C)=O)C(C)=C(CCC(C)=CCO)[C@@]1(C)CCC[C@]2(C)C', '[H][C@@:49]12[C@H:72](O)[C@@H:76](O[C:170]([CH3:21])=O)[C:124]([CH3:18])=[C:146]([CH2:27][CH2:32][C:141]([CH3:24])=[CH:124][CH2:59]O)[C@@:40]1([CH3:22])[CH2:40][CH2:19][CH2:43][C@:34]2([CH3:34])[CH3:24]', '27 28 H 15.42 -14.45 C:7002 21.56 -14.11 C:16 16.57 -7.23 C:17 19.14 -11.45 C:18 15.12 -15.27 C:19 13.20 -15.27 C:20 15.42 -10.72 O 20.33 -12.05 O 21.56 -7.23 O 16.57 -15.61 C:14 19.14 -7.23 C:15 20.33 -7.92 C:2 12.94 -12.15 C:12 17.91 -9.35 C:11 16.57 -10.03 C:3 12.94 -13.53 C:1 14.15 -11.45 O 19.14 -14.21 C:7001 20.33 -13.45 C:13 17.91 -7.92 C:8 17.91 -12.15 C:9 16.57 -11.45 C:6 16.57 -14.21 C:7 17.91 -13.53 C:4 14.15 -14.21 C:10 15.42 -12.15 C:5 15.42 -13.53 27 1 -2 2 19 1 3 20 1 4 21 1 25 5 -2 25 6 -1 26 7 -1 8 19 2 9 12 1 23 10 -1 11 12 1 11 20 2 13 16 1 13 17 1 14 15 1 14 20 1 15 22 1 16 25 1 17 26 1 18 19 1 24 18 -2 21 22 2 21 24 1 22 26 1 23 24 1 23 27 1 25 27 1 26 27 1', '27 28 H 15.42 -14.45 C 21.56 -14.11 C 16.57 -7.23 C 19.14 -11.45 C 15.12 -15.27 C 13.20 -15.27 C 15.42 -10.72 O 20.33 -12.05 O 21.56 -7.23 O 16.57 -15.61 C 19.14 -7.23 C 20.33 -7.92 C 12.94 -12.15 C 17.91 -9.35 C 16.57 -10.03 C 12.94 -13.53 C 14.15 -11.45 O 19.14 -14.21 C 20.33 -13.45 C 17.91 -7.92 C 17.91 -12.15 C 16.57 -11.45 C 16.57 -14.21 C 17.91 -13.53 C 14.15 -14.21 C 15.42 -12.15 C 15.42 -13.53 27 1 -2 2 19 1 3 20 1 4 21 1 25 5 -2 25 6 -1 26 7 -1 8 19 2 9 12 1 23 10 -1 11 12 1 11 20 2 13 16 1 13 17 1 14 15 1 14 20 1 15 22 1 16 25 1 17 26 1 18 19 1 24 18 -2 21 22 2 21 24 1 22 26 1 23 24 1 23 27 1 25 27 1 26 27 1', '27 28 H 15.42 -14.45 C:21 21.56 -14.11 C:24 16.57 -7.23 C:18 19.14 -11.45 C:34 15.12 -15.27 C:24 13.20 -15.27 C:22 15.42 -10.72 O 20.33 -12.05 O 21.56 -7.23 O 16.57 -15.61 C:124 19.14 -7.23 C:59 20.33 -7.92 C:19 12.94 -12.15 C:32 17.91 -9.35 C:27 16.57 -10.03 C:43 12.94 -13.53 C:40 14.15 -11.45 O 19.14 -14.21 C:170 20.33 -13.45 C:141 17.91 -7.92 C:124 17.91 -12.15 C:146 16.57 -11.45 C:72 16.57 -14.21 C:76 17.91 -13.53 C:34 14.15 -14.21 C:40 15.42 -12.15 C:49 15.42 -13.53 27 1 -2 2 19 1 3 20 1 4 21 1 25 5 -2 25 6 -1 26 7 -1 8 19 2 9 12 1 23 10 -1 11 12 1 11 20 2 13 16 1 13 17 1 14 15 1 14 20 1 15 22 1 16 25 1 17 26 1 18 19 1 24 18 -2 21 22 2 21 24 1 22 26 1 23 24 1 23 27 1 25 27 1 26 27 1', 'C22H36O4', 364.241, 'C', 'tt08_8815_47', 3689, '', '', '1', 47, NULL, NULL),
(14438, '', '6β,7α,15-Triacetoxy-labda-8,13Z-diene', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[C@H:6](O[C:6001]([CH3:6002])=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][CH2:15]O[C:15001]([CH3:15002])=O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)=C(CCC(C)=CCOC(C)=O)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:49]12[C@H:70](O[C:171]([CH3:22])=O)[C@@H:74](O[C:170]([CH3:21])=O)[C:122]([CH3:17])=[C:148]([CH2:27][CH2:31][C:144]([CH3:24])=[CH:119][CH2:62]O[C:170]([CH3:21])=O)[C@@:39]1([CH3:21])[CH2:39][CH2:19][CH2:43][C@@:34]2([CH3:23])[CH3:33]', '33 34 H 14.19 -13.39 C:15002 22.76 -6.17 C:7002 20.34 -13.05 C:6002 16.55 -16.65 C:16 15.34 -6.17 C:17 17.91 -10.40 C:19 11.97 -14.21 C:18 13.89 -14.21 C:20 14.19 -9.67 O 21.52 -8.30 O 19.10 -11.00 O 17.76 -14.55 C:14 17.91 -6.17 C:15 19.10 -6.87 C:2 11.72 -11.10 C:12 16.68 -8.30 C:11 15.34 -8.98 C:3 11.72 -12.47 C:1 12.92 -10.40 O 20.34 -6.17 O 17.91 -13.15 O 15.34 -14.55 C:15001 21.52 -6.87 C:7001 19.10 -12.39 C:6001 16.55 -15.25 C:13 16.68 -6.87 C:8 16.68 -11.10 C:9 15.34 -10.40 C:7 16.68 -12.47 C:6 15.34 -13.15 C:4 12.92 -13.15 C:10 14.19 -11.10 C:5 14.19 -12.47 33 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 31 7 -1 31 8 -2 32 9 -1 10 23 2 11 24 2 12 25 2 13 14 1 13 26 2 14 20 1 15 18 1 15 19 1 16 17 1 16 26 1 17 28 1 18 31 1 19 32 1 20 23 1 21 24 1 29 21 -2 22 25 1 30 22 -1 27 28 2 27 29 1 28 32 1 29 30 1 30 33 1 31 33 1 32 33 1', '33 34 H 14.19 -13.39 C 22.76 -6.17 C 20.34 -13.05 C 16.55 -16.65 C 15.34 -6.17 C 17.91 -10.40 C 11.97 -14.21 C 13.89 -14.21 C 14.19 -9.67 O 21.52 -8.30 O 19.10 -11.00 O 17.76 -14.55 C 17.91 -6.17 C 19.10 -6.87 C 11.72 -11.10 C 16.68 -8.30 C 15.34 -8.98 C 11.72 -12.47 C 12.92 -10.40 O 20.34 -6.17 O 17.91 -13.15 O 15.34 -14.55 C 21.52 -6.87 C 19.10 -12.39 C 16.55 -15.25 C 16.68 -6.87 C 16.68 -11.10 C 15.34 -10.40 C 16.68 -12.47 C 15.34 -13.15 C 12.92 -13.15 C 14.19 -11.10 C 14.19 -12.47 33 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 31 7 -1 31 8 -2 32 9 -1 10 23 2 11 24 2 12 25 2 13 14 1 13 26 2 14 20 1 15 18 1 15 19 1 16 17 1 16 26 1 17 28 1 18 31 1 19 32 1 20 23 1 21 24 1 29 21 -2 22 25 1 30 22 -1 27 28 2 27 29 1 28 32 1 29 30 1 30 33 1 31 33 1 32 33 1', '33 34 H 14.19 -13.39 C:21 22.76 -6.17 C:21 20.34 -13.05 C:22 16.55 -16.65 C:24 15.34 -6.17 C:17 17.91 -10.40 C:23 11.97 -14.21 C:33 13.89 -14.21 C:21 14.19 -9.67 O 21.52 -8.30 O 19.10 -11.00 O 17.76 -14.55 C:119 17.91 -6.17 C:62 19.10 -6.87 C:19 11.72 -11.10 C:31 16.68 -8.30 C:27 15.34 -8.98 C:43 11.72 -12.47 C:39 12.92 -10.40 O 20.34 -6.17 O 17.91 -13.15 O 15.34 -14.55 C:170 21.52 -6.87 C:170 19.10 -12.39 C:171 16.55 -15.25 C:144 16.68 -6.87 C:122 16.68 -11.10 C:148 15.34 -10.40 C:74 16.68 -12.47 C:70 15.34 -13.15 C:34 12.92 -13.15 C:39 14.19 -11.10 C:49 14.19 -12.47 33 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 31 7 -1 31 8 -2 32 9 -1 10 23 2 11 24 2 12 25 2 13 14 1 13 26 2 14 20 1 15 18 1 15 19 1 16 17 1 16 26 1 17 28 1 18 31 1 19 32 1 20 23 1 21 24 1 29 21 -2 22 25 1 30 22 -1 27 28 2 27 29 1 28 32 1 29 30 1 30 33 1 31 33 1 32 33 1', 'C26H40O6', 448.283, 'C+C', 'tt08_8815_4', 3689, '', '', '1', 47, NULL, NULL),
(14439, '', '16-Acetoxy-6β,7β-carbonyldioxy-14,15-dinor-labd-8-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13](=O)[CH2:16]O[C:16001]([CH3:16002])=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(=O)COC(C)=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:17])=[C:149]([CH2:21][CH2:39][C:203](=O)[CH2:68]O[C:171]([CH3:21])=O)[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '28 30 H 15.41 -15.63 C:16002 20.31 -4.78 C:17 19.10 -12.53 C:19 13.22 -16.42 C:18 15.13 -16.42 C:20 15.41 -11.83 O 21.52 -6.88 O 16.64 -8.28 O 19.03 -18.11 C:2 12.94 -13.25 C:12 17.89 -10.41 C:11 16.64 -11.11 C:3 12.94 -14.67 C:1 14.18 -12.53 C:16 19.10 -8.28 O 19.10 -6.88 O 18.90 -15.63 O 16.94 -16.75 C:16001 20.31 -6.18 C:13 17.89 -8.99 C:7001 18.34 -16.90 C:8 17.89 -13.25 C:9 16.64 -12.53 C:7 17.89 -14.67 C:6 16.64 -15.39 C:4 14.18 -15.39 C:10 15.41 -13.25 C:5 15.41 -14.67 28 1 -2 2 19 1 3 22 1 26 4 -1 26 5 -2 27 6 -1 7 19 2 8 20 2 9 21 2 10 13 1 10 14 1 11 12 1 11 20 1 12 23 1 13 26 1 14 27 1 15 16 1 15 20 1 16 19 1 17 21 1 24 17 -1 18 21 1 25 18 -1 22 23 2 22 24 1 23 27 1 24 25 1 25 28 1 26 28 1 27 28 1', '28 30 H 15.41 -15.63 C 20.31 -4.78 C 19.10 -12.53 C 13.22 -16.42 C 15.13 -16.42 C 15.41 -11.83 O 21.52 -6.88 O 16.64 -8.28 O 19.03 -18.11 C 12.94 -13.25 C 17.89 -10.41 C 16.64 -11.11 C 12.94 -14.67 C 14.18 -12.53 C 19.10 -8.28 O 19.10 -6.88 O 18.90 -15.63 O 16.94 -16.75 C 20.31 -6.18 C 17.89 -8.99 C 18.34 -16.90 C 17.89 -13.25 C 16.64 -12.53 C 17.89 -14.67 C 16.64 -15.39 C 14.18 -15.39 C 15.41 -13.25 C 15.41 -14.67 28 1 -2 2 19 1 3 22 1 26 4 -1 26 5 -2 27 6 -1 7 19 2 8 20 2 9 21 2 10 13 1 10 14 1 11 12 1 11 20 1 12 23 1 13 26 1 14 27 1 15 16 1 15 20 1 16 19 1 17 21 1 24 17 -1 18 21 1 25 18 -1 22 23 2 22 24 1 23 27 1 24 25 1 25 28 1 26 28 1 27 28 1', '28 30 H 15.41 -15.63 C:21 20.31 -4.78 C:17 19.10 -12.53 C:24 13.22 -16.42 C:33 15.13 -16.42 C:23 15.41 -11.83 O 21.52 -6.88 O 16.64 -8.28 O 19.03 -18.11 C:19 12.94 -13.25 C:39 17.89 -10.41 C:21 16.64 -11.11 C:43 12.94 -14.67 C:39 14.18 -12.53 C:68 19.10 -8.28 O 19.10 -6.88 O 18.90 -15.63 O 16.94 -16.75 C:171 20.31 -6.18 C:203 17.89 -8.99 C:155 18.34 -16.90 C:122 17.89 -13.25 C:149 16.64 -12.53 C:79 17.89 -14.67 C:75 16.64 -15.39 C:34 14.18 -15.39 C:39 15.41 -13.25 C:52 15.41 -14.67 28 1 -2 2 19 1 3 22 1 26 4 -1 26 5 -2 27 6 -1 7 19 2 8 20 2 9 21 2 10 13 1 10 14 1 11 12 1 11 20 1 12 23 1 13 26 1 14 27 1 15 16 1 15 20 1 16 19 1 17 21 1 24 17 -1 18 21 1 25 18 -1 22 23 2 22 24 1 23 27 1 24 25 1 25 28 1 26 28 1 27 28 1', 'C21H30O6', 378.229, 'C', 'tt08_10860_10', 3690, '', '', '1', 47, NULL, NULL),
(14440, '', '6β,7β-Carbonyldioxy-16-methoxy-14,15-dinor-labd-8-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13](=O)[CH2:16]O[CH3:16001])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(=O)COC)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:17])=[C:149]([CH2:21][CH2:39][C:208](=O)[CH2:78]O[CH3:60])[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '26 28 H 15.41 -13.83 C:16001 21.53 -6.50 C:17 19.11 -10.73 C:19 13.22 -14.63 C:18 15.13 -14.63 C:20 15.41 -10.03 O 16.65 -6.50 O 19.04 -16.32 C:2 12.94 -11.46 C:12 17.89 -8.61 C:11 16.65 -9.31 C:3 12.94 -12.88 C:1 14.18 -10.73 C:16 19.11 -6.50 O 20.33 -7.21 O 18.91 -13.83 O 16.95 -14.95 C:13 17.89 -7.21 C:7001 18.34 -15.10 C:8 17.89 -11.46 C:9 16.65 -10.73 C:7 17.89 -12.88 C:6 16.65 -13.59 C:4 14.18 -13.59 C:10 15.41 -11.46 C:5 15.41 -12.88 26 1 -2 2 15 1 3 20 1 24 4 -1 24 5 -2 25 6 -1 7 18 2 8 19 2 9 12 1 9 13 1 10 11 1 10 18 1 11 21 1 12 24 1 13 25 1 14 15 1 14 18 1 16 19 1 22 16 -1 17 19 1 23 17 -1 20 21 2 20 22 1 21 25 1 22 23 1 23 26 1 24 26 1 25 26 1', '26 28 H 15.41 -13.83 C 21.53 -6.50 C 19.11 -10.73 C 13.22 -14.63 C 15.13 -14.63 C 15.41 -10.03 O 16.65 -6.50 O 19.04 -16.32 C 12.94 -11.46 C 17.89 -8.61 C 16.65 -9.31 C 12.94 -12.88 C 14.18 -10.73 C 19.11 -6.50 O 20.33 -7.21 O 18.91 -13.83 O 16.95 -14.95 C 17.89 -7.21 C 18.34 -15.10 C 17.89 -11.46 C 16.65 -10.73 C 17.89 -12.88 C 16.65 -13.59 C 14.18 -13.59 C 15.41 -11.46 C 15.41 -12.88 26 1 -2 2 15 1 3 20 1 24 4 -1 24 5 -2 25 6 -1 7 18 2 8 19 2 9 12 1 9 13 1 10 11 1 10 18 1 11 21 1 12 24 1 13 25 1 14 15 1 14 18 1 16 19 1 22 16 -1 17 19 1 23 17 -1 20 21 2 20 22 1 21 25 1 22 23 1 23 26 1 24 26 1 25 26 1', '26 28 H 15.41 -13.83 C:60 21.53 -6.50 C:17 19.11 -10.73 C:24 13.22 -14.63 C:33 15.13 -14.63 C:23 15.41 -10.03 O 16.65 -6.50 O 19.04 -16.32 C:19 12.94 -11.46 C:39 17.89 -8.61 C:21 16.65 -9.31 C:43 12.94 -12.88 C:39 14.18 -10.73 C:78 19.11 -6.50 O 20.33 -7.21 O 18.91 -13.83 O 16.95 -14.95 C:208 17.89 -7.21 C:155 18.34 -15.10 C:122 17.89 -11.46 C:149 16.65 -10.73 C:79 17.89 -12.88 C:75 16.65 -13.59 C:34 14.18 -13.59 C:39 15.41 -11.46 C:52 15.41 -12.88 26 1 -2 2 15 1 3 20 1 24 4 -1 24 5 -2 25 6 -1 7 18 2 8 19 2 9 12 1 9 13 1 10 11 1 10 18 1 11 21 1 12 24 1 13 25 1 14 15 1 14 18 1 16 19 1 22 16 -1 17 19 1 23 17 -1 20 21 2 20 22 1 21 25 1 22 23 1 23 26 1 24 26 1 25 26 1', 'C20H30O5', 350.219, 'C', 'tt08_10860_11', 3690, '', '', '1', 47, NULL, NULL),
(14441, '', '6β,7β-Carbonyldioxy-16-hydroxy-14,15-dinor-labd-8-en-13-one', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13](=O)[CH2:16]O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(=O)CO)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:122]([CH3:17])=[C:148]([CH2:21][CH2:38][C:209](=O)[CH2:68]O)[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '25 27 H 16.64 -14.57 C:17 20.33 -11.46 C:19 14.46 -15.37 C:18 16.37 -15.37 C:20 16.64 -10.76 O 17.87 -7.22 O 20.26 -17.05 O 20.33 -5.82 C:16 20.33 -7.22 C:2 14.18 -12.19 C:12 19.12 -9.34 C:11 17.87 -10.04 C:3 14.18 -13.62 C:1 15.42 -11.46 O 20.13 -14.57 O 18.17 -15.69 C:13 19.12 -7.93 C:7001 19.57 -15.84 C:8 19.12 -12.19 C:9 17.87 -11.46 C:7 19.12 -13.62 C:6 17.87 -14.33 C:4 15.42 -14.33 C:10 16.64 -12.19 C:5 16.64 -13.62 25 1 -2 2 19 1 23 3 -1 23 4 -2 24 5 -1 6 17 2 7 18 2 8 9 1 9 17 1 10 13 1 10 14 1 11 12 1 11 17 1 12 20 1 13 23 1 14 24 1 15 18 1 21 15 -1 16 18 1 22 16 -1 19 20 2 19 21 1 20 24 1 21 22 1 22 25 1 23 25 1 24 25 1', '25 27 H 16.64 -14.57 C 20.33 -11.46 C 14.46 -15.37 C 16.37 -15.37 C 16.64 -10.76 O 17.87 -7.22 O 20.26 -17.05 O 20.33 -5.82 C 20.33 -7.22 C 14.18 -12.19 C 19.12 -9.34 C 17.87 -10.04 C 14.18 -13.62 C 15.42 -11.46 O 20.13 -14.57 O 18.17 -15.69 C 19.12 -7.93 C 19.57 -15.84 C 19.12 -12.19 C 17.87 -11.46 C 19.12 -13.62 C 17.87 -14.33 C 15.42 -14.33 C 16.64 -12.19 C 16.64 -13.62 25 1 -2 2 19 1 23 3 -1 23 4 -2 24 5 -1 6 17 2 7 18 2 8 9 1 9 17 1 10 13 1 10 14 1 11 12 1 11 17 1 12 20 1 13 23 1 14 24 1 15 18 1 21 15 -1 16 18 1 22 16 -1 19 20 2 19 21 1 20 24 1 21 22 1 22 25 1 23 25 1 24 25 1', '25 27 H 16.64 -14.57 C:17 20.33 -11.46 C:24 14.46 -15.37 C:33 16.37 -15.37 C:23 16.64 -10.76 O 17.87 -7.22 O 20.26 -17.05 O 20.33 -5.82 C:68 20.33 -7.22 C:19 14.18 -12.19 C:38 19.12 -9.34 C:21 17.87 -10.04 C:43 14.18 -13.62 C:39 15.42 -11.46 O 20.13 -14.57 O 18.17 -15.69 C:209 19.12 -7.93 C:155 19.57 -15.84 C:122 19.12 -12.19 C:148 17.87 -11.46 C:79 19.12 -13.62 C:75 17.87 -14.33 C:34 15.42 -14.33 C:39 16.64 -12.19 C:52 16.64 -13.62 25 1 -2 2 19 1 23 3 -1 23 4 -2 24 5 -1 6 17 2 7 18 2 8 9 1 9 17 1 10 13 1 10 14 1 11 12 1 11 17 1 12 20 1 13 23 1 14 24 1 15 18 1 21 15 -1 16 18 1 22 16 -1 19 20 2 19 21 1 20 24 1 21 22 1 22 25 1 23 25 1 24 25 1', 'C19H28O5', 336.208, 'C', 'tt08_10860_12', 3690, '', '', '1', 47, NULL, NULL),
(14442, '', '6β,7β-Carbonyldioxy-14,15-dinor-labd-8-en-13-oic acid', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13](=O)O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC(=O)O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:52]23[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:123]([CH3:16])=[C:148]([CH2:23][CH2:34][C:181](=O)O)[C@@:39]2([CH3:23])[CH2:39][CH2:19][CH2:43][C@:34]3([CH3:33])[CH3:24]', '24 26 H 16.64 -13.83 C:17 20.33 -10.73 C:18 16.36 -14.63 C:19 14.45 -14.63 C:20 16.64 -10.03 O 17.87 -6.49 O 20.26 -16.31 O 20.33 -6.49 C:2 14.17 -11.46 C:12 19.12 -8.61 C:11 17.87 -9.31 C:3 14.17 -12.88 C:1 15.41 -10.73 O 20.13 -13.83 O 18.17 -14.95 C:13 19.12 -7.20 C:7001 19.57 -15.10 C:8 19.12 -11.46 C:9 17.87 -10.73 C:7 19.12 -12.88 C:6 17.87 -13.59 C:4 15.41 -13.59 C:10 16.64 -11.46 C:5 16.64 -12.88 24 1 -2 2 18 1 22 3 -2 22 4 -1 23 5 -1 6 16 2 7 17 2 8 16 1 9 12 1 9 13 1 10 11 1 10 16 1 11 19 1 12 22 1 13 23 1 14 17 1 20 14 -1 15 17 1 21 15 -1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.64 -13.83 C 20.33 -10.73 C 16.36 -14.63 C 14.45 -14.63 C 16.64 -10.03 O 17.87 -6.49 O 20.26 -16.31 O 20.33 -6.49 C 14.17 -11.46 C 19.12 -8.61 C 17.87 -9.31 C 14.17 -12.88 C 15.41 -10.73 O 20.13 -13.83 O 18.17 -14.95 C 19.12 -7.20 C 19.57 -15.10 C 19.12 -11.46 C 17.87 -10.73 C 19.12 -12.88 C 17.87 -13.59 C 15.41 -13.59 C 16.64 -11.46 C 16.64 -12.88 24 1 -2 2 18 1 22 3 -2 22 4 -1 23 5 -1 6 16 2 7 17 2 8 16 1 9 12 1 9 13 1 10 11 1 10 16 1 11 19 1 12 22 1 13 23 1 14 17 1 20 14 -1 15 17 1 21 15 -1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.64 -13.83 C:16 20.33 -10.73 C:33 16.36 -14.63 C:24 14.45 -14.63 C:23 16.64 -10.03 O 17.87 -6.49 O 20.26 -16.31 O 20.33 -6.49 C:19 14.17 -11.46 C:34 19.12 -8.61 C:23 17.87 -9.31 C:43 14.17 -12.88 C:39 15.41 -10.73 O 20.13 -13.83 O 18.17 -14.95 C:181 19.12 -7.20 C:155 19.57 -15.10 C:123 19.12 -11.46 C:148 17.87 -10.73 C:79 19.12 -12.88 C:75 17.87 -13.59 C:34 15.41 -13.59 C:39 16.64 -11.46 C:52 16.64 -12.88 24 1 -2 2 18 1 22 3 -2 22 4 -1 23 5 -1 6 16 2 7 17 2 8 16 1 9 12 1 9 13 1 10 11 1 10 16 1 11 19 1 12 22 1 13 23 1 14 17 1 20 14 -1 15 17 1 21 15 -1 18 19 2 18 20 1 19 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C18H26O5', 322.198, 'C', 'tt08_10860_13', 3690, '', '', '1', 47, NULL, NULL),
(14443, '', '6β,7β-Carbonyldioxy-labd-8,13-dien-16,15-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][C:13]2=[CH:14][C:15](=O)O[CH2:16]2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@@H]1OC(=O)O[C@@H]1C(C)=C(CCC2=CC(=O)OC2)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:52]34[C@@H:75]1O[C:155](=O)O[C@@H:79]1[C:123]([CH3:17])=[C:148]([CH2:26][CH2:29][C:169]2=[CH:116][C:174](=O)O[CH2:73]2)[C@@:39]3([CH3:23])[CH2:39][CH2:19][CH2:43][C@@:34]4([CH3:24])[CH3:33]', '27 30 H 16.51 -15.15 C:17 20.19 -12.05 C:19 14.32 -15.95 C:18 16.23 -15.95 C:20 16.51 -11.34 O 20.46 -5.19 O 20.13 -17.64 C:14 20.13 -7.68 C:2 14.04 -12.77 C:12 18.97 -9.93 C:11 17.74 -10.64 C:16 17.84 -7.68 C:3 14.04 -14.19 C:1 15.28 -12.05 O 18.27 -6.34 O 20.00 -15.15 O 18.05 -16.27 C:15 19.66 -6.34 C:7001 19.44 -16.41 C:13 18.97 -8.51 C:8 18.97 -12.77 C:9 17.74 -12.05 C:7 18.97 -14.19 C:6 17.74 -14.91 C:4 15.28 -14.91 C:10 16.51 -12.77 C:5 16.51 -14.19 27 1 -2 2 21 1 25 3 -1 25 4 -2 26 5 -1 6 18 2 7 19 2 8 18 1 8 20 2 9 13 1 9 14 1 10 11 1 10 20 1 11 22 1 12 15 1 12 20 1 13 25 1 14 26 1 15 18 1 16 19 1 23 16 -1 17 19 1 24 17 -1 21 22 2 21 23 1 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', '27 30 H 16.51 -15.15 C 20.19 -12.05 C 14.32 -15.95 C 16.23 -15.95 C 16.51 -11.34 O 20.46 -5.19 O 20.13 -17.64 C 20.13 -7.68 C 14.04 -12.77 C 18.97 -9.93 C 17.74 -10.64 C 17.84 -7.68 C 14.04 -14.19 C 15.28 -12.05 O 18.27 -6.34 O 20.00 -15.15 O 18.05 -16.27 C 19.66 -6.34 C 19.44 -16.41 C 18.97 -8.51 C 18.97 -12.77 C 17.74 -12.05 C 18.97 -14.19 C 17.74 -14.91 C 15.28 -14.91 C 16.51 -12.77 C 16.51 -14.19 27 1 -2 2 21 1 25 3 -1 25 4 -2 26 5 -1 6 18 2 7 19 2 8 18 1 8 20 2 9 13 1 9 14 1 10 11 1 10 20 1 11 22 1 12 15 1 12 20 1 13 25 1 14 26 1 15 18 1 16 19 1 23 16 -1 17 19 1 24 17 -1 21 22 2 21 23 1 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', '27 30 H 16.51 -15.15 C:17 20.19 -12.05 C:24 14.32 -15.95 C:33 16.23 -15.95 C:23 16.51 -11.34 O 20.46 -5.19 O 20.13 -17.64 C:116 20.13 -7.68 C:19 14.04 -12.77 C:29 18.97 -9.93 C:26 17.74 -10.64 C:73 17.84 -7.68 C:43 14.04 -14.19 C:39 15.28 -12.05 O 18.27 -6.34 O 20.00 -15.15 O 18.05 -16.27 C:174 19.66 -6.34 C:155 19.44 -16.41 C:169 18.97 -8.51 C:123 18.97 -12.77 C:148 17.74 -12.05 C:79 18.97 -14.19 C:75 17.74 -14.91 C:34 15.28 -14.91 C:39 16.51 -12.77 C:52 16.51 -14.19 27 1 -2 2 21 1 25 3 -1 25 4 -2 26 5 -1 6 18 2 7 19 2 8 18 1 8 20 2 9 13 1 9 14 1 10 11 1 10 20 1 11 22 1 12 15 1 12 20 1 13 25 1 14 26 1 15 18 1 16 19 1 23 16 -1 17 19 1 24 17 -1 21 22 2 21 23 1 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', 'C21H28O5', 360.23, 'C', 'tt08_10860_8', 3690, '', '', '1', 50, NULL, NULL),
(14444, '', '15,16-Epoxy-labd-8,13(16),14-trien-6β,7β-diol', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@H:6](O)[C@H:7](O)[C:8]([CH3:17])=[C:9]([CH2:11][CH2:12][c:13]1[cH:14][cH:15]o[cH:16]1)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@H](O)[C@H](O)C(C)=C(CCc1ccoc1)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:53]23[C@H:68](O)[C@H:74](O)[C:126]([CH3:15])=[C:144]([CH2:25][CH2:28][c:126]1[cH:111][cH:143]o[cH:139]1)[C@@:40]2([CH3:22])[CH2:40][CH2:19][CH2:43][C@:34]3([CH3:34])[CH3:24]', '24 26 H 16.62 -15.26 C:17 20.29 -12.16 C:18 16.34 -16.06 C:19 14.43 -16.06 C:20 16.62 -11.46 O 20.29 -15.02 O 17.85 -16.42 C:15 19.77 -6.45 C:14 20.24 -7.79 C:16 17.95 -7.79 C:2 14.15 -12.88 C:11 17.85 -10.75 C:12 19.08 -10.04 C:3 14.15 -14.30 C:1 15.39 -12.16 O 18.38 -6.45 C:8 19.08 -12.88 C:9 17.85 -12.16 C:13 19.08 -8.62 C:7 19.08 -14.30 C:6 17.85 -15.02 C:4 15.39 -15.02 C:10 16.62 -12.88 C:5 16.62 -14.30 24 1 -2 2 17 1 22 3 -2 22 4 -1 23 5 -1 20 6 -1 21 7 -1 8 9 2 8 16 1 9 19 1 10 16 1 10 19 2 11 14 1 11 15 1 12 13 1 12 18 1 13 19 1 14 22 1 15 23 1 17 18 2 17 20 1 18 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.62 -15.26 C 20.29 -12.16 C 16.34 -16.06 C 14.43 -16.06 C 16.62 -11.46 O 20.29 -15.02 O 17.85 -16.42 C 19.77 -6.45 C 20.24 -7.79 C 17.95 -7.79 C 14.15 -12.88 C 17.85 -10.75 C 19.08 -10.04 C 14.15 -14.30 C 15.39 -12.16 O 18.38 -6.45 C 19.08 -12.88 C 17.85 -12.16 C 19.08 -8.62 C 19.08 -14.30 C 17.85 -15.02 C 15.39 -15.02 C 16.62 -12.88 C 16.62 -14.30 24 1 -2 2 17 1 22 3 -2 22 4 -1 23 5 -1 20 6 -1 21 7 -1 8 9 2 8 16 1 9 19 1 10 16 1 10 19 2 11 14 1 11 15 1 12 13 1 12 18 1 13 19 1 14 22 1 15 23 1 17 18 2 17 20 1 18 23 1 20 21 1 21 24 1 22 24 1 23 24 1', '24 26 H 16.62 -15.26 C:15 20.29 -12.16 C:34 16.34 -16.06 C:24 14.43 -16.06 C:22 16.62 -11.46 O 20.29 -15.02 O 17.85 -16.42 C:143 19.77 -6.45 C:111 20.24 -7.79 C:139 17.95 -7.79 C:19 14.15 -12.88 C:25 17.85 -10.75 C:28 19.08 -10.04 C:43 14.15 -14.30 C:40 15.39 -12.16 O 18.38 -6.45 C:126 19.08 -12.88 C:144 17.85 -12.16 C:126 19.08 -8.62 C:74 19.08 -14.30 C:68 17.85 -15.02 C:34 15.39 -15.02 C:40 16.62 -12.88 C:53 16.62 -14.30 24 1 -2 2 17 1 22 3 -2 22 4 -1 23 5 -1 20 6 -1 21 7 -1 8 9 2 8 16 1 9 19 1 10 16 1 10 19 2 11 14 1 11 15 1 12 13 1 12 18 1 13 19 1 14 22 1 15 23 1 17 18 2 17 20 1 18 23 1 20 21 1 21 24 1 22 24 1 23 24 1', 'C20H30O3', 318.22, 'C', 'tt08_10860_14', 3690, '', '', '1', 50, NULL, NULL),
(14445, '', '6β,7β-Carbonyldioxy-8α,9α-epoxy-labd-13-en-16,15-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]45[C@@H:6]1O[C:7001](=O)O[C@@H:7]1[C@@:8]2([CH3:17])O[C@@:9]2([CH2:11][CH2:12][C:13]3=[CH:14][C:15](=O)O[CH2:16]3)[C@@:10]4([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]5([CH3:19])[CH3:18]', '[H][C@@]45[C@@H]1OC(=O)O[C@@H]1[C@@]2(C)O[C@@]2(CCC3=CC(=O)OC3)[C@@]4(C)CCC[C@@]5(C)C', '[H][C@@:43]45[C@@H:74]1O[C:154](=O)O[C@@H:76]1[C@@:61]2([CH3:17])O[C@@:71]2([CH2:24][CH2:26][C:169]3=[CH:116][C:174](=O)O[CH2:73]3)[C@@:38]4([CH3:20])[CH2:37][CH2:18][CH2:43][C@@:34]5([CH3:24])[CH3:33]', '28 32 H 16.51 -15.15 C:19 14.32 -15.95 C:18 16.23 -15.95 C:17 20.18 -12.05 C:20 16.51 -11.34 O 20.45 -5.19 O 20.12 -17.64 C:14 20.12 -7.68 C:2 14.04 -12.77 C:12 18.97 -9.93 C:16 17.84 -7.68 C:3 14.04 -14.19 C:1 15.28 -12.05 C:11 17.74 -10.64 O 18.27 -6.34 O 19.99 -15.15 O 18.05 -16.27 O 18.97 -11.34 C:15 19.65 -6.34 C:7001 19.43 -16.41 C:13 18.97 -8.51 C:7 18.97 -14.19 C:6 17.74 -14.91 C:4 15.28 -14.91 C:8 18.97 -12.77 C:10 16.51 -12.77 C:5 16.51 -14.19 C:9 17.74 -12.05 27 1 -2 24 2 -1 24 3 -2 4 25 1 26 5 -1 6 19 2 7 20 2 8 19 1 8 21 2 9 12 1 9 13 1 10 14 1 10 21 1 11 15 1 11 21 1 12 24 1 13 26 1 28 14 -1 15 19 1 16 20 1 22 16 -1 17 20 1 23 17 -1 25 18 -2 18 28 1 22 23 1 22 25 1 23 27 1 24 27 1 25 28 1 26 27 1 26 28 1', '28 32 H 16.51 -15.15 C 14.32 -15.95 C 16.23 -15.95 C 20.18 -12.05 C 16.51 -11.34 O 20.45 -5.19 O 20.12 -17.64 C 20.12 -7.68 C 14.04 -12.77 C 18.97 -9.93 C 17.84 -7.68 C 14.04 -14.19 C 15.28 -12.05 C 17.74 -10.64 O 18.27 -6.34 O 19.99 -15.15 O 18.05 -16.27 O 18.97 -11.34 C 19.65 -6.34 C 19.43 -16.41 C 18.97 -8.51 C 18.97 -14.19 C 17.74 -14.91 C 15.28 -14.91 C 18.97 -12.77 C 16.51 -12.77 C 16.51 -14.19 C 17.74 -12.05 27 1 -2 24 2 -1 24 3 -2 4 25 1 26 5 -1 6 19 2 7 20 2 8 19 1 8 21 2 9 12 1 9 13 1 10 14 1 10 21 1 11 15 1 11 21 1 12 24 1 13 26 1 28 14 -1 15 19 1 16 20 1 22 16 -1 17 20 1 23 17 -1 25 18 -2 18 28 1 22 23 1 22 25 1 23 27 1 24 27 1 25 28 1 26 27 1 26 28 1', '28 32 H 16.51 -15.15 C:24 14.32 -15.95 C:33 16.23 -15.95 C:17 20.18 -12.05 C:20 16.51 -11.34 O 20.45 -5.19 O 20.12 -17.64 C:116 20.12 -7.68 C:18 14.04 -12.77 C:26 18.97 -9.93 C:73 17.84 -7.68 C:43 14.04 -14.19 C:37 15.28 -12.05 C:24 17.74 -10.64 O 18.27 -6.34 O 19.99 -15.15 O 18.05 -16.27 O 18.97 -11.34 C:174 19.65 -6.34 C:154 19.43 -16.41 C:169 18.97 -8.51 C:76 18.97 -14.19 C:74 17.74 -14.91 C:34 15.28 -14.91 C:61 18.97 -12.77 C:38 16.51 -12.77 C:43 16.51 -14.19 C:71 17.74 -12.05 27 1 -2 24 2 -1 24 3 -2 4 25 1 26 5 -1 6 19 2 7 20 2 8 19 1 8 21 2 9 12 1 9 13 1 10 14 1 10 21 1 11 15 1 11 21 1 12 24 1 13 26 1 28 14 -1 15 19 1 16 20 1 22 16 -1 17 20 1 23 17 -1 25 18 -2 18 28 1 22 23 1 22 25 1 23 27 1 24 27 1 25 28 1 26 27 1 26 28 1', 'C21H28O6', 376.229, 'C', 'tt08_10860_16', 3690, '', '', '1', 50, NULL, NULL);
