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
(15034, 'Umbellacin A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH3:16][C:14]([CH3:15])(O)[CH:13]=[CH:12][CH:11]=[C:10]([CH:17]=O)[C@H:3]2[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O)([CH2:9][CH2:8][C@@H:7]1O)[C@@H:2]2[CH:18]=O', 'CC(C)(O)C=CC=C(C=O)[C@H]2CC[C@@]1(C)C[C@](O)(CC[C@@H]1O)[C@@H]2C=O', '[CH3:30][C:71]([CH3:30])(O)[CH:153]=[CH:121][CH:151]=[C:134]([CH:195]=O)[C@H:35]2[CH2:30][CH2:29][C@@:37]1([CH3:30])[CH2:44][C@:75](O)([CH2:39][CH2:28][C@@H:74]1O)[C@@H:59]2[CH:207]=O', '25 26 C:16 17.68 -6.61 C:15 18.88 -8.69 C:20 20.74 -11.31 O 12.89 -12.05 O 14.04 -14.04 O 21.56 -13.41 O 18.88 -7.32 O 16.57 -16.23 C:17 14.09 -12.75 C:12 16.39 -10.07 C:18 15.24 -14.74 C:11 15.24 -10.75 C:13 16.39 -8.69 C:8 19.72 -14.67 C:4 17.26 -11.73 C:5 18.57 -11.50 C:9 18.57 -15.33 C:19 18.22 -13.22 C:10 15.24 -12.05 C:7 20.18 -13.41 C:2 16.39 -14.04 C:3 16.39 -12.75 C:14 17.68 -7.99 C:6 19.72 -12.16 C:1 17.26 -15.09 1 23 1 2 23 1 24 3 -1 4 9 2 5 11 2 20 6 -1 7 23 1 25 8 -1 9 19 1 10 12 1 10 13 2 21 11 -2 12 19 2 13 23 1 14 17 1 14 20 1 15 16 1 15 22 1 16 24 1 17 25 1 18 24 1 18 25 1 22 19 -1 20 24 1 21 22 1 21 25 1', '25 26 C 17.68 -6.61 C 18.88 -8.69 C 20.74 -11.31 O 12.89 -12.05 O 14.04 -14.04 O 21.56 -13.41 O 18.88 -7.32 O 16.57 -16.23 C 14.09 -12.75 C 16.39 -10.07 C 15.24 -14.74 C 15.24 -10.75 C 16.39 -8.69 C 19.72 -14.67 C 17.26 -11.73 C 18.57 -11.50 C 18.57 -15.33 C 18.22 -13.22 C 15.24 -12.05 C 20.18 -13.41 C 16.39 -14.04 C 16.39 -12.75 C 17.68 -7.99 C 19.72 -12.16 C 17.26 -15.09 1 23 1 2 23 1 24 3 -1 4 9 2 5 11 2 20 6 -1 7 23 1 25 8 -1 9 19 1 10 12 1 10 13 2 21 11 -2 12 19 2 13 23 1 14 17 1 14 20 1 15 16 1 15 22 1 16 24 1 17 25 1 18 24 1 18 25 1 22 19 -1 20 24 1 21 22 1 21 25 1', '25 26 C:30 17.68 -6.61 C:30 18.88 -8.69 C:30 20.74 -11.31 O 12.89 -12.05 O 14.04 -14.04 O 21.56 -13.41 O 18.88 -7.32 O 16.57 -16.23 C:195 14.09 -12.75 C:121 16.39 -10.07 C:207 15.24 -14.74 C:151 15.24 -10.75 C:153 16.39 -8.69 C:28 19.72 -14.67 C:30 17.26 -11.73 C:29 18.57 -11.50 C:39 18.57 -15.33 C:44 18.22 -13.22 C:134 15.24 -12.05 C:74 20.18 -13.41 C:59 16.39 -14.04 C:35 16.39 -12.75 C:71 17.68 -7.99 C:37 19.72 -12.16 C:75 17.26 -15.09 1 23 1 2 23 1 24 3 -1 4 9 2 5 11 2 20 6 -1 7 23 1 25 8 -1 9 19 1 10 12 1 10 13 2 21 11 -2 12 19 2 13 23 1 14 17 1 14 20 1 15 16 1 15 22 1 16 24 1 17 25 1 18 24 1 18 25 1 22 19 -1 20 24 1 21 22 1 21 25 1', 'C20H30O5', 350.211, 'C', 'np06_338_1', 3809, '', '', '1', 1, NULL, NULL),
(15035, 'Umbellacin B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:16]=[C:14]([CH3:15])[CH:13](O)[CH2:12][CH:11]=[C:10]([CH2:17]O[C:17001]([CH3:17002])=O)[C@H:3]2[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O)([CH2:9][CH2:8][C@@H:7]1O)[C@@H:2]2[C:18](=O)O[CH3:18001]', 'C=C(C)C(O)CC=C(COC(C)=O)[C@H]2CC[C@@]1(C)C[C@](O)(CC[C@@H]1O)[C@@H]2C(=O)OC', '[CH2:111]=[C:147]([CH3:19])[CH:74](O)[CH2:33][CH:127]=[C:139]([CH2:65]O[C:171]([CH3:21])=O)[C@H:40]2[CH2:30][CH2:28][C@@:37]1([CH3:30])[CH2:44][C@:74](O)([CH2:39][CH2:29][C@@H:73]1O)[C@@H:61]2[C:174](=O)O[CH3:52]', '30 31 C:16 18.88 -6.64 C:18001 13.97 -14.67 C:15 20.08 -8.72 C:17002 11.68 -12.07 C:20 21.95 -11.34 O 12.88 -14.17 O 16.44 -16.16 O 16.35 -8.08 O 22.77 -13.44 O 17.77 -16.25 C:11 16.44 -10.78 C:12 17.59 -10.10 C:8 20.92 -14.67 C:4 18.46 -11.76 C:17 15.30 -12.77 C:5 19.77 -11.53 C:9 19.77 -15.36 C:19 19.42 -13.25 O 15.24 -14.07 O 14.10 -12.07 C:14 18.88 -8.08 C:17001 12.88 -12.77 C:18 16.44 -14.77 C:10 16.44 -12.07 C:13 17.59 -8.72 C:7 21.39 -13.44 C:3 17.59 -12.77 C:2 17.59 -14.07 C:6 20.92 -12.19 C:1 18.46 -15.12 1 21 2 2 19 1 3 21 1 4 22 1 29 5 -1 6 22 2 7 23 2 8 25 1 26 9 -1 30 10 -1 11 12 1 11 24 2 12 25 1 13 17 1 13 26 1 14 16 1 14 27 1 15 20 1 15 24 1 16 29 1 17 30 1 18 29 1 18 30 1 19 23 1 20 22 1 21 25 1 28 23 -2 27 24 -1 26 29 1 27 28 1 28 30 1', '30 31 C 18.88 -6.64 C 13.97 -14.67 C 20.08 -8.72 C 11.68 -12.07 C 21.95 -11.34 O 12.88 -14.17 O 16.44 -16.16 O 16.35 -8.08 O 22.77 -13.44 O 17.77 -16.25 C 16.44 -10.78 C 17.59 -10.10 C 20.92 -14.67 C 18.46 -11.76 C 15.30 -12.77 C 19.77 -11.53 C 19.77 -15.36 C 19.42 -13.25 O 15.24 -14.07 O 14.10 -12.07 C 18.88 -8.08 C 12.88 -12.77 C 16.44 -14.77 C 16.44 -12.07 C 17.59 -8.72 C 21.39 -13.44 C 17.59 -12.77 C 17.59 -14.07 C 20.92 -12.19 C 18.46 -15.12 1 21 2 2 19 1 3 21 1 4 22 1 29 5 -1 6 22 2 7 23 2 8 25 1 26 9 -1 30 10 -1 11 12 1 11 24 2 12 25 1 13 17 1 13 26 1 14 16 1 14 27 1 15 20 1 15 24 1 16 29 1 17 30 1 18 29 1 18 30 1 19 23 1 20 22 1 21 25 1 28 23 -2 27 24 -1 26 29 1 27 28 1 28 30 1', '30 31 C:111 18.88 -6.64 C:52 13.97 -14.67 C:19 20.08 -8.72 C:21 11.68 -12.07 C:30 21.95 -11.34 O 12.88 -14.17 O 16.44 -16.16 O 16.35 -8.08 O 22.77 -13.44 O 17.77 -16.25 C:127 16.44 -10.78 C:33 17.59 -10.10 C:29 20.92 -14.67 C:30 18.46 -11.76 C:65 15.30 -12.77 C:28 19.77 -11.53 C:39 19.77 -15.36 C:44 19.42 -13.25 O 15.24 -14.07 O 14.10 -12.07 C:147 18.88 -8.08 C:171 12.88 -12.77 C:174 16.44 -14.77 C:139 16.44 -12.07 C:74 17.59 -8.72 C:73 21.39 -13.44 C:40 17.59 -12.77 C:61 17.59 -14.07 C:37 20.92 -12.19 C:74 18.46 -15.12 1 21 2 2 19 1 3 21 1 4 22 1 29 5 -1 6 22 2 7 23 2 8 25 1 26 9 -1 30 10 -1 11 12 1 11 24 2 12 25 1 13 17 1 13 26 1 14 16 1 14 27 1 15 20 1 15 24 1 16 29 1 17 30 1 18 29 1 18 30 1 19 23 1 20 22 1 21 25 1 28 23 -2 27 24 -1 26 29 1 27 28 1 28 30 1', 'C23H36O7', 424.242, 'C', 'np06_338_2', 3809, '', '11', '1', 1, NULL, NULL),
(15036, 'Umbellacin C', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C:1](=[CH:9][CH2:8][C@@H:7]1O)[C@:2]2([H])[C:18](=O)O[CH2:17][C:10]3=[CH:11][CH:12]=[CH:13][C:14]([CH3:16])([CH3:15])O', '[H][C@]23CC[C@@]1(C)CC(=CC[C@@H]1O)[C@]2([H])C(=O)OCC3=CC=CC(C)(C)O', '[H][C@:51]23[CH2:30][CH2:40][C@@:41]1([CH3:23])[CH2:40][C:137](=[CH:124][CH2:35][C@@H:75]1O)[C@:51]2([H])[C:172](=O)O[CH2:73][C:134]3=[CH:129][CH:121]=[CH:145][C:71]([CH3:30])([CH3:30])O', '26 28 H 15.80 -11.77 H 15.80 -15.29 C:16 17.02 -6.58 C:15 18.23 -8.67 C:20 20.25 -11.35 O 14.62 -16.24 O 21.02 -13.53 O 18.23 -7.27 C:12 15.80 -10.06 C:11 14.62 -10.77 C:9 18.03 -15.49 C:13 15.80 -8.67 C:8 19.22 -14.81 C:17 13.45 -12.82 C:5 18.03 -11.55 C:4 16.70 -11.77 C:19 17.55 -13.32 O 13.45 -14.21 C:18 14.62 -14.88 C:10 14.62 -12.14 C:1 16.70 -15.29 C:7 19.67 -13.53 C:14 17.02 -7.97 C:6 19.22 -12.23 C:3 15.80 -12.82 C:2 15.80 -14.21 25 1 -2 26 2 -1 3 23 1 4 23 1 24 5 -1 6 19 2 22 7 -1 8 23 1 9 10 1 9 12 2 10 20 2 11 13 1 11 21 2 12 23 1 13 22 1 14 18 1 14 20 1 15 16 1 15 24 1 16 25 1 17 21 1 17 24 1 18 19 1 19 26 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 28 H 15.80 -11.77 H 15.80 -15.29 C 17.02 -6.58 C 18.23 -8.67 C 20.25 -11.35 O 14.62 -16.24 O 21.02 -13.53 O 18.23 -7.27 C 15.80 -10.06 C 14.62 -10.77 C 18.03 -15.49 C 15.80 -8.67 C 19.22 -14.81 C 13.45 -12.82 C 18.03 -11.55 C 16.70 -11.77 C 17.55 -13.32 O 13.45 -14.21 C 14.62 -14.88 C 14.62 -12.14 C 16.70 -15.29 C 19.67 -13.53 C 17.02 -7.97 C 19.22 -12.23 C 15.80 -12.82 C 15.80 -14.21 25 1 -2 26 2 -1 3 23 1 4 23 1 24 5 -1 6 19 2 22 7 -1 8 23 1 9 10 1 9 12 2 10 20 2 11 13 1 11 21 2 12 23 1 13 22 1 14 18 1 14 20 1 15 16 1 15 24 1 16 25 1 17 21 1 17 24 1 18 19 1 19 26 1 20 25 1 21 26 1 22 24 1 25 26 1', '26 28 H 15.80 -11.77 H 15.80 -15.29 C:30 17.02 -6.58 C:30 18.23 -8.67 C:23 20.25 -11.35 O 14.62 -16.24 O 21.02 -13.53 O 18.23 -7.27 C:121 15.80 -10.06 C:129 14.62 -10.77 C:124 18.03 -15.49 C:145 15.80 -8.67 C:35 19.22 -14.81 C:73 13.45 -12.82 C:40 18.03 -11.55 C:30 16.70 -11.77 C:40 17.55 -13.32 O 13.45 -14.21 C:172 14.62 -14.88 C:134 14.62 -12.14 C:137 16.70 -15.29 C:75 19.67 -13.53 C:71 17.02 -7.97 C:41 19.22 -12.23 C:51 15.80 -12.82 C:51 15.80 -14.21 25 1 -2 26 2 -1 3 23 1 4 23 1 24 5 -1 6 19 2 22 7 -1 8 23 1 9 10 1 9 12 2 10 20 2 11 13 1 11 21 2 12 23 1 13 22 1 14 18 1 14 20 1 15 16 1 15 24 1 16 25 1 17 21 1 17 24 1 18 19 1 19 26 1 20 25 1 21 26 1 22 24 1 25 26 1', 'C20H28O4', 332.227, 'C', 'np06_338_3', 3809, '', '11', '1', 1, NULL, NULL),
(15037, 'Umbellacin D', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@@:7]12[CH2:8][CH2:9][C@@:1]3([CH2:19]O1)[C@H:2]([C:18](=O)O[CH3:18001])[C@@H:3]([C:10](=[CH:11][CH2:12][CH:13](O)[C:14]([CH3:15])([CH3:16])O)[CH2:17]O[C:17001]([CH3:17002])=O)[CH2:4][CH2:5][C@:6]23[CH3:20]', '[H][C@@]12CC[C@@]3(CO1)[C@H](C(=O)OC)[C@@H](C(=CCC(O)C(C)(C)O)COC(C)=O)CC[C@]23C', '[H][C@@:83]12[CH2:28][CH2:28][C@@:48]3([CH2:76]O1)[C@H:43]([C:173](=O)O[CH3:52])[C@@H:35]([C:137](=[CH:132][CH2:30][CH:78](O)[C:73]([CH3:24])([CH3:27])O)[CH2:67]O[C:171]([CH3:21])=O)[CH2:26][CH2:29][C@:49]23[CH3:15]', '31 33 H 22.43 -15.58 C:18001 14.51 -14.98 C:17002 12.11 -12.06 C:15 20.56 -8.53 C:16 19.38 -6.43 C:20 20.57 -15.62 O 13.29 -14.15 O 16.91 -16.30 O 16.96 -7.85 O 20.56 -7.13 C:11 16.91 -10.65 C:12 18.16 -9.94 C:4 19.38 -12.11 C:17 15.68 -12.80 C:5 20.56 -12.80 C:8 21.15 -13.43 C:9 19.67 -13.43 C:19 19.67 -16.28 O 15.68 -14.25 O 14.51 -12.09 O 21.03 -16.42 C:17001 13.29 -12.77 C:18 16.91 -14.92 C:10 16.91 -12.11 C:13 18.16 -8.53 C:3 18.16 -12.80 C:2 18.16 -14.25 C:14 19.38 -7.82 C:7 21.59 -15.14 C:6 20.56 -14.24 C:1 19.38 -14.92 29 1 -1 2 19 1 3 22 1 4 28 1 5 28 1 30 6 -1 7 22 2 8 23 2 9 25 1 10 28 1 11 12 1 11 24 2 12 25 1 13 15 1 13 26 1 14 20 1 14 24 1 15 30 1 16 17 1 16 29 1 17 31 1 18 21 1 31 18 -1 19 23 1 20 22 1 21 29 1 27 23 -2 26 24 -1 25 28 1 26 27 1 27 31 1 29 30 1 30 31 1', '31 33 H 22.43 -15.58 C 14.51 -14.98 C 12.11 -12.06 C 20.56 -8.53 C 19.38 -6.43 C 20.57 -15.62 O 13.29 -14.15 O 16.91 -16.30 O 16.96 -7.85 O 20.56 -7.13 C 16.91 -10.65 C 18.16 -9.94 C 19.38 -12.11 C 15.68 -12.80 C 20.56 -12.80 C 21.15 -13.43 C 19.67 -13.43 C 19.67 -16.28 O 15.68 -14.25 O 14.51 -12.09 O 21.03 -16.42 C 13.29 -12.77 C 16.91 -14.92 C 16.91 -12.11 C 18.16 -8.53 C 18.16 -12.80 C 18.16 -14.25 C 19.38 -7.82 C 21.59 -15.14 C 20.56 -14.24 C 19.38 -14.92 29 1 -1 2 19 1 3 22 1 4 28 1 5 28 1 30 6 -1 7 22 2 8 23 2 9 25 1 10 28 1 11 12 1 11 24 2 12 25 1 13 15 1 13 26 1 14 20 1 14 24 1 15 30 1 16 17 1 16 29 1 17 31 1 18 21 1 31 18 -1 19 23 1 20 22 1 21 29 1 27 23 -2 26 24 -1 25 28 1 26 27 1 27 31 1 29 30 1 30 31 1', '31 33 H 22.43 -15.58 C:52 14.51 -14.98 C:21 12.11 -12.06 C:24 20.56 -8.53 C:27 19.38 -6.43 C:15 20.57 -15.62 O 13.29 -14.15 O 16.91 -16.30 O 16.96 -7.85 O 20.56 -7.13 C:132 16.91 -10.65 C:30 18.16 -9.94 C:26 19.38 -12.11 C:67 15.68 -12.80 C:29 20.56 -12.80 C:28 21.15 -13.43 C:28 19.67 -13.43 C:76 19.67 -16.28 O 15.68 -14.25 O 14.51 -12.09 O 21.03 -16.42 C:171 13.29 -12.77 C:173 16.91 -14.92 C:137 16.91 -12.11 C:78 18.16 -8.53 C:35 18.16 -12.80 C:43 18.16 -14.25 C:73 19.38 -7.82 C:83 21.59 -15.14 C:49 20.56 -14.24 C:48 19.38 -14.92 29 1 -1 2 19 1 3 22 1 4 28 1 5 28 1 30 6 -1 7 22 2 8 23 2 9 25 1 10 28 1 11 12 1 11 24 2 12 25 1 13 15 1 13 26 1 14 20 1 14 24 1 15 30 1 16 17 1 16 29 1 17 31 1 18 21 1 31 18 -1 19 23 1 20 22 1 21 29 1 27 23 -2 26 24 -1 25 28 1 26 27 1 27 31 1 29 30 1 30 31 1', 'C23H36O7', 424.25, 'C', 'np06_338_4', 3809, '', '11', '1', 1, NULL, NULL),
(15038, 'Umbellacin E', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH3:18001]O[C:18](=O)[C@H:2]1[C:1]2=[CH:9][CH2:8][C@H:7](O)[C@@:6]([CH3:20])([CH2:5][CH2:4][C@@H:3]1[C:10](=[CH:11][CH2:12][CH:13](O)[C:14]([CH3:15])([CH3:16])O)[CH2:17]O[C:17001]([CH3:17002])=O)[CH2:19]2', 'COC(=O)[C@H]1C2=CC[C@H](O)[C@@](C)(CC[C@@H]1C(=CCC(O)C(C)(C)O)COC(C)=O)C2', '[CH3:52]O[C:173](=O)[C@H:53]1[C:138]2=[CH:120][CH2:34][C@H:74](O)[C@@:40]([CH3:23])([CH2:39][CH2:28][C@@H:48]1[C:138](=[CH:130][CH2:30][CH:78](O)[C:73]([CH3:24])([CH3:26])O)[CH2:65]O[C:171]([CH3:21])=O)[CH2:38]2', '30 31 C:18001 13.99 -14.75 C:17002 11.69 -12.14 C:15 20.05 -8.69 C:16 18.83 -6.62 C:20 22.01 -11.40 O 12.90 -14.24 O 16.46 -16.23 O 16.54 -8.17 O 22.82 -13.51 O 20.05 -7.29 C:11 16.46 -10.83 C:9 19.81 -15.43 C:12 17.62 -10.14 C:8 20.97 -14.75 C:4 18.50 -11.82 C:17 15.32 -12.84 C:5 19.81 -11.59 C:19 19.45 -13.32 O 15.26 -14.15 O 14.11 -12.14 C:17001 12.90 -12.84 C:18 16.46 -14.85 C:10 16.46 -12.14 C:1 18.50 -15.20 C:13 17.62 -8.75 C:7 21.44 -13.51 C:3 17.62 -12.84 C:2 17.62 -14.15 C:14 18.83 -8.02 C:6 20.97 -12.25 1 19 1 2 21 1 3 29 1 4 29 1 30 5 -1 6 21 2 7 22 2 8 25 1 26 9 -1 10 29 1 11 13 1 11 23 2 12 14 1 12 24 2 13 25 1 14 26 1 15 17 1 15 27 1 16 20 1 16 23 1 17 30 1 18 24 1 18 30 1 19 22 1 20 21 1 28 22 -2 27 23 -1 24 28 1 25 29 1 26 30 1 27 28 1', '30 31 C 13.99 -14.75 C 11.69 -12.14 C 20.05 -8.69 C 18.83 -6.62 C 22.01 -11.40 O 12.90 -14.24 O 16.46 -16.23 O 16.54 -8.17 O 22.82 -13.51 O 20.05 -7.29 C 16.46 -10.83 C 19.81 -15.43 C 17.62 -10.14 C 20.97 -14.75 C 18.50 -11.82 C 15.32 -12.84 C 19.81 -11.59 C 19.45 -13.32 O 15.26 -14.15 O 14.11 -12.14 C 12.90 -12.84 C 16.46 -14.85 C 16.46 -12.14 C 18.50 -15.20 C 17.62 -8.75 C 21.44 -13.51 C 17.62 -12.84 C 17.62 -14.15 C 18.83 -8.02 C 20.97 -12.25 1 19 1 2 21 1 3 29 1 4 29 1 30 5 -1 6 21 2 7 22 2 8 25 1 26 9 -1 10 29 1 11 13 1 11 23 2 12 14 1 12 24 2 13 25 1 14 26 1 15 17 1 15 27 1 16 20 1 16 23 1 17 30 1 18 24 1 18 30 1 19 22 1 20 21 1 28 22 -2 27 23 -1 24 28 1 25 29 1 26 30 1 27 28 1', '30 31 C:52 13.99 -14.75 C:21 11.69 -12.14 C:24 20.05 -8.69 C:26 18.83 -6.62 C:23 22.01 -11.40 O 12.90 -14.24 O 16.46 -16.23 O 16.54 -8.17 O 22.82 -13.51 O 20.05 -7.29 C:130 16.46 -10.83 C:120 19.81 -15.43 C:30 17.62 -10.14 C:34 20.97 -14.75 C:28 18.50 -11.82 C:65 15.32 -12.84 C:39 19.81 -11.59 C:38 19.45 -13.32 O 15.26 -14.15 O 14.11 -12.14 C:171 12.90 -12.84 C:173 16.46 -14.85 C:138 16.46 -12.14 C:138 18.50 -15.20 C:78 17.62 -8.75 C:74 21.44 -13.51 C:48 17.62 -12.84 C:53 17.62 -14.15 C:73 18.83 -8.02 C:40 20.97 -12.25 1 19 1 2 21 1 3 29 1 4 29 1 30 5 -1 6 21 2 7 22 2 8 25 1 26 9 -1 10 29 1 11 13 1 11 23 2 12 14 1 12 24 2 13 25 1 14 26 1 15 17 1 15 27 1 16 20 1 16 23 1 17 30 1 18 24 1 18 30 1 19 22 1 20 21 1 28 22 -2 27 23 -1 24 28 1 25 29 1 26 30 1 27 28 1', 'C23H36O7', 424.242, 'C', 'np06_338_5', 3809, '', '11', '1', 1, NULL, NULL),
(15039, 'Umbellacin F', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:19]=[C:1]1[CH2:9][CH2:8][CH:7]=[C:6]([CH3:20])[CH2:5][CH2:4][C@H:3]([C:10](=[CH:11][CH2:12][CH:13](O)[C:14]([CH3:15])([CH3:16])O)[CH2:17]O[C:17001]([CH3:17002])=O)[C@H:2]1[C:18](=O)O[CH3:18001]', 'C=C1CCC=C(C)CC[C@H](C(=CCC(O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC', '[CH2:120]=[C:144]1[CH2:31][CH2:29][CH:125]=[C:136]([CH3:19])[CH2:40][CH2:32][C@H:38]([C:140](=[CH:127][CH2:31][CH:77](O)[C:73]([CH3:24])([CH3:27])O)[CH2:66]O[C:171]([CH3:21])=O)[C@H:61]1[C:173](=O)O[CH3:52]', '29 29 C:19 18.08 -16.37 C:18001 14.25 -14.76 C:17002 11.83 -12.04 C:20 22.66 -11.67 C:15 20.29 -8.52 C:16 19.08 -6.44 O 13.04 -14.15 O 16.64 -16.20 O 16.64 -7.84 O 20.29 -7.13 C:7 20.63 -13.43 C:11 16.64 -10.65 C:8 21.33 -14.76 C:9 20.14 -15.45 C:5 20.14 -11.43 C:12 17.88 -9.92 C:4 18.80 -11.67 C:17 15.48 -12.74 O 15.48 -14.15 O 14.25 -12.04 C:17001 13.04 -12.74 C:6 21.33 -12.13 C:1 18.80 -15.20 C:18 16.64 -14.82 C:10 16.64 -12.04 C:13 17.88 -8.52 C:3 17.88 -12.74 C:2 17.88 -14.15 C:14 19.08 -7.84 1 23 2 2 19 1 3 21 1 4 22 1 5 29 1 6 29 1 7 21 2 8 24 2 9 26 1 10 29 1 11 13 1 11 22 2 12 16 1 12 25 2 13 14 1 14 23 1 15 17 1 15 22 1 16 26 1 17 27 1 18 20 1 18 25 1 19 24 1 20 21 1 23 28 1 28 24 -2 27 25 -1 26 29 1 27 28 1', '29 29 C 18.08 -16.37 C 14.25 -14.76 C 11.83 -12.04 C 22.66 -11.67 C 20.29 -8.52 C 19.08 -6.44 O 13.04 -14.15 O 16.64 -16.20 O 16.64 -7.84 O 20.29 -7.13 C 20.63 -13.43 C 16.64 -10.65 C 21.33 -14.76 C 20.14 -15.45 C 20.14 -11.43 C 17.88 -9.92 C 18.80 -11.67 C 15.48 -12.74 O 15.48 -14.15 O 14.25 -12.04 C 13.04 -12.74 C 21.33 -12.13 C 18.80 -15.20 C 16.64 -14.82 C 16.64 -12.04 C 17.88 -8.52 C 17.88 -12.74 C 17.88 -14.15 C 19.08 -7.84 1 23 2 2 19 1 3 21 1 4 22 1 5 29 1 6 29 1 7 21 2 8 24 2 9 26 1 10 29 1 11 13 1 11 22 2 12 16 1 12 25 2 13 14 1 14 23 1 15 17 1 15 22 1 16 26 1 17 27 1 18 20 1 18 25 1 19 24 1 20 21 1 23 28 1 28 24 -2 27 25 -1 26 29 1 27 28 1', '29 29 C:120 18.08 -16.37 C:52 14.25 -14.76 C:21 11.83 -12.04 C:19 22.66 -11.67 C:24 20.29 -8.52 C:27 19.08 -6.44 O 13.04 -14.15 O 16.64 -16.20 O 16.64 -7.84 O 20.29 -7.13 C:125 20.63 -13.43 C:127 16.64 -10.65 C:29 21.33 -14.76 C:31 20.14 -15.45 C:40 20.14 -11.43 C:31 17.88 -9.92 C:32 18.80 -11.67 C:66 15.48 -12.74 O 15.48 -14.15 O 14.25 -12.04 C:171 13.04 -12.74 C:136 21.33 -12.13 C:144 18.80 -15.20 C:173 16.64 -14.82 C:140 16.64 -12.04 C:77 17.88 -8.52 C:38 17.88 -12.74 C:61 17.88 -14.15 C:73 19.08 -7.84 1 23 2 2 19 1 3 21 1 4 22 1 5 29 1 6 29 1 7 21 2 8 24 2 9 26 1 10 29 1 11 13 1 11 22 2 12 16 1 12 25 2 13 14 1 14 23 1 15 17 1 15 22 1 16 26 1 17 27 1 18 20 1 18 25 1 19 24 1 20 21 1 23 28 1 28 24 -2 27 25 -1 26 29 1 27 28 1', 'C23H36O6', 408.242, 'C', 'np06_338_6', 3809, '', '11', '1', 1, NULL, NULL),
(15040, 'Umbellacin G', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][C@H:8](O)[CH2:9][C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O[CH3:18001])O[C@H:17](O[CH3:17001])[C:10]2=[CH:11][CH:12]=[CH:13][CH:14]([CH3:15])[CH3:16]', '[H][C@]12CCC(C)=C[C@H](O)CC(=C)[C@]1([H])[C@@H](OC)O[C@H](OC)C2=CC=CC(C)C', '[H][C@:44]12[CH2:36][CH2:40][C:133]([CH3:18])=[CH:131][C@H:68](O)[CH2:46][C:150](=[CH2:111])[C@:56]1([H])[C@@H:104](O[CH3:57])O[C@H:100](O[CH3:56])[C:139]2=[CH:125][CH:121]=[CH:144][CH:71]([CH3:30])[CH3:30]', '28 29 H 17.28 -11.48 H 17.28 -15.00 C:19 17.48 -16.23 C:17001 12.36 -12.51 C:18001 14.83 -16.74 C:20 22.18 -11.40 C:15 19.68 -8.20 C:16 18.44 -6.08 O 22.18 -15.00 C:12 17.28 -9.63 C:11 16.04 -10.34 C:13 17.28 -8.20 C:7 20.12 -13.19 C:5 19.60 -11.15 C:4 18.20 -11.40 C:9 19.60 -15.27 O 13.56 -11.81 O 16.04 -16.03 O 14.83 -13.93 C:6 20.84 -11.88 C:1 18.20 -15.00 C:10 16.04 -11.81 C:14 18.44 -7.48 C:8 20.84 -14.54 C:17 14.83 -12.51 C:18 16.04 -14.63 C:3 17.28 -12.51 C:2 17.28 -13.93 27 1 -2 28 2 -1 3 21 2 4 17 1 5 18 1 6 20 1 7 23 1 8 23 1 24 9 -2 10 11 1 10 12 2 11 22 2 12 23 1 13 20 2 13 24 1 14 15 1 14 20 1 15 27 1 16 21 1 16 24 1 25 17 -2 26 18 -1 19 25 1 19 26 1 21 28 1 22 25 1 22 27 1 26 28 1 27 28 1', '28 29 H 17.28 -11.48 H 17.28 -15.00 C 17.48 -16.23 C 12.36 -12.51 C 14.83 -16.74 C 22.18 -11.40 C 19.68 -8.20 C 18.44 -6.08 O 22.18 -15.00 C 17.28 -9.63 C 16.04 -10.34 C 17.28 -8.20 C 20.12 -13.19 C 19.60 -11.15 C 18.20 -11.40 C 19.60 -15.27 O 13.56 -11.81 O 16.04 -16.03 O 14.83 -13.93 C 20.84 -11.88 C 18.20 -15.00 C 16.04 -11.81 C 18.44 -7.48 C 20.84 -14.54 C 14.83 -12.51 C 16.04 -14.63 C 17.28 -12.51 C 17.28 -13.93 27 1 -2 28 2 -1 3 21 2 4 17 1 5 18 1 6 20 1 7 23 1 8 23 1 24 9 -2 10 11 1 10 12 2 11 22 2 12 23 1 13 20 2 13 24 1 14 15 1 14 20 1 15 27 1 16 21 1 16 24 1 25 17 -2 26 18 -1 19 25 1 19 26 1 21 28 1 22 25 1 22 27 1 26 28 1 27 28 1', '28 29 H 17.28 -11.48 H 17.28 -15.00 C:111 17.48 -16.23 C:56 12.36 -12.51 C:57 14.83 -16.74 C:18 22.18 -11.40 C:30 19.68 -8.20 C:30 18.44 -6.08 O 22.18 -15.00 C:121 17.28 -9.63 C:125 16.04 -10.34 C:144 17.28 -8.20 C:131 20.12 -13.19 C:40 19.60 -11.15 C:36 18.20 -11.40 C:46 19.60 -15.27 O 13.56 -11.81 O 16.04 -16.03 O 14.83 -13.93 C:133 20.84 -11.88 C:150 18.20 -15.00 C:139 16.04 -11.81 C:71 18.44 -7.48 C:68 20.84 -14.54 C:100 14.83 -12.51 C:104 16.04 -14.63 C:44 17.28 -12.51 C:56 17.28 -13.93 27 1 -2 28 2 -1 3 21 2 4 17 1 5 18 1 6 20 1 7 23 1 8 23 1 24 9 -2 10 11 1 10 12 2 11 22 2 12 23 1 13 20 2 13 24 1 14 15 1 14 20 1 15 27 1 16 21 1 16 24 1 25 17 -2 26 18 -1 19 25 1 19 26 1 21 28 1 22 25 1 22 27 1 26 28 1 27 28 1', 'C22H34O4', 362.249, 'C', 'np06_338_7', 3809, '', '11', '1', 1, NULL, NULL),
(15041, '14,15-Epoxy-xeniolide H', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:7]34[CH2:8][CH2:9][C:1](=[CH2:19])[C@:2]2([H])[C:18](=O)O[C@@:10]([CH:11]=[CH:12][CH:13]1O[C:14]1([CH3:15])[CH3:16])([CH2:17]O)[C@@:3]2([H])[CH2:4][CH2:5][C@:6]3([CH3:20])O4', '[H][C@]34CCC(=C)[C@]2([H])C(=O)O[C@@](C=CC1OC1(C)C)(CO)[C@@]2([H])CC[C@]3(C)O4', '[H][C@:64]34[CH2:29][CH2:28][C:144](=[CH2:122])[C@:59]2([H])[C:176](=O)O[C@@:88]([CH:127]=[CH:132][CH:63]1O[C:61]1([CH3:19])[CH3:25])([CH2:65]O)[C@@:48]2([H])[CH2:28][CH2:39][C@:59]3([CH3:18])O4', '28 31 H 21.58 -13.96 H 16.67 -11.50 H 16.67 -14.99 C:19 16.87 -16.42 C:15 19.07 -8.58 C:16 17.82 -6.44 C:20 21.35 -11.06 O 14.85 -15.89 O 12.81 -12.06 C:12 16.55 -10.02 C:11 15.30 -10.73 C:17 14.09 -11.40 C:9 19.02 -15.43 C:8 20.26 -14.71 C:4 17.58 -11.50 C:5 19.02 -11.27 O 14.44 -13.34 O 16.60 -7.16 O 21.67 -12.25 C:1 17.58 -15.16 C:18 15.30 -14.51 C:13 16.55 -8.58 C:14 17.82 -7.86 C:7 20.76 -13.34 C:3 16.67 -12.63 C:2 16.67 -14.06 C:6 20.26 -11.98 C:10 15.30 -12.17 24 1 -2 25 2 -2 26 3 -1 4 20 2 5 23 1 6 23 1 27 7 -1 8 21 2 9 12 1 10 11 2 10 22 1 28 11 -2 28 12 -1 13 14 1 13 20 1 14 24 1 15 16 1 15 25 1 16 27 1 17 21 1 17 28 1 18 22 1 18 23 1 19 24 1 19 27 1 20 26 1 21 26 1 22 23 1 24 27 1 25 26 1 25 28 1', '28 31 H 21.58 -13.96 H 16.67 -11.50 H 16.67 -14.99 C 16.87 -16.42 C 19.07 -8.58 C 17.82 -6.44 C 21.35 -11.06 O 14.85 -15.89 O 12.81 -12.06 C 16.55 -10.02 C 15.30 -10.73 C 14.09 -11.40 C 19.02 -15.43 C 20.26 -14.71 C 17.58 -11.50 C 19.02 -11.27 O 14.44 -13.34 O 16.60 -7.16 O 21.67 -12.25 C 17.58 -15.16 C 15.30 -14.51 C 16.55 -8.58 C 17.82 -7.86 C 20.76 -13.34 C 16.67 -12.63 C 16.67 -14.06 C 20.26 -11.98 C 15.30 -12.17 24 1 -2 25 2 -2 26 3 -1 4 20 2 5 23 1 6 23 1 27 7 -1 8 21 2 9 12 1 10 11 2 10 22 1 28 11 -2 28 12 -1 13 14 1 13 20 1 14 24 1 15 16 1 15 25 1 16 27 1 17 21 1 17 28 1 18 22 1 18 23 1 19 24 1 19 27 1 20 26 1 21 26 1 22 23 1 24 27 1 25 26 1 25 28 1', '28 31 H 21.58 -13.96 H 16.67 -11.50 H 16.67 -14.99 C:122 16.87 -16.42 C:19 19.07 -8.58 C:25 17.82 -6.44 C:18 21.35 -11.06 O 14.85 -15.89 O 12.81 -12.06 C:132 16.55 -10.02 C:127 15.30 -10.73 C:65 14.09 -11.40 C:28 19.02 -15.43 C:29 20.26 -14.71 C:28 17.58 -11.50 C:39 19.02 -11.27 O 14.44 -13.34 O 16.60 -7.16 O 21.67 -12.25 C:144 17.58 -15.16 C:176 15.30 -14.51 C:63 16.55 -8.58 C:61 17.82 -7.86 C:64 20.76 -13.34 C:48 16.67 -12.63 C:59 16.67 -14.06 C:59 20.26 -11.98 C:88 15.30 -12.17 24 1 -2 25 2 -2 26 3 -1 4 20 2 5 23 1 6 23 1 27 7 -1 8 21 2 9 12 1 10 11 2 10 22 1 28 11 -2 28 12 -1 13 14 1 13 20 1 14 24 1 15 16 1 15 25 1 16 27 1 17 21 1 17 28 1 18 22 1 18 23 1 19 24 1 19 27 1 20 26 1 21 26 1 22 23 1 24 27 1 25 26 1 25 28 1', 'C20H28O5', 348.235, 'C', 'np06_338_8', 3809, '', '11', '1', 1, NULL, NULL),
(15042, '3-Acetyl-14,15-epoxy-xeniolide H', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:7]34[CH2:8][CH2:9][C:1](=[CH2:19])[C@:2]2([H])[C:18](=O)O[C@@:10]([CH:11]=[CH:12][CH:13]1O[C:14]1([CH3:16])[CH3:15])([CH2:17]O[C:17001]([CH3:17002])=O)[C@@:3]2([H])[CH2:4][CH2:5][C@:6]3([CH3:20])O4', '[H][C@]34CCC(=C)[C@]2([H])C(=O)O[C@@](C=CC1OC1(C)C)(COC(C)=O)[C@@]2([H])CC[C@]3(C)O4', '[H][C@:64]34[CH2:29][CH2:28][C:142](=[CH2:123])[C@:58]2([H])[C:174](=O)O[C@@:86]([CH:128]=[CH:131][CH:63]1O[C:62]1([CH3:25])[CH3:19])([CH2:64]O[C:170]([CH3:21])=O)[C@@:43]2([H])[CH2:26][CH2:38][C@:59]3([CH3:18])O4', '31 34 H 22.79 -13.95 H 17.88 -14.98 H 17.88 -11.49 C:19 18.08 -16.40 C:17002 11.61 -11.93 C:16 19.03 -6.43 C:15 20.28 -8.57 C:20 22.56 -11.05 O 12.85 -9.89 O 16.06 -15.88 C:12 17.76 -10.01 C:11 16.51 -10.72 C:9 20.23 -15.42 C:8 21.47 -14.70 C:4 18.79 -11.49 C:5 20.23 -11.29 C:17 15.31 -11.39 O 14.03 -12.05 O 15.66 -13.33 O 17.76 -7.15 O 22.88 -12.24 C:17001 12.85 -11.29 C:1 18.79 -15.15 C:18 16.51 -14.50 C:13 17.76 -8.57 C:14 19.03 -7.85 C:7 21.97 -13.33 C:2 17.88 -14.05 C:3 17.88 -12.62 C:6 21.47 -11.93 C:10 16.51 -12.16 27 1 -2 28 2 -1 29 3 -2 4 23 2 5 22 1 6 26 1 7 26 1 30 8 -1 9 22 2 10 24 2 11 12 2 11 25 1 31 12 -2 13 14 1 13 23 1 14 27 1 15 16 1 15 29 1 16 30 1 17 18 1 31 17 -1 18 22 1 19 24 1 19 31 1 20 25 1 20 26 1 21 27 1 21 30 1 23 28 1 24 28 1 25 26 1 27 30 1 28 29 1 29 31 1', '31 34 H 22.79 -13.95 H 17.88 -14.98 H 17.88 -11.49 C 18.08 -16.40 C 11.61 -11.93 C 19.03 -6.43 C 20.28 -8.57 C 22.56 -11.05 O 12.85 -9.89 O 16.06 -15.88 C 17.76 -10.01 C 16.51 -10.72 C 20.23 -15.42 C 21.47 -14.70 C 18.79 -11.49 C 20.23 -11.29 C 15.31 -11.39 O 14.03 -12.05 O 15.66 -13.33 O 17.76 -7.15 O 22.88 -12.24 C 12.85 -11.29 C 18.79 -15.15 C 16.51 -14.50 C 17.76 -8.57 C 19.03 -7.85 C 21.97 -13.33 C 17.88 -14.05 C 17.88 -12.62 C 21.47 -11.93 C 16.51 -12.16 27 1 -2 28 2 -1 29 3 -2 4 23 2 5 22 1 6 26 1 7 26 1 30 8 -1 9 22 2 10 24 2 11 12 2 11 25 1 31 12 -2 13 14 1 13 23 1 14 27 1 15 16 1 15 29 1 16 30 1 17 18 1 31 17 -1 18 22 1 19 24 1 19 31 1 20 25 1 20 26 1 21 27 1 21 30 1 23 28 1 24 28 1 25 26 1 27 30 1 28 29 1 29 31 1', '31 34 H 22.79 -13.95 H 17.88 -14.98 H 17.88 -11.49 C:123 18.08 -16.40 C:21 11.61 -11.93 C:25 19.03 -6.43 C:19 20.28 -8.57 C:18 22.56 -11.05 O 12.85 -9.89 O 16.06 -15.88 C:131 17.76 -10.01 C:128 16.51 -10.72 C:28 20.23 -15.42 C:29 21.47 -14.70 C:26 18.79 -11.49 C:38 20.23 -11.29 C:64 15.31 -11.39 O 14.03 -12.05 O 15.66 -13.33 O 17.76 -7.15 O 22.88 -12.24 C:170 12.85 -11.29 C:142 18.79 -15.15 C:174 16.51 -14.50 C:63 17.76 -8.57 C:62 19.03 -7.85 C:64 21.97 -13.33 C:58 17.88 -14.05 C:43 17.88 -12.62 C:59 21.47 -11.93 C:86 16.51 -12.16 27 1 -2 28 2 -1 29 3 -2 4 23 2 5 22 1 6 26 1 7 26 1 30 8 -1 9 22 2 10 24 2 11 12 2 11 25 1 31 12 -2 13 14 1 13 23 1 14 27 1 15 16 1 15 29 1 16 30 1 17 18 1 31 17 -1 18 22 1 19 24 1 19 31 1 20 25 1 20 26 1 21 27 1 21 30 1 23 28 1 24 28 1 25 26 1 27 30 1 28 29 1 29 31 1', 'C22H30O6', 390.256, 'C', 'np06_338_9', 3809, '', '11', '1', 1, NULL, NULL),
(15043, 'Umbellacin H', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:19]=[C:1]2[CH2:9][CH2:8][CH:7]1O[C@@:6]1([CH3:20])[CH2:5][CH2:4][C@H:3]([C:10](=[CH:11][CH2:12][CH:13](O)[C:14]([CH3:15])([CH3:16])O)[CH2:17]O[C:17001]([CH3:17002])=O)[C@H:2]2[C:18](=O)O[CH3:18001]', 'C=C2CCC1O[C@@]1(C)CC[C@H](C(=CCC(O)C(C)(C)O)COC(C)=O)[C@H]2C(=O)OC', '[CH2:121]=[C:143]2[CH2:26][CH2:27][CH:64]1O[C@@:60]1([CH3:19])[CH2:38][CH2:29][C@H:38]([C:138](=[CH:128][CH2:31][CH:77](O)[C:73]([CH3:24])([CH3:27])O)[CH2:66]O[C:171]([CH3:21])=O)[C@H:61]2[C:173](=O)O[CH3:52]', '30 31 C:19 18.07 -16.37 C:18001 14.27 -14.77 C:17002 11.84 -12.06 C:15 20.24 -8.55 C:16 19.02 -6.45 C:20 22.64 -11.69 O 13.04 -14.16 O 16.65 -16.20 O 16.65 -7.88 O 20.24 -7.13 C:11 16.65 -10.67 C:9 20.14 -15.44 C:12 17.88 -9.95 C:8 21.34 -14.77 C:4 18.79 -11.69 C:17 15.48 -12.76 C:5 20.14 -11.45 O 15.48 -14.11 O 14.27 -12.06 O 22.02 -13.45 C:17001 13.04 -12.76 C:1 18.79 -15.20 C:18 16.65 -14.82 C:10 16.65 -12.06 C:13 17.88 -8.55 C:3 17.88 -12.76 C:7 20.63 -13.45 C:2 17.88 -14.11 C:14 19.02 -7.88 C:6 21.34 -12.15 1 22 2 2 18 1 3 21 1 4 29 1 5 29 1 30 6 -1 7 21 2 8 23 2 9 25 1 10 29 1 11 13 1 11 24 2 12 14 1 12 22 1 13 25 1 14 27 1 15 17 1 15 26 1 16 19 1 16 24 1 17 30 1 18 23 1 19 21 1 20 27 1 20 30 1 22 28 1 28 23 -2 26 24 -1 25 29 1 26 28 1 27 30 1', '30 31 C 18.07 -16.37 C 14.27 -14.77 C 11.84 -12.06 C 20.24 -8.55 C 19.02 -6.45 C 22.64 -11.69 O 13.04 -14.16 O 16.65 -16.20 O 16.65 -7.88 O 20.24 -7.13 C 16.65 -10.67 C 20.14 -15.44 C 17.88 -9.95 C 21.34 -14.77 C 18.79 -11.69 C 15.48 -12.76 C 20.14 -11.45 O 15.48 -14.11 O 14.27 -12.06 O 22.02 -13.45 C 13.04 -12.76 C 18.79 -15.20 C 16.65 -14.82 C 16.65 -12.06 C 17.88 -8.55 C 17.88 -12.76 C 20.63 -13.45 C 17.88 -14.11 C 19.02 -7.88 C 21.34 -12.15 1 22 2 2 18 1 3 21 1 4 29 1 5 29 1 30 6 -1 7 21 2 8 23 2 9 25 1 10 29 1 11 13 1 11 24 2 12 14 1 12 22 1 13 25 1 14 27 1 15 17 1 15 26 1 16 19 1 16 24 1 17 30 1 18 23 1 19 21 1 20 27 1 20 30 1 22 28 1 28 23 -2 26 24 -1 25 29 1 26 28 1 27 30 1', '30 31 C:121 18.07 -16.37 C:52 14.27 -14.77 C:21 11.84 -12.06 C:24 20.24 -8.55 C:27 19.02 -6.45 C:19 22.64 -11.69 O 13.04 -14.16 O 16.65 -16.20 O 16.65 -7.88 O 20.24 -7.13 C:128 16.65 -10.67 C:26 20.14 -15.44 C:31 17.88 -9.95 C:27 21.34 -14.77 C:29 18.79 -11.69 C:66 15.48 -12.76 C:38 20.14 -11.45 O 15.48 -14.11 O 14.27 -12.06 O 22.02 -13.45 C:171 13.04 -12.76 C:143 18.79 -15.20 C:173 16.65 -14.82 C:138 16.65 -12.06 C:77 17.88 -8.55 C:38 17.88 -12.76 C:64 20.63 -13.45 C:61 17.88 -14.11 C:73 19.02 -7.88 C:60 21.34 -12.15 1 22 2 2 18 1 3 21 1 4 29 1 5 29 1 30 6 -1 7 21 2 8 23 2 9 25 1 10 29 1 11 13 1 11 24 2 12 14 1 12 22 1 13 25 1 14 27 1 15 17 1 15 26 1 16 19 1 16 24 1 17 30 1 18 23 1 19 21 1 20 27 1 20 30 1 22 28 1 28 23 -2 26 24 -1 25 29 1 26 28 1 27 30 1', 'C23H36O7', 424.242, 'C', 'np06_338_10', 3809, '', '11', '1', 1, NULL, NULL),
(15044, 'Umbellacin I', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH3:18001]O[C:18](=O)[C@@H:2]1[C@@H:3]([C:10](=[CH:11][CH2:12][CH:13](O)[C:14]([CH3:15])([CH3:16])O)[CH2:17]O[C:17001]([CH3:17002])=O)[CH2:4][CH2:5][C@@:6]2([CH3:20])[CH2:19][C@:1]1(O)[CH2:9][CH2:8][C@@H:7]2O', 'COC(=O)[C@@H]1[C@@H](C(=CCC(O)C(C)(C)O)COC(C)=O)CC[C@@]2(C)C[C@]1(O)CC[C@@H]2O', '[CH3:52]O[C:174](=O)[C@@H:61]1[C@@H:40]([C:139](=[CH:128][CH2:30][CH:77](O)[C:73]([CH3:24])([CH3:26])O)[CH2:65]O[C:171]([CH3:21])=O)[CH2:30][CH2:39][C@@:37]2([CH3:30])[CH2:44][C@:73]1(O)[CH2:28][CH2:28][C@@H:74]2O', '31 32 C:18001 14.00 -14.64 C:17002 11.70 -12.03 C:15 20.02 -8.58 C:16 18.81 -6.50 C:20 22.01 -11.29 O 12.91 -14.13 O 16.45 -16.11 O 16.53 -8.06 O 22.83 -13.40 O 20.02 -7.16 O 17.86 -16.33 C:11 16.45 -10.72 C:12 17.62 -10.02 C:8 20.97 -14.64 C:4 18.50 -11.71 C:17 15.32 -12.73 C:5 19.81 -11.48 C:9 19.81 -15.31 C:19 19.46 -13.21 O 15.26 -14.04 O 14.12 -12.03 C:17001 12.91 -12.73 C:18 16.45 -14.74 C:10 16.45 -12.03 C:13 17.62 -8.64 C:7 21.44 -13.40 C:3 17.62 -12.73 C:2 17.62 -14.04 C:14 18.81 -7.90 C:6 20.97 -12.14 C:1 18.50 -15.09 1 20 1 2 22 1 3 29 1 4 29 1 30 5 -1 6 22 2 7 23 2 8 25 1 26 9 -1 10 29 1 31 11 -1 12 13 1 12 24 2 13 25 1 14 18 1 14 26 1 15 17 1 15 27 1 16 21 1 16 24 1 17 30 1 18 31 1 19 30 1 19 31 1 20 23 1 21 22 1 28 23 -2 27 24 -1 25 29 1 26 30 1 27 28 1 28 31 1', '31 32 C 14.00 -14.64 C 11.70 -12.03 C 20.02 -8.58 C 18.81 -6.50 C 22.01 -11.29 O 12.91 -14.13 O 16.45 -16.11 O 16.53 -8.06 O 22.83 -13.40 O 20.02 -7.16 O 17.86 -16.33 C 16.45 -10.72 C 17.62 -10.02 C 20.97 -14.64 C 18.50 -11.71 C 15.32 -12.73 C 19.81 -11.48 C 19.81 -15.31 C 19.46 -13.21 O 15.26 -14.04 O 14.12 -12.03 C 12.91 -12.73 C 16.45 -14.74 C 16.45 -12.03 C 17.62 -8.64 C 21.44 -13.40 C 17.62 -12.73 C 17.62 -14.04 C 18.81 -7.90 C 20.97 -12.14 C 18.50 -15.09 1 20 1 2 22 1 3 29 1 4 29 1 30 5 -1 6 22 2 7 23 2 8 25 1 26 9 -1 10 29 1 31 11 -1 12 13 1 12 24 2 13 25 1 14 18 1 14 26 1 15 17 1 15 27 1 16 21 1 16 24 1 17 30 1 18 31 1 19 30 1 19 31 1 20 23 1 21 22 1 28 23 -2 27 24 -1 25 29 1 26 30 1 27 28 1 28 31 1', '31 32 C:52 14.00 -14.64 C:21 11.70 -12.03 C:24 20.02 -8.58 C:26 18.81 -6.50 C:30 22.01 -11.29 O 12.91 -14.13 O 16.45 -16.11 O 16.53 -8.06 O 22.83 -13.40 O 20.02 -7.16 O 17.86 -16.33 C:128 16.45 -10.72 C:30 17.62 -10.02 C:28 20.97 -14.64 C:30 18.50 -11.71 C:65 15.32 -12.73 C:39 19.81 -11.48 C:28 19.81 -15.31 C:44 19.46 -13.21 O 15.26 -14.04 O 14.12 -12.03 C:171 12.91 -12.73 C:174 16.45 -14.74 C:139 16.45 -12.03 C:77 17.62 -8.64 C:74 21.44 -13.40 C:40 17.62 -12.73 C:61 17.62 -14.04 C:73 18.81 -7.90 C:37 20.97 -12.14 C:73 18.50 -15.09 1 20 1 2 22 1 3 29 1 4 29 1 30 5 -1 6 22 2 7 23 2 8 25 1 26 9 -1 10 29 1 31 11 -1 12 13 1 12 24 2 13 25 1 14 18 1 14 26 1 15 17 1 15 27 1 16 21 1 16 24 1 17 30 1 18 31 1 19 30 1 19 31 1 20 23 1 21 22 1 28 23 -2 27 24 -1 25 29 1 26 30 1 27 28 1 28 31 1', 'C23H38O8', 442.241, 'C', 'np06_338_11', 3809, '', '11', '1', 1, NULL, NULL),
(15045, 'Florxenilide A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][C@@H:8](O[C:101](=O)[c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[C@@H:9](O)[C:1](=[CH2:19])[C@:2]2([H])[C@H:18](O[C:18001]([CH3:18002])=O)O[CH:17]=[C:10]3[C@H:11](O[C:11001]([CH3:11002])=O)[C@@H:12]([CH:13]=[C:14]([CH3:16])[CH3:15])O[C:12001]([CH3:12002])=O', '[H][C@]23CCC(C)=C[C@@H](OC(=O)c1ccccc1)[C@@H](O)C(=C)[C@]2([H])[C@H](OC(C)=O)OC=C3[C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O', '[H][C@:38]23[CH2:29][CH2:41][C:138]([CH3:18])=[CH:122][C@@H:78](O[C:166](=O)[c:130]1[cH:129][cH:128][cH:133][cH:128][cH:129]1)[C@@H:82](O)[C:150](=[CH2:116])[C@:42]2([H])[C@H:92](O[C:170]([CH3:21])=O)O[CH:137]=[C:113]3[C@H:71](O[C:170]([CH3:21])=O)[C@@H:72]([CH:118]=[C:141]([CH3:26])[CH3:19])O[C:170]([CH3:21])=O', '45 47 H 15.47 -10.84 H 15.47 -14.31 C:19 15.68 -15.55 C:16 11.82 -5.44 C:15 10.58 -7.56 C:12002 10.58 -11.82 C:18002 13.03 -17.44 C:11002 16.71 -6.89 C:20 20.36 -10.76 O 9.37 -9.70 O 11.82 -15.35 O 14.23 -6.83 O 21.50 -12.55 O 17.98 -15.97 C:17 13.03 -11.82 C:13 13.03 -7.56 C:7 18.28 -12.55 C:105 25.10 -16.13 C:104 25.10 -14.73 C:106 23.87 -16.85 C:103 23.87 -14.05 C:107 22.66 -16.13 C:5 17.76 -10.52 C:4 16.39 -10.76 O 13.03 -13.26 O 11.82 -9.70 O 14.23 -15.35 O 15.47 -8.99 O 20.26 -14.58 C:14 11.82 -6.83 C:12001 10.58 -10.42 C:18001 13.03 -16.04 C:11001 15.47 -7.56 C:6 19.02 -11.24 C:1 16.39 -14.31 C:101 21.50 -13.94 C:10 14.23 -11.15 C:102 22.66 -14.73 C:8 19.02 -13.85 C:12 13.03 -8.99 C:9 17.76 -14.58 C:18 14.23 -13.94 C:11 14.23 -9.70 C:3 15.47 -11.82 C:2 15.47 -13.26 44 1 -2 45 2 -1 3 35 2 4 30 1 5 30 1 6 31 1 7 32 1 8 33 1 9 34 1 10 31 2 11 32 2 12 33 2 13 36 2 41 14 -1 15 25 1 15 37 2 16 30 2 16 40 1 17 34 2 17 39 1 18 19 2 18 20 1 19 21 1 20 22 2 21 38 2 22 38 1 23 24 1 23 34 1 24 44 1 25 42 1 26 31 1 40 26 -2 27 32 1 42 27 -2 28 33 1 43 28 -1 29 36 1 39 29 -1 35 41 1 35 45 1 36 38 1 37 43 1 37 44 1 39 41 1 40 43 1 42 45 1 44 45 1', '45 47 H 15.47 -10.84 H 15.47 -14.31 C 15.68 -15.55 C 11.82 -5.44 C 10.58 -7.56 C 10.58 -11.82 C 13.03 -17.44 C 16.71 -6.89 C 20.36 -10.76 O 9.37 -9.70 O 11.82 -15.35 O 14.23 -6.83 O 21.50 -12.55 O 17.98 -15.97 C 13.03 -11.82 C 13.03 -7.56 C 18.28 -12.55 C 25.10 -16.13 C 25.10 -14.73 C 23.87 -16.85 C 23.87 -14.05 C 22.66 -16.13 C 17.76 -10.52 C 16.39 -10.76 O 13.03 -13.26 O 11.82 -9.70 O 14.23 -15.35 O 15.47 -8.99 O 20.26 -14.58 C 11.82 -6.83 C 10.58 -10.42 C 13.03 -16.04 C 15.47 -7.56 C 19.02 -11.24 C 16.39 -14.31 C 21.50 -13.94 C 14.23 -11.15 C 22.66 -14.73 C 19.02 -13.85 C 13.03 -8.99 C 17.76 -14.58 C 14.23 -13.94 C 14.23 -9.70 C 15.47 -11.82 C 15.47 -13.26 44 1 -2 45 2 -1 3 35 2 4 30 1 5 30 1 6 31 1 7 32 1 8 33 1 9 34 1 10 31 2 11 32 2 12 33 2 13 36 2 41 14 -1 15 25 1 15 37 2 16 30 2 16 40 1 17 34 2 17 39 1 18 19 2 18 20 1 19 21 1 20 22 2 21 38 2 22 38 1 23 24 1 23 34 1 24 44 1 25 42 1 26 31 1 40 26 -2 27 32 1 42 27 -2 28 33 1 43 28 -1 29 36 1 39 29 -1 35 41 1 35 45 1 36 38 1 37 43 1 37 44 1 39 41 1 40 43 1 42 45 1 44 45 1', '45 47 H 15.47 -10.84 H 15.47 -14.31 C:116 15.68 -15.55 C:26 11.82 -5.44 C:19 10.58 -7.56 C:21 10.58 -11.82 C:21 13.03 -17.44 C:21 16.71 -6.89 C:18 20.36 -10.76 O 9.37 -9.70 O 11.82 -15.35 O 14.23 -6.83 O 21.50 -12.55 O 17.98 -15.97 C:137 13.03 -11.82 C:118 13.03 -7.56 C:122 18.28 -12.55 C:133 25.10 -16.13 C:128 25.10 -14.73 C:128 23.87 -16.85 C:129 23.87 -14.05 C:129 22.66 -16.13 C:41 17.76 -10.52 C:29 16.39 -10.76 O 13.03 -13.26 O 11.82 -9.70 O 14.23 -15.35 O 15.47 -8.99 O 20.26 -14.58 C:141 11.82 -6.83 C:170 10.58 -10.42 C:170 13.03 -16.04 C:170 15.47 -7.56 C:138 19.02 -11.24 C:150 16.39 -14.31 C:166 21.50 -13.94 C:113 14.23 -11.15 C:130 22.66 -14.73 C:78 19.02 -13.85 C:72 13.03 -8.99 C:82 17.76 -14.58 C:92 14.23 -13.94 C:71 14.23 -9.70 C:38 15.47 -11.82 C:42 15.47 -13.26 44 1 -2 45 2 -1 3 35 2 4 30 1 5 30 1 6 31 1 7 32 1 8 33 1 9 34 1 10 31 2 11 32 2 12 33 2 13 36 2 41 14 -1 15 25 1 15 37 2 16 30 2 16 40 1 17 34 2 17 39 1 18 19 2 18 20 1 19 21 1 20 22 2 21 38 2 22 38 1 23 24 1 23 34 1 24 44 1 25 42 1 26 31 1 40 26 -2 27 32 1 42 27 -2 28 33 1 43 28 -1 29 36 1 39 29 -1 35 41 1 35 45 1 36 38 1 37 43 1 37 44 1 39 41 1 40 43 1 42 45 1 44 45 1', 'C33H40O10', 596.363, 'C', 'np06_675_1', 3810, '', '11', '1', 1, NULL, NULL),
(15046, 'Florxenilide B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]34[CH2:4][CH2:5][C@:6]1([CH3:20])O[C@H:7]1[C@@H:8](O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105][cH:104][cH:103]2)[C@@H:9](O)[C:1](=[CH2:19])[C@:2]3([H])[C@H:18](O[C:18001]([CH3:18002])=O)O[CH:17]=[C:10]4[C@H:11](O[C:11001]([CH3:11002])=O)[C@@H:12]([CH:13]=[C:14]([CH3:15])[CH3:16])O[C:12001]([CH3:12002])=O', '[H][C@]34CC[C@]1(C)O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](O)C(=C)[C@]3([H])[C@H](OC(C)=O)OC=C4[C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O', '[H][C@:38]34[CH2:26][CH2:41][C@:60]1([CH3:18])O[C@H:62]1[C@@H:81](O[C:167](=O)[c:130]2[cH:130][cH:129][cH:134][cH:129][cH:130]2)[C@@H:81](O)[C:148](=[CH2:118])[C@:41]3([H])[C@H:91](O[C:170]([CH3:21])=O)O[CH:138]=[C:113]4[C@H:71](O[C:170]([CH3:21])=O)[C@@H:71]([CH:118]=[C:141]([CH3:19])[CH3:26])O[C:170]([CH3:21])=O', '46 49 H 15.47 -10.84 H 15.47 -14.31 C:19 15.68 -15.55 C:15 10.58 -7.57 C:16 11.82 -5.44 C:12002 10.58 -11.82 C:18002 13.03 -17.44 C:11002 16.71 -6.90 C:20 20.37 -10.76 O 9.37 -9.70 O 11.82 -15.35 O 14.23 -6.84 O 21.51 -12.55 O 17.98 -15.97 C:17 13.03 -11.82 C:13 13.03 -7.57 C:105 25.11 -16.13 C:106 23.88 -16.85 C:104 25.11 -14.73 C:107 22.67 -16.13 C:103 23.88 -14.05 C:4 16.39 -10.76 C:5 17.76 -10.52 O 13.03 -13.26 O 11.82 -9.70 O 14.23 -15.35 O 15.47 -8.99 O 20.26 -14.58 O 19.71 -12.49 C:14 11.82 -6.84 C:12001 10.58 -10.42 C:18001 13.03 -16.04 C:11001 15.47 -7.57 C:1 16.39 -14.31 C:101 21.51 -13.94 C:10 14.23 -11.15 C:102 22.67 -14.73 C:12 13.03 -8.99 C:9 17.76 -14.58 C:18 14.23 -13.94 C:11 14.23 -9.70 C:8 19.02 -13.85 C:7 18.28 -12.55 C:3 15.47 -11.82 C:6 19.02 -11.24 C:2 15.47 -13.26 44 1 -2 46 2 -1 3 34 2 4 30 1 5 30 1 6 31 1 7 32 1 8 33 1 45 9 -1 10 31 2 11 32 2 12 33 2 13 35 2 39 14 -1 15 24 1 15 36 2 16 30 2 16 38 1 17 18 1 17 19 2 18 20 2 19 21 1 20 37 1 21 37 2 22 23 1 22 44 1 23 45 1 24 40 1 25 31 1 38 25 -2 26 32 1 40 26 -2 27 33 1 41 27 -1 28 35 1 42 28 -1 43 29 -1 29 45 1 34 39 1 34 46 1 35 37 1 36 41 1 36 44 1 38 41 1 39 42 1 40 46 1 42 43 1 43 45 1 44 46 1', '46 49 H 15.47 -10.84 H 15.47 -14.31 C 15.68 -15.55 C 10.58 -7.57 C 11.82 -5.44 C 10.58 -11.82 C 13.03 -17.44 C 16.71 -6.90 C 20.37 -10.76 O 9.37 -9.70 O 11.82 -15.35 O 14.23 -6.84 O 21.51 -12.55 O 17.98 -15.97 C 13.03 -11.82 C 13.03 -7.57 C 25.11 -16.13 C 23.88 -16.85 C 25.11 -14.73 C 22.67 -16.13 C 23.88 -14.05 C 16.39 -10.76 C 17.76 -10.52 O 13.03 -13.26 O 11.82 -9.70 O 14.23 -15.35 O 15.47 -8.99 O 20.26 -14.58 O 19.71 -12.49 C 11.82 -6.84 C 10.58 -10.42 C 13.03 -16.04 C 15.47 -7.57 C 16.39 -14.31 C 21.51 -13.94 C 14.23 -11.15 C 22.67 -14.73 C 13.03 -8.99 C 17.76 -14.58 C 14.23 -13.94 C 14.23 -9.70 C 19.02 -13.85 C 18.28 -12.55 C 15.47 -11.82 C 19.02 -11.24 C 15.47 -13.26 44 1 -2 46 2 -1 3 34 2 4 30 1 5 30 1 6 31 1 7 32 1 8 33 1 45 9 -1 10 31 2 11 32 2 12 33 2 13 35 2 39 14 -1 15 24 1 15 36 2 16 30 2 16 38 1 17 18 1 17 19 2 18 20 2 19 21 1 20 37 1 21 37 2 22 23 1 22 44 1 23 45 1 24 40 1 25 31 1 38 25 -2 26 32 1 40 26 -2 27 33 1 41 27 -1 28 35 1 42 28 -1 43 29 -1 29 45 1 34 39 1 34 46 1 35 37 1 36 41 1 36 44 1 38 41 1 39 42 1 40 46 1 42 43 1 43 45 1 44 46 1', '46 49 H 15.47 -10.84 H 15.47 -14.31 C:118 15.68 -15.55 C:19 10.58 -7.57 C:26 11.82 -5.44 C:21 10.58 -11.82 C:21 13.03 -17.44 C:21 16.71 -6.90 C:18 20.37 -10.76 O 9.37 -9.70 O 11.82 -15.35 O 14.23 -6.84 O 21.51 -12.55 O 17.98 -15.97 C:138 13.03 -11.82 C:118 13.03 -7.57 C:134 25.11 -16.13 C:129 23.88 -16.85 C:129 25.11 -14.73 C:130 22.67 -16.13 C:130 23.88 -14.05 C:26 16.39 -10.76 C:41 17.76 -10.52 O 13.03 -13.26 O 11.82 -9.70 O 14.23 -15.35 O 15.47 -8.99 O 20.26 -14.58 O 19.71 -12.49 C:141 11.82 -6.84 C:170 10.58 -10.42 C:170 13.03 -16.04 C:170 15.47 -7.57 C:148 16.39 -14.31 C:167 21.51 -13.94 C:113 14.23 -11.15 C:130 22.67 -14.73 C:71 13.03 -8.99 C:81 17.76 -14.58 C:91 14.23 -13.94 C:71 14.23 -9.70 C:81 19.02 -13.85 C:62 18.28 -12.55 C:38 15.47 -11.82 C:60 19.02 -11.24 C:41 15.47 -13.26 44 1 -2 46 2 -1 3 34 2 4 30 1 5 30 1 6 31 1 7 32 1 8 33 1 45 9 -1 10 31 2 11 32 2 12 33 2 13 35 2 39 14 -1 15 24 1 15 36 2 16 30 2 16 38 1 17 18 1 17 19 2 18 20 2 19 21 1 20 37 1 21 37 2 22 23 1 22 44 1 23 45 1 24 40 1 25 31 1 38 25 -2 26 32 1 40 26 -2 27 33 1 41 27 -1 28 35 1 42 28 -1 43 29 -1 29 45 1 34 39 1 34 46 1 35 37 1 36 41 1 36 44 1 38 41 1 39 42 1 40 46 1 42 43 1 43 45 1 44 46 1', 'C33H40O11', 612.362, 'C', 'np06_675_2', 3810, '', '11', '1', 1, NULL, NULL),
(15047, 'Florxenilide C', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@@:6]1([CH3:20])[CH2:19][C@:1](O[CH3:1001])([CH2:9][CH2:8][C@@H:7]1O)[C@:2]2([H])[C:18](=O)O[CH2:17][C:10]3=[CH:11][CH:12]=[CH:13][C:14]([CH3:15])([CH3:16])O', '[H][C@]23CC[C@@]1(C)C[C@](OC)(CC[C@@H]1O)[C@]2([H])C(=O)OCC3=CC=CC(C)(C)O', '[H][C@:38]23[CH2:34][CH2:38][C@@:37]1([CH3:31])[CH2:38][C@:76](O[CH3:49])([CH2:21][CH2:28][C@@H:74]1O)[C@:54]2([H])[C:171](=O)O[CH2:71][C:137]3=[CH:128][CH:121]=[CH:145][C:71]([CH3:30])([CH3:30])O', '28 30 H 15.82 -11.55 H 15.82 -14.98 C:1001 15.26 -16.63 C:15 18.29 -8.32 C:16 17.03 -6.20 C:20 20.21 -13.81 O 14.59 -16.08 O 21.12 -15.24 O 18.29 -6.91 C:12 15.82 -9.74 C:11 14.59 -10.44 C:13 15.82 -8.32 C:8 19.04 -16.08 C:17 13.38 -12.56 C:9 17.62 -16.08 C:5 18.29 -11.99 C:4 16.92 -11.68 C:19 18.29 -14.54 O 16.60 -16.22 O 13.38 -13.97 C:18 14.59 -14.68 C:10 14.59 -11.85 C:7 19.76 -14.85 C:14 17.03 -7.61 C:6 18.90 -13.26 C:3 15.82 -12.56 C:2 15.82 -13.97 C:1 16.92 -14.85 26 1 -2 27 2 -1 3 19 1 4 24 1 5 24 1 25 6 -1 7 21 2 23 8 -1 9 24 1 10 11 1 10 12 2 11 22 2 12 24 1 13 15 1 13 23 1 14 20 1 14 22 1 15 28 1 16 17 1 16 25 1 17 26 1 18 25 1 18 28 1 28 19 -1 20 21 1 21 27 1 22 26 1 23 25 1 26 27 1 27 28 1', '28 30 H 15.82 -11.55 H 15.82 -14.98 C 15.26 -16.63 C 18.29 -8.32 C 17.03 -6.20 C 20.21 -13.81 O 14.59 -16.08 O 21.12 -15.24 O 18.29 -6.91 C 15.82 -9.74 C 14.59 -10.44 C 15.82 -8.32 C 19.04 -16.08 C 13.38 -12.56 C 17.62 -16.08 C 18.29 -11.99 C 16.92 -11.68 C 18.29 -14.54 O 16.60 -16.22 O 13.38 -13.97 C 14.59 -14.68 C 14.59 -11.85 C 19.76 -14.85 C 17.03 -7.61 C 18.90 -13.26 C 15.82 -12.56 C 15.82 -13.97 C 16.92 -14.85 26 1 -2 27 2 -1 3 19 1 4 24 1 5 24 1 25 6 -1 7 21 2 23 8 -1 9 24 1 10 11 1 10 12 2 11 22 2 12 24 1 13 15 1 13 23 1 14 20 1 14 22 1 15 28 1 16 17 1 16 25 1 17 26 1 18 25 1 18 28 1 28 19 -1 20 21 1 21 27 1 22 26 1 23 25 1 26 27 1 27 28 1', '28 30 H 15.82 -11.55 H 15.82 -14.98 C:49 15.26 -16.63 C:30 18.29 -8.32 C:30 17.03 -6.20 C:31 20.21 -13.81 O 14.59 -16.08 O 21.12 -15.24 O 18.29 -6.91 C:121 15.82 -9.74 C:128 14.59 -10.44 C:145 15.82 -8.32 C:28 19.04 -16.08 C:71 13.38 -12.56 C:21 17.62 -16.08 C:38 18.29 -11.99 C:34 16.92 -11.68 C:38 18.29 -14.54 O 16.60 -16.22 O 13.38 -13.97 C:171 14.59 -14.68 C:137 14.59 -11.85 C:74 19.76 -14.85 C:71 17.03 -7.61 C:37 18.90 -13.26 C:38 15.82 -12.56 C:54 15.82 -13.97 C:76 16.92 -14.85 26 1 -2 27 2 -1 3 19 1 4 24 1 5 24 1 25 6 -1 7 21 2 23 8 -1 9 24 1 10 11 1 10 12 2 11 22 2 12 24 1 13 15 1 13 23 1 14 20 1 14 22 1 15 28 1 16 17 1 16 25 1 17 26 1 18 25 1 18 28 1 28 19 -1 20 21 1 21 27 1 22 26 1 23 25 1 26 27 1 27 28 1', 'C21H32O5', 364.238, 'C', 'np06_675_3', 3810, '', '11', '1', 1, NULL, NULL),
(15048, '', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][CH2:8][CH2:9][C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O[C:18001]([CH3:18002])=O)O[CH:17]=[C:10]2[CH:11]([CH2:12][CH:13]3O[C:14]3([CH3:15])[CH3:16])O[C:11001]([CH3:11002])=O', '[H][C@]12CCC(C)=CCCC(=C)[C@]1([H])[C@@H](OC(C)=O)OC=C2C(CC3OC3(C)C)OC(C)=O', '[H][C@:37]12[CH2:31][CH2:40][C:136]([CH3:18])=[CH:124][CH2:25][CH2:35][C:151](=[CH2:113])[C@:50]1([H])[C@@H:92](O[C:170]([CH3:21])=O)O[CH:141]=[C:116]2[CH:72]([CH2:33][CH:61]3O[C:58]3([CH3:19])[CH3:25])O[C:170]([CH3:21])=O', '32 34 H 17.20 -10.77 H 17.20 -14.30 C:19 17.40 -15.53 C:11002 12.32 -8.86 C:18002 14.75 -17.45 C:20 22.12 -10.69 C:15 19.59 -7.49 C:16 18.35 -5.37 O 13.54 -10.98 O 13.54 -15.32 C:7 20.03 -12.49 C:17 14.75 -11.79 C:8 20.75 -13.84 C:9 19.51 -14.57 C:5 19.51 -10.43 C:4 18.11 -10.69 C:12 17.20 -8.92 O 14.75 -13.23 O 14.75 -8.86 O 15.96 -15.32 O 17.20 -6.09 C:11001 13.54 -9.57 C:18001 14.75 -16.03 C:6 20.75 -11.17 C:1 18.11 -14.30 C:10 15.96 -11.07 C:11 15.96 -9.57 C:13 17.20 -7.49 C:18 15.96 -13.93 C:14 18.35 -6.77 C:3 17.20 -11.79 C:2 17.20 -13.23 31 1 -2 32 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 22 2 10 23 2 11 13 1 11 24 2 12 18 1 12 26 2 13 14 1 14 25 1 15 16 1 15 24 1 16 31 1 17 27 1 17 28 1 18 29 1 19 22 1 19 27 1 20 23 1 29 20 -1 21 28 1 21 30 1 25 32 1 26 27 1 26 31 1 28 30 1 29 32 1 31 32 1', '32 34 H 17.20 -10.77 H 17.20 -14.30 C 17.40 -15.53 C 12.32 -8.86 C 14.75 -17.45 C 22.12 -10.69 C 19.59 -7.49 C 18.35 -5.37 O 13.54 -10.98 O 13.54 -15.32 C 20.03 -12.49 C 14.75 -11.79 C 20.75 -13.84 C 19.51 -14.57 C 19.51 -10.43 C 18.11 -10.69 C 17.20 -8.92 O 14.75 -13.23 O 14.75 -8.86 O 15.96 -15.32 O 17.20 -6.09 C 13.54 -9.57 C 14.75 -16.03 C 20.75 -11.17 C 18.11 -14.30 C 15.96 -11.07 C 15.96 -9.57 C 17.20 -7.49 C 15.96 -13.93 C 18.35 -6.77 C 17.20 -11.79 C 17.20 -13.23 31 1 -2 32 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 22 2 10 23 2 11 13 1 11 24 2 12 18 1 12 26 2 13 14 1 14 25 1 15 16 1 15 24 1 16 31 1 17 27 1 17 28 1 18 29 1 19 22 1 19 27 1 20 23 1 29 20 -1 21 28 1 21 30 1 25 32 1 26 27 1 26 31 1 28 30 1 29 32 1 31 32 1', '32 34 H 17.20 -10.77 H 17.20 -14.30 C:113 17.40 -15.53 C:21 12.32 -8.86 C:21 14.75 -17.45 C:18 22.12 -10.69 C:19 19.59 -7.49 C:25 18.35 -5.37 O 13.54 -10.98 O 13.54 -15.32 C:124 20.03 -12.49 C:141 14.75 -11.79 C:25 20.75 -13.84 C:35 19.51 -14.57 C:40 19.51 -10.43 C:31 18.11 -10.69 C:33 17.20 -8.92 O 14.75 -13.23 O 14.75 -8.86 O 15.96 -15.32 O 17.20 -6.09 C:170 13.54 -9.57 C:170 14.75 -16.03 C:136 20.75 -11.17 C:151 18.11 -14.30 C:116 15.96 -11.07 C:72 15.96 -9.57 C:61 17.20 -7.49 C:92 15.96 -13.93 C:58 18.35 -6.77 C:37 17.20 -11.79 C:50 17.20 -13.23 31 1 -2 32 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 7 30 1 8 30 1 9 22 2 10 23 2 11 13 1 11 24 2 12 18 1 12 26 2 13 14 1 14 25 1 15 16 1 15 24 1 16 31 1 17 27 1 17 28 1 18 29 1 19 22 1 19 27 1 20 23 1 29 20 -1 21 28 1 21 30 1 25 32 1 26 27 1 26 31 1 28 30 1 29 32 1 31 32 1', 'C24H34O6', 418.269, 'C', 'np07_1551_1', 3811, '', '', '1', 1, NULL, NULL),
(15049, '', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:19]=[C:1]1[CH2:9][CH2:8][CH:7]=[C:6]([CH3:20])[CH2:5][CH2:4][C@H:3]([C:10](=[CH:11][CH2:12][CH:13]=[C:14]([CH3:16])[CH3:15])[CH2:17]O[C:17001]([CH3:17002])=O)[C@H:2]1[C:18](=O)O[CH3:18001]', 'C=C1CCC=C(C)CC[C@H](C(=CCC=C(C)C)COC(C)=O)[C@H]1C(=O)OC', '[CH2:120]=[C:144]1[CH2:33][CH2:29][CH:125]=[C:136]([CH3:18])[CH2:40][CH2:33][C@H:40]([C:140](=[CH:130][CH2:28][CH:121]=[C:134]([CH3:26])[CH3:18])[CH2:67]O[C:171]([CH3:21])=O)[C@H:62]1[C:173](=O)O[CH3:51]', '27 27 C:19 18.02 -16.40 C:18001 14.21 -14.83 C:16 18.96 -6.43 C:15 20.17 -8.51 C:17002 11.82 -12.09 C:20 22.65 -11.64 O 13.03 -14.13 O 16.60 -16.20 C:13 17.82 -8.51 C:11 16.60 -10.55 C:7 20.60 -13.41 C:12 17.82 -9.91 C:8 21.30 -14.73 C:9 20.10 -15.45 C:5 20.10 -11.40 C:4 18.72 -11.64 C:17 15.42 -12.75 O 15.42 -14.13 O 14.21 -12.09 C:14 18.96 -7.81 C:17001 13.03 -12.75 C:6 21.30 -12.09 C:1 18.72 -15.19 C:18 16.60 -14.83 C:10 16.60 -12.02 C:3 17.82 -12.75 C:2 17.82 -14.13 1 23 2 2 18 1 3 20 1 4 20 1 5 21 1 6 22 1 7 21 2 8 24 2 9 12 1 9 20 2 10 12 1 10 25 2 11 13 1 11 22 2 13 14 1 14 23 1 15 16 1 15 22 1 16 26 1 17 19 1 17 25 1 18 24 1 19 21 1 23 27 1 27 24 -2 26 25 -1 26 27 1', '27 27 C 18.02 -16.40 C 14.21 -14.83 C 18.96 -6.43 C 20.17 -8.51 C 11.82 -12.09 C 22.65 -11.64 O 13.03 -14.13 O 16.60 -16.20 C 17.82 -8.51 C 16.60 -10.55 C 20.60 -13.41 C 17.82 -9.91 C 21.30 -14.73 C 20.10 -15.45 C 20.10 -11.40 C 18.72 -11.64 C 15.42 -12.75 O 15.42 -14.13 O 14.21 -12.09 C 18.96 -7.81 C 13.03 -12.75 C 21.30 -12.09 C 18.72 -15.19 C 16.60 -14.83 C 16.60 -12.02 C 17.82 -12.75 C 17.82 -14.13 1 23 2 2 18 1 3 20 1 4 20 1 5 21 1 6 22 1 7 21 2 8 24 2 9 12 1 9 20 2 10 12 1 10 25 2 11 13 1 11 22 2 13 14 1 14 23 1 15 16 1 15 22 1 16 26 1 17 19 1 17 25 1 18 24 1 19 21 1 23 27 1 27 24 -2 26 25 -1 26 27 1', '27 27 C:120 18.02 -16.40 C:51 14.21 -14.83 C:26 18.96 -6.43 C:18 20.17 -8.51 C:21 11.82 -12.09 C:18 22.65 -11.64 O 13.03 -14.13 O 16.60 -16.20 C:121 17.82 -8.51 C:130 16.60 -10.55 C:125 20.60 -13.41 C:28 17.82 -9.91 C:29 21.30 -14.73 C:33 20.10 -15.45 C:40 20.10 -11.40 C:33 18.72 -11.64 C:67 15.42 -12.75 O 15.42 -14.13 O 14.21 -12.09 C:134 18.96 -7.81 C:171 13.03 -12.75 C:136 21.30 -12.09 C:144 18.72 -15.19 C:173 16.60 -14.83 C:140 16.60 -12.02 C:40 17.82 -12.75 C:62 17.82 -14.13 1 23 2 2 18 1 3 20 1 4 20 1 5 21 1 6 22 1 7 21 2 8 24 2 9 12 1 9 20 2 10 12 1 10 25 2 11 13 1 11 22 2 13 14 1 14 23 1 15 16 1 15 22 1 16 26 1 17 19 1 17 25 1 18 24 1 19 21 1 23 27 1 27 24 -2 26 25 -1 26 27 1', 'C23H34O4', 374.244, 'C', 'np07_1551_2', 3811, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15050, '', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:19]=[C:1]1[CH2:9][CH2:8][CH:7]=[C:6]([CH3:20])[CH2:5][CH2:4][C@H:3]([C:10](=[CH:11][CH:12]=[CH:13][C:14]([CH3:16])([CH3:15])O)[CH2:17]O[C:17001]([CH3:17002])=O)[C@H:2]1[CH:18](O[CH3:18002])O[CH3:18001]', 'C=C1CCC=C(C)CC[C@H](C(=CC=CC(C)(C)O)COC(C)=O)[C@H]1C(OC)OC', '[CH2:111]=[C:144]1[CH2:31][CH2:29][CH:124]=[C:135]([CH3:18])[CH2:40][CH2:36][C@H:44]([C:140](=[CH:127][CH:120]=[CH:144][C:71]([CH3:29])([CH3:29])O)[CH2:66]O[C:171]([CH3:21])=O)[C@H:56]1[CH:105](O[CH3:55])O[CH3:56]', '29 29 C:19 18.03 -16.18 C:18002 15.39 -16.68 C:18001 14.22 -14.61 C:17002 11.84 -11.89 C:20 22.67 -11.44 C:16 18.97 -6.21 C:15 20.19 -8.30 O 13.04 -13.92 O 20.19 -6.87 C:12 17.83 -9.71 C:11 16.60 -10.35 C:7 20.62 -13.20 C:13 17.83 -8.30 C:8 21.32 -14.52 C:9 20.12 -15.23 C:5 20.12 -11.20 C:4 18.73 -11.44 C:17 15.39 -12.55 O 16.60 -15.98 O 15.39 -13.92 O 14.22 -11.89 C:17001 13.04 -12.55 C:6 21.32 -11.89 C:1 18.73 -14.97 C:10 16.60 -11.82 C:3 17.83 -12.55 C:18 16.60 -14.61 C:2 17.83 -13.92 C:14 18.97 -7.60 1 24 2 2 19 1 3 20 1 4 22 1 5 23 1 6 29 1 7 29 1 8 22 2 9 29 1 10 11 1 10 13 2 11 25 2 12 14 1 12 23 2 13 29 1 14 15 1 15 24 1 16 17 1 16 23 1 17 26 1 18 21 1 18 25 1 19 27 1 20 27 1 21 22 1 24 28 1 26 25 -1 26 28 1 28 27 -2', '29 29 C 18.03 -16.18 C 15.39 -16.68 C 14.22 -14.61 C 11.84 -11.89 C 22.67 -11.44 C 18.97 -6.21 C 20.19 -8.30 O 13.04 -13.92 O 20.19 -6.87 C 17.83 -9.71 C 16.60 -10.35 C 20.62 -13.20 C 17.83 -8.30 C 21.32 -14.52 C 20.12 -15.23 C 20.12 -11.20 C 18.73 -11.44 C 15.39 -12.55 O 16.60 -15.98 O 15.39 -13.92 O 14.22 -11.89 C 13.04 -12.55 C 21.32 -11.89 C 18.73 -14.97 C 16.60 -11.82 C 17.83 -12.55 C 16.60 -14.61 C 17.83 -13.92 C 18.97 -7.60 1 24 2 2 19 1 3 20 1 4 22 1 5 23 1 6 29 1 7 29 1 8 22 2 9 29 1 10 11 1 10 13 2 11 25 2 12 14 1 12 23 2 13 29 1 14 15 1 15 24 1 16 17 1 16 23 1 17 26 1 18 21 1 18 25 1 19 27 1 20 27 1 21 22 1 24 28 1 26 25 -1 26 28 1 28 27 -2', '29 29 C:111 18.03 -16.18 C:55 15.39 -16.68 C:56 14.22 -14.61 C:21 11.84 -11.89 C:18 22.67 -11.44 C:29 18.97 -6.21 C:29 20.19 -8.30 O 13.04 -13.92 O 20.19 -6.87 C:120 17.83 -9.71 C:127 16.60 -10.35 C:124 20.62 -13.20 C:144 17.83 -8.30 C:29 21.32 -14.52 C:31 20.12 -15.23 C:40 20.12 -11.20 C:36 18.73 -11.44 C:66 15.39 -12.55 O 16.60 -15.98 O 15.39 -13.92 O 14.22 -11.89 C:171 13.04 -12.55 C:135 21.32 -11.89 C:144 18.73 -14.97 C:140 16.60 -11.82 C:44 17.83 -12.55 C:105 16.60 -14.61 C:56 17.83 -13.92 C:71 18.97 -7.60 1 24 2 2 19 1 3 20 1 4 22 1 5 23 1 6 29 1 7 29 1 8 22 2 9 29 1 10 11 1 10 13 2 11 25 2 12 14 1 12 23 2 13 29 1 14 15 1 15 24 1 16 17 1 16 23 1 17 26 1 18 21 1 18 25 1 19 27 1 20 27 1 21 22 1 24 28 1 26 25 -1 26 28 1 28 27 -2', 'C24H38O5', 406.254, 'C', 'np07_1551_3', 3811, '', '', '1', 1, NULL, NULL),
(15051, '', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:19]=[C:1]1[CH2:9][CH2:8][CH:7]=[C:6]([CH3:20])[CH2:5][CH2:4][C@H:3]([C:10](=[CH:11][CH:12]=[CH:13][C:14]([CH3:16])([CH3:15])O)[CH2:17]O[C:17001]([CH3:17002])=O)[C@H:2]1[C:18](=O)O[CH3:18001]', 'C=C1CCC=C(C)CC[C@H](C(=CC=CC(C)(C)O)COC(C)=O)[C@H]1C(=O)OC', '[CH2:120]=[C:145]1[CH2:33][CH2:29][CH:125]=[C:136]([CH3:19])[CH2:40][CH2:36][C@H:44]([C:140](=[CH:128][CH:121]=[CH:144][C:72]([CH3:30])([CH3:30])O)[CH2:67]O[C:170]([CH3:21])=O)[C@H:62]1[C:172](=O)O[CH3:51]', '28 28 C:19 17.99 -16.47 C:18001 14.18 -14.90 C:17002 11.81 -12.19 C:20 22.64 -11.74 C:16 14.18 -6.36 C:15 13.00 -8.45 O 13.00 -14.21 O 16.56 -16.27 O 13.00 -7.05 C:12 15.35 -9.86 C:11 16.56 -10.65 C:7 20.58 -13.49 C:13 15.35 -8.45 C:8 21.28 -14.81 C:9 20.08 -15.52 C:5 20.08 -11.50 C:4 18.69 -11.74 C:17 15.35 -12.85 O 15.35 -14.21 O 14.18 -12.19 C:17001 13.00 -12.85 C:6 21.28 -12.19 C:1 18.69 -15.26 C:18 16.56 -14.90 C:10 16.56 -12.12 C:3 17.79 -12.85 C:2 17.79 -14.21 C:14 14.18 -7.76 1 23 2 2 19 1 3 21 1 4 22 1 5 28 1 6 28 1 7 21 2 8 24 2 9 28 1 10 11 1 10 13 2 11 25 2 12 14 1 12 22 2 13 28 1 14 15 1 15 23 1 16 17 1 16 22 1 17 26 1 18 20 1 18 25 1 19 24 1 20 21 1 23 27 1 27 24 -2 26 25 -1 26 27 1', '28 28 C 17.99 -16.47 C 14.18 -14.90 C 11.81 -12.19 C 22.64 -11.74 C 14.18 -6.36 C 13.00 -8.45 O 13.00 -14.21 O 16.56 -16.27 O 13.00 -7.05 C 15.35 -9.86 C 16.56 -10.65 C 20.58 -13.49 C 15.35 -8.45 C 21.28 -14.81 C 20.08 -15.52 C 20.08 -11.50 C 18.69 -11.74 C 15.35 -12.85 O 15.35 -14.21 O 14.18 -12.19 C 13.00 -12.85 C 21.28 -12.19 C 18.69 -15.26 C 16.56 -14.90 C 16.56 -12.12 C 17.79 -12.85 C 17.79 -14.21 C 14.18 -7.76 1 23 2 2 19 1 3 21 1 4 22 1 5 28 1 6 28 1 7 21 2 8 24 2 9 28 1 10 11 1 10 13 2 11 25 2 12 14 1 12 22 2 13 28 1 14 15 1 15 23 1 16 17 1 16 22 1 17 26 1 18 20 1 18 25 1 19 24 1 20 21 1 23 27 1 27 24 -2 26 25 -1 26 27 1', '28 28 C:120 17.99 -16.47 C:51 14.18 -14.90 C:21 11.81 -12.19 C:19 22.64 -11.74 C:30 14.18 -6.36 C:30 13.00 -8.45 O 13.00 -14.21 O 16.56 -16.27 O 13.00 -7.05 C:121 15.35 -9.86 C:128 16.56 -10.65 C:125 20.58 -13.49 C:144 15.35 -8.45 C:29 21.28 -14.81 C:33 20.08 -15.52 C:40 20.08 -11.50 C:36 18.69 -11.74 C:67 15.35 -12.85 O 15.35 -14.21 O 14.18 -12.19 C:170 13.00 -12.85 C:136 21.28 -12.19 C:145 18.69 -15.26 C:172 16.56 -14.90 C:140 16.56 -12.12 C:44 17.79 -12.85 C:62 17.79 -14.21 C:72 14.18 -7.76 1 23 2 2 19 1 3 21 1 4 22 1 5 28 1 6 28 1 7 21 2 8 24 2 9 28 1 10 11 1 10 13 2 11 25 2 12 14 1 12 22 2 13 28 1 14 15 1 15 23 1 16 17 1 16 22 1 17 26 1 18 20 1 18 25 1 19 24 1 20 21 1 23 27 1 27 24 -2 26 25 -1 26 27 1', 'C23H34O5', 390.243, 'C', 'np07_1551_4', 3811, '', '', '1', 1, NULL, NULL),
(15052, 'Xenimanadin A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][C@H:8](O)[CH2:9][C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O[CH3:18001])O[C@H:17](O[CH3:17001])[C:10]2=[CH:11][CH:12]=[CH:13][C:14]([CH3:15])([CH3:16])O[CH3:14001]', '[H][C@]12CCC(C)=C[C@H](O)CC(=C)[C@]1([H])[C@@H](OC)O[C@H](OC)C2=CC=CC(C)(C)OC', '[H][C@:51]12[CH2:36][CH2:41][C:134]([CH3:18])=[CH:132][C@H:68](O)[CH2:47][C:151](=[CH2:113])[C@:56]1([H])[C@@H:105](O[CH3:57])O[C@H:100](O[CH3:56])[C:140]2=[CH:129][CH:126]=[CH:141][C:75]([CH3:26])([CH3:26])O[CH3:51]', '30 31 H 17.28 -11.86 H 17.28 -15.36 C:19 17.48 -16.59 C:17001 12.31 -12.83 C:18001 14.82 -17.10 C:14001 12.31 -5.75 C:20 22.15 -11.78 C:15 12.31 -8.60 C:16 13.54 -6.45 O 22.15 -15.36 C:12 14.82 -10.02 C:11 16.04 -10.73 C:13 14.82 -8.60 C:7 20.08 -13.57 C:5 19.57 -11.54 C:4 18.20 -11.78 C:9 19.57 -15.63 O 13.54 -12.16 O 16.04 -16.39 O 12.31 -7.16 O 14.82 -14.30 C:6 20.80 -12.26 C:1 18.20 -15.36 C:10 16.04 -12.16 C:8 20.80 -14.90 C:17 14.82 -12.83 C:18 16.04 -14.99 C:14 13.54 -7.87 C:3 17.28 -12.83 C:2 17.28 -14.30 29 1 -2 30 2 -1 3 23 2 4 18 1 5 19 1 6 20 1 7 22 1 8 28 1 9 28 1 25 10 -2 11 12 1 11 13 2 12 24 2 13 28 1 14 22 2 14 25 1 15 16 1 15 22 1 16 29 1 17 23 1 17 25 1 26 18 -2 27 19 -1 20 28 1 21 26 1 21 27 1 23 30 1 24 26 1 24 29 1 27 30 1 29 30 1', '30 31 H 17.28 -11.86 H 17.28 -15.36 C 17.48 -16.59 C 12.31 -12.83 C 14.82 -17.10 C 12.31 -5.75 C 22.15 -11.78 C 12.31 -8.60 C 13.54 -6.45 O 22.15 -15.36 C 14.82 -10.02 C 16.04 -10.73 C 14.82 -8.60 C 20.08 -13.57 C 19.57 -11.54 C 18.20 -11.78 C 19.57 -15.63 O 13.54 -12.16 O 16.04 -16.39 O 12.31 -7.16 O 14.82 -14.30 C 20.80 -12.26 C 18.20 -15.36 C 16.04 -12.16 C 20.80 -14.90 C 14.82 -12.83 C 16.04 -14.99 C 13.54 -7.87 C 17.28 -12.83 C 17.28 -14.30 29 1 -2 30 2 -1 3 23 2 4 18 1 5 19 1 6 20 1 7 22 1 8 28 1 9 28 1 25 10 -2 11 12 1 11 13 2 12 24 2 13 28 1 14 22 2 14 25 1 15 16 1 15 22 1 16 29 1 17 23 1 17 25 1 26 18 -2 27 19 -1 20 28 1 21 26 1 21 27 1 23 30 1 24 26 1 24 29 1 27 30 1 29 30 1', '30 31 H 17.28 -11.86 H 17.28 -15.36 C:113 17.48 -16.59 C:56 12.31 -12.83 C:57 14.82 -17.10 C:51 12.31 -5.75 C:18 22.15 -11.78 C:26 12.31 -8.60 C:26 13.54 -6.45 O 22.15 -15.36 C:126 14.82 -10.02 C:129 16.04 -10.73 C:141 14.82 -8.60 C:132 20.08 -13.57 C:41 19.57 -11.54 C:36 18.20 -11.78 C:47 19.57 -15.63 O 13.54 -12.16 O 16.04 -16.39 O 12.31 -7.16 O 14.82 -14.30 C:134 20.80 -12.26 C:151 18.20 -15.36 C:140 16.04 -12.16 C:68 20.80 -14.90 C:100 14.82 -12.83 C:105 16.04 -14.99 C:75 13.54 -7.87 C:51 17.28 -12.83 C:56 17.28 -14.30 29 1 -2 30 2 -1 3 23 2 4 18 1 5 19 1 6 20 1 7 22 1 8 28 1 9 28 1 25 10 -2 11 12 1 11 13 2 12 24 2 13 28 1 14 22 2 14 25 1 15 16 1 15 22 1 16 29 1 17 23 1 17 25 1 26 18 -2 27 19 -1 20 28 1 21 26 1 21 27 1 23 30 1 24 26 1 24 29 1 27 30 1 29 30 1', 'C23H36O5', 392.259, 'C', 'tt08_3141_1', 3812, '', '11', '1', 1, NULL, NULL),
(15053, 'Xenimanadin B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@:6]1([CH3:20])O[C@H:7]1[C@H:8](O)[CH2:9][C:1](=[CH2:19])[C@:2]2([H])[C@@H:18](O[CH3:18001])O[C@H:17](O[CH3:17001])[C:10]3=[CH:11][CH:12]=[CH:13][C:14]([CH3:16])([CH3:15])O[CH3:14001]', '[H][C@]23CC[C@]1(C)O[C@H]1[C@H](O)CC(=C)[C@]2([H])[C@@H](OC)O[C@H](OC)C3=CC=CC(C)(C)OC', '[H][C@:52]23[CH2:36][CH2:41][C@:61]1([CH3:18])O[C@H:67]1[C@H:69](O)[CH2:45][C:150](=[CH2:114])[C@:55]2([H])[C@@H:104](O[CH3:57])O[C@H:100](O[CH3:55])[C:136]3=[CH:129][CH:126]=[CH:141][C:76]([CH3:26])([CH3:26])O[CH3:51]', '31 33 H 17.31 -11.84 H 17.31 -15.34 C:19 17.51 -16.56 C:17001 12.35 -12.81 C:18001 14.85 -17.07 C:14001 12.35 -5.74 C:16 13.57 -6.44 C:15 12.35 -8.59 C:20 22.17 -11.76 O 22.17 -15.34 C:12 14.85 -10.00 C:11 16.07 -10.71 C:13 14.85 -8.59 C:4 18.23 -11.76 C:5 19.59 -11.52 C:9 19.59 -15.60 O 13.57 -12.14 O 16.07 -16.36 O 12.35 -7.15 O 14.85 -14.28 O 21.50 -13.55 C:1 18.23 -15.34 C:10 16.07 -12.14 C:8 20.82 -14.88 C:17 14.85 -12.81 C:18 16.07 -14.97 C:7 20.10 -13.55 C:14 13.57 -7.86 C:3 17.31 -12.81 C:2 17.31 -14.28 C:6 20.82 -12.24 29 1 -2 30 2 -1 3 22 2 4 17 1 5 18 1 6 19 1 7 28 1 8 28 1 31 9 -1 24 10 -2 11 12 1 11 13 2 12 23 2 13 28 1 14 15 1 14 29 1 15 31 1 16 22 1 16 24 1 25 17 -2 26 18 -1 19 28 1 20 25 1 20 26 1 27 21 -1 21 31 1 22 30 1 23 25 1 23 29 1 24 27 1 26 30 1 27 31 1 29 30 1', '31 33 H 17.31 -11.84 H 17.31 -15.34 C 17.51 -16.56 C 12.35 -12.81 C 14.85 -17.07 C 12.35 -5.74 C 13.57 -6.44 C 12.35 -8.59 C 22.17 -11.76 O 22.17 -15.34 C 14.85 -10.00 C 16.07 -10.71 C 14.85 -8.59 C 18.23 -11.76 C 19.59 -11.52 C 19.59 -15.60 O 13.57 -12.14 O 16.07 -16.36 O 12.35 -7.15 O 14.85 -14.28 O 21.50 -13.55 C 18.23 -15.34 C 16.07 -12.14 C 20.82 -14.88 C 14.85 -12.81 C 16.07 -14.97 C 20.10 -13.55 C 13.57 -7.86 C 17.31 -12.81 C 17.31 -14.28 C 20.82 -12.24 29 1 -2 30 2 -1 3 22 2 4 17 1 5 18 1 6 19 1 7 28 1 8 28 1 31 9 -1 24 10 -2 11 12 1 11 13 2 12 23 2 13 28 1 14 15 1 14 29 1 15 31 1 16 22 1 16 24 1 25 17 -2 26 18 -1 19 28 1 20 25 1 20 26 1 27 21 -1 21 31 1 22 30 1 23 25 1 23 29 1 24 27 1 26 30 1 27 31 1 29 30 1', '31 33 H 17.31 -11.84 H 17.31 -15.34 C:114 17.51 -16.56 C:55 12.35 -12.81 C:57 14.85 -17.07 C:51 12.35 -5.74 C:26 13.57 -6.44 C:26 12.35 -8.59 C:18 22.17 -11.76 O 22.17 -15.34 C:126 14.85 -10.00 C:129 16.07 -10.71 C:141 14.85 -8.59 C:36 18.23 -11.76 C:41 19.59 -11.52 C:45 19.59 -15.60 O 13.57 -12.14 O 16.07 -16.36 O 12.35 -7.15 O 14.85 -14.28 O 21.50 -13.55 C:150 18.23 -15.34 C:136 16.07 -12.14 C:69 20.82 -14.88 C:100 14.85 -12.81 C:104 16.07 -14.97 C:67 20.10 -13.55 C:76 13.57 -7.86 C:52 17.31 -12.81 C:55 17.31 -14.28 C:61 20.82 -12.24 29 1 -2 30 2 -1 3 22 2 4 17 1 5 18 1 6 19 1 7 28 1 8 28 1 31 9 -1 24 10 -2 11 12 1 11 13 2 12 23 2 13 28 1 14 15 1 14 29 1 15 31 1 16 22 1 16 24 1 25 17 -2 26 18 -1 19 28 1 20 25 1 20 26 1 27 21 -1 21 31 1 22 30 1 23 25 1 23 29 1 24 27 1 26 30 1 27 31 1 29 30 1', 'C23H36O6', 408.258, 'C', 'tt08_3141_2', 3812, '', '11', '1', 1, NULL, NULL),
(15054, 'Xenimanadin C', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@:6]1([CH3:20])O[C@H:7]1[CH2:8][CH2:9][C:1](=[CH2:19])[C@:2]2([H])[C@@H:18](O[CH3:18001])O[C@H:17](O[CH3:17001])[C:10]3=[CH:11][CH:12]=[CH:13][C:14]([CH3:15])([CH3:16])O[CH3:14001]', '[H][C@]23CC[C@]1(C)O[C@H]1CCC(=C)[C@]2([H])[C@@H](OC)O[C@H](OC)C3=CC=CC(C)(C)OC', '[H][C@:52]23[CH2:35][CH2:41][C@:60]1([CH3:18])O[C@H:62]1[CH2:28][CH2:34][C:139](=[CH2:106])[C@:54]2([H])[C@@H:104](O[CH3:57])O[C@H:100](O[CH3:55])[C:136]3=[CH:129][CH:126]=[CH:141][C:76]([CH3:26])([CH3:30])O[CH3:51]', '30 32 H 17.32 -11.85 H 17.32 -15.35 C:19 17.52 -16.57 C:17001 12.36 -12.82 C:18001 14.86 -17.08 C:14001 12.36 -5.74 C:15 12.36 -8.60 C:16 13.58 -6.44 C:20 22.19 -11.77 C:12 14.86 -10.01 C:11 16.08 -10.72 C:13 14.86 -8.60 C:9 19.60 -15.61 C:8 20.84 -14.89 C:4 18.24 -11.77 C:5 19.60 -11.53 O 13.58 -12.15 O 16.08 -16.37 O 12.36 -7.16 O 14.86 -14.29 O 21.52 -13.56 C:1 18.24 -15.35 C:10 16.08 -12.15 C:17 14.86 -12.82 C:7 20.11 -13.56 C:18 16.08 -14.98 C:14 13.58 -7.87 C:3 17.32 -12.82 C:6 20.84 -12.25 C:2 17.32 -14.29 28 1 -2 30 2 -1 3 22 2 4 17 1 5 18 1 6 19 1 7 27 1 8 27 1 29 9 -1 10 11 1 10 12 2 11 23 2 12 27 1 13 14 1 13 22 1 14 25 1 15 16 1 15 28 1 16 29 1 24 17 -2 26 18 -1 19 27 1 20 24 1 20 26 1 25 21 -1 21 29 1 22 30 1 23 24 1 23 28 1 25 29 1 26 30 1 28 30 1', '30 32 H 17.32 -11.85 H 17.32 -15.35 C 17.52 -16.57 C 12.36 -12.82 C 14.86 -17.08 C 12.36 -5.74 C 12.36 -8.60 C 13.58 -6.44 C 22.19 -11.77 C 14.86 -10.01 C 16.08 -10.72 C 14.86 -8.60 C 19.60 -15.61 C 20.84 -14.89 C 18.24 -11.77 C 19.60 -11.53 O 13.58 -12.15 O 16.08 -16.37 O 12.36 -7.16 O 14.86 -14.29 O 21.52 -13.56 C 18.24 -15.35 C 16.08 -12.15 C 14.86 -12.82 C 20.11 -13.56 C 16.08 -14.98 C 13.58 -7.87 C 17.32 -12.82 C 20.84 -12.25 C 17.32 -14.29 28 1 -2 30 2 -1 3 22 2 4 17 1 5 18 1 6 19 1 7 27 1 8 27 1 29 9 -1 10 11 1 10 12 2 11 23 2 12 27 1 13 14 1 13 22 1 14 25 1 15 16 1 15 28 1 16 29 1 24 17 -2 26 18 -1 19 27 1 20 24 1 20 26 1 25 21 -1 21 29 1 22 30 1 23 24 1 23 28 1 25 29 1 26 30 1 28 30 1', '30 32 H 17.32 -11.85 H 17.32 -15.35 C:106 17.52 -16.57 C:55 12.36 -12.82 C:57 14.86 -17.08 C:51 12.36 -5.74 C:26 12.36 -8.60 C:30 13.58 -6.44 C:18 22.19 -11.77 C:126 14.86 -10.01 C:129 16.08 -10.72 C:141 14.86 -8.60 C:34 19.60 -15.61 C:28 20.84 -14.89 C:35 18.24 -11.77 C:41 19.60 -11.53 O 13.58 -12.15 O 16.08 -16.37 O 12.36 -7.16 O 14.86 -14.29 O 21.52 -13.56 C:139 18.24 -15.35 C:136 16.08 -12.15 C:100 14.86 -12.82 C:62 20.11 -13.56 C:104 16.08 -14.98 C:76 13.58 -7.87 C:52 17.32 -12.82 C:60 20.84 -12.25 C:54 17.32 -14.29 28 1 -2 30 2 -1 3 22 2 4 17 1 5 18 1 6 19 1 7 27 1 8 27 1 29 9 -1 10 11 1 10 12 2 11 23 2 12 27 1 13 14 1 13 22 1 14 25 1 15 16 1 15 28 1 16 29 1 24 17 -2 26 18 -1 19 27 1 20 24 1 20 26 1 25 21 -1 21 29 1 22 30 1 23 24 1 23 28 1 25 29 1 26 30 1 28 30 1', 'C23H36O5', 392.259, 'C', 'tt08_3141_3', 3812, '', '11', '1', 1, NULL, NULL),
(15055, 'Xenimanadin D', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]12[CH2:4][CH2:5][C:6]([CH3:20])=[CH:7][C:8](=O)[CH2:9][C:1](=[CH2:19])[C@:2]1([H])[C@@H:18](O[CH3:18001])O[C@H:17](O[CH3:17001])[C:10]2=[CH:11][CH:12]=[CH:13][C:14]([CH3:16])([CH3:15])O[CH3:14001]', '[H][C@]12CCC(C)=CC(=O)CC(=C)[C@]1([H])[C@@H](OC)O[C@H](OC)C2=CC=CC(C)(C)OC', '[H][C@:51]12[CH2:33][CH2:30][C:147]([CH3:27])=[CH:130][C:203](=O)[CH2:52][C:143](=[CH2:116])[C@:53]1([H])[C@@H:100](O[CH3:58])O[C@H:98](O[CH3:55])[C:139]2=[CH:129][CH:127]=[CH:141][C:75]([CH3:26])([CH3:26])O[CH3:51]', '30 31 H 17.37 -11.71 H 17.37 -15.38 C:19 17.58 -16.55 C:17001 12.45 -12.78 C:18001 14.93 -17.07 C:14001 12.45 -5.73 C:20 22.01 -11.28 C:16 13.67 -6.39 C:15 12.45 -8.54 O 22.01 -15.79 C:12 14.93 -9.97 C:11 16.13 -10.68 C:13 14.93 -8.54 C:7 21.43 -13.54 C:5 19.71 -11.48 C:9 19.71 -15.59 C:4 18.31 -11.73 O 13.67 -12.10 O 16.14 -16.36 O 12.45 -7.13 O 14.93 -14.25 C:6 20.94 -12.19 C:8 20.94 -14.88 C:1 18.31 -15.33 C:10 16.13 -12.10 C:17 14.93 -12.81 C:18 16.13 -14.96 C:14 13.67 -7.83 C:3 17.37 -12.81 C:2 17.37 -14.25 29 1 -2 30 2 -1 3 24 2 4 18 1 5 19 1 6 20 1 7 22 1 8 28 1 9 28 1 10 23 2 11 12 1 11 13 2 12 25 2 13 28 1 14 22 2 14 23 1 15 17 1 15 22 1 16 23 1 16 24 1 17 29 1 26 18 -2 27 19 -1 20 28 1 21 26 1 21 27 1 24 30 1 25 26 1 25 29 1 27 30 1 29 30 1', '30 31 H 17.37 -11.71 H 17.37 -15.38 C 17.58 -16.55 C 12.45 -12.78 C 14.93 -17.07 C 12.45 -5.73 C 22.01 -11.28 C 13.67 -6.39 C 12.45 -8.54 O 22.01 -15.79 C 14.93 -9.97 C 16.13 -10.68 C 14.93 -8.54 C 21.43 -13.54 C 19.71 -11.48 C 19.71 -15.59 C 18.31 -11.73 O 13.67 -12.10 O 16.14 -16.36 O 12.45 -7.13 O 14.93 -14.25 C 20.94 -12.19 C 20.94 -14.88 C 18.31 -15.33 C 16.13 -12.10 C 14.93 -12.81 C 16.13 -14.96 C 13.67 -7.83 C 17.37 -12.81 C 17.37 -14.25 29 1 -2 30 2 -1 3 24 2 4 18 1 5 19 1 6 20 1 7 22 1 8 28 1 9 28 1 10 23 2 11 12 1 11 13 2 12 25 2 13 28 1 14 22 2 14 23 1 15 17 1 15 22 1 16 23 1 16 24 1 17 29 1 26 18 -2 27 19 -1 20 28 1 21 26 1 21 27 1 24 30 1 25 26 1 25 29 1 27 30 1 29 30 1', '30 31 H 17.37 -11.71 H 17.37 -15.38 C:116 17.58 -16.55 C:55 12.45 -12.78 C:58 14.93 -17.07 C:51 12.45 -5.73 C:27 22.01 -11.28 C:26 13.67 -6.39 C:26 12.45 -8.54 O 22.01 -15.79 C:127 14.93 -9.97 C:129 16.13 -10.68 C:141 14.93 -8.54 C:130 21.43 -13.54 C:30 19.71 -11.48 C:52 19.71 -15.59 C:33 18.31 -11.73 O 13.67 -12.10 O 16.14 -16.36 O 12.45 -7.13 O 14.93 -14.25 C:147 20.94 -12.19 C:203 20.94 -14.88 C:143 18.31 -15.33 C:139 16.13 -12.10 C:98 14.93 -12.81 C:100 16.13 -14.96 C:75 13.67 -7.83 C:51 17.37 -12.81 C:53 17.37 -14.25 29 1 -2 30 2 -1 3 24 2 4 18 1 5 19 1 6 20 1 7 22 1 8 28 1 9 28 1 10 23 2 11 12 1 11 13 2 12 25 2 13 28 1 14 22 2 14 23 1 15 17 1 15 22 1 16 23 1 16 24 1 17 29 1 26 18 -2 27 19 -1 20 28 1 21 26 1 21 27 1 24 30 1 25 26 1 25 29 1 27 30 1 29 30 1', 'C23H34O5', 390.259, 'C', 'tt08_3141_4', 3812, '', '11', '1', 1, NULL, NULL),
(15056, 'Novaxenicin A', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:12]5([C@H:13]1O[C:14]1([CH3:16])[CH3:15])[CH:11]=[C:10]3[C@@:17]([H])(O[CH2:18][C@@:2]4([H])[C:1](=[CH2:19])[CH2:9][C@H:8]2O[C@H:7]2[C@@:6]([CH3:20])(O)[CH2:5][CH2:4][C@:3]34[H])O5', '[H][C@]5([C@H]1OC1(C)C)C=C3[C@@]([H])(OC[C@@]4([H])C(=C)C[C@H]2O[C@H]2[C@@](C)(O)CC[C@]34[H])O5', '[H][C@:85]5([C@H:65]1O[C:59]1([CH3:24])[CH3:19])[CH:120]=[C:143]3[C@@:108]([H])(O[CH2:69][C@@:54]4([H])[C:142](=[CH2:119])[CH2:29][C@H:61]2O[C@H:62]2[C@@:72]([CH3:32])(O)[CH2:34][CH2:26][C@:35]34[H])O5', '29 33 H 15.17 -10.56 H 14.34 -12.27 H 17.69 -10.74 H 17.69 -14.50 C:19 17.90 -15.71 C:16 11.81 -7.11 C:15 11.81 -9.60 C:20 22.72 -10.99 O 21.84 -9.92 C:11 16.11 -9.74 C:5 20.07 -10.51 C:4 18.64 -10.74 C:9 20.07 -14.72 C:18 16.41 -14.07 O 15.17 -13.35 O 22.72 -13.72 O 13.23 -7.11 O 14.09 -10.91 C:1 18.64 -14.45 C:10 16.41 -11.14 C:8 21.33 -13.99 C:7 21.84 -12.61 C:13 13.95 -8.35 C:12 14.69 -9.60 C:14 12.53 -8.35 C:6 21.33 -11.24 C:17 15.17 -11.86 C:3 17.69 -11.86 C:2 17.69 -13.35 24 1 -2 27 2 -2 28 3 -2 29 4 -1 5 19 2 6 25 1 7 25 1 26 8 -1 26 9 -2 10 20 2 10 24 1 11 12 1 11 26 1 12 28 1 13 19 1 13 21 1 14 15 1 14 29 1 15 27 1 21 16 -2 22 16 -2 23 17 -2 17 25 1 18 24 1 18 27 1 19 29 1 20 27 1 20 28 1 21 22 1 22 26 1 23 24 1 23 25 1 28 29 1', '29 33 H 15.17 -10.56 H 14.34 -12.27 H 17.69 -10.74 H 17.69 -14.50 C 17.90 -15.71 C 11.81 -7.11 C 11.81 -9.60 C 22.72 -10.99 O 21.84 -9.92 C 16.11 -9.74 C 20.07 -10.51 C 18.64 -10.74 C 20.07 -14.72 C 16.41 -14.07 O 15.17 -13.35 O 22.72 -13.72 O 13.23 -7.11 O 14.09 -10.91 C 18.64 -14.45 C 16.41 -11.14 C 21.33 -13.99 C 21.84 -12.61 C 13.95 -8.35 C 14.69 -9.60 C 12.53 -8.35 C 21.33 -11.24 C 15.17 -11.86 C 17.69 -11.86 C 17.69 -13.35 24 1 -2 27 2 -2 28 3 -2 29 4 -1 5 19 2 6 25 1 7 25 1 26 8 -1 26 9 -2 10 20 2 10 24 1 11 12 1 11 26 1 12 28 1 13 19 1 13 21 1 14 15 1 14 29 1 15 27 1 21 16 -2 22 16 -2 23 17 -2 17 25 1 18 24 1 18 27 1 19 29 1 20 27 1 20 28 1 21 22 1 22 26 1 23 24 1 23 25 1 28 29 1', '29 33 H 15.17 -10.56 H 14.34 -12.27 H 17.69 -10.74 H 17.69 -14.50 C:119 17.90 -15.71 C:24 11.81 -7.11 C:19 11.81 -9.60 C:32 22.72 -10.99 O 21.84 -9.92 C:120 16.11 -9.74 C:34 20.07 -10.51 C:26 18.64 -10.74 C:29 20.07 -14.72 C:69 16.41 -14.07 O 15.17 -13.35 O 22.72 -13.72 O 13.23 -7.11 O 14.09 -10.91 C:142 18.64 -14.45 C:143 16.41 -11.14 C:61 21.33 -13.99 C:62 21.84 -12.61 C:65 13.95 -8.35 C:85 14.69 -9.60 C:59 12.53 -8.35 C:72 21.33 -11.24 C:108 15.17 -11.86 C:35 17.69 -11.86 C:54 17.69 -13.35 24 1 -2 27 2 -2 28 3 -2 29 4 -1 5 19 2 6 25 1 7 25 1 26 8 -1 26 9 -2 10 20 2 10 24 1 11 12 1 11 26 1 12 28 1 13 19 1 13 21 1 14 15 1 14 29 1 15 27 1 21 16 -2 22 16 -2 23 17 -2 17 25 1 18 24 1 18 27 1 19 29 1 20 27 1 20 28 1 21 22 1 22 26 1 23 24 1 23 25 1 28 29 1', 'C20H28O5', 348.243, 'C', 'tt06_12092_1', 3813, '', '11', '1', 1, NULL, NULL),
(15057, 'Novaxenicin B', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:12]4([CH:13](O)[C:14]([CH3:15])([CH3:16])O)[CH:11]=[C:10]2[C@@:17]([H])(O[CH2:18][C@@:2]3([H])[C:1](=[CH2:19])[CH2:9][C@H:8]1O[C@H:7]1[C@@:6]([CH3:20])(O)[CH2:5][CH2:4][C@:3]23[H])O4', '[H][C@]4(C(O)C(C)(C)O)C=C2[C@@]([H])(OC[C@@]3([H])C(=C)C[C@H]1O[C@H]1[C@@](C)(O)CC[C@]23[H])O4', '[H][C@:85]4([CH:65](O)[C:59]([CH3:19])([CH3:24])O)[CH:120]=[C:144]2[C@@:108]([H])(O[CH2:69][C@@:54]3([H])[C:142](=[CH2:119])[CH2:29][C@H:61]1O[C@H:62]1[C@@:72]([CH3:32])(O)[CH2:34][CH2:26][C@:35]23[H])O4', '30 33 H 15.47 -10.57 H 14.64 -12.29 H 17.99 -10.75 H 17.99 -14.52 C:19 18.20 -15.73 C:15 12.10 -9.61 C:16 12.10 -7.12 C:20 23.03 -11.00 O 14.92 -7.12 O 11.42 -8.36 O 22.15 -9.93 C:11 16.41 -9.75 C:5 20.37 -10.52 C:4 18.94 -10.75 C:9 20.37 -14.74 C:18 16.71 -14.09 O 15.47 -13.37 O 23.03 -13.74 O 14.39 -10.92 C:1 18.94 -14.52 C:10 16.71 -11.15 C:8 21.64 -14.01 C:13 14.25 -8.36 C:7 22.15 -12.63 C:14 12.83 -8.36 C:12 14.99 -9.61 C:6 21.64 -11.25 C:17 15.47 -11.87 C:3 17.99 -11.87 C:2 17.99 -13.37 26 1 -2 28 2 -2 29 3 -2 30 4 -1 5 20 2 6 25 1 7 25 1 27 8 -1 9 23 1 10 25 1 27 11 -2 12 21 2 12 26 1 13 14 1 13 27 1 14 29 1 15 20 1 15 22 1 16 17 1 16 30 1 17 28 1 22 18 -2 24 18 -2 19 26 1 19 28 1 20 30 1 21 28 1 21 29 1 22 24 1 23 25 1 23 26 1 24 27 1 29 30 1', '30 33 H 15.47 -10.57 H 14.64 -12.29 H 17.99 -10.75 H 17.99 -14.52 C 18.20 -15.73 C 12.10 -9.61 C 12.10 -7.12 C 23.03 -11.00 O 14.92 -7.12 O 11.42 -8.36 O 22.15 -9.93 C 16.41 -9.75 C 20.37 -10.52 C 18.94 -10.75 C 20.37 -14.74 C 16.71 -14.09 O 15.47 -13.37 O 23.03 -13.74 O 14.39 -10.92 C 18.94 -14.52 C 16.71 -11.15 C 21.64 -14.01 C 14.25 -8.36 C 22.15 -12.63 C 12.83 -8.36 C 14.99 -9.61 C 21.64 -11.25 C 15.47 -11.87 C 17.99 -11.87 C 17.99 -13.37 26 1 -2 28 2 -2 29 3 -2 30 4 -1 5 20 2 6 25 1 7 25 1 27 8 -1 9 23 1 10 25 1 27 11 -2 12 21 2 12 26 1 13 14 1 13 27 1 14 29 1 15 20 1 15 22 1 16 17 1 16 30 1 17 28 1 22 18 -2 24 18 -2 19 26 1 19 28 1 20 30 1 21 28 1 21 29 1 22 24 1 23 25 1 23 26 1 24 27 1 29 30 1', '30 33 H 15.47 -10.57 H 14.64 -12.29 H 17.99 -10.75 H 17.99 -14.52 C:119 18.20 -15.73 C:19 12.10 -9.61 C:24 12.10 -7.12 C:32 23.03 -11.00 O 14.92 -7.12 O 11.42 -8.36 O 22.15 -9.93 C:120 16.41 -9.75 C:34 20.37 -10.52 C:26 18.94 -10.75 C:29 20.37 -14.74 C:69 16.71 -14.09 O 15.47 -13.37 O 23.03 -13.74 O 14.39 -10.92 C:142 18.94 -14.52 C:144 16.71 -11.15 C:61 21.64 -14.01 C:65 14.25 -8.36 C:62 22.15 -12.63 C:59 12.83 -8.36 C:85 14.99 -9.61 C:72 21.64 -11.25 C:108 15.47 -11.87 C:35 17.99 -11.87 C:54 17.99 -13.37 26 1 -2 28 2 -2 29 3 -2 30 4 -1 5 20 2 6 25 1 7 25 1 27 8 -1 9 23 1 10 25 1 27 11 -2 12 21 2 12 26 1 13 14 1 13 27 1 14 29 1 15 20 1 15 22 1 16 17 1 16 30 1 17 28 1 22 18 -2 24 18 -2 19 26 1 19 28 1 20 30 1 21 28 1 21 29 1 22 24 1 23 25 1 23 26 1 24 27 1 29 30 1', 'C20H30O6', 366.242, 'C', 'tt06_12092_2', 3813, '', '11', '1', 1, NULL, NULL),
(15058, 'Novaxenicin C', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:12]3([CH:13](O)[C:14]([CH3:16])([CH3:15])O)[CH:11]=[C:10]([C@H:3]2[CH2:4][CH2:5][C@:6]([CH3:20])(O)[C@@H:7]1O[C@@H:8]1[CH2:9][C:1](=[CH2:19])[C@@H:2]2[CH2:18]O)[C:17](=O)O3', '[H][C@]3(C(O)C(C)(C)O)C=C([C@H]2CC[C@](C)(O)[C@@H]1O[C@@H]1CC(=C)[C@@H]2CO)C(=O)O3', '[H][C@:89]3([CH:78](O)[C:71]([CH3:26])([CH3:25])O)[CH:118]=[C:144]([C@H:36]2[CH2:29][CH2:35][C@:72]([CH3:32])(O)[C@@H:62]1O[C@@H:62]1[CH2:29][C:143](=[CH2:120])[C@@H:55]2[CH2:70]O)[C:107](=O)O3', '28 30 H 15.56 -10.62 C:19 18.23 -15.65 C:16 12.27 -7.24 C:15 12.27 -9.67 C:20 22.95 -11.04 O 15.56 -13.34 O 16.73 -15.41 O 15.02 -7.24 O 11.60 -8.45 O 22.09 -9.98 C:11 16.48 -9.80 C:18 16.73 -14.04 C:4 18.95 -10.79 C:5 20.35 -10.62 C:9 20.35 -14.68 O 14.51 -10.96 O 22.95 -13.70 C:1 18.95 -14.46 C:17 15.56 -11.89 C:10 16.73 -11.18 C:8 21.59 -13.97 C:13 14.37 -8.45 C:2 18.02 -13.34 C:3 18.02 -11.89 C:7 22.09 -12.62 C:14 12.98 -8.45 C:12 15.09 -9.67 C:6 21.59 -11.28 27 1 -2 2 18 2 3 26 1 4 26 1 28 5 -1 6 19 2 7 12 1 8 22 1 9 26 1 28 10 -2 11 20 2 11 27 1 23 12 -2 13 14 1 13 24 1 14 28 1 15 18 1 15 21 1 16 19 1 16 27 1 21 17 -2 25 17 -2 18 23 1 19 20 1 24 20 -1 21 25 1 22 26 1 22 27 1 23 24 1 25 28 1', '28 30 H 15.56 -10.62 C 18.23 -15.65 C 12.27 -7.24 C 12.27 -9.67 C 22.95 -11.04 O 15.56 -13.34 O 16.73 -15.41 O 15.02 -7.24 O 11.60 -8.45 O 22.09 -9.98 C 16.48 -9.80 C 16.73 -14.04 C 18.95 -10.79 C 20.35 -10.62 C 20.35 -14.68 O 14.51 -10.96 O 22.95 -13.70 C 18.95 -14.46 C 15.56 -11.89 C 16.73 -11.18 C 21.59 -13.97 C 14.37 -8.45 C 18.02 -13.34 C 18.02 -11.89 C 22.09 -12.62 C 12.98 -8.45 C 15.09 -9.67 C 21.59 -11.28 27 1 -2 2 18 2 3 26 1 4 26 1 28 5 -1 6 19 2 7 12 1 8 22 1 9 26 1 28 10 -2 11 20 2 11 27 1 23 12 -2 13 14 1 13 24 1 14 28 1 15 18 1 15 21 1 16 19 1 16 27 1 21 17 -2 25 17 -2 18 23 1 19 20 1 24 20 -1 21 25 1 22 26 1 22 27 1 23 24 1 25 28 1', '28 30 H 15.56 -10.62 C:120 18.23 -15.65 C:26 12.27 -7.24 C:25 12.27 -9.67 C:32 22.95 -11.04 O 15.56 -13.34 O 16.73 -15.41 O 15.02 -7.24 O 11.60 -8.45 O 22.09 -9.98 C:118 16.48 -9.80 C:70 16.73 -14.04 C:29 18.95 -10.79 C:35 20.35 -10.62 C:29 20.35 -14.68 O 14.51 -10.96 O 22.95 -13.70 C:143 18.95 -14.46 C:107 15.56 -11.89 C:144 16.73 -11.18 C:62 21.59 -13.97 C:78 14.37 -8.45 C:55 18.02 -13.34 C:36 18.02 -11.89 C:62 22.09 -12.62 C:71 12.98 -8.45 C:89 15.09 -9.67 C:72 21.59 -11.28 27 1 -2 2 18 2 3 26 1 4 26 1 28 5 -1 6 19 2 7 12 1 8 22 1 9 26 1 28 10 -2 11 20 2 11 27 1 23 12 -2 13 14 1 13 24 1 14 28 1 15 18 1 15 21 1 16 19 1 16 27 1 21 17 -2 25 17 -2 18 23 1 19 20 1 24 20 -1 21 25 1 22 26 1 22 27 1 23 24 1 25 28 1', 'C20H30O7', 382.218, 'D', 'tt06_12092_3', 3813, '', '11', '1', 1, NULL, NULL),
(15059, 'Novaxenicin D', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[CH2:19]=[C:1]3[CH2:9][C@H:8]1O[C@H:7]1[C@@:6]([CH3:20])(O)[CH2:5][CH2:4][C@H:3]([c:10]2[cH:11][c:12](=[CH:13][C:14]([CH3:16])([CH3:15])O)o[c:17]2=O)[C@H:2]3[CH2:18]O', 'C=C3C[C@H]1O[C@H]1[C@@](C)(O)CC[C@H](c2cc(=CC(C)(C)O)oc2=O)[C@H]3CO', '[CH2:120]=[C:144]3[CH2:27][C@H:60]1O[C@H:61]1[C@@:72]([CH3:32])(O)[CH2:34][CH2:28][C@H:32]([c:136]2[cH:138][c:147](=[CH:122][C:71]([CH3:31])([CH3:31])O)o[c:170]2=O)[C@H:54]3[CH2:64]O', '26 28 C:19 16.83 -16.23 C:16 13.00 -6.66 C:15 15.09 -7.87 C:20 21.49 -11.66 O 14.18 -13.94 O 15.34 -15.99 O 14.35 -6.66 O 20.64 -10.61 C:13 13.00 -9.09 C:11 15.09 -10.43 C:18 15.34 -14.63 C:4 17.53 -11.40 C:5 18.92 -11.23 C:9 18.92 -15.26 O 21.49 -14.29 O 13.14 -11.58 C:1 17.53 -15.05 C:10 15.34 -11.80 C:12 13.71 -10.30 C:17 14.18 -12.50 C:8 20.15 -14.56 C:2 16.62 -13.94 C:3 16.62 -12.50 C:7 20.64 -13.22 C:14 13.71 -7.87 C:6 20.15 -11.89 1 17 2 2 25 1 3 25 1 26 4 -1 5 20 2 6 11 1 7 25 1 26 8 -2 9 19 2 9 25 1 10 18 2 10 19 1 22 11 -2 12 13 1 12 23 1 13 26 1 14 17 1 14 21 1 21 15 -2 24 15 -2 16 19 1 16 20 1 17 22 1 18 20 1 23 18 -1 21 24 1 22 23 1 24 26 1', '26 28 C 16.83 -16.23 C 13.00 -6.66 C 15.09 -7.87 C 21.49 -11.66 O 14.18 -13.94 O 15.34 -15.99 O 14.35 -6.66 O 20.64 -10.61 C 13.00 -9.09 C 15.09 -10.43 C 15.34 -14.63 C 17.53 -11.40 C 18.92 -11.23 C 18.92 -15.26 O 21.49 -14.29 O 13.14 -11.58 C 17.53 -15.05 C 15.34 -11.80 C 13.71 -10.30 C 14.18 -12.50 C 20.15 -14.56 C 16.62 -13.94 C 16.62 -12.50 C 20.64 -13.22 C 13.71 -7.87 C 20.15 -11.89 1 17 2 2 25 1 3 25 1 26 4 -1 5 20 2 6 11 1 7 25 1 26 8 -2 9 19 2 9 25 1 10 18 2 10 19 1 22 11 -2 12 13 1 12 23 1 13 26 1 14 17 1 14 21 1 21 15 -2 24 15 -2 16 19 1 16 20 1 17 22 1 18 20 1 23 18 -1 21 24 1 22 23 1 24 26 1', '26 28 C:120 16.83 -16.23 C:31 13.00 -6.66 C:31 15.09 -7.87 C:32 21.49 -11.66 O 14.18 -13.94 O 15.34 -15.99 O 14.35 -6.66 O 20.64 -10.61 C:122 13.00 -9.09 C:138 15.09 -10.43 C:64 15.34 -14.63 C:28 17.53 -11.40 C:34 18.92 -11.23 C:27 18.92 -15.26 O 21.49 -14.29 O 13.14 -11.58 C:144 17.53 -15.05 C:136 15.34 -11.80 C:147 13.71 -10.30 C:170 14.18 -12.50 C:60 20.15 -14.56 C:54 16.62 -13.94 C:32 16.62 -12.50 C:61 20.64 -13.22 C:71 13.71 -7.87 C:72 20.15 -11.89 1 17 2 2 25 1 3 25 1 26 4 -1 5 20 2 6 11 1 7 25 1 26 8 -2 9 19 2 9 25 1 10 18 2 10 19 1 22 11 -2 12 13 1 12 23 1 13 26 1 14 17 1 14 21 1 21 15 -2 24 15 -2 16 19 1 16 20 1 17 22 1 18 20 1 23 18 -1 21 24 1 22 23 1 24 26 1', 'C20H28O6', 364.21, 'C', 'tt06_12092_4', 3813, '', '11', '1', 1, NULL, NULL),
(15060, 'Xeniolide I', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@@:2]24[CH2:18]O[C:17](=O)[C:10](=[CH:11][CH:12](O)[CH:13]1O[C:14]1([CH3:15])[CH3:16])[C@@:3]2([H])[CH2:4][CH2:5][C@:6]([CH3:20])(O)[C@@H:7]3O[C@@H:8]3[CH2:9][C:1]4=[CH2:19]', '[H][C@@]24COC(=O)C(=CC(O)C1OC1(C)C)[C@@]2([H])CC[C@](C)(O)[C@@H]3O[C@@H]3CC4=C', '[H][C@@:44]24[CH2:70]O[C:169](=O)[C:136](=[CH:141][CH:66](O)[CH:65]1O[C:60]1([CH3:19])[CH3:24])[C@@:36]2([H])[CH2:33][CH2:33][C@:71]([CH3:33])(O)[C@@H:63]3O[C@@H:59]3[CH2:35][C:144]4=[CH2:120]', '28 31 H 16.64 -15.29 H 16.64 -11.60 C:19 16.85 -16.48 C:15 18.97 -8.47 C:16 17.81 -6.32 C:20 21.58 -11.82 O 12.91 -11.99 O 17.81 -10.58 O 20.68 -10.77 C:11 15.38 -10.58 C:4 17.56 -11.60 C:5 18.97 -11.37 C:18 15.38 -14.87 C:9 18.97 -15.50 O 14.14 -14.16 O 21.58 -14.54 O 16.64 -7.06 C:1 17.56 -15.29 C:17 14.14 -12.71 C:10 15.38 -11.99 C:12 16.64 -9.86 C:8 20.19 -14.79 C:13 16.64 -8.47 C:7 20.68 -13.44 C:14 17.81 -7.73 C:2 16.64 -14.16 C:3 16.64 -12.71 C:6 20.19 -12.08 26 1 -1 27 2 -2 3 18 2 4 25 1 5 25 1 28 6 -1 7 19 2 8 21 1 28 9 -2 10 20 2 10 21 1 11 12 1 11 27 1 12 28 1 13 15 1 13 26 1 14 18 1 14 22 1 15 19 1 22 16 -2 24 16 -2 17 23 1 17 25 1 18 26 1 19 20 1 20 27 1 21 23 1 22 24 1 23 25 1 24 28 1 26 27 1', '28 31 H 16.64 -15.29 H 16.64 -11.60 C 16.85 -16.48 C 18.97 -8.47 C 17.81 -6.32 C 21.58 -11.82 O 12.91 -11.99 O 17.81 -10.58 O 20.68 -10.77 C 15.38 -10.58 C 17.56 -11.60 C 18.97 -11.37 C 15.38 -14.87 C 18.97 -15.50 O 14.14 -14.16 O 21.58 -14.54 O 16.64 -7.06 C 17.56 -15.29 C 14.14 -12.71 C 15.38 -11.99 C 16.64 -9.86 C 20.19 -14.79 C 16.64 -8.47 C 20.68 -13.44 C 17.81 -7.73 C 16.64 -14.16 C 16.64 -12.71 C 20.19 -12.08 26 1 -1 27 2 -2 3 18 2 4 25 1 5 25 1 28 6 -1 7 19 2 8 21 1 28 9 -2 10 20 2 10 21 1 11 12 1 11 27 1 12 28 1 13 15 1 13 26 1 14 18 1 14 22 1 15 19 1 22 16 -2 24 16 -2 17 23 1 17 25 1 18 26 1 19 20 1 20 27 1 21 23 1 22 24 1 23 25 1 24 28 1 26 27 1', '28 31 H 16.64 -15.29 H 16.64 -11.60 C:120 16.85 -16.48 C:19 18.97 -8.47 C:24 17.81 -6.32 C:33 21.58 -11.82 O 12.91 -11.99 O 17.81 -10.58 O 20.68 -10.77 C:141 15.38 -10.58 C:33 17.56 -11.60 C:33 18.97 -11.37 C:70 15.38 -14.87 C:35 18.97 -15.50 O 14.14 -14.16 O 21.58 -14.54 O 16.64 -7.06 C:144 17.56 -15.29 C:169 14.14 -12.71 C:136 15.38 -11.99 C:66 16.64 -9.86 C:59 20.19 -14.79 C:65 16.64 -8.47 C:63 20.68 -13.44 C:60 17.81 -7.73 C:44 16.64 -14.16 C:36 16.64 -12.71 C:71 20.19 -12.08 26 1 -1 27 2 -2 3 18 2 4 25 1 5 25 1 28 6 -1 7 19 2 8 21 1 28 9 -2 10 20 2 10 21 1 11 12 1 11 27 1 12 28 1 13 15 1 13 26 1 14 18 1 14 22 1 15 19 1 22 16 -2 24 16 -2 17 23 1 17 25 1 18 26 1 19 20 1 20 27 1 21 23 1 22 24 1 23 25 1 24 28 1 26 27 1', 'C20H28O6', 364.226, 'C', 'tt06_12092_5', 3813, '', '11', '1', 1, NULL, NULL),
(15061, 'Xeniolide J', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]23[CH2:4][CH2:5][C@:6]([CH3:20])(O)[C@@H:7]1O[C@@H:8]1[CH2:9][C:1](=[CH2:19])[C@:2]2([H])[CH2:18]O[C:17](=O)[C:10]3=[CH:11][CH:12](O[C:12001]([CH3:12002])=O)[CH:13]4O[C:14]4([CH3:15])[CH3:16]', '[H][C@]23CC[C@](C)(O)[C@@H]1O[C@@H]1CC(=C)[C@]2([H])COC(=O)C3=CC(OC(C)=O)C4OC4(C)C', '[H][C@:35]23[CH2:32][CH2:32][C@:71]([CH3:33])(O)[C@@H:63]1O[C@@H:59]1[CH2:34][C:143](=[CH2:117])[C@:45]2([H])[CH2:71]O[C:170](=O)[C:138]3=[CH:135][CH:69](O[C:170]([CH3:21])=O)[CH:63]4O[C:60]4([CH3:18])[CH3:25]', '31 34 H 16.65 -11.62 H 16.65 -15.31 C:19 16.86 -16.49 C:12002 20.04 -11.39 C:15 18.98 -8.49 C:16 17.82 -6.32 C:20 21.60 -11.84 O 19.34 -9.06 O 12.93 -12.01 O 20.69 -10.83 C:11 15.40 -10.60 C:4 17.57 -11.62 C:5 18.98 -11.39 C:18 15.40 -14.89 C:9 18.98 -15.52 O 14.16 -14.18 O 17.68 -10.83 O 21.60 -14.56 O 16.65 -7.07 C:12001 18.98 -10.42 C:1 17.57 -15.31 C:17 14.16 -12.73 C:10 15.40 -12.01 C:12 16.65 -9.88 C:8 20.20 -14.81 C:13 16.65 -8.49 C:7 20.69 -13.46 C:14 17.82 -7.75 C:3 16.65 -12.73 C:2 16.65 -14.18 C:6 20.20 -12.10 29 1 -2 30 2 -1 3 21 2 4 20 1 5 28 1 6 28 1 31 7 -1 8 20 2 9 22 2 31 10 -2 11 23 2 11 24 1 12 13 1 12 29 1 13 31 1 14 16 1 14 30 1 15 21 1 15 25 1 16 22 1 17 20 1 17 24 1 25 18 -2 27 18 -2 19 26 1 19 28 1 21 30 1 22 23 1 23 29 1 24 26 1 25 27 1 26 28 1 27 31 1 29 30 1', '31 34 H 16.65 -11.62 H 16.65 -15.31 C 16.86 -16.49 C 20.04 -11.39 C 18.98 -8.49 C 17.82 -6.32 C 21.60 -11.84 O 19.34 -9.06 O 12.93 -12.01 O 20.69 -10.83 C 15.40 -10.60 C 17.57 -11.62 C 18.98 -11.39 C 15.40 -14.89 C 18.98 -15.52 O 14.16 -14.18 O 17.68 -10.83 O 21.60 -14.56 O 16.65 -7.07 C 18.98 -10.42 C 17.57 -15.31 C 14.16 -12.73 C 15.40 -12.01 C 16.65 -9.88 C 20.20 -14.81 C 16.65 -8.49 C 20.69 -13.46 C 17.82 -7.75 C 16.65 -12.73 C 16.65 -14.18 C 20.20 -12.10 29 1 -2 30 2 -1 3 21 2 4 20 1 5 28 1 6 28 1 31 7 -1 8 20 2 9 22 2 31 10 -2 11 23 2 11 24 1 12 13 1 12 29 1 13 31 1 14 16 1 14 30 1 15 21 1 15 25 1 16 22 1 17 20 1 17 24 1 25 18 -2 27 18 -2 19 26 1 19 28 1 21 30 1 22 23 1 23 29 1 24 26 1 25 27 1 26 28 1 27 31 1 29 30 1', '31 34 H 16.65 -11.62 H 16.65 -15.31 C:117 16.86 -16.49 C:21 20.04 -11.39 C:18 18.98 -8.49 C:25 17.82 -6.32 C:33 21.60 -11.84 O 19.34 -9.06 O 12.93 -12.01 O 20.69 -10.83 C:135 15.40 -10.60 C:32 17.57 -11.62 C:32 18.98 -11.39 C:71 15.40 -14.89 C:34 18.98 -15.52 O 14.16 -14.18 O 17.68 -10.83 O 21.60 -14.56 O 16.65 -7.07 C:170 18.98 -10.42 C:143 17.57 -15.31 C:170 14.16 -12.73 C:138 15.40 -12.01 C:69 16.65 -9.88 C:59 20.20 -14.81 C:63 16.65 -8.49 C:63 20.69 -13.46 C:60 17.82 -7.75 C:35 16.65 -12.73 C:45 16.65 -14.18 C:71 20.20 -12.10 29 1 -2 30 2 -1 3 21 2 4 20 1 5 28 1 6 28 1 31 7 -1 8 20 2 9 22 2 31 10 -2 11 23 2 11 24 1 12 13 1 12 29 1 13 31 1 14 16 1 14 30 1 15 21 1 15 25 1 16 22 1 17 20 1 17 24 1 25 18 -2 27 18 -2 19 26 1 19 28 1 21 30 1 22 23 1 23 29 1 24 26 1 25 27 1 26 28 1 27 31 1 29 30 1', 'C22H30O7', 406.247, 'C', 'tt06_12092_6', 3813, '', '11', '1', 1, NULL, NULL),
(15062, 'Xeniolide K', '', 'Terpenoids', 'Diterpenoids', 'Xenicanes', '[H][C@:3]34[CH2:4][CH2:5][C@@:6]1([CH2:20]O1)[C@@H:7]2O[C@@H:8]2[CH2:9][C:1](=[CH2:19])[C@:2]3([H])[CH2:18]O[C:17](=O)[C:10]4=[CH:11][CH:12](O[C:12001]([CH3:12002])=O)[CH:13]5O[C:14]5([CH3:16])[CH3:15]', '[H][C@]34CC[C@@]1(CO1)[C@@H]2O[C@@H]2CC(=C)[C@]3([H])COC(=O)C4=CC(OC(C)=O)C5OC5(C)C', '[H][C@:34]34[CH2:33][CH2:28][C@@:55]1([CH2:48]O1)[C@@H:56]2O[C@@H:58]2[CH2:33][C:142](=[CH2:116])[C@:44]3([H])[CH2:69]O[C:169](=O)[C:136]4=[CH:136][CH:70](O[C:169]([CH3:21])=O)[CH:63]5O[C:59]5([CH3:25])[CH3:18]', '31 35 H 16.61 -11.63 H 16.61 -15.33 C:19 16.82 -16.51 C:12002 20.00 -11.40 C:16 17.78 -6.33 C:15 18.94 -8.50 O 19.30 -9.07 O 12.89 -12.02 C:11 15.36 -10.61 C:4 17.53 -11.63 C:5 18.94 -11.40 C:9 18.94 -15.54 C:18 15.36 -14.90 C:20 21.57 -11.85 O 14.12 -14.19 O 20.65 -10.84 O 17.64 -10.84 O 21.57 -14.57 O 16.61 -7.08 C:12001 18.94 -10.43 C:1 17.53 -15.33 C:17 14.12 -12.74 C:10 15.36 -12.02 C:12 16.61 -9.89 C:8 20.16 -14.82 C:13 16.61 -8.50 C:7 20.65 -13.47 C:14 17.78 -7.76 C:3 16.61 -12.74 C:2 16.61 -14.19 C:6 20.16 -12.11 29 1 -2 30 2 -1 3 21 2 4 20 1 5 28 1 6 28 1 7 20 2 8 22 2 9 23 2 9 24 1 10 11 1 10 29 1 11 31 1 12 21 1 12 25 1 13 15 1 13 30 1 14 16 1 31 14 -1 15 22 1 31 16 -2 17 20 1 17 24 1 25 18 -2 27 18 -2 19 26 1 19 28 1 21 30 1 22 23 1 23 29 1 24 26 1 25 27 1 26 28 1 27 31 1 29 30 1', '31 35 H 16.61 -11.63 H 16.61 -15.33 C 16.82 -16.51 C 20.00 -11.40 C 17.78 -6.33 C 18.94 -8.50 O 19.30 -9.07 O 12.89 -12.02 C 15.36 -10.61 C 17.53 -11.63 C 18.94 -11.40 C 18.94 -15.54 C 15.36 -14.90 C 21.57 -11.85 O 14.12 -14.19 O 20.65 -10.84 O 17.64 -10.84 O 21.57 -14.57 O 16.61 -7.08 C 18.94 -10.43 C 17.53 -15.33 C 14.12 -12.74 C 15.36 -12.02 C 16.61 -9.89 C 20.16 -14.82 C 16.61 -8.50 C 20.65 -13.47 C 17.78 -7.76 C 16.61 -12.74 C 16.61 -14.19 C 20.16 -12.11 29 1 -2 30 2 -1 3 21 2 4 20 1 5 28 1 6 28 1 7 20 2 8 22 2 9 23 2 9 24 1 10 11 1 10 29 1 11 31 1 12 21 1 12 25 1 13 15 1 13 30 1 14 16 1 31 14 -1 15 22 1 31 16 -2 17 20 1 17 24 1 25 18 -2 27 18 -2 19 26 1 19 28 1 21 30 1 22 23 1 23 29 1 24 26 1 25 27 1 26 28 1 27 31 1 29 30 1', '31 35 H 16.61 -11.63 H 16.61 -15.33 C:116 16.82 -16.51 C:21 20.00 -11.40 C:25 17.78 -6.33 C:18 18.94 -8.50 O 19.30 -9.07 O 12.89 -12.02 C:136 15.36 -10.61 C:33 17.53 -11.63 C:28 18.94 -11.40 C:33 18.94 -15.54 C:69 15.36 -14.90 C:48 21.57 -11.85 O 14.12 -14.19 O 20.65 -10.84 O 17.64 -10.84 O 21.57 -14.57 O 16.61 -7.08 C:169 18.94 -10.43 C:142 17.53 -15.33 C:169 14.12 -12.74 C:136 15.36 -12.02 C:70 16.61 -9.89 C:58 20.16 -14.82 C:63 16.61 -8.50 C:56 20.65 -13.47 C:59 17.78 -7.76 C:34 16.61 -12.74 C:44 16.61 -14.19 C:55 20.16 -12.11 29 1 -2 30 2 -1 3 21 2 4 20 1 5 28 1 6 28 1 7 20 2 8 22 2 9 23 2 9 24 1 10 11 1 10 29 1 11 31 1 12 21 1 12 25 1 13 15 1 13 30 1 14 16 1 31 14 -1 15 22 1 31 16 -2 17 20 1 17 24 1 25 18 -2 27 18 -2 19 26 1 19 28 1 21 30 1 22 23 1 23 29 1 24 26 1 25 27 1 26 28 1 27 31 1 29 30 1', 'C22H28O7', 404.247, 'C', 'tt06_12092_7', 3813, '', '11', '1', 1, NULL, NULL),
(15063, '', '6α,17,19-ent-Trachylobantriol', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@@:9]12[CH2:11][C@H:12]4[C@H:13]5[CH2:14][C@@:8]1([CH2:7][C@@H:6](O)[C@:5]3([H])[C@:4]([CH3:18])([CH2:19]O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20])[CH2:15][C@@:16]45[CH2:17]O', '[H][C@@]12C[C@H]4[C@H]5C[C@@]1(C[C@@H](O)[C@]3([H])[C@](C)(CO)CCC[C@@]23C)C[C@@]45CO', '[H][C@@:54]12[CH2:21][C@H:19]4[C@H:23]5[CH2:35][C@@:42]1([CH2:50][C@@H:69](O)[C@:62]3([H])[C@:40]([CH3:33])([CH2:68]O)[CH2:41][CH2:19][CH2:40][C@@:41]23[CH3:16])[CH2:48][C@@:31]45[CH2:67]O', '25 29 H 16.65 -11.03 H 15.37 -13.11 C:18 15.10 -13.91 C:20 15.37 -9.13 O 13.32 -15.19 O 21.71 -8.38 O 16.65 -14.21 C:2 12.81 -10.60 C:19 13.03 -13.81 C:17 20.51 -7.64 C:3 12.81 -12.05 C:1 14.08 -9.87 C:11 16.65 -8.38 C:7 17.92 -12.05 C:14 17.43 -9.44 C:15 19.18 -9.87 C:6 16.65 -12.81 C:12 17.92 -7.64 C:13 18.26 -8.98 C:4 14.08 -12.81 C:9 16.65 -9.87 C:10 15.37 -10.60 C:5 15.37 -12.05 C:8 17.92 -10.60 C:16 19.18 -8.38 21 1 -1 23 2 -1 20 3 -1 22 4 -2 5 9 1 6 10 1 17 7 -1 8 11 1 8 12 1 20 9 -2 25 10 -1 11 20 1 12 22 1 13 18 1 13 21 1 14 17 1 14 24 1 15 19 1 24 15 -2 16 24 1 16 25 1 17 23 1 18 19 -2 18 25 1 19 25 -2 20 23 1 21 22 1 21 24 1 22 23 1', '25 29 H 16.65 -11.03 H 15.37 -13.11 C 15.10 -13.91 C 15.37 -9.13 O 13.32 -15.19 O 21.71 -8.38 O 16.65 -14.21 C 12.81 -10.60 C 13.03 -13.81 C 20.51 -7.64 C 12.81 -12.05 C 14.08 -9.87 C 16.65 -8.38 C 17.92 -12.05 C 17.43 -9.44 C 19.18 -9.87 C 16.65 -12.81 C 17.92 -7.64 C 18.26 -8.98 C 14.08 -12.81 C 16.65 -9.87 C 15.37 -10.60 C 15.37 -12.05 C 17.92 -10.60 C 19.18 -8.38 21 1 -1 23 2 -1 20 3 -1 22 4 -2 5 9 1 6 10 1 17 7 -1 8 11 1 8 12 1 20 9 -2 25 10 -1 11 20 1 12 22 1 13 18 1 13 21 1 14 17 1 14 24 1 15 19 1 24 15 -2 16 24 1 16 25 1 17 23 1 18 19 -2 18 25 1 19 25 -2 20 23 1 21 22 1 21 24 1 22 23 1', '25 29 H 16.65 -11.03 H 15.37 -13.11 C:33 15.10 -13.91 C:16 15.37 -9.13 O 13.32 -15.19 O 21.71 -8.38 O 16.65 -14.21 C:19 12.81 -10.60 C:68 13.03 -13.81 C:67 20.51 -7.64 C:41 12.81 -12.05 C:40 14.08 -9.87 C:21 16.65 -8.38 C:50 17.92 -12.05 C:35 17.43 -9.44 C:48 19.18 -9.87 C:69 16.65 -12.81 C:19 17.92 -7.64 C:23 18.26 -8.98 C:40 14.08 -12.81 C:54 16.65 -9.87 C:41 15.37 -10.60 C:62 15.37 -12.05 C:42 17.92 -10.60 C:31 19.18 -8.38 21 1 -1 23 2 -1 20 3 -1 22 4 -2 5 9 1 6 10 1 17 7 -1 8 11 1 8 12 1 20 9 -2 25 10 -1 11 20 1 12 22 1 13 18 1 13 21 1 14 17 1 14 24 1 15 19 1 24 15 -2 16 24 1 16 25 1 17 23 1 18 19 -2 18 25 1 19 25 -2 20 23 1 21 22 1 21 24 1 22 23 1', 'C20H32O3', 320.228, 'P', 'ph67_1322_1', 3814, '', '', '1', 1, NULL, NULL),
(15064, '', '2α,18,19-ent-Trachylobantriol', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[CH2:14][C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C@H:2](O)[CH2:3][C@:4]3([CH2:19]O)[CH2:18]O)[C@:16]4([CH3:17])[CH2:15]5', '[H][C@]23CC[C@@]15C[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)C[C@H](O)C[C@]3(CO)CO)[C@]4(C)C5', '[H][C@:51]23[CH2:21][CH2:40][C@@:41]15[CH2:34][C@@H:25]4[C@H:21]([CH2:21][C@@:54]1([H])[C@:40]2([CH3:17])[CH2:50][C@H:64](O)[CH2:41][C@:45]3([CH2:65]O)[CH2:70]O)[C@:23]4([CH3:21])[CH2:51]5', '25 29 H 16.57 -13.07 H 17.85 -10.99 C:17 21.72 -7.60 C:20 16.57 -9.09 O 14.52 -15.16 O 15.89 -15.22 O 12.79 -9.87 C:19 14.23 -13.78 C:18 16.30 -13.88 C:6 17.85 -12.77 C:7 19.13 -12.01 C:11 17.85 -8.34 C:1 15.28 -9.87 C:3 14.01 -12.01 C:14 18.64 -9.41 C:15 20.39 -9.87 C:2 14.01 -10.56 C:12 19.13 -7.60 C:13 19.47 -8.94 C:5 16.57 -12.01 C:9 17.85 -9.87 C:16 20.39 -8.34 C:10 16.57 -10.56 C:4 15.28 -12.77 C:8 19.13 -10.56 20 1 -1 21 2 -1 22 3 -1 23 4 -2 5 8 1 6 9 1 17 7 -1 24 8 -2 24 9 -1 10 11 1 10 20 1 11 25 1 12 18 1 12 21 1 13 17 1 13 23 1 14 17 1 14 24 1 15 19 1 25 15 -2 16 22 1 16 25 1 18 19 -2 18 22 1 19 22 -2 20 23 1 20 24 1 21 23 1 21 25 1', '25 29 H 16.57 -13.07 H 17.85 -10.99 C 21.72 -7.60 C 16.57 -9.09 O 14.52 -15.16 O 15.89 -15.22 O 12.79 -9.87 C 14.23 -13.78 C 16.30 -13.88 C 17.85 -12.77 C 19.13 -12.01 C 17.85 -8.34 C 15.28 -9.87 C 14.01 -12.01 C 18.64 -9.41 C 20.39 -9.87 C 14.01 -10.56 C 19.13 -7.60 C 19.47 -8.94 C 16.57 -12.01 C 17.85 -9.87 C 20.39 -8.34 C 16.57 -10.56 C 15.28 -12.77 C 19.13 -10.56 20 1 -1 21 2 -1 22 3 -1 23 4 -2 5 8 1 6 9 1 17 7 -1 24 8 -2 24 9 -1 10 11 1 10 20 1 11 25 1 12 18 1 12 21 1 13 17 1 13 23 1 14 17 1 14 24 1 15 19 1 25 15 -2 16 22 1 16 25 1 18 19 -2 18 22 1 19 22 -2 20 23 1 20 24 1 21 23 1 21 25 1', '25 29 H 16.57 -13.07 H 17.85 -10.99 C:21 21.72 -7.60 C:17 16.57 -9.09 O 14.52 -15.16 O 15.89 -15.22 O 12.79 -9.87 C:65 14.23 -13.78 C:70 16.30 -13.88 C:21 17.85 -12.77 C:40 19.13 -12.01 C:21 17.85 -8.34 C:50 15.28 -9.87 C:41 14.01 -12.01 C:34 18.64 -9.41 C:51 20.39 -9.87 C:64 14.01 -10.56 C:21 19.13 -7.60 C:25 19.47 -8.94 C:51 16.57 -12.01 C:54 17.85 -9.87 C:23 20.39 -8.34 C:40 16.57 -10.56 C:45 15.28 -12.77 C:41 19.13 -10.56 20 1 -1 21 2 -1 22 3 -1 23 4 -2 5 8 1 6 9 1 17 7 -1 24 8 -2 24 9 -1 10 11 1 10 20 1 11 25 1 12 18 1 12 21 1 13 17 1 13 23 1 14 17 1 14 24 1 15 19 1 25 15 -2 16 22 1 16 25 1 18 19 -2 18 22 1 19 22 -2 20 23 1 20 24 1 21 23 1 21 25 1', 'C20H32O3', 320.228, 'P', 'ph67_1322_2', 3814, '', '', '1', 1, NULL, NULL),
(15065, '', '2β,6α,18,19-ent-Trachylobantetraol', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@@:9]12[CH2:11][C@H:12]4[C@H:13]5[CH2:14][C@@:8]1([CH2:7][C@@H:6](O)[C@@:5]3([H])[C@@:10]2([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]3([CH2:18]O)[CH2:19]O)[CH2:15][C@@:16]45[CH3:17]', '[H][C@@]12C[C@H]4[C@H]5C[C@@]1(C[C@@H](O)[C@@]3([H])[C@@]2(C)C[C@@H](O)C[C@@]3(CO)CO)C[C@@]45C', '[H][C@@:54]12[CH2:20][C@H:21]4[C@H:25]5[CH2:34][C@@:41]1([CH2:49][C@@H:68](O)[C@@:54]3([H])[C@@:42]2([CH3:22])[CH2:49][C@@H:65](O)[CH2:38][C@@:45]3([CH2:69]O)[CH2:66]O)[CH2:51][C@@:23]45[CH3:21]', '26 30 H 17.91 -11.00 H 16.59 -13.08 C:17 21.74 -7.61 C:20 16.59 -9.10 O 15.91 -15.24 O 14.53 -15.18 O 12.80 -9.88 O 17.91 -14.18 C:18 16.32 -13.89 C:19 14.24 -13.79 C:1 15.30 -9.88 C:3 14.02 -12.02 C:11 17.91 -8.35 C:7 19.15 -12.02 C:14 18.66 -9.42 C:15 20.41 -9.88 C:2 14.02 -10.57 C:6 17.91 -12.78 C:12 19.15 -7.61 C:13 19.49 -8.95 C:9 17.91 -9.88 C:16 20.41 -8.35 C:10 16.59 -10.57 C:5 16.59 -12.02 C:4 15.30 -12.78 C:8 19.15 -10.57 21 1 -1 24 2 -1 22 3 -1 23 4 -2 5 9 1 6 10 1 17 7 -2 18 8 -1 25 9 -1 25 10 -2 11 17 1 11 23 1 12 17 1 12 25 1 13 19 1 13 21 1 14 18 1 14 26 1 15 20 1 26 15 -2 16 22 1 16 26 1 18 24 1 19 20 -2 19 22 1 20 22 -2 21 23 1 21 26 1 23 24 1 24 25 1', '26 30 H 17.91 -11.00 H 16.59 -13.08 C 21.74 -7.61 C 16.59 -9.10 O 15.91 -15.24 O 14.53 -15.18 O 12.80 -9.88 O 17.91 -14.18 C 16.32 -13.89 C 14.24 -13.79 C 15.30 -9.88 C 14.02 -12.02 C 17.91 -8.35 C 19.15 -12.02 C 18.66 -9.42 C 20.41 -9.88 C 14.02 -10.57 C 17.91 -12.78 C 19.15 -7.61 C 19.49 -8.95 C 17.91 -9.88 C 20.41 -8.35 C 16.59 -10.57 C 16.59 -12.02 C 15.30 -12.78 C 19.15 -10.57 21 1 -1 24 2 -1 22 3 -1 23 4 -2 5 9 1 6 10 1 17 7 -2 18 8 -1 25 9 -1 25 10 -2 11 17 1 11 23 1 12 17 1 12 25 1 13 19 1 13 21 1 14 18 1 14 26 1 15 20 1 26 15 -2 16 22 1 16 26 1 18 24 1 19 20 -2 19 22 1 20 22 -2 21 23 1 21 26 1 23 24 1 24 25 1', '26 30 H 17.91 -11.00 H 16.59 -13.08 C:21 21.74 -7.61 C:22 16.59 -9.10 O 15.91 -15.24 O 14.53 -15.18 O 12.80 -9.88 O 17.91 -14.18 C:69 16.32 -13.89 C:66 14.24 -13.79 C:49 15.30 -9.88 C:38 14.02 -12.02 C:20 17.91 -8.35 C:49 19.15 -12.02 C:34 18.66 -9.42 C:51 20.41 -9.88 C:65 14.02 -10.57 C:68 17.91 -12.78 C:21 19.15 -7.61 C:25 19.49 -8.95 C:54 17.91 -9.88 C:23 20.41 -8.35 C:42 16.59 -10.57 C:54 16.59 -12.02 C:45 15.30 -12.78 C:41 19.15 -10.57 21 1 -1 24 2 -1 22 3 -1 23 4 -2 5 9 1 6 10 1 17 7 -2 18 8 -1 25 9 -1 25 10 -2 11 17 1 11 23 1 12 17 1 12 25 1 13 19 1 13 21 1 14 18 1 14 26 1 15 20 1 26 15 -2 16 22 1 16 26 1 18 24 1 19 20 -2 19 22 1 20 22 -2 21 23 1 21 26 1 23 24 1 24 25 1', 'C20H32O4', 336.227, 'P', 'ph67_1322_3', 3814, '', '', '1', 1, NULL, NULL),
(15066, '', '(5R)-6-Acetyl-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone', 'Aliphatics', 'Cyclohexenones', '', '[CH2:5002]=[CH:5001][C@@H:5]1[CH2:4][CH:3]=[C:2]([CH3:2001])[C:1](=O)[CH:6]1[C:6001]([CH3:6002])=O', 'C=C[C@@H]1CC=C(C)C(=O)C1C(C)=O', '[CH2:113]=[CH:145][C@@H:45]1[CH2:31][CH:145]=[C:135]([CH3:20])[C:206](=O)[CH:65]1[C:196]([CH3:30])=O', '13 13 C:5002 14.22 -12.80 C:6002 14.22 -11.40 C:2001 20.28 -10.70 O 15.44 -9.30 O 17.86 -9.30 C:5001 15.44 -13.50 C:3 19.07 -12.80 C:4 17.86 -13.50 C:6001 15.44 -10.70 C:2 19.07 -11.40 C:1 17.86 -10.70 C:5 16.65 -12.80 C:6 16.65 -11.40 1 6 2 2 9 1 3 10 1 4 9 2 5 11 2 12 6 -1 7 8 1 7 10 2 8 12 1 9 13 1 10 11 1 11 13 1 12 13 1', '13 13 C 14.22 -12.80 C 14.22 -11.40 C 20.28 -10.70 O 15.44 -9.30 O 17.86 -9.30 C 15.44 -13.50 C 19.07 -12.80 C 17.86 -13.50 C 15.44 -10.70 C 19.07 -11.40 C 17.86 -10.70 C 16.65 -12.80 C 16.65 -11.40 1 6 2 2 9 1 3 10 1 4 9 2 5 11 2 12 6 -1 7 8 1 7 10 2 8 12 1 9 13 1 10 11 1 11 13 1 12 13 1', '13 13 C:113 14.22 -12.80 C:30 14.22 -11.40 C:20 20.28 -10.70 O 15.44 -9.30 O 17.86 -9.30 C:145 15.44 -13.50 C:145 19.07 -12.80 C:31 17.86 -13.50 C:196 15.44 -10.70 C:135 19.07 -11.40 C:206 17.86 -10.70 C:45 16.65 -12.80 C:65 16.65 -11.40 1 6 2 2 9 1 3 10 1 4 9 2 5 11 2 12 6 -1 7 8 1 7 10 2 8 12 1 9 13 1 10 11 1 11 13 1 12 13 1', 'C11H14O2', 178.117, '', 'tt06_3266_16', 4306, '', '', '1', 1, NULL, NULL),
(15067, '', '(5S,6S)-6-Acetyl-6-(3,3-diethoxypropyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone', 'Aliphatics', 'Cyclohexenones', '', '[CH2:5002]=[CH:5001][C@@H:5]1[CH2:4][CH:3]=[C:2]([CH3:2001])[C:1](=O)[C@:6]1([CH2:101][CH2:102][CH:103](O[CH2:103003][CH3:103004])O[CH2:103001][CH3:103002])[C:6001]([CH3:6002])=O', 'C=C[C@@H]1CC=C(C)C(=O)[C@]1(CCC(OCC)OCC)C(C)=O', '[CH2:115]=[CH:145][C@@H:48]1[CH2:28][CH:144]=[C:135]([CH3:23])[C:208](=O)[C@:65]1([CH2:28][CH2:29][CH:103](O[CH2:61][CH3:16])O[CH2:61][CH3:15])[C:198]([CH3:30])=O', '22 22 C:5002 14.75 -15.40 C:103004 13.66 -8.64 C:103002 18.13 -6.78 C:6002 14.75 -14.00 C:2001 20.82 -13.30 O 15.97 -11.90 O 18.39 -11.90 C:5001 15.97 -16.10 C:3 19.60 -15.40 C:103003 15.04 -8.82 C:103001 17.28 -7.89 C:4 18.39 -16.10 C:102 17.51 -11.59 C:101 16.66 -12.70 O 15.58 -10.11 O 17.82 -9.18 C:6001 15.97 -13.30 C:2 19.60 -14.00 C:1 18.39 -13.30 C:5 17.18 -15.40 C:103 16.97 -10.29 C:6 17.18 -14.00 1 8 2 2 10 1 3 11 1 4 17 1 5 18 1 6 17 2 7 19 2 20 8 -1 9 12 1 9 18 2 10 15 1 11 16 1 12 20 1 13 14 1 13 21 1 14 22 1 15 21 1 16 21 1 22 17 -1 18 19 1 19 22 1 20 22 1', '22 22 C 14.75 -15.40 C 13.66 -8.64 C 18.13 -6.78 C 14.75 -14.00 C 20.82 -13.30 O 15.97 -11.90 O 18.39 -11.90 C 15.97 -16.10 C 19.60 -15.40 C 15.04 -8.82 C 17.28 -7.89 C 18.39 -16.10 C 17.51 -11.59 C 16.66 -12.70 O 15.58 -10.11 O 17.82 -9.18 C 15.97 -13.30 C 19.60 -14.00 C 18.39 -13.30 C 17.18 -15.40 C 16.97 -10.29 C 17.18 -14.00 1 8 2 2 10 1 3 11 1 4 17 1 5 18 1 6 17 2 7 19 2 20 8 -1 9 12 1 9 18 2 10 15 1 11 16 1 12 20 1 13 14 1 13 21 1 14 22 1 15 21 1 16 21 1 22 17 -1 18 19 1 19 22 1 20 22 1', '22 22 C:115 14.75 -15.40 C:16 13.66 -8.64 C:15 18.13 -6.78 C:30 14.75 -14.00 C:23 20.82 -13.30 O 15.97 -11.90 O 18.39 -11.90 C:145 15.97 -16.10 C:144 19.60 -15.40 C:61 15.04 -8.82 C:61 17.28 -7.89 C:28 18.39 -16.10 C:29 17.51 -11.59 C:28 16.66 -12.70 O 15.58 -10.11 O 17.82 -9.18 C:198 15.97 -13.30 C:135 19.60 -14.00 C:208 18.39 -13.30 C:48 17.18 -15.40 C:103 16.97 -10.29 C:65 17.18 -14.00 1 8 2 2 10 1 3 11 1 4 17 1 5 18 1 6 17 2 7 19 2 20 8 -1 9 12 1 9 18 2 10 15 1 11 16 1 12 20 1 13 14 1 13 21 1 14 22 1 15 21 1 16 21 1 22 17 -1 18 19 1 19 22 1 20 22 1', 'C18H28O4', 308.19, '', 'tt06_3266_17', 4306, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15068, '', '19-nor-ent-Trachylob-3-en-14,15-dione', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[C:14](=O)[C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH:3]=[C:4]3[CH3:18])[C@:16]4([CH3:17])[C:15]5=O', '[H][C@]23CC[C@@]15C(=O)[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC=C3C)[C@]4(C)C5=O', '[H][C@:58]23[CH2:20][CH2:21][C@@:56]15[C:207](=O)[C@@H:47]4[C@H:43]([CH2:20][C@@:47]1([H])[C@:37]2([CH3:11])[CH2:35][CH2:22][CH:121]=[C:134]3[CH3:21])[C@:49]4([CH3:13])[C:206]5=O', '23 27 H 15.93 -13.61 H 17.22 -11.53 C:18 14.71 -14.68 C:17 21.07 -8.16 C:20 15.93 -9.64 O 16.69 -8.87 O 20.94 -11.11 C:3 13.42 -12.54 C:2 13.42 -11.11 C:6 17.22 -13.31 C:1 14.71 -10.38 C:7 18.48 -12.54 C:11 17.22 -8.87 C:4 14.71 -13.31 C:14 18.01 -9.95 C:15 19.74 -10.38 C:12 18.48 -8.16 C:13 18.83 -9.51 C:5 15.93 -12.54 C:9 17.22 -10.38 C:16 19.74 -8.87 C:10 15.93 -11.11 C:8 18.48 -11.11 19 1 -1 20 2 -1 3 14 1 21 4 -1 22 5 -2 6 15 2 7 16 2 8 9 1 8 14 2 9 11 1 10 12 1 10 19 1 11 22 1 12 23 1 13 17 1 13 20 1 14 19 1 15 18 1 23 15 -2 16 21 1 16 23 1 17 18 -2 17 21 1 18 21 -2 19 22 1 20 22 1 20 23 1', '23 27 H 15.93 -13.61 H 17.22 -11.53 C 14.71 -14.68 C 21.07 -8.16 C 15.93 -9.64 O 16.69 -8.87 O 20.94 -11.11 C 13.42 -12.54 C 13.42 -11.11 C 17.22 -13.31 C 14.71 -10.38 C 18.48 -12.54 C 17.22 -8.87 C 14.71 -13.31 C 18.01 -9.95 C 19.74 -10.38 C 18.48 -8.16 C 18.83 -9.51 C 15.93 -12.54 C 17.22 -10.38 C 19.74 -8.87 C 15.93 -11.11 C 18.48 -11.11 19 1 -1 20 2 -1 3 14 1 21 4 -1 22 5 -2 6 15 2 7 16 2 8 9 1 8 14 2 9 11 1 10 12 1 10 19 1 11 22 1 12 23 1 13 17 1 13 20 1 14 19 1 15 18 1 23 15 -2 16 21 1 16 23 1 17 18 -2 17 21 1 18 21 -2 19 22 1 20 22 1 20 23 1', '23 27 H 15.93 -13.61 H 17.22 -11.53 C:21 14.71 -14.68 C:13 21.07 -8.16 C:11 15.93 -9.64 O 16.69 -8.87 O 20.94 -11.11 C:121 13.42 -12.54 C:22 13.42 -11.11 C:20 17.22 -13.31 C:35 14.71 -10.38 C:21 18.48 -12.54 C:20 17.22 -8.87 C:134 14.71 -13.31 C:207 18.01 -9.95 C:206 19.74 -10.38 C:43 18.48 -8.16 C:47 18.83 -9.51 C:58 15.93 -12.54 C:47 17.22 -10.38 C:49 19.74 -8.87 C:37 15.93 -11.11 C:56 18.48 -11.11 19 1 -1 20 2 -1 3 14 1 21 4 -1 22 5 -2 6 15 2 7 16 2 8 9 1 8 14 2 9 11 1 10 12 1 10 19 1 11 22 1 12 23 1 13 17 1 13 20 1 14 19 1 15 18 1 23 15 -2 16 21 1 16 23 1 17 18 -2 17 21 1 18 21 -2 19 22 1 20 22 1 20 23 1', 'C19H24O2', 284.218, 'M', 'tt06_3266_24', 4306, '', '', '1', 1, NULL, NULL),
(15069, '', '3b,18-Cyclo-ent-trachylobane-14,15-dione', 'Terpenoids', 'Diterpenoids', 'Cyclo-Trachylobanes', '[H][C@:5]24[CH2:6][CH2:7][C@@:8]16[C:14](=O)[C@@H:13]5[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3]3[CH2:18][C@@:4]34[CH3:19])[C@:16]5([CH3:17])[C:15]6=O', '[H][C@]24CC[C@@]16C(=O)[C@@H]5[C@H](C[C@@]1([H])[C@]2(C)CC[C@@H]3C[C@@]34C)[C@]5(C)C6=O', '[H][C@:50]24[CH2:19][CH2:20][C@@:56]16[C:207](=O)[C@@H:47]5[C@H:43]([CH2:21][C@@:57]1([H])[C@:37]2([CH3:11])[CH2:33][CH2:21][C@@H:19]3[CH2:22][C@@:16]34[CH3:21])[C@:49]5([CH3:13])[C:207]6=O', '24 29 H 15.93 -13.61 H 17.22 -11.53 C:19 14.71 -14.68 C:17 21.07 -8.16 C:20 15.93 -9.64 O 16.69 -8.87 O 20.94 -11.11 C:2 13.45 -11.11 C:1 14.71 -10.38 C:6 17.22 -13.31 C:7 18.48 -12.54 C:18 13.45 -13.97 C:11 17.22 -8.87 C:14 18.01 -9.95 C:15 19.74 -10.38 C:3 13.45 -12.54 C:12 18.48 -8.16 C:13 18.83 -9.51 C:5 15.93 -12.54 C:9 17.22 -10.38 C:4 14.71 -13.31 C:16 19.74 -8.87 C:10 15.93 -11.11 C:8 18.48 -11.11 19 1 -1 20 2 -1 21 3 -2 22 4 -1 23 5 -2 6 14 2 7 15 2 8 9 1 8 16 1 9 23 1 10 11 1 10 19 1 11 24 1 16 12 -1 12 21 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 22 1 15 24 1 16 21 1 17 18 -2 17 22 1 18 22 -2 19 21 1 19 23 1 20 23 1 20 24 1', '24 29 H 15.93 -13.61 H 17.22 -11.53 C 14.71 -14.68 C 21.07 -8.16 C 15.93 -9.64 O 16.69 -8.87 O 20.94 -11.11 C 13.45 -11.11 C 14.71 -10.38 C 17.22 -13.31 C 18.48 -12.54 C 13.45 -13.97 C 17.22 -8.87 C 18.01 -9.95 C 19.74 -10.38 C 13.45 -12.54 C 18.48 -8.16 C 18.83 -9.51 C 15.93 -12.54 C 17.22 -10.38 C 14.71 -13.31 C 19.74 -8.87 C 15.93 -11.11 C 18.48 -11.11 19 1 -1 20 2 -1 21 3 -2 22 4 -1 23 5 -2 6 14 2 7 15 2 8 9 1 8 16 1 9 23 1 10 11 1 10 19 1 11 24 1 16 12 -1 12 21 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 22 1 15 24 1 16 21 1 17 18 -2 17 22 1 18 22 -2 19 21 1 19 23 1 20 23 1 20 24 1', '24 29 H 15.93 -13.61 H 17.22 -11.53 C:21 14.71 -14.68 C:13 21.07 -8.16 C:11 15.93 -9.64 O 16.69 -8.87 O 20.94 -11.11 C:21 13.45 -11.11 C:33 14.71 -10.38 C:19 17.22 -13.31 C:20 18.48 -12.54 C:22 13.45 -13.97 C:21 17.22 -8.87 C:207 18.01 -9.95 C:207 19.74 -10.38 C:19 13.45 -12.54 C:43 18.48 -8.16 C:47 18.83 -9.51 C:50 15.93 -12.54 C:57 17.22 -10.38 C:16 14.71 -13.31 C:49 19.74 -8.87 C:37 15.93 -11.11 C:56 18.48 -11.11 19 1 -1 20 2 -1 21 3 -2 22 4 -1 23 5 -2 6 14 2 7 15 2 8 9 1 8 16 1 9 23 1 10 11 1 10 19 1 11 24 1 16 12 -1 12 21 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 22 1 15 24 1 16 21 1 17 18 -2 17 22 1 18 22 -2 19 21 1 19 23 1 20 23 1 20 24 1', 'C20H26O2', 298.229, 'M', 'tt06_3266_25', 4306, '', '', '1', 1, NULL, NULL),
(15070, '', '15b-Hydroxy-ent-trachyloban-14-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[C:14](=O)[C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@:16]4([CH3:17])[C@H:15]5O', '[H][C@]23CC[C@@]15C(=O)[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@]4(C)[C@H]5O', '[H][C@:55]23[CH2:18][CH2:28][C@@:50]15[C:212](=O)[C@@H:40]4[C@H:35]([CH2:19][C@@:50]1([H])[C@:37]2([CH3:14])[CH2:39][CH2:18][CH2:42][C@@:33]3([CH3:33])[CH3:21])[C@:38]4([CH3:18])[C@H:77]5O', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:18 15.64 -14.56 C:19 13.86 -14.45 C:20 15.92 -9.74 C:17 21.05 -8.26 O 16.68 -8.97 O 20.92 -11.21 C:2 13.41 -11.21 C:3 13.41 -12.64 C:1 14.70 -10.48 C:6 17.21 -13.41 C:7 18.46 -12.64 C:11 17.21 -8.97 C:14 18.00 -10.05 C:15 19.72 -10.48 C:12 18.46 -8.26 C:13 18.81 -9.61 C:4 14.70 -13.41 C:5 15.92 -12.64 C:9 17.21 -10.48 C:10 15.92 -11.21 C:16 19.72 -8.97 C:8 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C 15.64 -14.56 C 13.86 -14.45 C 15.92 -9.74 C 21.05 -8.26 O 16.68 -8.97 O 20.92 -11.21 C 13.41 -11.21 C 13.41 -12.64 C 14.70 -10.48 C 17.21 -13.41 C 18.46 -12.64 C 17.21 -8.97 C 18.00 -10.05 C 19.72 -10.48 C 18.46 -8.26 C 18.81 -9.61 C 14.70 -13.41 C 15.92 -12.64 C 17.21 -10.48 C 15.92 -11.21 C 19.72 -8.97 C 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:33 15.64 -14.56 C:21 13.86 -14.45 C:14 15.92 -9.74 C:18 21.05 -8.26 O 16.68 -8.97 O 20.92 -11.21 C:18 13.41 -11.21 C:42 13.41 -12.64 C:39 14.70 -10.48 C:18 17.21 -13.41 C:28 18.46 -12.64 C:19 17.21 -8.97 C:212 18.00 -10.05 C:77 19.72 -10.48 C:35 18.46 -8.26 C:40 18.81 -9.61 C:33 14.70 -13.41 C:55 15.92 -12.64 C:50 17.21 -10.48 C:37 15.92 -11.21 C:38 19.72 -8.97 C:50 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', 'C20H30O2', 302.229, 'M', 'tt06_3266_26a', 4306, '', '', '1', 1, NULL, NULL),
(15071, '', '15a-hydroxy-ent-trachyloban-14-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[C:14](=O)[C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@:16]4([CH3:17])[C@@H:15]5O', '[H][C@]23CC[C@@]15C(=O)[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@]4(C)[C@@H]5O', '[H][C@:55]23[CH2:18][CH2:26][C@@:52]15[C:214](=O)[C@@H:37]4[C@H:35]([CH2:19][C@@:57]1([H])[C@:38]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]3([CH3:33])[CH3:22])[C@:37]4([CH3:16])[C@@H:82]5O', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:18 15.64 -14.56 C:19 13.86 -14.45 C:20 15.92 -9.74 C:17 21.05 -8.26 O 16.68 -8.97 O 20.92 -11.21 C:2 13.41 -11.21 C:3 13.41 -12.64 C:1 14.70 -10.48 C:6 17.21 -13.41 C:7 18.46 -12.64 C:11 17.21 -8.97 C:14 18.00 -10.05 C:15 19.72 -10.48 C:12 18.46 -8.26 C:13 18.81 -9.61 C:4 14.70 -13.41 C:5 15.92 -12.64 C:9 17.21 -10.48 C:10 15.92 -11.21 C:16 19.72 -8.97 C:8 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C 15.64 -14.56 C 13.86 -14.45 C 15.92 -9.74 C 21.05 -8.26 O 16.68 -8.97 O 20.92 -11.21 C 13.41 -11.21 C 13.41 -12.64 C 14.70 -10.48 C 17.21 -13.41 C 18.46 -12.64 C 17.21 -8.97 C 18.00 -10.05 C 19.72 -10.48 C 18.46 -8.26 C 18.81 -9.61 C 14.70 -13.41 C 15.92 -12.64 C 17.21 -10.48 C 15.92 -11.21 C 19.72 -8.97 C 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:33 15.64 -14.56 C:22 13.86 -14.45 C:14 15.92 -9.74 C:16 21.05 -8.26 O 16.68 -8.97 O 20.92 -11.21 C:19 13.41 -11.21 C:42 13.41 -12.64 C:39 14.70 -10.48 C:18 17.21 -13.41 C:26 18.46 -12.64 C:19 17.21 -8.97 C:214 18.00 -10.05 C:82 19.72 -10.48 C:35 18.46 -8.26 C:37 18.81 -9.61 C:33 14.70 -13.41 C:55 15.92 -12.64 C:57 17.21 -10.48 C:38 15.92 -11.21 C:37 19.72 -8.97 C:52 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', 'C20H30O2', 302.229, 'M', 'tt06_3266_26b', 4306, '', '', '1', 1, NULL, NULL),
(15072, '', '15b-Hydroxy-3β,18-cyclo-ent-trachyloban-14-one', 'Terpenoids', 'Diterpenoids', 'Cyclo-Trachylobanes', '[H][C@:5]24[CH2:6][CH2:7][C@@:8]16[C:14](=O)[C@@H:13]5[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3]3[CH2:18][C@@:4]34[CH3:19])[C@:16]5([CH3:17])[C@H:15]6O', '[H][C@]24CC[C@@]16C(=O)[C@@H]5[C@H](C[C@@]1([H])[C@]2(C)CC[C@@H]3C[C@@]34C)[C@]5(C)[C@H]6O', '[H][C@:50]24[CH2:19][CH2:28][C@@:50]16[C:212](=O)[C@@H:40]5[C@H:35]([CH2:19][C@@:46]1([H])[C@:36]2([CH3:11])[CH2:34][CH2:22][C@@H:19]3[CH2:24][C@@:16]34[CH3:22])[C@:39]5([CH3:18])[C@H:77]6O', '24 29 H 15.93 -13.61 H 17.22 -11.53 C:19 14.71 -14.68 C:20 15.93 -9.64 C:17 21.07 -8.16 O 16.69 -8.87 O 20.94 -11.11 C:2 13.45 -11.11 C:1 14.71 -10.38 C:6 17.22 -13.31 C:7 18.48 -12.54 C:18 13.45 -13.97 C:11 17.22 -8.87 C:14 18.01 -9.95 C:3 13.45 -12.54 C:15 19.74 -10.38 C:12 18.48 -8.16 C:13 18.83 -9.51 C:5 15.93 -12.54 C:9 17.22 -10.38 C:4 14.71 -13.31 C:10 15.93 -11.11 C:16 19.74 -8.87 C:8 18.48 -11.11 19 1 -1 20 2 -1 21 3 -2 22 4 -2 23 5 -1 6 14 2 16 7 -1 8 9 1 8 15 1 9 22 1 10 11 1 10 19 1 11 24 1 15 12 -1 12 21 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 21 1 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 21 1 19 22 1 20 22 1 20 24 1', '24 29 H 15.93 -13.61 H 17.22 -11.53 C 14.71 -14.68 C 15.93 -9.64 C 21.07 -8.16 O 16.69 -8.87 O 20.94 -11.11 C 13.45 -11.11 C 14.71 -10.38 C 17.22 -13.31 C 18.48 -12.54 C 13.45 -13.97 C 17.22 -8.87 C 18.01 -9.95 C 13.45 -12.54 C 19.74 -10.38 C 18.48 -8.16 C 18.83 -9.51 C 15.93 -12.54 C 17.22 -10.38 C 14.71 -13.31 C 15.93 -11.11 C 19.74 -8.87 C 18.48 -11.11 19 1 -1 20 2 -1 21 3 -2 22 4 -2 23 5 -1 6 14 2 16 7 -1 8 9 1 8 15 1 9 22 1 10 11 1 10 19 1 11 24 1 15 12 -1 12 21 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 21 1 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 21 1 19 22 1 20 22 1 20 24 1', '24 29 H 15.93 -13.61 H 17.22 -11.53 C:22 14.71 -14.68 C:11 15.93 -9.64 C:18 21.07 -8.16 O 16.69 -8.87 O 20.94 -11.11 C:22 13.45 -11.11 C:34 14.71 -10.38 C:19 17.22 -13.31 C:28 18.48 -12.54 C:24 13.45 -13.97 C:19 17.22 -8.87 C:212 18.01 -9.95 C:19 13.45 -12.54 C:77 19.74 -10.38 C:35 18.48 -8.16 C:40 18.83 -9.51 C:50 15.93 -12.54 C:46 17.22 -10.38 C:16 14.71 -13.31 C:36 15.93 -11.11 C:39 19.74 -8.87 C:50 18.48 -11.11 19 1 -1 20 2 -1 21 3 -2 22 4 -2 23 5 -1 6 14 2 16 7 -1 8 9 1 8 15 1 9 22 1 10 11 1 10 19 1 11 24 1 15 12 -1 12 21 1 13 17 1 13 20 1 14 18 1 24 14 -2 15 21 1 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 21 1 19 22 1 20 22 1 20 24 1', 'C20H28O2', 300.229, 'M', 'tt06_3266_27', 4306, '', '', '1', 1, NULL, NULL),
(15073, '', '3b,18-Cyclo-16αH-ent-atisane-14,15-dione', 'Terpenoids', 'Diterpenoids', 'Cyclo-Atisanes', '[H][C@:5]24[CH2:6][CH2:7][C@@:8]15[C:14](=O)[CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3]3[CH2:18][C@@:4]34[CH3:19])[C@@H:16]([CH3:17])[C:15]5=O', '[H][C@]24CC[C@@]15C(=O)C[C@H](C[C@@]1([H])[C@]2(C)CC[C@@H]3C[C@@]34C)[C@@H](C)C5=O', '[H][C@:50]24[CH2:19][CH2:23][C@@:66]15[C:210](=O)[CH2:46][C@H:32]([CH2:23][C@@:46]1([H])[C@:38]2([CH3:12])[CH2:33][CH2:22][C@@H:19]3[CH2:21][C@@:16]34[CH3:24])[C@@H:46]([CH3:15])[C:209]5=O', '24 28 H 16.02 -13.53 H 17.26 -11.49 C:17 20.99 -8.21 C:19 14.71 -14.62 C:20 16.02 -9.64 O 20.56 -9.49 O 20.99 -11.09 C:2 13.51 -11.09 C:6 17.26 -13.23 C:1 14.71 -10.36 C:7 18.51 -12.50 C:13 17.89 -9.49 C:11 17.26 -8.94 C:18 13.51 -13.89 C:14 19.24 -9.99 C:15 19.75 -10.36 C:16 19.75 -8.94 C:12 18.51 -8.21 C:3 13.51 -12.50 C:5 16.02 -12.50 C:9 17.26 -10.36 C:4 14.71 -13.23 C:10 16.02 -11.09 C:8 18.51 -11.09 20 1 -1 21 2 -1 17 3 -1 22 4 -2 23 5 -2 6 15 2 7 16 2 8 10 1 8 19 1 9 11 1 9 20 1 10 23 1 11 24 1 12 15 1 18 12 -2 13 18 1 13 21 1 19 14 -1 14 22 1 24 15 -2 16 17 1 16 24 1 17 18 1 19 22 1 20 22 1 20 23 1 21 23 1 21 24 1', '24 28 H 16.02 -13.53 H 17.26 -11.49 C 20.99 -8.21 C 14.71 -14.62 C 16.02 -9.64 O 20.56 -9.49 O 20.99 -11.09 C 13.51 -11.09 C 17.26 -13.23 C 14.71 -10.36 C 18.51 -12.50 C 17.89 -9.49 C 17.26 -8.94 C 13.51 -13.89 C 19.24 -9.99 C 19.75 -10.36 C 19.75 -8.94 C 18.51 -8.21 C 13.51 -12.50 C 16.02 -12.50 C 17.26 -10.36 C 14.71 -13.23 C 16.02 -11.09 C 18.51 -11.09 20 1 -1 21 2 -1 17 3 -1 22 4 -2 23 5 -2 6 15 2 7 16 2 8 10 1 8 19 1 9 11 1 9 20 1 10 23 1 11 24 1 12 15 1 18 12 -2 13 18 1 13 21 1 19 14 -1 14 22 1 24 15 -2 16 17 1 16 24 1 17 18 1 19 22 1 20 22 1 20 23 1 21 23 1 21 24 1', '24 28 H 16.02 -13.53 H 17.26 -11.49 C:15 20.99 -8.21 C:24 14.71 -14.62 C:12 16.02 -9.64 O 20.56 -9.49 O 20.99 -11.09 C:22 13.51 -11.09 C:19 17.26 -13.23 C:33 14.71 -10.36 C:23 18.51 -12.50 C:46 17.89 -9.49 C:23 17.26 -8.94 C:21 13.51 -13.89 C:210 19.24 -9.99 C:209 19.75 -10.36 C:46 19.75 -8.94 C:32 18.51 -8.21 C:19 13.51 -12.50 C:50 16.02 -12.50 C:46 17.26 -10.36 C:16 14.71 -13.23 C:38 16.02 -11.09 C:66 18.51 -11.09 20 1 -1 21 2 -1 17 3 -1 22 4 -2 23 5 -2 6 15 2 7 16 2 8 10 1 8 19 1 9 11 1 9 20 1 10 23 1 11 24 1 12 15 1 18 12 -2 13 18 1 13 21 1 19 14 -1 14 22 1 24 15 -2 16 17 1 16 24 1 17 18 1 19 22 1 20 22 1 20 23 1 21 23 1 21 24 1', 'C20H28O2', 300.229, 'M', 'tt06_3266_28a', 4306, '', '', '1', 1, NULL, NULL),
(15074, '', '3b,18-cyclo-16bH-ent-atisane-14,15-dione', 'Terpenoids', 'Diterpenoids', 'Cyclo-Atisanes', '[H][C@:5]24[CH2:6][CH2:7][C@@:8]15[C:14](=O)[CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3]3[CH2:18][C@@:4]34[CH3:19])[C@H:16]([CH3:17])[C:15]5=O', '[H][C@]24CC[C@@]15C(=O)C[C@H](C[C@@]1([H])[C@]2(C)CC[C@@H]3C[C@@]34C)[C@H](C)C5=O', '[H][C@:50]24[CH2:19][CH2:23][C@@:67]15[C:211](=O)[CH2:40][C@H:32]([CH2:29][C@@:45]1([H])[C@:39]2([CH3:12])[CH2:33][CH2:22][C@@H:19]3[CH2:21][C@@:16]34[CH3:24])[C@H:45]([CH3:15])[C:209]5=O', '24 28 H 16.02 -13.53 H 17.26 -11.49 C:17 20.99 -8.21 C:19 14.71 -14.62 C:20 16.02 -9.64 O 20.56 -9.49 O 20.99 -11.09 C:2 13.51 -11.09 C:6 17.26 -13.23 C:1 14.71 -10.36 C:7 18.51 -12.50 C:13 17.89 -9.49 C:11 17.26 -8.94 C:18 13.51 -13.89 C:14 19.24 -9.99 C:15 19.75 -10.36 C:16 19.75 -8.94 C:12 18.51 -8.21 C:3 13.51 -12.50 C:5 16.02 -12.50 C:9 17.26 -10.36 C:4 14.71 -13.23 C:10 16.02 -11.09 C:8 18.51 -11.09 20 1 -1 21 2 -1 17 3 -2 22 4 -2 23 5 -2 6 15 2 7 16 2 8 10 1 8 19 1 9 11 1 9 20 1 10 23 1 11 24 1 12 15 1 18 12 -2 13 18 1 13 21 1 19 14 -1 14 22 1 24 15 -2 16 17 1 16 24 1 17 18 1 19 22 1 20 22 1 20 23 1 21 23 1 21 24 1', '24 28 H 16.02 -13.53 H 17.26 -11.49 C 20.99 -8.21 C 14.71 -14.62 C 16.02 -9.64 O 20.56 -9.49 O 20.99 -11.09 C 13.51 -11.09 C 17.26 -13.23 C 14.71 -10.36 C 18.51 -12.50 C 17.89 -9.49 C 17.26 -8.94 C 13.51 -13.89 C 19.24 -9.99 C 19.75 -10.36 C 19.75 -8.94 C 18.51 -8.21 C 13.51 -12.50 C 16.02 -12.50 C 17.26 -10.36 C 14.71 -13.23 C 16.02 -11.09 C 18.51 -11.09 20 1 -1 21 2 -1 17 3 -2 22 4 -2 23 5 -2 6 15 2 7 16 2 8 10 1 8 19 1 9 11 1 9 20 1 10 23 1 11 24 1 12 15 1 18 12 -2 13 18 1 13 21 1 19 14 -1 14 22 1 24 15 -2 16 17 1 16 24 1 17 18 1 19 22 1 20 22 1 20 23 1 21 23 1 21 24 1', '24 28 H 16.02 -13.53 H 17.26 -11.49 C:15 20.99 -8.21 C:24 14.71 -14.62 C:12 16.02 -9.64 O 20.56 -9.49 O 20.99 -11.09 C:22 13.51 -11.09 C:19 17.26 -13.23 C:33 14.71 -10.36 C:23 18.51 -12.50 C:40 17.89 -9.49 C:29 17.26 -8.94 C:21 13.51 -13.89 C:211 19.24 -9.99 C:209 19.75 -10.36 C:45 19.75 -8.94 C:32 18.51 -8.21 C:19 13.51 -12.50 C:50 16.02 -12.50 C:45 17.26 -10.36 C:16 14.71 -13.23 C:39 16.02 -11.09 C:67 18.51 -11.09 20 1 -1 21 2 -1 17 3 -2 22 4 -2 23 5 -2 6 15 2 7 16 2 8 10 1 8 19 1 9 11 1 9 20 1 10 23 1 11 24 1 12 15 1 18 12 -2 13 18 1 13 21 1 19 14 -1 14 22 1 24 15 -2 16 17 1 16 24 1 17 18 1 19 22 1 20 22 1 20 23 1 21 23 1 21 24 1', 'C20H28O2', 300.229, 'M', 'tt06_3266_28b', 4306, '', '', '1', 1, NULL, NULL),
(15075, '', '15b-Hydroxy-16aH-ent-atisan-14-one', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[C:14](=O)[CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@@H:16]([CH3:17])[C@@H:15]4O', '[H][C@]23CC[C@@]14C(=O)C[C@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)C)[C@@H](C)[C@@H]4O', '[H][C@:55]23[CH2:21][CH2:29][C@@:53]14[C:216](=O)[CH2:46][C@H:33]([CH2:18][C@@:49]1([H])[C@:38]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@:33]3([CH3:22])[CH3:33])[C@@H:41]([CH3:19])[C@@H:86]4O', '24 27 H 16.00 -13.72 H 17.24 -11.68 C:17 20.96 -8.39 C:19 13.63 -14.32 C:18 15.59 -14.47 C:20 16.00 -9.84 O 20.43 -9.52 O 20.96 -11.28 C:2 13.49 -11.28 C:3 13.49 -12.69 C:1 14.69 -10.55 C:6 17.24 -13.42 C:7 18.49 -12.69 C:13 17.87 -9.67 C:11 17.24 -9.12 C:14 19.22 -10.18 C:16 19.73 -9.12 C:12 18.49 -8.39 C:15 19.73 -10.55 C:4 14.69 -13.42 C:5 16.00 -12.69 C:9 17.24 -10.55 C:10 16.00 -11.28 C:8 18.49 -11.28 21 1 -1 22 2 -1 17 3 -1 20 4 -2 20 5 -1 23 6 -2 7 16 2 19 8 -2 9 10 1 9 11 1 10 20 1 11 23 1 12 13 1 12 21 1 13 24 1 14 16 1 18 14 -2 15 18 1 15 22 1 24 16 -2 17 18 1 17 19 1 19 24 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.00 -13.72 H 17.24 -11.68 C 20.96 -8.39 C 13.63 -14.32 C 15.59 -14.47 C 16.00 -9.84 O 20.43 -9.52 O 20.96 -11.28 C 13.49 -11.28 C 13.49 -12.69 C 14.69 -10.55 C 17.24 -13.42 C 18.49 -12.69 C 17.87 -9.67 C 17.24 -9.12 C 19.22 -10.18 C 19.73 -9.12 C 18.49 -8.39 C 19.73 -10.55 C 14.69 -13.42 C 16.00 -12.69 C 17.24 -10.55 C 16.00 -11.28 C 18.49 -11.28 21 1 -1 22 2 -1 17 3 -1 20 4 -2 20 5 -1 23 6 -2 7 16 2 19 8 -2 9 10 1 9 11 1 10 20 1 11 23 1 12 13 1 12 21 1 13 24 1 14 16 1 18 14 -2 15 18 1 15 22 1 24 16 -2 17 18 1 17 19 1 19 24 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.00 -13.72 H 17.24 -11.68 C:19 20.96 -8.39 C:22 13.63 -14.32 C:33 15.59 -14.47 C:14 16.00 -9.84 O 20.43 -9.52 O 20.96 -11.28 C:19 13.49 -11.28 C:42 13.49 -12.69 C:39 14.69 -10.55 C:21 17.24 -13.42 C:29 18.49 -12.69 C:46 17.87 -9.67 C:18 17.24 -9.12 C:216 19.22 -10.18 C:41 19.73 -9.12 C:33 18.49 -8.39 C:86 19.73 -10.55 C:33 14.69 -13.42 C:55 16.00 -12.69 C:49 17.24 -10.55 C:38 16.00 -11.28 C:53 18.49 -11.28 21 1 -1 22 2 -1 17 3 -1 20 4 -2 20 5 -1 23 6 -2 7 16 2 19 8 -2 9 10 1 9 11 1 10 20 1 11 23 1 12 13 1 12 21 1 13 24 1 14 16 1 18 14 -2 15 18 1 15 22 1 24 16 -2 17 18 1 17 19 1 19 24 1 20 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'M', 'tt06_3266_29a', 4306, '', '', '1', 1, NULL, NULL),
(15076, '', '15a-hydroxy-16aH-ent-atisan-14-one', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[C:14](=O)[CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@@H:16]([CH3:17])[C@H:15]4O', '[H][C@]23CC[C@@]14C(=O)C[C@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)C)[C@@H](C)[C@H]4O', '[H][C@:55]23[CH2:21][CH2:26][C@@:53]14[C:218](=O)[CH2:46][C@H:34]([CH2:18][C@@:42]1([H])[C@:38]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@:33]3([CH3:22])[CH3:34])[C@@H:36]([CH3:13])[C@H:71]4O', '24 27 H 16.00 -13.72 H 17.24 -11.68 C:17 20.96 -8.39 C:19 13.63 -14.32 C:18 15.59 -14.47 C:20 16.00 -9.84 O 20.43 -9.52 O 20.96 -11.28 C:2 13.49 -11.28 C:3 13.49 -12.69 C:1 14.69 -10.55 C:6 17.24 -13.42 C:7 18.49 -12.69 C:13 17.87 -9.67 C:11 17.24 -9.12 C:14 19.22 -10.18 C:16 19.73 -9.12 C:12 18.49 -8.39 C:15 19.73 -10.55 C:4 14.69 -13.42 C:5 16.00 -12.69 C:9 17.24 -10.55 C:10 16.00 -11.28 C:8 18.49 -11.28 21 1 -1 22 2 -1 17 3 -1 20 4 -2 20 5 -1 23 6 -2 7 16 2 19 8 -1 9 10 1 9 11 1 10 20 1 11 23 1 12 13 1 12 21 1 13 24 1 14 16 1 18 14 -2 15 18 1 15 22 1 24 16 -2 17 18 1 17 19 1 19 24 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.00 -13.72 H 17.24 -11.68 C 20.96 -8.39 C 13.63 -14.32 C 15.59 -14.47 C 16.00 -9.84 O 20.43 -9.52 O 20.96 -11.28 C 13.49 -11.28 C 13.49 -12.69 C 14.69 -10.55 C 17.24 -13.42 C 18.49 -12.69 C 17.87 -9.67 C 17.24 -9.12 C 19.22 -10.18 C 19.73 -9.12 C 18.49 -8.39 C 19.73 -10.55 C 14.69 -13.42 C 16.00 -12.69 C 17.24 -10.55 C 16.00 -11.28 C 18.49 -11.28 21 1 -1 22 2 -1 17 3 -1 20 4 -2 20 5 -1 23 6 -2 7 16 2 19 8 -1 9 10 1 9 11 1 10 20 1 11 23 1 12 13 1 12 21 1 13 24 1 14 16 1 18 14 -2 15 18 1 15 22 1 24 16 -2 17 18 1 17 19 1 19 24 1 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 16.00 -13.72 H 17.24 -11.68 C:13 20.96 -8.39 C:22 13.63 -14.32 C:34 15.59 -14.47 C:14 16.00 -9.84 O 20.43 -9.52 O 20.96 -11.28 C:19 13.49 -11.28 C:42 13.49 -12.69 C:39 14.69 -10.55 C:21 17.24 -13.42 C:26 18.49 -12.69 C:46 17.87 -9.67 C:18 17.24 -9.12 C:218 19.22 -10.18 C:36 19.73 -9.12 C:34 18.49 -8.39 C:71 19.73 -10.55 C:33 14.69 -13.42 C:55 16.00 -12.69 C:42 17.24 -10.55 C:38 16.00 -11.28 C:53 18.49 -11.28 21 1 -1 22 2 -1 17 3 -1 20 4 -2 20 5 -1 23 6 -2 7 16 2 19 8 -1 9 10 1 9 11 1 10 20 1 11 23 1 12 13 1 12 21 1 13 24 1 14 16 1 18 14 -2 15 18 1 15 22 1 24 16 -2 17 18 1 17 19 1 19 24 1 20 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'M', 'tt06_3266_29b', 4306, '', '', '1', 1, NULL, NULL),
(15077, '', '15a-Iodo-ent-trachyloban-14-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[C:14](=O)[C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@:16]4([CH3:17])[C@@H:15]5I', '[H][C@]23CC[C@@]15C(=O)[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@]4(C)[C@@H]5I', '[H][C@:52]23[CH2:18][CH2:29][C@@:50]15[C:207](=O)[C@@H:43]4[C@H:38]([CH2:17][C@@:55]1([H])[C@:38]2([CH3:14])[CH2:39][CH2:19][CH2:42][C@@:33]3([CH3:33])[CH3:21])[C@:38]4([CH3:21])[C@@H:57]5I', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:18 15.64 -14.56 C:19 13.86 -14.45 C:20 15.92 -9.74 C:17 21.05 -8.26 O 16.68 -8.97 I 20.91 -11.21 C:2 13.41 -11.21 C:3 13.41 -12.64 C:1 14.70 -10.48 C:6 17.21 -13.41 C:7 18.46 -12.64 C:11 17.21 -8.97 C:14 18.00 -10.05 C:15 19.72 -10.48 C:12 18.46 -8.26 C:13 18.81 -9.61 C:4 14.70 -13.41 C:5 15.92 -12.64 C:9 17.21 -10.48 C:10 15.92 -11.21 C:16 19.72 -8.97 C:8 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C 15.64 -14.56 C 13.86 -14.45 C 15.92 -9.74 C 21.05 -8.26 O 16.68 -8.97 I 20.91 -11.21 C 13.41 -11.21 C 13.41 -12.64 C 14.70 -10.48 C 17.21 -13.41 C 18.46 -12.64 C 17.21 -8.97 C 18.00 -10.05 C 19.72 -10.48 C 18.46 -8.26 C 18.81 -9.61 C 14.70 -13.41 C 15.92 -12.64 C 17.21 -10.48 C 15.92 -11.21 C 19.72 -8.97 C 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:33 15.64 -14.56 C:21 13.86 -14.45 C:14 15.92 -9.74 C:21 21.05 -8.26 O 16.68 -8.97 I 20.91 -11.21 C:19 13.41 -11.21 C:42 13.41 -12.64 C:39 14.70 -10.48 C:18 17.21 -13.41 C:29 18.46 -12.64 C:17 17.21 -8.97 C:207 18.00 -10.05 C:57 19.72 -10.48 C:38 18.46 -8.26 C:43 18.81 -9.61 C:33 14.70 -13.41 C:52 15.92 -12.64 C:55 17.21 -10.48 C:38 15.92 -11.21 C:38 19.72 -8.97 C:50 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', 'C20H29IO', 412.134, 'M', 'tt06_3266_31', 4306, '', '', '1', 1, NULL, NULL),
(15078, '', 'ent-Atis-15-en-14-one', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]12[CH:15]=[C:16]([CH3:17])[C@H:12]([CH2:13][C:14]1=O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:19])[CH3:18]', '[H][C@]34CC[C@@]12C=C(C)[C@H](CC1=O)C[C@@]2([H])[C@]3(C)CCC[C@]4(C)C', '[H][C@:56]34[CH2:19][CH2:27][C@@:67]12[CH:129]=[C:146]([CH3:20])[C@H:37]([CH2:42][C:215]1=O)[CH2:30][C@@:55]2([H])[C@:38]3([CH3:13])[CH2:40][CH2:18][CH2:42][C@:33]4([CH3:22])[CH3:34]', '23 26 H 16.02 -13.73 H 17.25 -11.69 C:17 20.99 -8.41 C:19 13.65 -14.34 C:18 15.61 -14.48 C:20 16.02 -9.85 O 20.49 -9.59 C:15 19.76 -10.56 C:2 13.50 -11.30 C:3 13.50 -12.70 C:1 14.71 -10.56 C:6 17.25 -13.44 C:7 18.50 -12.70 C:13 17.89 -9.68 C:11 17.25 -9.14 C:16 19.76 -9.14 C:14 19.23 -10.20 C:12 18.50 -8.41 C:4 14.71 -13.44 C:5 16.02 -12.70 C:9 17.25 -10.56 C:10 16.02 -11.30 C:8 18.50 -11.30 20 1 -1 21 2 -1 3 16 1 19 4 -2 19 5 -1 22 6 -2 7 17 2 8 16 2 8 23 1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 23 1 14 17 1 18 14 -2 15 18 1 15 21 1 16 18 1 23 17 -2 19 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.02 -13.73 H 17.25 -11.69 C 20.99 -8.41 C 13.65 -14.34 C 15.61 -14.48 C 16.02 -9.85 O 20.49 -9.59 C 19.76 -10.56 C 13.50 -11.30 C 13.50 -12.70 C 14.71 -10.56 C 17.25 -13.44 C 18.50 -12.70 C 17.89 -9.68 C 17.25 -9.14 C 19.76 -9.14 C 19.23 -10.20 C 18.50 -8.41 C 14.71 -13.44 C 16.02 -12.70 C 17.25 -10.56 C 16.02 -11.30 C 18.50 -11.30 20 1 -1 21 2 -1 3 16 1 19 4 -2 19 5 -1 22 6 -2 7 17 2 8 16 2 8 23 1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 23 1 14 17 1 18 14 -2 15 18 1 15 21 1 16 18 1 23 17 -2 19 20 1 20 22 1 21 22 1 21 23 1', '23 26 H 16.02 -13.73 H 17.25 -11.69 C:20 20.99 -8.41 C:22 13.65 -14.34 C:34 15.61 -14.48 C:13 16.02 -9.85 O 20.49 -9.59 C:129 19.76 -10.56 C:18 13.50 -11.30 C:42 13.50 -12.70 C:40 14.71 -10.56 C:19 17.25 -13.44 C:27 18.50 -12.70 C:42 17.89 -9.68 C:30 17.25 -9.14 C:146 19.76 -9.14 C:215 19.23 -10.20 C:37 18.50 -8.41 C:33 14.71 -13.44 C:56 16.02 -12.70 C:55 17.25 -10.56 C:38 16.02 -11.30 C:67 18.50 -11.30 20 1 -1 21 2 -1 3 16 1 19 4 -2 19 5 -1 22 6 -2 7 17 2 8 16 2 8 23 1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 23 1 14 17 1 18 14 -2 15 18 1 15 21 1 16 18 1 23 17 -2 19 20 1 20 22 1 21 22 1 21 23 1', 'C20H30O', 286.229, 'M', 'tt06_3266_32', 4306, '', '', '1', 1, NULL, NULL),
(15079, '', 'ent-Trachylobane-14a,15b-diol', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]15[C@H:14](O)[C@@H:13]4[C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@:16]4([CH3:17])[C@H:15]5O', '[H][C@]23CC[C@@]15[C@H](O)[C@@H]4[C@H](C[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@]4(C)[C@H]5O', '[H][C@:56]23[CH2:20][CH2:35][C@@:43]15[C@H:80](O)[C@@H:27]4[C@H:21]([CH2:19][C@@:43]1([H])[C@:36]2([CH3:16])[CH2:41][CH2:19][CH2:42][C@@:33]3([CH3:33])[CH3:22])[C@:26]4([CH3:18])[C@H:79]5O', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:18 15.64 -14.56 C:19 13.86 -14.45 C:20 15.92 -9.74 C:17 21.05 -8.26 O 16.68 -8.97 O 20.91 -11.21 C:2 13.41 -11.21 C:3 13.41 -12.64 C:1 14.70 -10.48 C:6 17.21 -13.41 C:7 18.46 -12.64 C:11 17.21 -8.97 C:14 18.00 -10.05 C:15 19.72 -10.48 C:12 18.46 -8.26 C:13 18.81 -9.61 C:4 14.70 -13.41 C:5 15.92 -12.64 C:9 17.21 -10.48 C:10 15.92 -11.21 C:16 19.72 -8.97 C:8 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 15 7 -2 16 8 -1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C 15.64 -14.56 C 13.86 -14.45 C 15.92 -9.74 C 21.05 -8.26 O 16.68 -8.97 O 20.91 -11.21 C 13.41 -11.21 C 13.41 -12.64 C 14.70 -10.48 C 17.21 -13.41 C 18.46 -12.64 C 17.21 -8.97 C 18.00 -10.05 C 19.72 -10.48 C 18.46 -8.26 C 18.81 -9.61 C 14.70 -13.41 C 15.92 -12.64 C 17.21 -10.48 C 15.92 -11.21 C 19.72 -8.97 C 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 15 7 -2 16 8 -1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', '24 28 H 15.92 -13.71 H 17.21 -11.63 C:33 15.64 -14.56 C:22 13.86 -14.45 C:16 15.92 -9.74 C:18 21.05 -8.26 O 16.68 -8.97 O 20.91 -11.21 C:19 13.41 -11.21 C:42 13.41 -12.64 C:41 14.70 -10.48 C:20 17.21 -13.41 C:35 18.46 -12.64 C:19 17.21 -8.97 C:80 18.00 -10.05 C:79 19.72 -10.48 C:21 18.46 -8.26 C:27 18.81 -9.61 C:33 14.70 -13.41 C:56 15.92 -12.64 C:43 17.21 -10.48 C:36 15.92 -11.21 C:26 19.72 -8.97 C:43 18.46 -11.21 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -2 23 6 -1 15 7 -2 16 8 -1 9 10 1 9 11 1 10 19 1 11 22 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 18 1 24 15 -2 16 23 1 16 24 1 17 18 -2 17 23 1 18 23 -2 19 20 1 20 22 1 21 22 1 21 24 1', 'C20H32O2', 304.229, 'M', 'tt06_3266_33', 4306, '', '', '1', 1, NULL, NULL),
(15080, '', 'ent-Atis-13-en-15a,16b-diol', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH:14]=[CH:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@@:16]([CH3:17])(O)[C@@H:15]4O', '[H][C@]23CC[C@@]14C=C[C@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)C)[C@@](C)(O)[C@@H]4O', '[H][C@:55]23[CH2:19][CH2:33][C@@:45]14[CH:133]=[CH:133][C@H:44]([CH2:22][C@@:50]1([H])[C@:38]2([CH3:16])[CH2:39][CH2:18][CH2:42][C@:34]3([CH3:22])[CH3:34])[C@@:77]([CH3:26])(O)[C@@H:88]4O', '24 27 H 15.92 -13.93 H 17.17 -11.89 C:19 13.65 -14.61 C:18 15.64 -14.72 C:17 21.05 -9.34 C:20 15.92 -10.05 O 20.87 -11.49 O 20.37 -8.14 C:13 17.80 -9.89 C:14 19.15 -10.40 C:2 13.44 -11.49 C:3 13.44 -12.91 C:1 14.65 -10.77 C:6 17.17 -13.64 C:7 18.41 -12.91 C:11 17.17 -9.34 C:12 18.41 -8.61 C:15 19.65 -10.77 C:4 14.65 -13.64 C:16 19.65 -9.34 C:5 15.92 -12.91 C:9 17.17 -10.77 C:10 15.92 -11.49 C:8 18.41 -11.49 21 1 -1 22 2 -1 19 3 -2 19 4 -1 20 5 -2 23 6 -2 18 7 -2 20 8 -1 9 10 2 17 9 -2 24 10 -2 11 12 1 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 24 1 16 17 1 16 22 1 17 20 1 18 20 1 18 24 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.92 -13.93 H 17.17 -11.89 C 13.65 -14.61 C 15.64 -14.72 C 21.05 -9.34 C 15.92 -10.05 O 20.87 -11.49 O 20.37 -8.14 C 17.80 -9.89 C 19.15 -10.40 C 13.44 -11.49 C 13.44 -12.91 C 14.65 -10.77 C 17.17 -13.64 C 18.41 -12.91 C 17.17 -9.34 C 18.41 -8.61 C 19.65 -10.77 C 14.65 -13.64 C 19.65 -9.34 C 15.92 -12.91 C 17.17 -10.77 C 15.92 -11.49 C 18.41 -11.49 21 1 -1 22 2 -1 19 3 -2 19 4 -1 20 5 -2 23 6 -2 18 7 -2 20 8 -1 9 10 2 17 9 -2 24 10 -2 11 12 1 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 24 1 16 17 1 16 22 1 17 20 1 18 20 1 18 24 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.92 -13.93 H 17.17 -11.89 C:22 13.65 -14.61 C:34 15.64 -14.72 C:26 21.05 -9.34 C:16 15.92 -10.05 O 20.87 -11.49 O 20.37 -8.14 C:133 17.80 -9.89 C:133 19.15 -10.40 C:18 13.44 -11.49 C:42 13.44 -12.91 C:39 14.65 -10.77 C:19 17.17 -13.64 C:33 18.41 -12.91 C:22 17.17 -9.34 C:44 18.41 -8.61 C:88 19.65 -10.77 C:34 14.65 -13.64 C:77 19.65 -9.34 C:55 15.92 -12.91 C:50 17.17 -10.77 C:38 15.92 -11.49 C:45 18.41 -11.49 21 1 -1 22 2 -1 19 3 -2 19 4 -1 20 5 -2 23 6 -2 18 7 -2 20 8 -1 9 10 2 17 9 -2 24 10 -2 11 12 1 11 13 1 12 19 1 13 23 1 14 15 1 14 21 1 15 24 1 16 17 1 16 22 1 17 20 1 18 20 1 18 24 1 19 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'M', 'tt06_3266_34', 4306, '', '', '1', 1, NULL, NULL),
(15081, '', '14a-Hydroxy-ent-beyeran-15-one', 'Terpenoids', 'Diterpenoids', 'Beyeranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[C:15](=O)[CH2:16][C@@:13]([CH3:17])([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@@H:14]4O', '[H][C@]23CC[C@@]14C(=O)C[C@@](C)(CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@@H]4O', '[H][C@:55]23[CH2:19][CH2:31][C@@:55]14[C:220](=O)[CH2:49][C@@:38]([CH3:24])([CH2:31][CH2:19][C@@:47]1([H])[C@:38]2([CH3:14])[CH2:40][CH2:19][CH2:42][C@@:33]3([CH3:34])[CH3:22])[C@@H:81]4O', '24 27 H 15.78 -14.00 H 16.99 -11.90 C:18 15.51 -14.75 C:19 13.54 -14.66 C:17 19.42 -8.14 C:20 15.78 -10.25 O 20.37 -13.17 O 21.11 -11.64 C:2 13.35 -11.64 C:3 13.35 -13.00 C:12 18.19 -8.84 C:1 14.55 -10.94 C:11 16.99 -9.54 C:6 16.99 -13.73 C:7 18.19 -13.00 C:16 20.56 -10.53 C:15 19.77 -11.90 C:14 19.42 -10.94 C:4 14.55 -13.73 C:13 19.42 -9.54 C:5 15.78 -13.00 C:9 16.99 -10.94 C:10 15.78 -11.64 C:8 18.19 -11.64 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 1 9 12 1 10 19 1 11 13 1 11 20 1 12 23 1 13 22 1 14 15 1 14 21 1 15 24 1 16 17 1 20 16 -2 24 17 -2 18 20 1 18 24 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.78 -14.00 H 16.99 -11.90 C 15.51 -14.75 C 13.54 -14.66 C 19.42 -8.14 C 15.78 -10.25 O 20.37 -13.17 O 21.11 -11.64 C 13.35 -11.64 C 13.35 -13.00 C 18.19 -8.84 C 14.55 -10.94 C 16.99 -9.54 C 16.99 -13.73 C 18.19 -13.00 C 20.56 -10.53 C 19.77 -11.90 C 19.42 -10.94 C 14.55 -13.73 C 19.42 -9.54 C 15.78 -13.00 C 16.99 -10.94 C 15.78 -11.64 C 18.19 -11.64 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 1 9 12 1 10 19 1 11 13 1 11 20 1 12 23 1 13 22 1 14 15 1 14 21 1 15 24 1 16 17 1 20 16 -2 24 17 -2 18 20 1 18 24 1 19 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.78 -14.00 H 16.99 -11.90 C:34 15.51 -14.75 C:22 13.54 -14.66 C:24 19.42 -8.14 C:14 15.78 -10.25 O 20.37 -13.17 O 21.11 -11.64 C:19 13.35 -11.64 C:42 13.35 -13.00 C:31 18.19 -8.84 C:40 14.55 -10.94 C:19 16.99 -9.54 C:19 16.99 -13.73 C:31 18.19 -13.00 C:49 20.56 -10.53 C:220 19.77 -11.90 C:81 19.42 -10.94 C:33 14.55 -13.73 C:38 19.42 -9.54 C:55 15.78 -13.00 C:47 16.99 -10.94 C:38 15.78 -11.64 C:55 18.19 -11.64 21 1 -1 22 2 -1 19 3 -1 19 4 -2 5 20 1 23 6 -2 7 17 2 18 8 -2 9 10 1 9 12 1 10 19 1 11 13 1 11 20 1 12 23 1 13 22 1 14 15 1 14 21 1 15 24 1 16 17 1 20 16 -2 24 17 -2 18 20 1 18 24 1 19 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'M', 'tt06_3266_36', 4306, '', '', '1', 1, NULL, NULL),
(15082, '', '14a-Formyloxy-ent-trachyloban-15b-ol', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]15[C@H:15](O)[C@@:16]4([CH3:17])[C@@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@H:13]4[C@H:14]5O[CH:14001]=O', '[H][C@]23CC[C@]15[C@H](O)[C@@]4(C)[C@@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)C)[C@H]4[C@H]5OC=O', '[H][C@:56]23[CH2:20][CH2:35][C@:43]15[C@H:79](O)[C@@:27]4([CH3:18])[C@@H:21]([CH2:19][C@@:43]1([H])[C@:37]2([CH3:16])[CH2:41][CH2:17][CH2:42][C@:33]3([CH3:22])[CH3:33])[C@H:24]4[C@H:80]5O[CH:161]=O', '26 30 H 15.98 -14.44 H 17.25 -12.40 C:19 13.70 -15.14 C:18 15.72 -15.24 C:17 21.05 -9.06 C:20 15.98 -10.53 O 15.21 -7.64 O 20.95 -11.97 C:14001 16.42 -8.34 C:2 13.48 -11.97 C:3 13.48 -13.40 C:1 14.72 -11.25 C:6 17.25 -14.15 C:7 18.49 -13.40 C:11 17.25 -9.74 O 16.42 -9.74 C:15 19.74 -11.25 C:12 18.49 -9.06 C:14 18.02 -10.83 C:13 18.83 -10.38 C:4 14.72 -14.15 C:5 15.98 -13.40 C:9 17.25 -11.25 C:16 19.74 -9.74 C:10 15.98 -11.97 C:8 18.49 -11.97 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -1 25 6 -2 7 9 2 17 8 -1 9 16 1 10 11 1 10 12 1 11 21 1 12 25 1 13 14 1 13 22 1 14 26 1 15 18 1 15 23 1 19 16 -2 17 24 1 17 26 1 18 20 -2 18 24 1 19 20 1 26 19 -2 20 24 -2 21 22 1 22 25 1 23 25 1 23 26 1', '26 30 H 15.98 -14.44 H 17.25 -12.40 C 13.70 -15.14 C 15.72 -15.24 C 21.05 -9.06 C 15.98 -10.53 O 15.21 -7.64 O 20.95 -11.97 C 16.42 -8.34 C 13.48 -11.97 C 13.48 -13.40 C 14.72 -11.25 C 17.25 -14.15 C 18.49 -13.40 C 17.25 -9.74 O 16.42 -9.74 C 19.74 -11.25 C 18.49 -9.06 C 18.02 -10.83 C 18.83 -10.38 C 14.72 -14.15 C 15.98 -13.40 C 17.25 -11.25 C 19.74 -9.74 C 15.98 -11.97 C 18.49 -11.97 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -1 25 6 -2 7 9 2 17 8 -1 9 16 1 10 11 1 10 12 1 11 21 1 12 25 1 13 14 1 13 22 1 14 26 1 15 18 1 15 23 1 19 16 -2 17 24 1 17 26 1 18 20 -2 18 24 1 19 20 1 26 19 -2 20 24 -2 21 22 1 22 25 1 23 25 1 23 26 1', '26 30 H 15.98 -14.44 H 17.25 -12.40 C:22 13.70 -15.14 C:33 15.72 -15.24 C:18 21.05 -9.06 C:16 15.98 -10.53 O 15.21 -7.64 O 20.95 -11.97 C:161 16.42 -8.34 C:17 13.48 -11.97 C:42 13.48 -13.40 C:41 14.72 -11.25 C:20 17.25 -14.15 C:35 18.49 -13.40 C:19 17.25 -9.74 O 16.42 -9.74 C:79 19.74 -11.25 C:21 18.49 -9.06 C:80 18.02 -10.83 C:24 18.83 -10.38 C:33 14.72 -14.15 C:56 15.98 -13.40 C:43 17.25 -11.25 C:27 19.74 -9.74 C:37 15.98 -11.97 C:43 18.49 -11.97 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -1 25 6 -2 7 9 2 17 8 -1 9 16 1 10 11 1 10 12 1 11 21 1 12 25 1 13 14 1 13 22 1 14 26 1 15 18 1 15 23 1 19 16 -2 17 24 1 17 26 1 18 20 -2 18 24 1 19 20 1 26 19 -2 20 24 -2 21 22 1 22 25 1 23 25 1 23 26 1', 'C21H32O3', 332.239, 'M', 'tt06_3266_37', 4306, '', '', '1', 1, NULL, NULL),
(15083, '', '14a-Formyloxy-ent-trachyloban-15-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]15[C:15](=O)[C@@:16]4([CH3:17])[C@@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@H:13]4[C@H:14]5O[CH:14001]=O', '[H][C@]23CC[C@]15C(=O)[C@@]4(C)[C@@H](C[C@@]1([H])[C@]2(C)CCC[C@]3(C)C)[C@H]4[C@H]5OC=O', '[H][C@:55]23[CH2:19][CH2:29][C@:49]15[C:210](=O)[C@@:38]4([CH3:13])[C@@H:33]([CH2:18][C@@:57]1([H])[C@:38]2([CH3:16])[CH2:41][CH2:19][CH2:42][C@:33]3([CH3:22])[CH3:33])[C@H:34]4[C@H:77]5O[CH:161]=O', '26 30 H 15.98 -14.44 H 17.25 -12.40 C:19 13.70 -15.14 C:18 15.72 -15.24 C:20 15.98 -10.53 C:17 21.05 -9.06 O 15.21 -7.64 O 20.95 -11.97 C:14001 16.42 -8.34 C:2 13.48 -11.97 C:3 13.48 -13.40 C:1 14.72 -11.25 C:6 17.25 -14.15 C:7 18.49 -13.40 C:11 17.25 -9.74 O 16.42 -9.74 C:15 19.74 -11.25 C:12 18.49 -9.06 C:14 18.02 -10.83 C:13 18.83 -10.38 C:4 14.72 -14.15 C:5 15.98 -13.40 C:9 17.25 -11.25 C:10 15.98 -11.97 C:16 19.74 -9.74 C:8 18.49 -11.97 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 25 6 -1 7 9 2 8 17 2 9 16 1 10 11 1 10 12 1 11 21 1 12 24 1 13 14 1 13 22 1 14 26 1 15 18 1 15 23 1 19 16 -2 17 25 1 17 26 1 18 20 -2 18 25 1 19 20 1 26 19 -2 20 25 -2 21 22 1 22 24 1 23 24 1 23 26 1', '26 30 H 15.98 -14.44 H 17.25 -12.40 C 13.70 -15.14 C 15.72 -15.24 C 15.98 -10.53 C 21.05 -9.06 O 15.21 -7.64 O 20.95 -11.97 C 16.42 -8.34 C 13.48 -11.97 C 13.48 -13.40 C 14.72 -11.25 C 17.25 -14.15 C 18.49 -13.40 C 17.25 -9.74 O 16.42 -9.74 C 19.74 -11.25 C 18.49 -9.06 C 18.02 -10.83 C 18.83 -10.38 C 14.72 -14.15 C 15.98 -13.40 C 17.25 -11.25 C 15.98 -11.97 C 19.74 -9.74 C 18.49 -11.97 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 25 6 -1 7 9 2 8 17 2 9 16 1 10 11 1 10 12 1 11 21 1 12 24 1 13 14 1 13 22 1 14 26 1 15 18 1 15 23 1 19 16 -2 17 25 1 17 26 1 18 20 -2 18 25 1 19 20 1 26 19 -2 20 25 -2 21 22 1 22 24 1 23 24 1 23 26 1', '26 30 H 15.98 -14.44 H 17.25 -12.40 C:22 13.70 -15.14 C:33 15.72 -15.24 C:16 15.98 -10.53 C:13 21.05 -9.06 O 15.21 -7.64 O 20.95 -11.97 C:161 16.42 -8.34 C:19 13.48 -11.97 C:42 13.48 -13.40 C:41 14.72 -11.25 C:19 17.25 -14.15 C:29 18.49 -13.40 C:18 17.25 -9.74 O 16.42 -9.74 C:210 19.74 -11.25 C:33 18.49 -9.06 C:77 18.02 -10.83 C:34 18.83 -10.38 C:33 14.72 -14.15 C:55 15.98 -13.40 C:57 17.25 -11.25 C:38 15.98 -11.97 C:38 19.74 -9.74 C:49 18.49 -11.97 22 1 -1 23 2 -1 21 3 -2 21 4 -1 24 5 -2 25 6 -1 7 9 2 8 17 2 9 16 1 10 11 1 10 12 1 11 21 1 12 24 1 13 14 1 13 22 1 14 26 1 15 18 1 15 23 1 19 16 -2 17 25 1 17 26 1 18 20 -2 18 25 1 19 20 1 26 19 -2 20 25 -2 21 22 1 22 24 1 23 24 1 23 26 1', 'C21H30O3', 330.239, 'M', 'tt06_3266_38', 4306, '', '', '1', 1, NULL, NULL),
(15084, '', '14a-Hydroxy-ent-trachyloban-15-one', 'Terpenoids', 'Diterpenoids', 'Trachylobanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]15[C:15](=O)[C@@:16]4([CH3:17])[C@@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@H:13]4[C@H:14]5O', '[H][C@]23CC[C@]15C(=O)[C@@]4(C)[C@@H](C[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@H]4[C@H]5O', '[H][C@:55]23[CH2:19][CH2:29][C@:50]15[C:212](=O)[C@@:37]4([CH3:13])[C@@H:33]([CH2:18][C@@:56]1([H])[C@:37]2([CH3:16])[CH2:41][CH2:19][CH2:42][C@@:33]3([CH3:34])[CH3:22])[C@H:36]4[C@H:77]5O', '24 28 H 15.98 -13.71 H 17.25 -11.67 C:18 15.72 -14.51 C:19 13.70 -14.41 C:17 21.05 -8.33 C:20 15.98 -9.80 O 20.95 -11.24 O 16.42 -9.01 C:2 13.48 -11.24 C:3 13.48 -12.67 C:1 14.72 -10.52 C:6 17.25 -13.42 C:7 18.49 -12.67 C:11 17.25 -9.01 C:15 19.74 -10.52 C:14 18.02 -10.10 C:12 18.49 -8.33 C:13 18.83 -9.65 C:4 14.72 -13.42 C:5 15.98 -12.67 C:9 17.25 -10.52 C:16 19.74 -9.01 C:10 15.98 -11.24 C:8 18.49 -11.24 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -1 23 6 -2 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 23 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 22 1 15 24 1 16 18 1 24 16 -2 17 18 -2 17 22 1 18 22 -2 19 20 1 20 23 1 21 23 1 21 24 1', '24 28 H 15.98 -13.71 H 17.25 -11.67 C 15.72 -14.51 C 13.70 -14.41 C 21.05 -8.33 C 15.98 -9.80 O 20.95 -11.24 O 16.42 -9.01 C 13.48 -11.24 C 13.48 -12.67 C 14.72 -10.52 C 17.25 -13.42 C 18.49 -12.67 C 17.25 -9.01 C 19.74 -10.52 C 18.02 -10.10 C 18.49 -8.33 C 18.83 -9.65 C 14.72 -13.42 C 15.98 -12.67 C 17.25 -10.52 C 19.74 -9.01 C 15.98 -11.24 C 18.49 -11.24 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -1 23 6 -2 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 23 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 22 1 15 24 1 16 18 1 24 16 -2 17 18 -2 17 22 1 18 22 -2 19 20 1 20 23 1 21 23 1 21 24 1', '24 28 H 15.98 -13.71 H 17.25 -11.67 C:34 15.72 -14.51 C:22 13.70 -14.41 C:13 21.05 -8.33 C:16 15.98 -9.80 O 20.95 -11.24 O 16.42 -9.01 C:19 13.48 -11.24 C:42 13.48 -12.67 C:41 14.72 -10.52 C:19 17.25 -13.42 C:29 18.49 -12.67 C:18 17.25 -9.01 C:212 19.74 -10.52 C:77 18.02 -10.10 C:33 18.49 -8.33 C:36 18.83 -9.65 C:33 14.72 -13.42 C:55 15.98 -12.67 C:56 17.25 -10.52 C:37 19.74 -9.01 C:37 15.98 -11.24 C:50 18.49 -11.24 20 1 -1 21 2 -1 19 3 -1 19 4 -2 22 5 -1 23 6 -2 7 15 2 16 8 -2 9 10 1 9 11 1 10 19 1 11 23 1 12 13 1 12 20 1 13 24 1 14 17 1 14 21 1 15 22 1 15 24 1 16 18 1 24 16 -2 17 18 -2 17 22 1 18 22 -2 19 20 1 20 23 1 21 23 1 21 24 1', 'C20H30O2', 302.229, 'M', 'tt06_3266_39', 4306, '', '', '1', 1, NULL, NULL),
(15085, '', '14a-Hydroxy-ent-kauran-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[C:15](=O)[C@H:16]([CH3:17])[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19])[C@@H:14]4O', '[H][C@]23CC[C@]14C(=O)[C@H](C)[C@@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C)[C@@H]4O', '[H][C@:56]23[CH2:19][CH2:33][C@:55]14[C:222](=O)[C@H:46]([CH3:10])[C@@H:40]([CH2:18][CH2:17][C@@:53]1([H])[C@:38]2([CH3:17])[CH2:40][CH2:20][CH2:42][C@@:33]3([CH3:33])[CH3:22])[C@@H:79]4O', '24 27 H 15.39 -13.62 H 16.59 -11.53 C:17 21.47 -9.88 C:18 15.11 -14.37 C:19 13.16 -14.28 C:20 15.39 -9.88 O 19.86 -12.95 O 20.78 -11.25 C:2 12.97 -11.25 C:12 17.79 -8.46 C:3 12.97 -12.63 C:1 14.16 -10.56 C:11 16.59 -9.16 C:6 16.59 -13.34 C:7 17.79 -12.63 C:15 19.33 -11.65 C:16 20.11 -10.17 C:14 18.98 -10.56 C:13 18.98 -9.16 C:4 14.16 -13.34 C:5 15.39 -12.63 C:9 16.59 -10.56 C:10 15.39 -11.25 C:8 17.79 -11.25 21 1 -1 22 2 -1 17 3 -1 20 4 -1 20 5 -2 23 6 -2 7 16 2 18 8 -2 9 11 1 9 12 1 10 13 1 10 19 1 11 20 1 12 23 1 13 22 1 14 15 1 14 21 1 15 24 1 16 17 1 16 24 1 17 19 1 19 18 -2 24 18 -2 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.39 -13.62 H 16.59 -11.53 C 21.47 -9.88 C 15.11 -14.37 C 13.16 -14.28 C 15.39 -9.88 O 19.86 -12.95 O 20.78 -11.25 C 12.97 -11.25 C 17.79 -8.46 C 12.97 -12.63 C 14.16 -10.56 C 16.59 -9.16 C 16.59 -13.34 C 17.79 -12.63 C 19.33 -11.65 C 20.11 -10.17 C 18.98 -10.56 C 18.98 -9.16 C 14.16 -13.34 C 15.39 -12.63 C 16.59 -10.56 C 15.39 -11.25 C 17.79 -11.25 21 1 -1 22 2 -1 17 3 -1 20 4 -1 20 5 -2 23 6 -2 7 16 2 18 8 -2 9 11 1 9 12 1 10 13 1 10 19 1 11 20 1 12 23 1 13 22 1 14 15 1 14 21 1 15 24 1 16 17 1 16 24 1 17 19 1 19 18 -2 24 18 -2 20 21 1 21 23 1 22 23 1 22 24 1', '24 27 H 15.39 -13.62 H 16.59 -11.53 C:10 21.47 -9.88 C:33 15.11 -14.37 C:22 13.16 -14.28 C:17 15.39 -9.88 O 19.86 -12.95 O 20.78 -11.25 C:20 12.97 -11.25 C:18 17.79 -8.46 C:42 12.97 -12.63 C:40 14.16 -10.56 C:17 16.59 -9.16 C:19 16.59 -13.34 C:33 17.79 -12.63 C:222 19.33 -11.65 C:46 20.11 -10.17 C:79 18.98 -10.56 C:40 18.98 -9.16 C:33 14.16 -13.34 C:56 15.39 -12.63 C:53 16.59 -10.56 C:38 15.39 -11.25 C:55 17.79 -11.25 21 1 -1 22 2 -1 17 3 -1 20 4 -1 20 5 -2 23 6 -2 7 16 2 18 8 -2 9 11 1 9 12 1 10 13 1 10 19 1 11 20 1 12 23 1 13 22 1 14 15 1 14 21 1 15 24 1 16 17 1 16 24 1 17 19 1 19 18 -2 24 18 -2 20 21 1 21 23 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'M', 'tt06_3266_40', 4306, '', '', '1', 1, NULL, NULL),
(15086, '', '14a-Acetoxy-ent-kauran-15-one', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[C:15](=O)[C@H:16]([CH3:17])[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@@H:14]4O[C:14001]([CH3:14002])=O', '[H][C@]23CC[C@]14C(=O)[C@H](C)[C@@H](CC[C@@]1([H])[C@]2(C)CCC[C@]3(C)C)[C@@H]4OC(C)=O', '[H][C@:56]23[CH2:19][CH2:33][C@:54]14[C:219](=O)[C@H:46]([CH3:10])[C@@H:37]([CH2:19][CH2:17][C@@:53]1([H])[C@:39]2([CH3:16])[CH2:40][CH2:19][CH2:42][C@:33]3([CH3:21])[CH3:33])[C@@H:79]4O[C:170]([CH3:22])=O', '27 30 H 14.59 -13.61 H 15.79 -11.52 C:14002 22.38 -11.52 C:17 20.66 -9.87 C:19 12.36 -14.26 C:18 14.31 -14.35 C:20 14.59 -9.87 O 21.43 -9.29 O 19.06 -12.94 C:2 12.17 -11.24 C:12 16.99 -8.45 C:3 12.17 -12.62 C:1 13.36 -10.55 C:11 15.79 -9.15 C:6 15.79 -13.33 C:7 16.99 -12.62 O 19.96 -11.24 C:14001 21.26 -10.68 C:15 18.53 -11.64 C:16 19.29 -10.16 C:13 18.18 -9.15 C:14 18.18 -10.55 C:4 13.36 -13.33 C:5 14.59 -12.62 C:9 15.79 -10.55 C:10 14.59 -11.24 C:8 16.99 -11.24 24 1 -1 25 2 -1 3 18 1 20 4 -1 23 5 -2 23 6 -1 26 7 -2 8 18 2 9 19 2 10 12 1 10 13 1 11 14 1 11 21 1 12 23 1 13 26 1 14 25 1 15 16 1 15 24 1 16 27 1 17 18 1 22 17 -2 19 20 1 19 27 1 20 21 1 21 22 -2 27 22 -2 23 24 1 24 26 1 25 26 1 25 27 1', '27 30 H 14.59 -13.61 H 15.79 -11.52 C 22.38 -11.52 C 20.66 -9.87 C 12.36 -14.26 C 14.31 -14.35 C 14.59 -9.87 O 21.43 -9.29 O 19.06 -12.94 C 12.17 -11.24 C 16.99 -8.45 C 12.17 -12.62 C 13.36 -10.55 C 15.79 -9.15 C 15.79 -13.33 C 16.99 -12.62 O 19.96 -11.24 C 21.26 -10.68 C 18.53 -11.64 C 19.29 -10.16 C 18.18 -9.15 C 18.18 -10.55 C 13.36 -13.33 C 14.59 -12.62 C 15.79 -10.55 C 14.59 -11.24 C 16.99 -11.24 24 1 -1 25 2 -1 3 18 1 20 4 -1 23 5 -2 23 6 -1 26 7 -2 8 18 2 9 19 2 10 12 1 10 13 1 11 14 1 11 21 1 12 23 1 13 26 1 14 25 1 15 16 1 15 24 1 16 27 1 17 18 1 22 17 -2 19 20 1 19 27 1 20 21 1 21 22 -2 27 22 -2 23 24 1 24 26 1 25 26 1 25 27 1', '27 30 H 14.59 -13.61 H 15.79 -11.52 C:22 22.38 -11.52 C:10 20.66 -9.87 C:21 12.36 -14.26 C:33 14.31 -14.35 C:16 14.59 -9.87 O 21.43 -9.29 O 19.06 -12.94 C:19 12.17 -11.24 C:19 16.99 -8.45 C:42 12.17 -12.62 C:40 13.36 -10.55 C:17 15.79 -9.15 C:19 15.79 -13.33 C:33 16.99 -12.62 O 19.96 -11.24 C:170 21.26 -10.68 C:219 18.53 -11.64 C:46 19.29 -10.16 C:37 18.18 -9.15 C:79 18.18 -10.55 C:33 13.36 -13.33 C:56 14.59 -12.62 C:53 15.79 -10.55 C:39 14.59 -11.24 C:54 16.99 -11.24 24 1 -1 25 2 -1 3 18 1 20 4 -1 23 5 -2 23 6 -1 26 7 -2 8 18 2 9 19 2 10 12 1 10 13 1 11 14 1 11 21 1 12 23 1 13 26 1 14 25 1 15 16 1 15 24 1 16 27 1 17 18 1 22 17 -2 19 20 1 19 27 1 20 21 1 21 22 -2 27 22 -2 23 24 1 24 26 1 25 26 1 25 27 1', 'C22H34O3', 346.249, 'M', 'tt06_3266_41', 4306, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15087, 'Curcumrinol A', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[C@H:6](O)[C@@H:7](O)[C:8]1=[C:9]([CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[C@H:14]1O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@H](O)[C@@H](O)C1=C(CC[C@](C)(C=C)[C@H]1O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:49]23[C@H:71](O)[C@@H:77](O)[C:125]1=[C:147]([CH2:20][CH2:29][C@:40]([CH3:23])([CH:143]=[CH2:115])[C@H:78]1O)[C@@:38]2([CH3:22])[CH2:39][CH2:19][CH2:43][C@@:34]3([CH3:24])[CH3:33]', '24 26 H 15.46 -13.68 C:16 21.53 -8.53 C:19 13.18 -14.41 C:18 15.17 -14.49 C:17 19.98 -8.01 C:20 15.46 -9.89 O 19.12 -13.46 O 20.33 -11.33 O 16.70 -14.83 C:15 20.52 -9.52 C:2 12.98 -11.33 C:11 16.70 -9.17 C:3 12.98 -12.75 C:1 14.21 -10.61 C:12 17.93 -8.47 C:9 16.70 -10.61 C:8 17.93 -11.33 C:7 17.93 -12.75 C:14 19.12 -10.61 C:6 16.70 -13.46 C:4 14.21 -13.46 C:13 19.12 -9.17 C:5 15.46 -12.75 C:10 15.46 -11.33 23 1 -2 2 10 2 21 3 -1 21 4 -2 22 5 -1 24 6 -1 18 7 -2 19 8 -1 20 9 -1 22 10 -2 11 13 1 11 14 1 12 15 1 12 16 1 13 21 1 14 24 1 15 22 1 16 17 2 16 24 1 17 18 1 17 19 1 18 20 1 19 22 1 20 23 1 21 23 1 23 24 1', '24 26 H 15.46 -13.68 C 21.53 -8.53 C 13.18 -14.41 C 15.17 -14.49 C 19.98 -8.01 C 15.46 -9.89 O 19.12 -13.46 O 20.33 -11.33 O 16.70 -14.83 C 20.52 -9.52 C 12.98 -11.33 C 16.70 -9.17 C 12.98 -12.75 C 14.21 -10.61 C 17.93 -8.47 C 16.70 -10.61 C 17.93 -11.33 C 17.93 -12.75 C 19.12 -10.61 C 16.70 -13.46 C 14.21 -13.46 C 19.12 -9.17 C 15.46 -12.75 C 15.46 -11.33 23 1 -2 2 10 2 21 3 -1 21 4 -2 22 5 -1 24 6 -1 18 7 -2 19 8 -1 20 9 -1 22 10 -2 11 13 1 11 14 1 12 15 1 12 16 1 13 21 1 14 24 1 15 22 1 16 17 2 16 24 1 17 18 1 17 19 1 18 20 1 19 22 1 20 23 1 21 23 1 23 24 1', '24 26 H 15.46 -13.68 C:115 21.53 -8.53 C:24 13.18 -14.41 C:33 15.17 -14.49 C:23 19.98 -8.01 C:22 15.46 -9.89 O 19.12 -13.46 O 20.33 -11.33 O 16.70 -14.83 C:143 20.52 -9.52 C:19 12.98 -11.33 C:20 16.70 -9.17 C:43 12.98 -12.75 C:39 14.21 -10.61 C:29 17.93 -8.47 C:147 16.70 -10.61 C:125 17.93 -11.33 C:77 17.93 -12.75 C:78 19.12 -10.61 C:71 16.70 -13.46 C:34 14.21 -13.46 C:40 19.12 -9.17 C:49 15.46 -12.75 C:38 15.46 -11.33 23 1 -2 2 10 2 21 3 -1 21 4 -2 22 5 -1 24 6 -1 18 7 -2 19 8 -1 20 9 -1 22 10 -2 11 13 1 11 14 1 12 15 1 12 16 1 13 21 1 14 24 1 15 22 1 16 17 2 16 24 1 17 18 1 17 19 1 18 20 1 19 22 1 20 23 1 21 23 1 23 24 1', 'C20H32O3', 320.22, 'C', 'hca08_944_1', 3815, '', '', '1', 1, NULL, NULL),
(15088, 'Curcumrinol B', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[C@H:6](O)[C@@H:7](O)[C:8]1=[C:9]([CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[C@@H:14]1O)[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)C1=C(CC[C@](C)(C=C)[C@@H]1O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:49]23[C@H:71](O)[C@@H:71](O)[C:126]1=[C:148]([CH2:22][CH2:29][C@:39]([CH3:24])([CH:143]=[CH2:113])[C@@H:71]1O)[C@@:38]2([CH3:21])[CH2:39][CH2:19][CH2:43][C@:33]3([CH3:34])[CH3:24]', '24 26 H 15.46 -13.68 C:16 21.53 -8.53 C:18 15.17 -14.49 C:19 13.18 -14.41 C:17 19.98 -8.01 C:20 15.46 -9.89 O 19.12 -13.46 O 20.33 -11.33 O 16.70 -14.83 C:15 20.52 -9.52 C:2 12.98 -11.33 C:11 16.70 -9.17 C:3 12.98 -12.75 C:1 14.21 -10.61 C:12 17.93 -8.47 C:9 16.70 -10.61 C:8 17.93 -11.33 C:7 17.93 -12.75 C:14 19.12 -10.61 C:6 16.70 -13.46 C:4 14.21 -13.46 C:13 19.12 -9.17 C:5 15.46 -12.75 C:10 15.46 -11.33 23 1 -2 2 10 2 21 3 -2 21 4 -1 22 5 -1 24 6 -1 18 7 -2 19 8 -2 20 9 -1 22 10 -2 11 13 1 11 14 1 12 15 1 12 16 1 13 21 1 14 24 1 15 22 1 16 17 2 16 24 1 17 18 1 17 19 1 18 20 1 19 22 1 20 23 1 21 23 1 23 24 1', '24 26 H 15.46 -13.68 C 21.53 -8.53 C 15.17 -14.49 C 13.18 -14.41 C 19.98 -8.01 C 15.46 -9.89 O 19.12 -13.46 O 20.33 -11.33 O 16.70 -14.83 C 20.52 -9.52 C 12.98 -11.33 C 16.70 -9.17 C 12.98 -12.75 C 14.21 -10.61 C 17.93 -8.47 C 16.70 -10.61 C 17.93 -11.33 C 17.93 -12.75 C 19.12 -10.61 C 16.70 -13.46 C 14.21 -13.46 C 19.12 -9.17 C 15.46 -12.75 C 15.46 -11.33 23 1 -2 2 10 2 21 3 -2 21 4 -1 22 5 -1 24 6 -1 18 7 -2 19 8 -2 20 9 -1 22 10 -2 11 13 1 11 14 1 12 15 1 12 16 1 13 21 1 14 24 1 15 22 1 16 17 2 16 24 1 17 18 1 17 19 1 18 20 1 19 22 1 20 23 1 21 23 1 23 24 1', '24 26 H 15.46 -13.68 C:113 21.53 -8.53 C:34 15.17 -14.49 C:24 13.18 -14.41 C:24 19.98 -8.01 C:21 15.46 -9.89 O 19.12 -13.46 O 20.33 -11.33 O 16.70 -14.83 C:143 20.52 -9.52 C:19 12.98 -11.33 C:22 16.70 -9.17 C:43 12.98 -12.75 C:39 14.21 -10.61 C:29 17.93 -8.47 C:148 16.70 -10.61 C:126 17.93 -11.33 C:71 17.93 -12.75 C:71 19.12 -10.61 C:71 16.70 -13.46 C:33 14.21 -13.46 C:39 19.12 -9.17 C:49 15.46 -12.75 C:38 15.46 -11.33 23 1 -2 2 10 2 21 3 -2 21 4 -1 22 5 -1 24 6 -1 18 7 -2 19 8 -2 20 9 -1 22 10 -2 11 13 1 11 14 1 12 15 1 12 16 1 13 21 1 14 24 1 15 22 1 16 17 2 16 24 1 17 18 1 17 19 1 18 20 1 19 22 1 20 23 1 21 23 1 23 24 1', 'C20H32O3', 320.22, 'C', 'hca08_944_2', 3815, '', '', '1', 1, NULL, NULL),
(15089, 'Curcumrinol C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][C:7](=O)[C@@:8]([CH3:17])(O)[C@H:9]([CH2:11][CH:12](O[C:12001]([CH3:12002])=O)[C:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CC(=O)[C@@](C)(O)[C@H](CC(OC(C)=O)C(C)(O)C=C)[C@@]1(C)CCC[C@@]2(C)C', '[H][C@@:56]12[CH2:36][C:209](=O)[C@@:82]([CH3:22])(O)[C@H:50]([CH2:21][CH:70](O[C:170]([CH3:21])=O)[C:76]([CH3:27])(O)[CH:146]=[CH2:111])[C@@:36]1([CH3:15])[CH2:39][CH2:18][CH2:42][C@@:34]2([CH3:21])[CH3:33]', '28 29 H 15.45 -15.40 C:15 19.12 -6.62 C:12002 21.55 -10.88 C:19 13.27 -16.20 C:18 15.17 -16.21 C:16 16.68 -8.03 C:17 18.62 -11.81 C:20 15.45 -11.59 O 20.34 -8.78 O 19.13 -15.15 O 17.91 -7.34 O 19.31 -13.04 C:14 19.12 -8.03 C:2 12.99 -13.03 C:3 12.99 -14.45 C:1 14.22 -12.31 C:6 16.68 -15.16 C:11 16.68 -10.86 O 19.12 -10.87 C:12001 20.34 -10.18 C:7 17.91 -14.45 C:12 17.91 -10.16 C:9 16.68 -12.31 C:4 14.22 -15.16 C:13 17.91 -8.74 C:5 15.45 -14.45 C:8 17.91 -13.03 C:10 15.45 -13.03 26 1 -2 2 13 2 3 20 1 24 4 -1 24 5 -2 6 25 1 27 7 -1 28 8 -1 9 20 2 10 21 2 11 25 1 27 12 -2 13 25 1 14 15 1 14 16 1 15 24 1 16 28 1 17 21 1 17 26 1 18 22 1 23 18 -1 19 20 1 19 22 1 21 27 1 22 25 1 23 27 1 23 28 1 24 26 1 26 28 1', '28 29 H 15.45 -15.40 C 19.12 -6.62 C 21.55 -10.88 C 13.27 -16.20 C 15.17 -16.21 C 16.68 -8.03 C 18.62 -11.81 C 15.45 -11.59 O 20.34 -8.78 O 19.13 -15.15 O 17.91 -7.34 O 19.31 -13.04 C 19.12 -8.03 C 12.99 -13.03 C 12.99 -14.45 C 14.22 -12.31 C 16.68 -15.16 C 16.68 -10.86 O 19.12 -10.87 C 20.34 -10.18 C 17.91 -14.45 C 17.91 -10.16 C 16.68 -12.31 C 14.22 -15.16 C 17.91 -8.74 C 15.45 -14.45 C 17.91 -13.03 C 15.45 -13.03 26 1 -2 2 13 2 3 20 1 24 4 -1 24 5 -2 6 25 1 27 7 -1 28 8 -1 9 20 2 10 21 2 11 25 1 27 12 -2 13 25 1 14 15 1 14 16 1 15 24 1 16 28 1 17 21 1 17 26 1 18 22 1 23 18 -1 19 20 1 19 22 1 21 27 1 22 25 1 23 27 1 23 28 1 24 26 1 26 28 1', '28 29 H 15.45 -15.40 C:111 19.12 -6.62 C:21 21.55 -10.88 C:21 13.27 -16.20 C:33 15.17 -16.21 C:27 16.68 -8.03 C:22 18.62 -11.81 C:15 15.45 -11.59 O 20.34 -8.78 O 19.13 -15.15 O 17.91 -7.34 O 19.31 -13.04 C:146 19.12 -8.03 C:18 12.99 -13.03 C:42 12.99 -14.45 C:39 14.22 -12.31 C:36 16.68 -15.16 C:21 16.68 -10.86 O 19.12 -10.87 C:170 20.34 -10.18 C:209 17.91 -14.45 C:70 17.91 -10.16 C:50 16.68 -12.31 C:34 14.22 -15.16 C:76 17.91 -8.74 C:56 15.45 -14.45 C:82 17.91 -13.03 C:36 15.45 -13.03 26 1 -2 2 13 2 3 20 1 24 4 -1 24 5 -2 6 25 1 27 7 -1 28 8 -1 9 20 2 10 21 2 11 25 1 27 12 -2 13 25 1 14 15 1 14 16 1 15 24 1 16 28 1 17 21 1 17 26 1 18 22 1 23 18 -1 19 20 1 19 22 1 21 27 1 22 25 1 23 27 1 23 28 1 24 26 1 26 28 1', 'C22H36O5', 380.24, 'C', 'hca08_944_3', 3815, '', '', '1', 1, NULL, NULL),
(15090, 'Tagalsin L', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:108]56[CH2:107][CH2:106][C@:105]4([CH3:119])[C:104](=[CH2:118])[C:103](=O)[C@@H:102]([CH:16](O)[C:15](=O)[C@@:13]3([CH3:17])[CH:14]=[C:8]2[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][CH2:12]3)[CH2:101][C@:110]4([H])[C@@:109]5([CH3:120])[CH2:111][CH2:112][C@:113]([CH3:117])([CH:115]=[CH2:116])[CH2:114]6', '[H][C@@]56CC[C@]4(C)C(=C)C(=O)[C@@H](C(O)C(=O)[C@@]3(C)C=C2CC[C@@]1([H])[C@](C)(C)CCC[C@]1(C)[C@@]2([H])CC3)C[C@]4([H])[C@@]5(C)CC[C@](C)(C=C)C6', '[H][C@@:43]56[CH2:26][CH2:37][C@:41]4([CH3:33])[C:152](=[CH2:117])[C:202](=O)[C@@H:49]([CH:78](O)[C:215](=O)[C@@:47]3([CH3:28])[CH:125]=[C:142]2[CH2:36][CH2:22][C@@:55]1([H])[C@:33]([CH3:22])([CH3:34])[CH2:42][CH2:19][CH2:39][C@:38]1([CH3:15])[C@@:51]2([H])[CH2:20][CH2:37]3)[CH2:23][C@:53]4([H])[C@@:38]5([CH3:15])[CH2:36][CH2:32][C@:36]([CH3:23])([CH:151]=[CH2:109])[CH2:39]6', '47 52 H 23.06 -8.74 H 12.28 -13.80 H 11.00 -15.96 H 20.68 -9.36 C:116 26.05 -8.68 C:118 20.68 -14.13 C:19 8.67 -16.70 C:18 10.71 -16.79 C:117 23.95 -6.06 C:17 15.66 -10.14 C:119 21.67 -13.13 C:120 22.31 -10.79 C:20 11.00 -12.06 O 17.97 -13.39 O 16.60 -13.04 O 16.94 -9.30 C:115 25.35 -7.46 C:14 14.80 -12.80 C:2 8.47 -13.55 C:7 13.55 -15.00 C:3 8.47 -15.00 C:107 23.67 -11.16 C:1 9.72 -12.80 C:11 12.28 -11.33 C:112 22.59 -7.09 C:12 13.55 -10.61 C:6 12.28 -15.73 C:106 22.68 -12.15 C:111 21.60 -8.08 C:101 19.61 -10.06 C:114 24.31 -8.81 C:104 20.32 -12.80 C:103 18.96 -12.39 C:15 16.22 -11.69 C:8 13.55 -13.55 C:16 17.25 -10.67 C:102 18.60 -11.04 C:4 9.72 -15.73 C:108 23.31 -9.81 C:9 12.28 -12.80 C:113 23.95 -7.46 C:13 14.80 -11.33 C:5 11.00 -15.00 C:110 20.96 -10.42 C:105 21.32 -11.78 C:109 21.95 -9.43 C:10 11.00 -13.55 39 1 -1 40 2 -2 43 3 -2 44 4 -1 5 17 2 6 32 2 38 7 -1 38 8 -2 41 9 -1 42 10 -2 45 11 -1 46 12 -2 47 13 -1 14 33 2 15 34 2 16 36 1 41 17 -2 18 35 2 18 42 1 19 21 1 19 23 1 20 27 1 20 35 1 21 38 1 22 28 1 22 39 1 23 47 1 24 26 1 24 40 1 25 29 1 25 41 1 26 42 1 27 43 1 28 45 1 29 46 1 30 37 1 30 44 1 31 39 1 31 41 1 32 33 1 32 45 1 33 37 1 34 36 1 42 34 -1 35 40 1 37 36 -1 38 43 1 39 46 1 40 47 1 43 47 1 44 45 1 44 46 1', '47 52 H 23.06 -8.74 H 12.28 -13.80 H 11.00 -15.96 H 20.68 -9.36 C 26.05 -8.68 C 20.68 -14.13 C 8.67 -16.70 C 10.71 -16.79 C 23.95 -6.06 C 15.66 -10.14 C 21.67 -13.13 C 22.31 -10.79 C 11.00 -12.06 O 17.97 -13.39 O 16.60 -13.04 O 16.94 -9.30 C 25.35 -7.46 C 14.80 -12.80 C 8.47 -13.55 C 13.55 -15.00 C 8.47 -15.00 C 23.67 -11.16 C 9.72 -12.80 C 12.28 -11.33 C 22.59 -7.09 C 13.55 -10.61 C 12.28 -15.73 C 22.68 -12.15 C 21.60 -8.08 C 19.61 -10.06 C 24.31 -8.81 C 20.32 -12.80 C 18.96 -12.39 C 16.22 -11.69 C 13.55 -13.55 C 17.25 -10.67 C 18.60 -11.04 C 9.72 -15.73 C 23.31 -9.81 C 12.28 -12.80 C 23.95 -7.46 C 14.80 -11.33 C 11.00 -15.00 C 20.96 -10.42 C 21.32 -11.78 C 21.95 -9.43 C 11.00 -13.55 39 1 -1 40 2 -2 43 3 -2 44 4 -1 5 17 2 6 32 2 38 7 -1 38 8 -2 41 9 -1 42 10 -2 45 11 -1 46 12 -2 47 13 -1 14 33 2 15 34 2 16 36 1 41 17 -2 18 35 2 18 42 1 19 21 1 19 23 1 20 27 1 20 35 1 21 38 1 22 28 1 22 39 1 23 47 1 24 26 1 24 40 1 25 29 1 25 41 1 26 42 1 27 43 1 28 45 1 29 46 1 30 37 1 30 44 1 31 39 1 31 41 1 32 33 1 32 45 1 33 37 1 34 36 1 42 34 -1 35 40 1 37 36 -1 38 43 1 39 46 1 40 47 1 43 47 1 44 45 1 44 46 1', '47 52 H 23.06 -8.74 H 12.28 -13.80 H 11.00 -15.96 H 20.68 -9.36 C:109 26.05 -8.68 C:117 20.68 -14.13 C:22 8.67 -16.70 C:34 10.71 -16.79 C:23 23.95 -6.06 C:28 15.66 -10.14 C:33 21.67 -13.13 C:15 22.31 -10.79 C:15 11.00 -12.06 O 17.97 -13.39 O 16.60 -13.04 O 16.94 -9.30 C:151 25.35 -7.46 C:125 14.80 -12.80 C:19 8.47 -13.55 C:36 13.55 -15.00 C:42 8.47 -15.00 C:26 23.67 -11.16 C:39 9.72 -12.80 C:20 12.28 -11.33 C:32 22.59 -7.09 C:37 13.55 -10.61 C:22 12.28 -15.73 C:37 22.68 -12.15 C:36 21.60 -8.08 C:23 19.61 -10.06 C:39 24.31 -8.81 C:152 20.32 -12.80 C:202 18.96 -12.39 C:215 16.22 -11.69 C:142 13.55 -13.55 C:78 17.25 -10.67 C:49 18.60 -11.04 C:33 9.72 -15.73 C:43 23.31 -9.81 C:51 12.28 -12.80 C:36 23.95 -7.46 C:47 14.80 -11.33 C:55 11.00 -15.00 C:53 20.96 -10.42 C:41 21.32 -11.78 C:38 21.95 -9.43 C:38 11.00 -13.55 39 1 -1 40 2 -2 43 3 -2 44 4 -1 5 17 2 6 32 2 38 7 -1 38 8 -2 41 9 -1 42 10 -2 45 11 -1 46 12 -2 47 13 -1 14 33 2 15 34 2 16 36 1 41 17 -2 18 35 2 18 42 1 19 21 1 19 23 1 20 27 1 20 35 1 21 38 1 22 28 1 22 39 1 23 47 1 24 26 1 24 40 1 25 29 1 25 41 1 26 42 1 27 43 1 28 45 1 29 46 1 30 37 1 30 44 1 31 39 1 31 41 1 32 33 1 32 45 1 33 37 1 34 36 1 42 34 -1 35 40 1 37 36 -1 38 43 1 39 46 1 40 47 1 43 47 1 44 45 1 44 46 1', 'C40H60O3', 588.458, 'C', 'hca08_2292_1', 3816, '', '', '1', 1, NULL, NULL),
(15091, 'Tagalsin M', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:108]56[CH2:107][CH2:106][C@:105]4([CH3:119])[C:104](=[CH2:118])[C:103](=O)[C:102]([CH2:16][C:15](=O)[C@@:13]3([CH3:17])[CH:14]=[C:8]2[CH2:7][CH2:6][C@@:5]1([H])[C@@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][CH2:12]3)=[CH:101][C@:110]4([H])[C@@:109]5([CH3:120])[CH2:111][CH2:112][C@:113]([CH3:117])([CH:115]=[CH2:116])[CH2:114]6', '[H][C@@]56CC[C@]4(C)C(=C)C(=O)C(CC(=O)[C@@]3(C)C=C2CC[C@@]1([H])[C@@](C)(C)CCC[C@]1(C)[C@@]2([H])CC3)=C[C@]4([H])[C@@]5(C)CC[C@](C)(C=C)C6', '[H][C@@:41]56[CH2:26][CH2:37][C@:41]4([CH3:34])[C:150](=[CH2:117])[C:188](=O)[C:135]([CH2:41][C:212](=O)[C@@:49]3([CH3:27])[CH:126]=[C:141]2[CH2:36][CH2:23][C@@:55]1([H])[C@@:33]([CH3:34])([CH3:22])[CH2:42][CH2:19][CH2:39][C@:39]1([CH3:14])[C@@:51]2([H])[CH2:20][CH2:33]3)=[CH:148][C@:58]4([H])[C@@:40]5([CH3:12])[CH2:36][CH2:32][C@:36]([CH3:23])([CH:151]=[CH2:109])[CH2:40]6', '46 51 H 23.06 -8.74 H 20.68 -9.36 H 12.28 -13.80 H 11.00 -15.96 C:116 26.05 -8.68 C:118 20.68 -14.13 C:18 10.71 -16.79 C:19 8.67 -16.70 C:117 23.95 -6.06 C:17 15.66 -10.14 C:119 21.67 -13.13 C:120 22.31 -10.79 C:20 11.00 -12.06 O 16.60 -13.04 O 17.97 -13.39 C:115 25.35 -7.46 C:101 19.61 -10.06 C:14 14.80 -12.80 C:2 8.47 -13.55 C:7 13.55 -15.00 C:3 8.47 -15.00 C:6 12.28 -15.73 C:1 9.72 -12.80 C:107 23.67 -11.16 C:11 12.28 -11.33 C:112 22.59 -7.09 C:12 13.55 -10.61 C:106 22.68 -12.15 C:111 21.60 -8.08 C:16 17.25 -10.67 C:114 24.31 -8.81 C:104 20.32 -12.80 C:15 16.22 -11.69 C:103 18.96 -12.39 C:102 18.60 -11.04 C:8 13.55 -13.55 C:4 9.72 -15.73 C:108 23.31 -9.81 C:110 20.96 -10.42 C:9 12.28 -12.80 C:113 23.95 -7.46 C:5 11.00 -15.00 C:13 14.80 -11.33 C:105 21.32 -11.78 C:109 21.95 -9.43 C:10 11.00 -13.55 38 1 -1 39 2 -1 40 3 -2 42 4 -2 5 16 2 6 32 2 37 7 -2 37 8 -1 41 9 -1 43 10 -2 44 11 -1 45 12 -2 46 13 -1 14 33 2 15 34 2 41 16 -2 17 35 2 17 39 1 18 36 2 18 43 1 19 21 1 19 23 1 20 22 1 20 36 1 21 37 1 22 42 1 23 46 1 24 28 1 24 38 1 25 27 1 25 40 1 26 29 1 26 41 1 27 43 1 28 44 1 29 45 1 30 33 1 30 35 1 31 38 1 31 41 1 32 34 1 32 44 1 43 33 -1 34 35 1 36 40 1 37 42 1 38 45 1 39 44 1 39 45 1 40 46 1 42 46 1', '46 51 H 23.06 -8.74 H 20.68 -9.36 H 12.28 -13.80 H 11.00 -15.96 C 26.05 -8.68 C 20.68 -14.13 C 10.71 -16.79 C 8.67 -16.70 C 23.95 -6.06 C 15.66 -10.14 C 21.67 -13.13 C 22.31 -10.79 C 11.00 -12.06 O 16.60 -13.04 O 17.97 -13.39 C 25.35 -7.46 C 19.61 -10.06 C 14.80 -12.80 C 8.47 -13.55 C 13.55 -15.00 C 8.47 -15.00 C 12.28 -15.73 C 9.72 -12.80 C 23.67 -11.16 C 12.28 -11.33 C 22.59 -7.09 C 13.55 -10.61 C 22.68 -12.15 C 21.60 -8.08 C 17.25 -10.67 C 24.31 -8.81 C 20.32 -12.80 C 16.22 -11.69 C 18.96 -12.39 C 18.60 -11.04 C 13.55 -13.55 C 9.72 -15.73 C 23.31 -9.81 C 20.96 -10.42 C 12.28 -12.80 C 23.95 -7.46 C 11.00 -15.00 C 14.80 -11.33 C 21.32 -11.78 C 21.95 -9.43 C 11.00 -13.55 38 1 -1 39 2 -1 40 3 -2 42 4 -2 5 16 2 6 32 2 37 7 -2 37 8 -1 41 9 -1 43 10 -2 44 11 -1 45 12 -2 46 13 -1 14 33 2 15 34 2 41 16 -2 17 35 2 17 39 1 18 36 2 18 43 1 19 21 1 19 23 1 20 22 1 20 36 1 21 37 1 22 42 1 23 46 1 24 28 1 24 38 1 25 27 1 25 40 1 26 29 1 26 41 1 27 43 1 28 44 1 29 45 1 30 33 1 30 35 1 31 38 1 31 41 1 32 34 1 32 44 1 43 33 -1 34 35 1 36 40 1 37 42 1 38 45 1 39 44 1 39 45 1 40 46 1 42 46 1', '46 51 H 23.06 -8.74 H 20.68 -9.36 H 12.28 -13.80 H 11.00 -15.96 C:109 26.05 -8.68 C:117 20.68 -14.13 C:34 10.71 -16.79 C:22 8.67 -16.70 C:23 23.95 -6.06 C:27 15.66 -10.14 C:34 21.67 -13.13 C:12 22.31 -10.79 C:14 11.00 -12.06 O 16.60 -13.04 O 17.97 -13.39 C:151 25.35 -7.46 C:148 19.61 -10.06 C:126 14.80 -12.80 C:19 8.47 -13.55 C:36 13.55 -15.00 C:42 8.47 -15.00 C:23 12.28 -15.73 C:39 9.72 -12.80 C:26 23.67 -11.16 C:20 12.28 -11.33 C:32 22.59 -7.09 C:33 13.55 -10.61 C:37 22.68 -12.15 C:36 21.60 -8.08 C:41 17.25 -10.67 C:40 24.31 -8.81 C:150 20.32 -12.80 C:212 16.22 -11.69 C:188 18.96 -12.39 C:135 18.60 -11.04 C:141 13.55 -13.55 C:33 9.72 -15.73 C:41 23.31 -9.81 C:58 20.96 -10.42 C:51 12.28 -12.80 C:36 23.95 -7.46 C:55 11.00 -15.00 C:49 14.80 -11.33 C:41 21.32 -11.78 C:40 21.95 -9.43 C:39 11.00 -13.55 38 1 -1 39 2 -1 40 3 -2 42 4 -2 5 16 2 6 32 2 37 7 -2 37 8 -1 41 9 -1 43 10 -2 44 11 -1 45 12 -2 46 13 -1 14 33 2 15 34 2 41 16 -2 17 35 2 17 39 1 18 36 2 18 43 1 19 21 1 19 23 1 20 22 1 20 36 1 21 37 1 22 42 1 23 46 1 24 28 1 24 38 1 25 27 1 25 40 1 26 29 1 26 41 1 27 43 1 28 44 1 29 45 1 30 33 1 30 35 1 31 38 1 31 41 1 32 34 1 32 44 1 43 33 -1 34 35 1 36 40 1 37 42 1 38 45 1 39 44 1 39 45 1 40 46 1 42 46 1', 'C40H58O2', 570.459, 'C', 'hca08_2292_2', 3816, '', '', '1', 1, NULL, NULL),
(15092, 'Tagalsin N', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:108]67[CH2:107][CH2:106][C@:105]5([CH3:119])[C:104]([CH3:118])=[C:103]4O[C:16](=O)[CH2:15][C@@:13]3([CH3:17])[CH:14]=[C:8]2[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@:10]1([CH3:20])[C@@:9]2([H])[CH2:11][C:12]3=[C:102]4[CH2:101][C@:110]5([H])[C@@:109]6([CH3:120])[CH2:111][CH2:112][C@:113]([CH3:117])([CH:115]=[CH2:116])[CH2:114]7', '[H][C@@]67CC[C@]5(C)C(C)=C4OC(=O)C[C@@]3(C)C=C2CC[C@@]1([H])[C@](C)(C)CCC[C@]1(C)[C@@]2([H])CC3=C4C[C@]5([H])[C@@]6(C)CC[C@](C)(C=C)C7', '[H][C@@:42]67[CH2:20][CH2:37][C@:39]5([CH3:31])[C:126]([CH3:11])=[C:146]4O[C:170](=O)[CH2:33][C@@:37]3([CH3:28])[CH:129]=[C:139]2[CH2:36][CH2:22][C@@:55]1([H])[C@:33]([CH3:22])([CH3:34])[CH2:42][CH2:19][CH2:39][C@:38]1([CH3:14])[C@@:52]2([H])[CH2:27][C:127]3=[C:148]4[CH2:23][C@:54]5([H])[C@@:38]6([CH3:13])[CH2:35][CH2:32][C@:36]([CH3:23])([CH:151]=[CH2:109])[CH2:39]7', '46 52 H 14.72 -5.88 H 17.44 -14.76 H 16.15 -16.94 H 16.15 -9.13 C:116 12.50 -5.11 C:118 20.02 -6.73 C:19 13.79 -17.69 C:18 15.84 -17.78 C:117 11.39 -8.31 C:17 21.20 -13.01 C:119 18.65 -6.42 C:120 15.77 -9.51 C:20 16.15 -13.01 O 23.07 -10.16 C:115 11.83 -6.36 C:14 19.97 -13.75 C:2 13.59 -14.51 C:7 18.72 -15.97 C:3 13.59 -15.97 C:1 14.85 -13.75 C:107 15.89 -5.79 C:6 17.44 -16.71 C:112 13.01 -8.91 C:106 17.28 -6.11 C:111 14.39 -9.22 C:15 21.27 -11.74 C:11 17.44 -12.26 C:101 17.15 -9.84 C:114 13.59 -6.51 O 20.88 -9.22 C:16 21.68 -10.39 C:104 19.07 -7.78 C:8 18.72 -14.51 C:102 18.53 -10.16 C:12 18.72 -11.54 C:103 19.47 -9.13 C:4 14.85 -16.71 C:108 14.93 -6.82 C:113 12.60 -7.56 C:9 17.44 -13.75 C:13 19.97 -12.26 C:5 16.15 -15.97 C:110 16.73 -8.49 C:105 17.69 -7.47 C:109 15.35 -8.18 C:10 16.15 -14.51 38 1 -1 40 2 -2 42 3 -2 43 4 -1 5 15 2 6 32 1 37 7 -1 37 8 -2 39 9 -1 41 10 -2 44 11 -1 45 12 -2 46 13 -1 14 31 2 39 15 -2 16 33 2 16 41 1 17 19 1 17 20 1 18 22 1 18 33 1 19 37 1 20 46 1 21 24 1 21 38 1 22 42 1 23 25 1 23 39 1 24 44 1 25 45 1 26 31 1 26 41 1 27 35 1 27 40 1 28 34 1 28 43 1 29 38 1 29 39 1 30 31 1 30 36 1 32 36 2 32 44 1 33 40 1 34 35 2 34 36 1 35 41 1 37 42 1 38 45 1 40 46 1 42 46 1 43 44 1 43 45 1', '46 52 H 14.72 -5.88 H 17.44 -14.76 H 16.15 -16.94 H 16.15 -9.13 C 12.50 -5.11 C 20.02 -6.73 C 13.79 -17.69 C 15.84 -17.78 C 11.39 -8.31 C 21.20 -13.01 C 18.65 -6.42 C 15.77 -9.51 C 16.15 -13.01 O 23.07 -10.16 C 11.83 -6.36 C 19.97 -13.75 C 13.59 -14.51 C 18.72 -15.97 C 13.59 -15.97 C 14.85 -13.75 C 15.89 -5.79 C 17.44 -16.71 C 13.01 -8.91 C 17.28 -6.11 C 14.39 -9.22 C 21.27 -11.74 C 17.44 -12.26 C 17.15 -9.84 C 13.59 -6.51 O 20.88 -9.22 C 21.68 -10.39 C 19.07 -7.78 C 18.72 -14.51 C 18.53 -10.16 C 18.72 -11.54 C 19.47 -9.13 C 14.85 -16.71 C 14.93 -6.82 C 12.60 -7.56 C 17.44 -13.75 C 19.97 -12.26 C 16.15 -15.97 C 16.73 -8.49 C 17.69 -7.47 C 15.35 -8.18 C 16.15 -14.51 38 1 -1 40 2 -2 42 3 -2 43 4 -1 5 15 2 6 32 1 37 7 -1 37 8 -2 39 9 -1 41 10 -2 44 11 -1 45 12 -2 46 13 -1 14 31 2 39 15 -2 16 33 2 16 41 1 17 19 1 17 20 1 18 22 1 18 33 1 19 37 1 20 46 1 21 24 1 21 38 1 22 42 1 23 25 1 23 39 1 24 44 1 25 45 1 26 31 1 26 41 1 27 35 1 27 40 1 28 34 1 28 43 1 29 38 1 29 39 1 30 31 1 30 36 1 32 36 2 32 44 1 33 40 1 34 35 2 34 36 1 35 41 1 37 42 1 38 45 1 40 46 1 42 46 1 43 44 1 43 45 1', '46 52 H 14.72 -5.88 H 17.44 -14.76 H 16.15 -16.94 H 16.15 -9.13 C:109 12.50 -5.11 C:11 20.02 -6.73 C:22 13.79 -17.69 C:34 15.84 -17.78 C:23 11.39 -8.31 C:28 21.20 -13.01 C:31 18.65 -6.42 C:13 15.77 -9.51 C:14 16.15 -13.01 O 23.07 -10.16 C:151 11.83 -6.36 C:129 19.97 -13.75 C:19 13.59 -14.51 C:36 18.72 -15.97 C:42 13.59 -15.97 C:39 14.85 -13.75 C:20 15.89 -5.79 C:22 17.44 -16.71 C:32 13.01 -8.91 C:37 17.28 -6.11 C:35 14.39 -9.22 C:33 21.27 -11.74 C:27 17.44 -12.26 C:23 17.15 -9.84 C:39 13.59 -6.51 O 20.88 -9.22 C:170 21.68 -10.39 C:126 19.07 -7.78 C:139 18.72 -14.51 C:148 18.53 -10.16 C:127 18.72 -11.54 C:146 19.47 -9.13 C:33 14.85 -16.71 C:42 14.93 -6.82 C:36 12.60 -7.56 C:52 17.44 -13.75 C:37 19.97 -12.26 C:55 16.15 -15.97 C:54 16.73 -8.49 C:39 17.69 -7.47 C:38 15.35 -8.18 C:38 16.15 -14.51 38 1 -1 40 2 -2 42 3 -2 43 4 -1 5 15 2 6 32 1 37 7 -1 37 8 -2 39 9 -1 41 10 -2 44 11 -1 45 12 -2 46 13 -1 14 31 2 39 15 -2 16 33 2 16 41 1 17 19 1 17 20 1 18 22 1 18 33 1 19 37 1 20 46 1 21 24 1 21 38 1 22 42 1 23 25 1 23 39 1 24 44 1 25 45 1 26 31 1 26 41 1 27 35 1 27 40 1 28 34 1 28 43 1 29 38 1 29 39 1 30 31 1 30 36 1 32 36 2 32 44 1 33 40 1 34 35 2 34 36 1 35 41 1 37 42 1 38 45 1 40 46 1 42 46 1 43 44 1 43 45 1', 'C40H58O2', 570.459, 'C', 'hca08_2292_3', 3816, '', '', '1', 1, NULL, NULL),
(15093, 'Scopararane A', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[CH2:16]=[CH:15][C@:13]4([CH3:17])[CH:14]=[C:8]3[C:7](=O)[C@:6]1(O)O[CH2:20][C@@:10]2([CH2:1][CH2:2][CH2:3][C@@:4]([CH3:19])([CH3:18])[C@:5]12O)[C@@:9]3(O)[CH2:11][CH2:12]4', 'C=C[C@]4(C)C=C3C(=O)[C@]1(O)OC[C@@]2(CCC[C@@](C)(C)[C@]12O)[C@@]3(O)CC4', '[CH2:113]=[CH:145][C@:39]4([CH3:25])[CH:151]=[C:135]3[C:196](=O)[C@:104]1(O)O[CH2:69][C@@:49]2([CH2:22][CH2:18][CH2:37][C@@:37]([CH3:24])([CH3:27])[C@:82]12O)[C@@:75]3(O)[CH2:27][CH2:30]4', '25 28 C:16 21.36 -8.60 C:19 13.27 -14.30 C:18 15.22 -14.39 C:17 19.87 -8.10 O 19.06 -13.38 O 17.82 -9.85 O 16.68 -14.75 O 15.49 -13.61 C:15 20.40 -9.56 C:14 19.06 -10.61 C:2 13.09 -11.31 C:3 13.09 -12.69 C:12 17.87 -8.54 C:11 16.68 -9.23 C:1 14.27 -10.61 C:20 15.49 -9.92 O 16.68 -11.79 C:7 17.87 -12.69 C:8 17.87 -11.31 C:4 14.27 -13.38 C:13 19.06 -9.23 C:9 16.68 -10.61 C:6 16.68 -13.38 C:5 15.49 -12.69 C:10 15.49 -11.31 1 9 2 20 2 -1 20 3 -2 21 4 -1 5 18 2 22 6 -2 23 7 -2 24 8 -2 21 9 -2 10 19 2 10 21 1 11 12 1 11 15 1 12 20 1 13 14 1 13 21 1 14 22 1 15 25 1 16 17 1 25 16 -1 17 23 1 18 19 1 18 23 1 19 22 1 20 24 1 22 25 1 23 24 1 24 25 1', '25 28 C 21.36 -8.60 C 13.27 -14.30 C 15.22 -14.39 C 19.87 -8.10 O 19.06 -13.38 O 17.82 -9.85 O 16.68 -14.75 O 15.49 -13.61 C 20.40 -9.56 C 19.06 -10.61 C 13.09 -11.31 C 13.09 -12.69 C 17.87 -8.54 C 16.68 -9.23 C 14.27 -10.61 C 15.49 -9.92 O 16.68 -11.79 C 17.87 -12.69 C 17.87 -11.31 C 14.27 -13.38 C 19.06 -9.23 C 16.68 -10.61 C 16.68 -13.38 C 15.49 -12.69 C 15.49 -11.31 1 9 2 20 2 -1 20 3 -2 21 4 -1 5 18 2 22 6 -2 23 7 -2 24 8 -2 21 9 -2 10 19 2 10 21 1 11 12 1 11 15 1 12 20 1 13 14 1 13 21 1 14 22 1 15 25 1 16 17 1 25 16 -1 17 23 1 18 19 1 18 23 1 19 22 1 20 24 1 22 25 1 23 24 1 24 25 1', '25 28 C:113 21.36 -8.60 C:24 13.27 -14.30 C:27 15.22 -14.39 C:25 19.87 -8.10 O 19.06 -13.38 O 17.82 -9.85 O 16.68 -14.75 O 15.49 -13.61 C:145 20.40 -9.56 C:151 19.06 -10.61 C:18 13.09 -11.31 C:37 13.09 -12.69 C:30 17.87 -8.54 C:27 16.68 -9.23 C:22 14.27 -10.61 C:69 15.49 -9.92 O 16.68 -11.79 C:196 17.87 -12.69 C:135 17.87 -11.31 C:37 14.27 -13.38 C:39 19.06 -9.23 C:75 16.68 -10.61 C:104 16.68 -13.38 C:82 15.49 -12.69 C:49 15.49 -11.31 1 9 2 20 2 -1 20 3 -2 21 4 -1 5 18 2 22 6 -2 23 7 -2 24 8 -2 21 9 -2 10 19 2 10 21 1 11 12 1 11 15 1 12 20 1 13 14 1 13 21 1 14 22 1 15 25 1 16 17 1 25 16 -1 17 23 1 18 19 1 18 23 1 19 22 1 20 24 1 22 25 1 23 24 1 24 25 1', 'C20H28O5', 348.211, 'M', 'np06_856_1', 3817, '', '', '1', 1, NULL, NULL),
(15094, 'Scopararane B', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[CH2:16]=[CH:15][C@@:13]4([CH3:17])[CH2:12][C@H:11](O)[C:9]1=[C:8]([C:7](=O)[C@:6]2(O)O[CH2:20][C@@:10]13[CH2:1][CH2:2][CH2:3][C@:4]([CH3:18])([CH3:19])[C@:5]23O)[C@H:14]4O', 'C=C[C@@]4(C)C[C@H](O)C1=C(C(=O)[C@]2(O)OC[C@@]13CCC[C@](C)(C)[C@]23O)[C@H]4O', '[CH2:115]=[CH:144][C@@:40]4([CH3:24])[CH2:40][C@H:70](O)[C:165]1=[C:132]([C:195](=O)[C@:105]2(O)O[CH2:70][C@@:54]13[CH2:24][CH2:18][CH2:38][C@:37]([CH3:28])([CH3:24])[C@:81]23O)[C@H:65]4O', '26 29 C:16 21.37 -8.62 C:18 15.23 -14.41 C:19 13.28 -14.32 C:17 19.88 -8.12 O 19.07 -13.40 O 15.50 -8.55 O 20.29 -11.33 O 16.69 -14.77 O 15.50 -13.63 C:15 20.41 -9.58 C:2 13.10 -11.33 C:3 13.10 -12.71 C:1 14.28 -10.63 C:20 15.50 -9.94 C:12 17.88 -8.55 O 16.69 -11.81 C:7 17.88 -12.71 C:8 17.88 -11.33 C:9 16.69 -10.63 C:11 16.69 -9.25 C:14 19.07 -10.63 C:4 14.28 -13.40 C:13 19.07 -9.25 C:6 16.69 -13.40 C:10 15.50 -11.33 C:5 15.50 -12.71 1 10 2 22 2 -2 22 3 -1 23 4 -1 5 17 2 20 6 -1 21 7 -2 24 8 -2 26 9 -2 23 10 -2 11 12 1 11 13 1 12 22 1 13 25 1 14 16 1 25 14 -1 15 20 1 15 23 1 16 24 1 17 18 1 17 24 1 18 19 2 18 21 1 19 20 1 19 25 1 21 23 1 22 26 1 24 26 1 25 26 1', '26 29 C 21.37 -8.62 C 15.23 -14.41 C 13.28 -14.32 C 19.88 -8.12 O 19.07 -13.40 O 15.50 -8.55 O 20.29 -11.33 O 16.69 -14.77 O 15.50 -13.63 C 20.41 -9.58 C 13.10 -11.33 C 13.10 -12.71 C 14.28 -10.63 C 15.50 -9.94 C 17.88 -8.55 O 16.69 -11.81 C 17.88 -12.71 C 17.88 -11.33 C 16.69 -10.63 C 16.69 -9.25 C 19.07 -10.63 C 14.28 -13.40 C 19.07 -9.25 C 16.69 -13.40 C 15.50 -11.33 C 15.50 -12.71 1 10 2 22 2 -2 22 3 -1 23 4 -1 5 17 2 20 6 -1 21 7 -2 24 8 -2 26 9 -2 23 10 -2 11 12 1 11 13 1 12 22 1 13 25 1 14 16 1 25 14 -1 15 20 1 15 23 1 16 24 1 17 18 1 17 24 1 18 19 2 18 21 1 19 20 1 19 25 1 21 23 1 22 26 1 24 26 1 25 26 1', '26 29 C:115 21.37 -8.62 C:28 15.23 -14.41 C:24 13.28 -14.32 C:24 19.88 -8.12 O 19.07 -13.40 O 15.50 -8.55 O 20.29 -11.33 O 16.69 -14.77 O 15.50 -13.63 C:144 20.41 -9.58 C:18 13.10 -11.33 C:38 13.10 -12.71 C:24 14.28 -10.63 C:70 15.50 -9.94 C:40 17.88 -8.55 O 16.69 -11.81 C:195 17.88 -12.71 C:132 17.88 -11.33 C:165 16.69 -10.63 C:70 16.69 -9.25 C:65 19.07 -10.63 C:37 14.28 -13.40 C:40 19.07 -9.25 C:105 16.69 -13.40 C:54 15.50 -11.33 C:81 15.50 -12.71 1 10 2 22 2 -2 22 3 -1 23 4 -1 5 17 2 20 6 -1 21 7 -2 24 8 -2 26 9 -2 23 10 -2 11 12 1 11 13 1 12 22 1 13 25 1 14 16 1 25 14 -1 15 20 1 15 23 1 16 24 1 17 18 1 17 24 1 18 19 2 18 21 1 19 20 1 19 25 1 21 23 1 22 26 1 24 26 1 25 26 1', 'C20H28O6', 364.21, 'M', 'np06_856_2', 3817, '', '', '1', 1, NULL, NULL),
(15095, 'Scoparasin A', '', 'Alkaloids', 'Isoindols', '', '[H][C@@:4]23[C:5]([CH3:11])=[C:6]([CH3:12])[C@@H:7](O)[C@@H:8]1[CH:13]=[CH:14][CH2:15][C@@H:16]([CH3:24])[C:17](=O)[C@:18]([CH3:25])(O)[CH:19]=[CH:20]O[C:22](=O)O[C@:9]12[C:1](=O)N[C@H:3]3[CH2:10][c:26]4[cH:27][cH:28][c:29](O[CH3:29001])[cH:30][cH:31]4', '[H][C@@]23C(C)=C(C)[C@@H](O)[C@@H]1C=CC[C@@H](C)C(=O)[C@](C)(O)C=COC(=O)O[C@]12C(=O)N[C@H]3Cc4ccc(OC)cc4', '[H][C@@:48]23[C:125]([CH3:18])=[C:132]([CH3:14])[C@@H:70](O)[C@@H:50]1[CH:129]=[CH:134][CH2:39][C@@H:41]([CH3:20])[C:212](=O)[C@:77]([CH3:25])(O)[CH:121]=[CH:143]O[C:149](=O)O[C@:86]12[C:170](=O)N[C@H:59]3[CH2:43][c:129]4[cH:130][cH:114][c:159](O[CH3:55])[cH:114][cH:130]4', '39 42 H 14.99 -15.39 C:29001 23.10 -16.19 C:12 11.38 -15.06 C:11 13.77 -16.45 C:24 14.99 -8.79 C:25 15.68 -4.82 O 14.48 -9.37 O 16.74 -11.21 O 12.59 -6.03 O 11.38 -12.29 O 14.28 -4.82 C:14 12.59 -10.20 C:20 16.17 -8.12 C:13 13.77 -10.89 C:19 16.17 -6.73 C:27 19.02 -15.39 C:31 18.54 -17.70 C:28 20.38 -15.66 C:30 19.88 -17.99 C:15 12.59 -8.79 C:10 16.74 -16.11 N 17.12 -13.66 O 22.17 -17.24 O 17.29 -9.37 O 15.55 -11.77 C:22 15.55 -10.20 C:6 12.59 -14.36 C:5 13.77 -15.06 C:1 16.30 -12.52 C:17 13.77 -6.73 C:26 18.10 -16.37 C:29 20.80 -16.96 C:16 13.77 -8.12 C:7 12.59 -12.98 C:3 16.30 -14.78 C:8 13.77 -12.29 C:18 14.99 -6.03 C:4 14.99 -14.36 C:9 14.99 -12.98 38 1 -1 2 23 1 3 27 1 4 28 1 33 5 -2 37 6 -1 7 26 2 8 29 2 9 30 2 34 10 -1 37 11 -2 12 14 2 12 20 1 13 15 2 13 24 1 36 14 -2 15 37 1 16 18 2 16 31 1 17 19 1 17 31 2 18 32 1 19 32 2 20 33 1 21 31 1 35 21 -1 22 29 1 22 35 1 23 32 1 24 26 1 25 26 1 39 25 -1 27 28 2 27 34 1 28 38 1 29 39 1 30 33 1 30 37 1 34 36 1 35 38 1 36 39 1 38 39 1', '39 42 H 14.99 -15.39 C 23.10 -16.19 C 11.38 -15.06 C 13.77 -16.45 C 14.99 -8.79 C 15.68 -4.82 O 14.48 -9.37 O 16.74 -11.21 O 12.59 -6.03 O 11.38 -12.29 O 14.28 -4.82 C 12.59 -10.20 C 16.17 -8.12 C 13.77 -10.89 C 16.17 -6.73 C 19.02 -15.39 C 18.54 -17.70 C 20.38 -15.66 C 19.88 -17.99 C 12.59 -8.79 C 16.74 -16.11 N 17.12 -13.66 O 22.17 -17.24 O 17.29 -9.37 O 15.55 -11.77 C 15.55 -10.20 C 12.59 -14.36 C 13.77 -15.06 C 16.30 -12.52 C 13.77 -6.73 C 18.10 -16.37 C 20.80 -16.96 C 13.77 -8.12 C 12.59 -12.98 C 16.30 -14.78 C 13.77 -12.29 C 14.99 -6.03 C 14.99 -14.36 C 14.99 -12.98 38 1 -1 2 23 1 3 27 1 4 28 1 33 5 -2 37 6 -1 7 26 2 8 29 2 9 30 2 34 10 -1 37 11 -2 12 14 2 12 20 1 13 15 2 13 24 1 36 14 -2 15 37 1 16 18 2 16 31 1 17 19 1 17 31 2 18 32 1 19 32 2 20 33 1 21 31 1 35 21 -1 22 29 1 22 35 1 23 32 1 24 26 1 25 26 1 39 25 -1 27 28 2 27 34 1 28 38 1 29 39 1 30 33 1 30 37 1 34 36 1 35 38 1 36 39 1 38 39 1', '39 42 H 14.99 -15.39 C:55 23.10 -16.19 C:14 11.38 -15.06 C:18 13.77 -16.45 C:20 14.99 -8.79 C:25 15.68 -4.82 O 14.48 -9.37 O 16.74 -11.21 O 12.59 -6.03 O 11.38 -12.29 O 14.28 -4.82 C:134 12.59 -10.20 C:143 16.17 -8.12 C:129 13.77 -10.89 C:121 16.17 -6.73 C:130 19.02 -15.39 C:130 18.54 -17.70 C:114 20.38 -15.66 C:114 19.88 -17.99 C:39 12.59 -8.79 C:43 16.74 -16.11 N 17.12 -13.66 O 22.17 -17.24 O 17.29 -9.37 O 15.55 -11.77 C:149 15.55 -10.20 C:132 12.59 -14.36 C:125 13.77 -15.06 C:170 16.30 -12.52 C:212 13.77 -6.73 C:129 18.10 -16.37 C:159 20.80 -16.96 C:41 13.77 -8.12 C:70 12.59 -12.98 C:59 16.30 -14.78 C:50 13.77 -12.29 C:77 14.99 -6.03 C:48 14.99 -14.36 C:86 14.99 -12.98 38 1 -1 2 23 1 3 27 1 4 28 1 33 5 -2 37 6 -1 7 26 2 8 29 2 9 30 2 34 10 -1 37 11 -2 12 14 2 12 20 1 13 15 2 13 24 1 36 14 -2 15 37 1 16 18 2 16 31 1 17 19 1 17 31 2 18 32 1 19 32 2 20 33 1 21 31 1 35 21 -1 22 29 1 22 35 1 23 32 1 24 26 1 25 26 1 39 25 -1 27 28 2 27 34 1 28 38 1 29 39 1 30 33 1 30 37 1 34 36 1 35 38 1 36 39 1 38 39 1', 'C29H35NO8', 525.32, 'M', 'np06_856_3', 3817, '', '', '1', 1, NULL, NULL),
(15096, 'Scoparasin B', '', 'Alkaloids', 'Isoindols', '', '[H][C@@:4]23[C@H:5]([CH3:11])[C@@:6]([CH3:12])(O)[C@@H:7](O)[C@@H:8]1[CH:13]=[CH:14][CH2:15][C@@H:16]([CH3:24])[C:17](=O)[C@:18]([CH3:25])(O)[CH:19]=[CH:20]O[C:22](=O)O[C@:9]12[C:1](=O)N[C@H:3]3[CH2:10][c:26]4[cH:31][cH:30][c:29](O[CH3:29001])[cH:28][cH:27]4', '[H][C@@]23[C@H](C)[C@@](C)(O)[C@@H](O)[C@@H]1C=CC[C@@H](C)C(=O)[C@](C)(O)C=COC(=O)O[C@]12C(=O)N[C@H]3Cc4ccc(OC)cc4', '[H][C@@:48]23[C@H:36]([CH3:13])[C@@:57]([CH3:20])(O)[C@@H:61](O)[C@@H:46]1[CH:129]=[CH:132][CH2:39][C@@H:41]([CH3:20])[C:212](=O)[C@:77]([CH3:24])(O)[CH:120]=[CH:142]O[C:149](=O)O[C@:87]12[C:170](=O)N[C@H:54]3[CH2:44][c:128]4[cH:131][cH:114][c:159](O[CH3:55])[cH:114][cH:131]4', '40 43 H 15.10 -15.39 C:29001 23.21 -16.19 C:24 15.10 -8.79 C:11 13.88 -16.45 C:25 15.79 -4.82 C:12 12.00 -15.57 O 14.59 -9.37 O 16.85 -11.21 O 12.70 -6.03 O 11.49 -12.29 O 14.39 -4.82 O 11.30 -14.36 C:14 12.70 -10.20 C:20 16.28 -8.12 C:13 13.88 -10.89 C:19 16.28 -6.73 C:31 18.65 -17.70 C:27 19.13 -15.39 C:30 19.99 -17.99 C:28 20.49 -15.66 C:15 12.70 -8.79 C:10 16.85 -16.11 N 17.23 -13.66 O 22.28 -17.24 O 17.40 -9.37 O 15.66 -11.77 C:22 15.66 -10.20 C:1 16.41 -12.52 C:17 13.88 -6.73 C:26 18.21 -16.37 C:29 20.91 -16.96 C:16 13.88 -8.12 C:5 13.88 -15.06 C:7 12.70 -12.98 C:3 16.41 -14.78 C:8 13.88 -12.29 C:18 15.10 -6.03 C:6 12.70 -14.36 C:4 15.10 -14.36 C:9 15.10 -12.98 39 1 -1 2 24 1 32 3 -2 33 4 -2 37 5 -1 38 6 -2 7 27 2 8 28 2 9 29 2 34 10 -1 37 11 -2 38 12 -1 13 15 2 13 21 1 14 16 2 14 25 1 36 15 -2 16 37 1 17 19 1 17 30 2 18 20 2 18 30 1 19 31 2 20 31 1 21 32 1 22 30 1 35 22 -1 23 28 1 23 35 1 24 31 1 25 27 1 26 27 1 40 26 -1 28 40 1 29 32 1 29 37 1 33 38 1 33 39 1 34 36 1 34 38 1 35 39 1 36 40 1 39 40 1', '40 43 H 15.10 -15.39 C 23.21 -16.19 C 15.10 -8.79 C 13.88 -16.45 C 15.79 -4.82 C 12.00 -15.57 O 14.59 -9.37 O 16.85 -11.21 O 12.70 -6.03 O 11.49 -12.29 O 14.39 -4.82 O 11.30 -14.36 C 12.70 -10.20 C 16.28 -8.12 C 13.88 -10.89 C 16.28 -6.73 C 18.65 -17.70 C 19.13 -15.39 C 19.99 -17.99 C 20.49 -15.66 C 12.70 -8.79 C 16.85 -16.11 N 17.23 -13.66 O 22.28 -17.24 O 17.40 -9.37 O 15.66 -11.77 C 15.66 -10.20 C 16.41 -12.52 C 13.88 -6.73 C 18.21 -16.37 C 20.91 -16.96 C 13.88 -8.12 C 13.88 -15.06 C 12.70 -12.98 C 16.41 -14.78 C 13.88 -12.29 C 15.10 -6.03 C 12.70 -14.36 C 15.10 -14.36 C 15.10 -12.98 39 1 -1 2 24 1 32 3 -2 33 4 -2 37 5 -1 38 6 -2 7 27 2 8 28 2 9 29 2 34 10 -1 37 11 -2 38 12 -1 13 15 2 13 21 1 14 16 2 14 25 1 36 15 -2 16 37 1 17 19 1 17 30 2 18 20 2 18 30 1 19 31 2 20 31 1 21 32 1 22 30 1 35 22 -1 23 28 1 23 35 1 24 31 1 25 27 1 26 27 1 40 26 -1 28 40 1 29 32 1 29 37 1 33 38 1 33 39 1 34 36 1 34 38 1 35 39 1 36 40 1 39 40 1', '40 43 H 15.10 -15.39 C:55 23.21 -16.19 C:20 15.10 -8.79 C:13 13.88 -16.45 C:24 15.79 -4.82 C:20 12.00 -15.57 O 14.59 -9.37 O 16.85 -11.21 O 12.70 -6.03 O 11.49 -12.29 O 14.39 -4.82 O 11.30 -14.36 C:132 12.70 -10.20 C:142 16.28 -8.12 C:129 13.88 -10.89 C:120 16.28 -6.73 C:131 18.65 -17.70 C:131 19.13 -15.39 C:114 19.99 -17.99 C:114 20.49 -15.66 C:39 12.70 -8.79 C:44 16.85 -16.11 N 17.23 -13.66 O 22.28 -17.24 O 17.40 -9.37 O 15.66 -11.77 C:149 15.66 -10.20 C:170 16.41 -12.52 C:212 13.88 -6.73 C:128 18.21 -16.37 C:159 20.91 -16.96 C:41 13.88 -8.12 C:36 13.88 -15.06 C:61 12.70 -12.98 C:54 16.41 -14.78 C:46 13.88 -12.29 C:77 15.10 -6.03 C:57 12.70 -14.36 C:48 15.10 -14.36 C:87 15.10 -12.98 39 1 -1 2 24 1 32 3 -2 33 4 -2 37 5 -1 38 6 -2 7 27 2 8 28 2 9 29 2 34 10 -1 37 11 -2 38 12 -1 13 15 2 13 21 1 14 16 2 14 25 1 36 15 -2 16 37 1 17 19 1 17 30 2 18 20 2 18 30 1 19 31 2 20 31 1 21 32 1 22 30 1 35 22 -1 23 28 1 23 35 1 24 31 1 25 27 1 26 27 1 40 26 -1 28 40 1 29 32 1 29 37 1 33 38 1 33 39 1 34 36 1 34 38 1 35 39 1 36 40 1 39 40 1', 'C29H37NO9', 543.32, 'M', 'np06_856_4', 3817, '', '', '1', 1, NULL, NULL),
(15097, '', '8β-Angeloxy-14,15-dihydroxy-3(4),11(13)-germacradien-6,12-olide', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:6]12[CH2:5][C:4]([CH2:15]O)=[CH:3][CH2:2][CH2:1][C@@H:10]([CH2:14]O)[CH2:9][C@@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8301])[C@@:7]1([H])[C:11](=[CH2:13])[C:12](=O)O2', '[H][C@@]12CC(CO)=CCC[C@@H](CO)C[C@@H](OC(=O)C(C)=CC)[C@@]1([H])C(=C)C(=O)O2', '[H][C@@:76]12[CH2:31][C:133]([CH2:68]O)=[CH:131][CH2:27][CH2:30][C@@H:42]([CH2:68]O)[CH2:40][C@@H:79](O[C:167](=O)[C:128]([CH3:20])=[CH:140][CH3:16])[C@@:48]1([H])[C:137](=[CH2:124])[C:170](=O)O2', '28 29 H 16.21 -11.21 H 17.12 -11.21 C:13 19.15 -14.01 C:8301 23.24 -9.19 C:8201 22.05 -12.73 O 20.80 -9.19 O 16.63 -15.88 O 11.24 -12.21 O 17.80 -6.93 C:8003 23.24 -10.61 C:3 13.03 -9.73 C:2 14.14 -8.85 C:15 12.65 -12.21 C:14 16.63 -7.64 C:1 15.35 -9.66 C:5 15.02 -11.08 C:9 17.90 -9.66 O 19.58 -11.33 O 15.46 -13.57 C:8002 22.05 -11.33 C:11 17.80 -13.57 C:8001 20.80 -10.61 C:12 16.63 -14.43 C:4 13.50 -11.08 C:10 16.63 -9.04 C:8 18.21 -11.08 C:6 15.92 -12.21 C:7 17.33 -12.21 27 1 -1 28 2 -2 3 21 2 4 10 1 5 20 1 6 22 2 7 23 2 8 13 1 9 14 1 10 20 2 11 12 1 11 24 2 12 15 1 13 24 1 25 14 -1 15 25 1 16 24 1 16 27 1 17 25 1 17 26 1 18 22 1 26 18 -1 19 23 1 19 27 1 20 22 1 21 23 1 21 28 1 26 28 1 27 28 1', '28 29 H 16.21 -11.21 H 17.12 -11.21 C 19.15 -14.01 C 23.24 -9.19 C 22.05 -12.73 O 20.80 -9.19 O 16.63 -15.88 O 11.24 -12.21 O 17.80 -6.93 C 23.24 -10.61 C 13.03 -9.73 C 14.14 -8.85 C 12.65 -12.21 C 16.63 -7.64 C 15.35 -9.66 C 15.02 -11.08 C 17.90 -9.66 O 19.58 -11.33 O 15.46 -13.57 C 22.05 -11.33 C 17.80 -13.57 C 20.80 -10.61 C 16.63 -14.43 C 13.50 -11.08 C 16.63 -9.04 C 18.21 -11.08 C 15.92 -12.21 C 17.33 -12.21 27 1 -1 28 2 -2 3 21 2 4 10 1 5 20 1 6 22 2 7 23 2 8 13 1 9 14 1 10 20 2 11 12 1 11 24 2 12 15 1 13 24 1 25 14 -1 15 25 1 16 24 1 16 27 1 17 25 1 17 26 1 18 22 1 26 18 -1 19 23 1 19 27 1 20 22 1 21 23 1 21 28 1 26 28 1 27 28 1', '28 29 H 16.21 -11.21 H 17.12 -11.21 C:124 19.15 -14.01 C:16 23.24 -9.19 C:20 22.05 -12.73 O 20.80 -9.19 O 16.63 -15.88 O 11.24 -12.21 O 17.80 -6.93 C:140 23.24 -10.61 C:131 13.03 -9.73 C:27 14.14 -8.85 C:68 12.65 -12.21 C:68 16.63 -7.64 C:30 15.35 -9.66 C:31 15.02 -11.08 C:40 17.90 -9.66 O 19.58 -11.33 O 15.46 -13.57 C:128 22.05 -11.33 C:137 17.80 -13.57 C:167 20.80 -10.61 C:170 16.63 -14.43 C:133 13.50 -11.08 C:42 16.63 -9.04 C:79 18.21 -11.08 C:76 15.92 -12.21 C:48 17.33 -12.21 27 1 -1 28 2 -2 3 21 2 4 10 1 5 20 1 6 22 2 7 23 2 8 13 1 9 14 1 10 20 2 11 12 1 11 24 2 12 15 1 13 24 1 25 14 -1 15 25 1 16 24 1 16 27 1 17 25 1 17 26 1 18 22 1 26 18 -1 19 23 1 19 27 1 20 22 1 21 23 1 21 28 1 26 28 1 27 28 1', 'C20H28O6', 364.226, 'C', 'np07_567_1', 3818, '', '', '1', 1, NULL, NULL),
(15098, '', '8β-Methylacryloxy-14-hydroxy-15-al-3(4),11(13)-germacradien-6,12-olide', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:6]12[CH2:5][C:4]([CH:15]=O)=[CH:3][CH2:2][CH2:1][C@@H:10]([CH2:14]O)[CH2:9][C@@H:8](O[C:8001](=O)[C:8002](=[CH2:8003])[CH3:8201])[C@@:7]1([H])[C:11](=[CH2:13])[C:12](=O)O2', '[H][C@@]12CC(C=O)=CCC[C@@H](CO)C[C@@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2', '[H][C@@:75]12[CH2:27][C:139]([CH:194]=O)=[CH:157][CH2:28][CH2:30][C@@H:42]([CH2:68]O)[CH2:40][C@@H:79](O[C:166](=O)[C:136](=[CH2:126])[CH3:18])[C@@:49]1([H])[C:136](=[CH2:124])[C:169](=O)O2', '27 28 H 16.23 -11.21 H 17.14 -11.21 C:8003 23.27 -10.61 C:13 19.17 -14.02 C:8201 22.08 -12.73 O 11.27 -12.04 O 20.82 -9.19 O 16.65 -15.89 O 17.82 -6.93 C:15 12.66 -12.21 C:3 13.04 -9.73 C:2 14.16 -8.85 C:14 16.65 -7.64 C:1 15.37 -9.66 C:5 15.04 -11.08 C:9 17.92 -9.66 O 19.60 -11.33 O 15.48 -13.58 C:8002 22.08 -11.33 C:11 17.82 -13.58 C:4 13.52 -11.08 C:8001 20.82 -10.61 C:12 16.65 -14.44 C:10 16.65 -9.04 C:8 18.23 -11.08 C:6 15.94 -12.21 C:7 17.35 -12.21 26 1 -1 27 2 -2 3 19 2 4 20 2 5 19 1 6 10 2 7 22 2 8 23 2 9 13 1 10 21 1 11 12 1 11 21 2 12 14 1 24 13 -1 14 24 1 15 21 1 15 26 1 16 24 1 16 25 1 17 22 1 25 17 -1 18 23 1 18 26 1 19 22 1 20 23 1 20 27 1 25 27 1 26 27 1', '27 28 H 16.23 -11.21 H 17.14 -11.21 C 23.27 -10.61 C 19.17 -14.02 C 22.08 -12.73 O 11.27 -12.04 O 20.82 -9.19 O 16.65 -15.89 O 17.82 -6.93 C 12.66 -12.21 C 13.04 -9.73 C 14.16 -8.85 C 16.65 -7.64 C 15.37 -9.66 C 15.04 -11.08 C 17.92 -9.66 O 19.60 -11.33 O 15.48 -13.58 C 22.08 -11.33 C 17.82 -13.58 C 13.52 -11.08 C 20.82 -10.61 C 16.65 -14.44 C 16.65 -9.04 C 18.23 -11.08 C 15.94 -12.21 C 17.35 -12.21 26 1 -1 27 2 -2 3 19 2 4 20 2 5 19 1 6 10 2 7 22 2 8 23 2 9 13 1 10 21 1 11 12 1 11 21 2 12 14 1 24 13 -1 14 24 1 15 21 1 15 26 1 16 24 1 16 25 1 17 22 1 25 17 -1 18 23 1 18 26 1 19 22 1 20 23 1 20 27 1 25 27 1 26 27 1', '27 28 H 16.23 -11.21 H 17.14 -11.21 C:126 23.27 -10.61 C:124 19.17 -14.02 C:18 22.08 -12.73 O 11.27 -12.04 O 20.82 -9.19 O 16.65 -15.89 O 17.82 -6.93 C:194 12.66 -12.21 C:157 13.04 -9.73 C:28 14.16 -8.85 C:68 16.65 -7.64 C:30 15.37 -9.66 C:27 15.04 -11.08 C:40 17.92 -9.66 O 19.60 -11.33 O 15.48 -13.58 C:136 22.08 -11.33 C:136 17.82 -13.58 C:139 13.52 -11.08 C:166 20.82 -10.61 C:169 16.65 -14.44 C:42 16.65 -9.04 C:79 18.23 -11.08 C:75 15.94 -12.21 C:49 17.35 -12.21 26 1 -1 27 2 -2 3 19 2 4 20 2 5 19 1 6 10 2 7 22 2 8 23 2 9 13 1 10 21 1 11 12 1 11 21 2 12 14 1 24 13 -1 14 24 1 15 21 1 15 26 1 16 24 1 16 25 1 17 22 1 25 17 -1 18 23 1 18 26 1 19 22 1 20 23 1 20 27 1 25 27 1 26 27 1', 'C19H24O6', 348.216, 'C', 'np07_567_2', 3818, '', '', '1', 1, NULL, NULL),
(15099, '', '8β-Methylacryloxy-14,15-dihydroxy-3(4),11(13)-germacradien-6,12-olide', 'Terpenoids', 'Sesquiterpenoids', 'Germacranes', '[H][C@@:6]12[CH2:5][C:4]([CH2:15]O)=[CH:3][CH2:2][CH2:1][C@@H:10]([CH2:14]O)[CH2:9][C@@H:8](O[C:8001](=O)[C:8002](=[CH2:8003])[CH3:8201])[C@@:7]1([H])[C:11](=[CH2:13])[C:12](=O)O2', '[H][C@@]12CC(CO)=CCC[C@@H](CO)C[C@@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2', '[H][C@@:77]12[CH2:31][C:133]([CH2:67]O)=[CH:131][CH2:26][CH2:30][C@@H:42]([CH2:68]O)[CH2:40][C@@H:79](O[C:167](=O)[C:136](=[CH2:127])[CH3:18])[C@@:48]1([H])[C:137](=[CH2:124])[C:170](=O)O2', '27 28 H 16.23 -11.21 H 17.14 -11.21 C:8003 23.27 -10.61 C:13 19.17 -14.02 C:8201 22.08 -12.73 O 20.82 -9.19 O 16.65 -15.89 O 11.27 -12.04 O 17.82 -6.93 C:3 13.04 -9.73 C:2 14.16 -8.85 C:15 12.66 -12.21 C:14 16.65 -7.64 C:1 15.37 -9.66 C:5 15.04 -11.08 C:9 17.92 -9.66 O 19.60 -11.33 O 15.48 -13.58 C:8002 22.08 -11.33 C:11 17.82 -13.58 C:8001 20.82 -10.61 C:12 16.65 -14.44 C:4 13.52 -11.08 C:10 16.65 -9.04 C:8 18.23 -11.08 C:6 15.94 -12.21 C:7 17.35 -12.21 26 1 -1 27 2 -2 3 19 2 4 20 2 5 19 1 6 21 2 7 22 2 8 12 1 9 13 1 10 11 1 10 23 2 11 14 1 12 23 1 24 13 -1 14 24 1 15 23 1 15 26 1 16 24 1 16 25 1 17 21 1 25 17 -1 18 22 1 18 26 1 19 21 1 20 22 1 20 27 1 25 27 1 26 27 1', '27 28 H 16.23 -11.21 H 17.14 -11.21 C 23.27 -10.61 C 19.17 -14.02 C 22.08 -12.73 O 20.82 -9.19 O 16.65 -15.89 O 11.27 -12.04 O 17.82 -6.93 C 13.04 -9.73 C 14.16 -8.85 C 12.66 -12.21 C 16.65 -7.64 C 15.37 -9.66 C 15.04 -11.08 C 17.92 -9.66 O 19.60 -11.33 O 15.48 -13.58 C 22.08 -11.33 C 17.82 -13.58 C 20.82 -10.61 C 16.65 -14.44 C 13.52 -11.08 C 16.65 -9.04 C 18.23 -11.08 C 15.94 -12.21 C 17.35 -12.21 26 1 -1 27 2 -2 3 19 2 4 20 2 5 19 1 6 21 2 7 22 2 8 12 1 9 13 1 10 11 1 10 23 2 11 14 1 12 23 1 24 13 -1 14 24 1 15 23 1 15 26 1 16 24 1 16 25 1 17 21 1 25 17 -1 18 22 1 18 26 1 19 21 1 20 22 1 20 27 1 25 27 1 26 27 1', '27 28 H 16.23 -11.21 H 17.14 -11.21 C:127 23.27 -10.61 C:124 19.17 -14.02 C:18 22.08 -12.73 O 20.82 -9.19 O 16.65 -15.89 O 11.27 -12.04 O 17.82 -6.93 C:131 13.04 -9.73 C:26 14.16 -8.85 C:67 12.66 -12.21 C:68 16.65 -7.64 C:30 15.37 -9.66 C:31 15.04 -11.08 C:40 17.92 -9.66 O 19.60 -11.33 O 15.48 -13.58 C:136 22.08 -11.33 C:137 17.82 -13.58 C:167 20.82 -10.61 C:170 16.65 -14.44 C:133 13.52 -11.08 C:42 16.65 -9.04 C:79 18.23 -11.08 C:77 15.94 -12.21 C:48 17.35 -12.21 26 1 -1 27 2 -2 3 19 2 4 20 2 5 19 1 6 21 2 7 22 2 8 12 1 9 13 1 10 11 1 10 23 2 11 14 1 12 23 1 24 13 -1 14 24 1 15 23 1 15 26 1 16 24 1 16 25 1 17 21 1 25 17 -1 18 22 1 18 26 1 19 21 1 20 22 1 20 27 1 25 27 1 26 27 1', 'C19H26O6', 350.216, 'C', 'np07_567_3', 3818, '', '', '1', 1, NULL, NULL),
(15100, '16-O-Acetyldarutoside', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([C@@H:15](O)[CH2:16]O[C:16001]([CH3:16002])=O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]4([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@](C)([C@@H](O)COC(C)=O)C=C1CC[C@]4([H])[C@](C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]34C', '[H][C@@:52]13[CH2:20][CH2:34][C@:39]([CH3:23])([C@@H:75](O)[CH2:68]O[C:174]([CH3:21])=O)[CH:130]=[C:141]1[CH2:38][CH2:24][C@:57]4([H])[C@:40]([CH3:30])([CH3:16])[C@H:86](O[C@@H:102]2O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:76]2O)[CH2:25][CH2:39][C@@:39]34[CH3:18]', '39 42 H 17.84 -12.32 H 16.59 -14.47 C:16002 26.44 -8.98 C:18 16.31 -15.29 C:19 14.27 -15.20 C:17 21.19 -8.70 C:20 16.59 -10.60 O 24.75 -7.26 O 9.25 -9.33 O 22.11 -11.58 O 8.04 -14.18 O 8.04 -11.42 O 10.45 -15.58 C:14 20.35 -11.34 C:106 10.45 -10.02 C:7 19.10 -13.49 C:2 14.07 -12.11 C:6 17.84 -14.18 C:12 19.10 -9.17 C:11 17.84 -9.88 C:1 15.32 -11.34 C:16 22.77 -9.23 O 24.11 -9.59 O 11.67 -12.11 O 12.87 -14.18 C:16001 25.10 -8.61 C:8 19.10 -12.11 C:15 21.74 -10.24 C:103 9.25 -13.49 C:104 9.25 -12.11 C:102 10.45 -14.18 C:105 10.45 -11.42 C:3 14.07 -13.49 C:101 11.67 -13.49 C:4 15.32 -14.24 C:13 20.35 -9.88 C:9 17.84 -11.34 C:5 16.59 -13.49 C:10 16.59 -12.11 37 1 -1 38 2 -1 3 26 1 35 4 -1 35 5 -2 36 6 -1 39 7 -2 8 26 2 9 15 1 28 10 -2 29 11 -1 30 12 -2 31 13 -2 14 27 2 14 36 1 32 15 -1 16 18 1 16 27 1 17 21 1 17 33 1 18 38 1 19 20 1 19 36 1 20 37 1 21 39 1 22 23 1 22 28 1 23 26 1 24 32 1 24 34 1 33 25 -2 34 25 -1 27 37 1 28 36 1 29 30 1 29 31 1 30 32 1 31 34 1 33 35 1 35 38 1 37 39 1 38 39 1', '39 42 H 17.84 -12.32 H 16.59 -14.47 C 26.44 -8.98 C 16.31 -15.29 C 14.27 -15.20 C 21.19 -8.70 C 16.59 -10.60 O 24.75 -7.26 O 9.25 -9.33 O 22.11 -11.58 O 8.04 -14.18 O 8.04 -11.42 O 10.45 -15.58 C 20.35 -11.34 C 10.45 -10.02 C 19.10 -13.49 C 14.07 -12.11 C 17.84 -14.18 C 19.10 -9.17 C 17.84 -9.88 C 15.32 -11.34 C 22.77 -9.23 O 24.11 -9.59 O 11.67 -12.11 O 12.87 -14.18 C 25.10 -8.61 C 19.10 -12.11 C 21.74 -10.24 C 9.25 -13.49 C 9.25 -12.11 C 10.45 -14.18 C 10.45 -11.42 C 14.07 -13.49 C 11.67 -13.49 C 15.32 -14.24 C 20.35 -9.88 C 17.84 -11.34 C 16.59 -13.49 C 16.59 -12.11 37 1 -1 38 2 -1 3 26 1 35 4 -1 35 5 -2 36 6 -1 39 7 -2 8 26 2 9 15 1 28 10 -2 29 11 -1 30 12 -2 31 13 -2 14 27 2 14 36 1 32 15 -1 16 18 1 16 27 1 17 21 1 17 33 1 18 38 1 19 20 1 19 36 1 20 37 1 21 39 1 22 23 1 22 28 1 23 26 1 24 32 1 24 34 1 33 25 -2 34 25 -1 27 37 1 28 36 1 29 30 1 29 31 1 30 32 1 31 34 1 33 35 1 35 38 1 37 39 1 38 39 1', '39 42 H 17.84 -12.32 H 16.59 -14.47 C:21 26.44 -8.98 C:30 16.31 -15.29 C:16 14.27 -15.20 C:23 21.19 -8.70 C:18 16.59 -10.60 O 24.75 -7.26 O 9.25 -9.33 O 22.11 -11.58 O 8.04 -14.18 O 8.04 -11.42 O 10.45 -15.58 C:130 20.35 -11.34 C:63 10.45 -10.02 C:38 19.10 -13.49 C:25 14.07 -12.11 C:24 17.84 -14.18 C:34 19.10 -9.17 C:20 17.84 -9.88 C:39 15.32 -11.34 C:68 22.77 -9.23 O 24.11 -9.59 O 11.67 -12.11 O 12.87 -14.18 C:174 25.10 -8.61 C:141 19.10 -12.11 C:75 21.74 -10.24 C:78 9.25 -13.49 C:72 9.25 -12.11 C:76 10.45 -14.18 C:79 10.45 -11.42 C:86 14.07 -13.49 C:102 11.67 -13.49 C:40 15.32 -14.24 C:39 20.35 -9.88 C:52 17.84 -11.34 C:57 16.59 -13.49 C:39 16.59 -12.11 37 1 -1 38 2 -1 3 26 1 35 4 -1 35 5 -2 36 6 -1 39 7 -2 8 26 2 9 15 1 28 10 -2 29 11 -1 30 12 -2 31 13 -2 14 27 2 14 36 1 32 15 -1 16 18 1 16 27 1 17 21 1 17 33 1 18 38 1 19 20 1 19 36 1 20 37 1 21 39 1 22 23 1 22 28 1 23 26 1 24 32 1 24 34 1 33 25 -2 34 25 -1 27 37 1 28 36 1 29 30 1 29 31 1 30 32 1 31 34 1 33 35 1 35 38 1 37 39 1 38 39 1', 'C28H46O9', 526.31, 'M', 'np07_567_4', 3818, '', '', '1', 1, NULL, NULL),
(15101, '3,-15,16-Tri-O-acetyldarutigenol', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([C@H:15]([CH2:16]O)O[C:15001]([CH3:15002])=O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@](C)([C@H](CO)OC(C)=O)C=C1CC[C@]4([H])[C@@](C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]34C', '[H][C@@:52]13[CH2:20][CH2:34][C@:39]([CH3:24])([C@H:80]([CH2:63]O)O[C:174]([CH3:22])=O)[CH:129]=[C:142]1[CH2:38][CH2:24][C@:57]4([H])[C@@:40]([CH3:16])([CH3:30])[C@H:87](O[C@@H:102]2O[C@H:79]([CH2:64]O)[C@@H:72](O)[C@H:78](O)[C@H:76]2O)[CH2:25][CH2:39][C@@:40]34[CH3:18]', '39 42 H 18.85 -11.61 H 17.60 -13.75 C:15002 24.87 -12.56 C:19 15.28 -14.48 C:18 17.32 -14.57 C:17 22.21 -7.98 C:20 17.60 -9.88 O 25.47 -10.20 O 10.26 -8.61 O 25.13 -8.87 O 9.05 -13.46 O 9.05 -10.70 O 11.46 -14.86 C:14 21.36 -10.62 C:106 11.46 -9.30 C:16 23.79 -8.51 C:7 20.11 -12.78 C:2 15.08 -11.39 C:6 18.85 -13.46 C:12 20.11 -8.45 C:11 18.85 -9.16 C:1 16.33 -10.62 O 23.13 -10.86 O 12.69 -11.39 O 13.88 -13.46 C:15001 24.49 -11.20 C:8 20.11 -11.39 C:103 10.26 -12.78 C:104 10.26 -11.39 C:102 11.46 -13.46 C:105 11.46 -10.70 C:15 22.76 -9.52 C:3 15.08 -12.78 C:101 12.69 -12.78 C:4 16.33 -13.52 C:13 21.36 -9.16 C:9 18.85 -10.62 C:5 17.60 -12.78 C:10 17.60 -11.39 37 1 -1 38 2 -1 3 26 1 35 4 -2 35 5 -1 36 6 -1 39 7 -2 8 26 2 9 15 1 10 16 1 28 11 -1 29 12 -2 30 13 -2 14 27 2 14 36 1 31 15 -1 16 32 1 17 19 1 17 27 1 18 22 1 18 33 1 19 38 1 20 21 1 20 36 1 21 37 1 22 39 1 23 26 1 32 23 -2 24 31 1 24 34 1 33 25 -2 34 25 -1 27 37 1 28 29 1 28 30 1 29 31 1 30 34 1 32 36 1 33 35 1 35 38 1 37 39 1 38 39 1', '39 42 H 18.85 -11.61 H 17.60 -13.75 C 24.87 -12.56 C 15.28 -14.48 C 17.32 -14.57 C 22.21 -7.98 C 17.60 -9.88 O 25.47 -10.20 O 10.26 -8.61 O 25.13 -8.87 O 9.05 -13.46 O 9.05 -10.70 O 11.46 -14.86 C 21.36 -10.62 C 11.46 -9.30 C 23.79 -8.51 C 20.11 -12.78 C 15.08 -11.39 C 18.85 -13.46 C 20.11 -8.45 C 18.85 -9.16 C 16.33 -10.62 O 23.13 -10.86 O 12.69 -11.39 O 13.88 -13.46 C 24.49 -11.20 C 20.11 -11.39 C 10.26 -12.78 C 10.26 -11.39 C 11.46 -13.46 C 11.46 -10.70 C 22.76 -9.52 C 15.08 -12.78 C 12.69 -12.78 C 16.33 -13.52 C 21.36 -9.16 C 18.85 -10.62 C 17.60 -12.78 C 17.60 -11.39 37 1 -1 38 2 -1 3 26 1 35 4 -2 35 5 -1 36 6 -1 39 7 -2 8 26 2 9 15 1 10 16 1 28 11 -1 29 12 -2 30 13 -2 14 27 2 14 36 1 31 15 -1 16 32 1 17 19 1 17 27 1 18 22 1 18 33 1 19 38 1 20 21 1 20 36 1 21 37 1 22 39 1 23 26 1 32 23 -2 24 31 1 24 34 1 33 25 -2 34 25 -1 27 37 1 28 29 1 28 30 1 29 31 1 30 34 1 32 36 1 33 35 1 35 38 1 37 39 1 38 39 1', '39 42 H 18.85 -11.61 H 17.60 -13.75 C:22 24.87 -12.56 C:16 15.28 -14.48 C:30 17.32 -14.57 C:24 22.21 -7.98 C:18 17.60 -9.88 O 25.47 -10.20 O 10.26 -8.61 O 25.13 -8.87 O 9.05 -13.46 O 9.05 -10.70 O 11.46 -14.86 C:129 21.36 -10.62 C:64 11.46 -9.30 C:63 23.79 -8.51 C:38 20.11 -12.78 C:25 15.08 -11.39 C:24 18.85 -13.46 C:34 20.11 -8.45 C:20 18.85 -9.16 C:39 16.33 -10.62 O 23.13 -10.86 O 12.69 -11.39 O 13.88 -13.46 C:174 24.49 -11.20 C:142 20.11 -11.39 C:78 10.26 -12.78 C:72 10.26 -11.39 C:76 11.46 -13.46 C:79 11.46 -10.70 C:80 22.76 -9.52 C:87 15.08 -12.78 C:102 12.69 -12.78 C:40 16.33 -13.52 C:39 21.36 -9.16 C:52 18.85 -10.62 C:57 17.60 -12.78 C:40 17.60 -11.39 37 1 -1 38 2 -1 3 26 1 35 4 -2 35 5 -1 36 6 -1 39 7 -2 8 26 2 9 15 1 10 16 1 28 11 -1 29 12 -2 30 13 -2 14 27 2 14 36 1 31 15 -1 16 32 1 17 19 1 17 27 1 18 22 1 18 33 1 19 38 1 20 21 1 20 36 1 21 37 1 22 39 1 23 26 1 32 23 -2 24 31 1 24 34 1 33 25 -2 34 25 -1 27 37 1 28 29 1 28 30 1 29 31 1 30 34 1 32 36 1 33 35 1 35 38 1 37 39 1 38 39 1', 'C28H46O9', 526.31, 'M', 'np07_567_5', 3818, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15102, 'Lapachol-1,4-di-O-β-D-glucopyranoside', '', 'Aromatics', 'Naphthalenes', 'Naphthoquinones', '[CH3:3301][C:3003]([CH3:3004])=[CH:3002][CH2:3001][c:3]3[c:2](O)[c:1](O[C@@H:101]1O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]1O)[c:9]2[cH:8][cH:7][cH:6][cH:5][c:10]2[c:4]3O[C@@H:201]4O[C@H:205]([CH2:206]O)[C@@H:204](O)[C@H:203](O)[C@H:202]4O', 'CC(C)=CCc3c(O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2ccccc2c3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O', '[CH3:26][C:130]([CH3:18])=[CH:123][CH2:24][c:125]3[c:145](O)[c:135](O[C@@H:107]1O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:76](O)[C@H:72]1O)[c:128]2[cH:126][cH:123][cH:123][cH:122][c:122]2[c:147]3O[C@@H:105]4O[C@H:77]([CH2:61]O)[C@@H:70](O)[C@H:77](O)[C@H:74]4O', '40 43 C:3301 22.68 -12.18 C:3004 21.46 -14.27 O 21.46 -10.00 O 11.76 -12.79 O 19.06 -10.05 O 19.06 -4.42 O 14.18 -18.41 O 21.46 -5.80 O 11.76 -16.99 O 16.62 -5.84 O 16.62 -17.03 C:3002 20.26 -12.16 C:7 12.98 -10.74 C:6 12.99 -12.14 C:8 14.18 -10.03 C:5 14.18 -12.83 C:106 21.46 -8.60 C:206 11.76 -14.19 C:3001 19.06 -12.85 O 16.62 -8.63 O 16.62 -14.23 O 19.06 -8.61 O 14.18 -14.21 C:3003 21.46 -12.87 C:2 17.84 -10.74 C:3 17.84 -12.14 C:1 16.62 -10.03 C:4 16.63 -12.83 C:9 15.41 -10.74 C:10 15.41 -12.14 C:103 19.06 -5.82 C:203 14.18 -17.01 C:104 20.26 -6.51 C:204 12.98 -16.30 C:102 17.84 -6.53 C:202 15.41 -16.32 C:105 20.26 -7.91 C:205 12.99 -14.90 C:101 17.84 -7.93 C:201 15.41 -14.92 1 24 1 2 24 1 3 17 1 4 18 1 5 25 1 31 6 -1 32 7 -1 33 8 -2 34 9 -2 35 10 -2 36 11 -2 12 19 1 12 24 2 13 14 1 13 15 2 14 16 2 15 29 1 16 30 1 37 17 -1 38 18 -1 19 26 1 20 27 1 39 20 -1 21 28 1 40 21 -1 22 37 1 22 39 1 23 38 1 23 40 1 25 26 1 25 27 2 26 28 2 27 29 1 28 30 1 29 30 2 31 33 1 31 35 1 32 34 1 32 36 1 33 37 1 34 38 1 35 39 1 36 40 1', '40 43 C 22.68 -12.18 C 21.46 -14.27 O 21.46 -10.00 O 11.76 -12.79 O 19.06 -10.05 O 19.06 -4.42 O 14.18 -18.41 O 21.46 -5.80 O 11.76 -16.99 O 16.62 -5.84 O 16.62 -17.03 C 20.26 -12.16 C 12.98 -10.74 C 12.99 -12.14 C 14.18 -10.03 C 14.18 -12.83 C 21.46 -8.60 C 11.76 -14.19 C 19.06 -12.85 O 16.62 -8.63 O 16.62 -14.23 O 19.06 -8.61 O 14.18 -14.21 C 21.46 -12.87 C 17.84 -10.74 C 17.84 -12.14 C 16.62 -10.03 C 16.63 -12.83 C 15.41 -10.74 C 15.41 -12.14 C 19.06 -5.82 C 14.18 -17.01 C 20.26 -6.51 C 12.98 -16.30 C 17.84 -6.53 C 15.41 -16.32 C 20.26 -7.91 C 12.99 -14.90 C 17.84 -7.93 C 15.41 -14.92 1 24 1 2 24 1 3 17 1 4 18 1 5 25 1 31 6 -1 32 7 -1 33 8 -2 34 9 -2 35 10 -2 36 11 -2 12 19 1 12 24 2 13 14 1 13 15 2 14 16 2 15 29 1 16 30 1 37 17 -1 38 18 -1 19 26 1 20 27 1 39 20 -1 21 28 1 40 21 -1 22 37 1 22 39 1 23 38 1 23 40 1 25 26 1 25 27 2 26 28 2 27 29 1 28 30 1 29 30 2 31 33 1 31 35 1 32 34 1 32 36 1 33 37 1 34 38 1 35 39 1 36 40 1', '40 43 C:26 22.68 -12.18 C:18 21.46 -14.27 O 21.46 -10.00 O 11.76 -12.79 O 19.06 -10.05 O 19.06 -4.42 O 14.18 -18.41 O 21.46 -5.80 O 11.76 -16.99 O 16.62 -5.84 O 16.62 -17.03 C:123 20.26 -12.16 C:123 12.98 -10.74 C:123 12.99 -12.14 C:126 14.18 -10.03 C:122 14.18 -12.83 C:61 21.46 -8.60 C:61 11.76 -14.19 C:24 19.06 -12.85 O 16.62 -8.63 O 16.62 -14.23 O 19.06 -8.61 O 14.18 -14.21 C:130 21.46 -12.87 C:145 17.84 -10.74 C:125 17.84 -12.14 C:135 16.62 -10.03 C:147 16.63 -12.83 C:128 15.41 -10.74 C:122 15.41 -12.14 C:76 19.06 -5.82 C:77 14.18 -17.01 C:70 20.26 -6.51 C:70 12.98 -16.30 C:72 17.84 -6.53 C:74 15.41 -16.32 C:77 20.26 -7.91 C:77 12.99 -14.90 C:107 17.84 -7.93 C:105 15.41 -14.92 1 24 1 2 24 1 3 17 1 4 18 1 5 25 1 31 6 -1 32 7 -1 33 8 -2 34 9 -2 35 10 -2 36 11 -2 12 19 1 12 24 2 13 14 1 13 15 2 14 16 2 15 29 1 16 30 1 37 17 -1 38 18 -1 19 26 1 20 27 1 39 20 -1 21 28 1 40 21 -1 22 37 1 22 39 1 23 38 1 23 40 1 25 26 1 25 27 2 26 28 2 27 29 1 28 30 1 29 30 2 31 33 1 31 35 1 32 34 1 32 36 1 33 37 1 34 38 1 35 39 1 36 40 1', 'C27H36O13', 568.281, 'D', 'np07_567_6', 3818, '', '', '1', 1, NULL, NULL),
(15103, 'Oxaloterpin A', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O[C:3001](=O)[C:3002](=O)N(O)[C:3003]([CH3:3004])=O)[CH2:2][CH2:1][C@@:10]1([CH3:20])[C:9]2=[CH:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1([H])[C@](C)(C)[C@H](OC(=O)C(=O)N(O)C(C)=O)CC[C@@]1(C)C2=CC[C@](C)(C=C)C3', '[H][C@@:29]23[CH2:27][CH2:18][C@:45]1([H])[C@:38]([CH3:28])([CH3:16])[C@H:86](O[C:158](=O)[C:153](=O)N(O)[C:168]([CH3:18])=O)[CH2:24][CH2:38][C@@:37]1([CH3:25])[C:150]2=[CH:117][CH2:38][C@:35]([CH3:23])([CH:150]=[CH2:109])[CH2:42]3', '32 34 H 21.57 -10.40 H 19.04 -13.71 C:16 25.22 -8.50 C:3004 9.30 -12.75 C:17 23.64 -7.98 C:18 18.76 -14.55 C:19 16.74 -14.46 C:20 19.04 -9.88 O 10.50 -14.86 O 14.15 -11.35 O 12.94 -14.86 O 11.73 -11.35 C:15 24.20 -9.51 C:11 20.31 -9.15 C:12 21.57 -8.44 C:2 16.55 -11.35 C:7 21.57 -12.75 C:6 20.31 -13.45 C:1 17.78 -10.60 C:14 22.80 -10.60 O 15.35 -13.45 C:3003 10.50 -13.45 C:3001 14.15 -12.75 C:3002 12.94 -13.45 C:9 20.31 -10.60 C:3 16.55 -12.75 N 11.73 -12.75 C:8 21.57 -11.35 C:13 22.80 -9.15 C:4 17.78 -13.45 C:5 19.04 -12.75 C:10 19.04 -11.35 28 1 -1 31 2 -1 3 13 2 4 22 1 29 5 -1 30 6 -1 30 7 -2 32 8 -2 9 22 2 10 23 2 11 24 2 12 27 1 29 13 -2 14 15 1 14 25 2 15 29 1 16 19 1 16 26 1 17 18 1 17 28 1 18 31 1 19 32 1 20 28 1 20 29 1 21 23 1 26 21 -2 22 27 1 23 24 1 24 27 1 25 28 1 25 32 1 26 30 1 30 31 1 31 32 1', '32 34 H 21.57 -10.40 H 19.04 -13.71 C 25.22 -8.50 C 9.30 -12.75 C 23.64 -7.98 C 18.76 -14.55 C 16.74 -14.46 C 19.04 -9.88 O 10.50 -14.86 O 14.15 -11.35 O 12.94 -14.86 O 11.73 -11.35 C 24.20 -9.51 C 20.31 -9.15 C 21.57 -8.44 C 16.55 -11.35 C 21.57 -12.75 C 20.31 -13.45 C 17.78 -10.60 C 22.80 -10.60 O 15.35 -13.45 C 10.50 -13.45 C 14.15 -12.75 C 12.94 -13.45 C 20.31 -10.60 C 16.55 -12.75 N 11.73 -12.75 C 21.57 -11.35 C 22.80 -9.15 C 17.78 -13.45 C 19.04 -12.75 C 19.04 -11.35 28 1 -1 31 2 -1 3 13 2 4 22 1 29 5 -1 30 6 -1 30 7 -2 32 8 -2 9 22 2 10 23 2 11 24 2 12 27 1 29 13 -2 14 15 1 14 25 2 15 29 1 16 19 1 16 26 1 17 18 1 17 28 1 18 31 1 19 32 1 20 28 1 20 29 1 21 23 1 26 21 -2 22 27 1 23 24 1 24 27 1 25 28 1 25 32 1 26 30 1 30 31 1 31 32 1', '32 34 H 21.57 -10.40 H 19.04 -13.71 C:109 25.22 -8.50 C:18 9.30 -12.75 C:23 23.64 -7.98 C:28 18.76 -14.55 C:16 16.74 -14.46 C:25 19.04 -9.88 O 10.50 -14.86 O 14.15 -11.35 O 12.94 -14.86 O 11.73 -11.35 C:150 24.20 -9.51 C:117 20.31 -9.15 C:38 21.57 -8.44 C:24 16.55 -11.35 C:27 21.57 -12.75 C:18 20.31 -13.45 C:38 17.78 -10.60 C:42 22.80 -10.60 O 15.35 -13.45 C:168 10.50 -13.45 C:158 14.15 -12.75 C:153 12.94 -13.45 C:150 20.31 -10.60 C:86 16.55 -12.75 N 11.73 -12.75 C:29 21.57 -11.35 C:35 22.80 -9.15 C:38 17.78 -13.45 C:45 19.04 -12.75 C:37 19.04 -11.35 28 1 -1 31 2 -1 3 13 2 4 22 1 29 5 -1 30 6 -1 30 7 -2 32 8 -2 9 22 2 10 23 2 11 24 2 12 27 1 29 13 -2 14 15 1 14 25 2 15 29 1 16 19 1 16 26 1 17 18 1 17 28 1 18 31 1 19 32 1 20 28 1 20 29 1 21 23 1 26 21 -2 22 27 1 23 24 1 24 27 1 25 28 1 25 32 1 26 30 1 30 31 1 31 32 1', 'C24H35NO5', 417.276, 'C', 'np07_1712_1', 3819, '', '', '1', 1, NULL, NULL),
(15104, 'Oxaloterpin B', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O[C:3001](=O)N[C:3002](=O)N[CH2:3003][CH2:3004]O)[CH2:2][CH2:1][C@@:10]1([CH3:20])[C:9]2=[CH:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1([H])[C@@](C)(C)[C@H](OC(=O)NC(=O)NCCO)CC[C@@]1(C)C2=CC[C@](C)(C=C)C3', '[H][C@@:29]23[CH2:27][CH2:18][C@:45]1([H])[C@@:38]([CH3:16])([CH3:28])[C@H:84](O[C:154](=O)N[C:154](=O)N[CH2:43][CH2:63]O)[CH2:25][CH2:38][C@@:38]1([CH3:25])[C:150]2=[CH:116][CH2:37][C@:35]([CH3:22])([CH:150]=[CH2:109])[CH2:42]3', '32 34 H 22.74 -10.53 H 20.23 -13.82 C:16 26.39 -8.64 C:17 24.81 -8.13 C:19 17.93 -14.57 C:18 19.95 -14.66 C:20 20.23 -10.01 O 12.91 -11.51 O 15.33 -11.51 O 8.07 -12.95 C:15 25.37 -9.64 C:11 21.50 -9.28 C:3004 9.29 -13.64 C:3003 10.49 -12.95 C:12 22.74 -8.58 C:2 17.74 -11.51 C:7 22.74 -12.88 C:1 18.97 -10.73 C:6 21.50 -13.64 C:14 23.97 -10.73 N 11.70 -13.64 N 14.12 -13.64 O 16.54 -13.58 C:3002 12.91 -12.95 C:3001 15.33 -12.95 C:9 21.50 -10.73 C:3 17.74 -12.88 C:8 22.74 -11.51 C:13 23.97 -9.28 C:4 18.97 -13.58 C:5 20.23 -12.88 C:10 20.23 -11.51 28 1 -1 31 2 -1 3 11 2 29 4 -1 30 5 -2 30 6 -1 32 7 -2 8 24 2 9 25 2 10 13 1 29 11 -2 12 15 1 12 26 2 13 14 1 14 21 1 15 29 1 16 18 1 16 27 1 17 19 1 17 28 1 18 32 1 19 31 1 20 28 1 20 29 1 21 24 1 22 24 1 22 25 1 23 25 1 27 23 -2 26 28 1 26 32 1 27 30 1 30 31 1 31 32 1', '32 34 H 22.74 -10.53 H 20.23 -13.82 C 26.39 -8.64 C 24.81 -8.13 C 17.93 -14.57 C 19.95 -14.66 C 20.23 -10.01 O 12.91 -11.51 O 15.33 -11.51 O 8.07 -12.95 C 25.37 -9.64 C 21.50 -9.28 C 9.29 -13.64 C 10.49 -12.95 C 22.74 -8.58 C 17.74 -11.51 C 22.74 -12.88 C 18.97 -10.73 C 21.50 -13.64 C 23.97 -10.73 N 11.70 -13.64 N 14.12 -13.64 O 16.54 -13.58 C 12.91 -12.95 C 15.33 -12.95 C 21.50 -10.73 C 17.74 -12.88 C 22.74 -11.51 C 23.97 -9.28 C 18.97 -13.58 C 20.23 -12.88 C 20.23 -11.51 28 1 -1 31 2 -1 3 11 2 29 4 -1 30 5 -2 30 6 -1 32 7 -2 8 24 2 9 25 2 10 13 1 29 11 -2 12 15 1 12 26 2 13 14 1 14 21 1 15 29 1 16 18 1 16 27 1 17 19 1 17 28 1 18 32 1 19 31 1 20 28 1 20 29 1 21 24 1 22 24 1 22 25 1 23 25 1 27 23 -2 26 28 1 26 32 1 27 30 1 30 31 1 31 32 1', '32 34 H 22.74 -10.53 H 20.23 -13.82 C:109 26.39 -8.64 C:22 24.81 -8.13 C:16 17.93 -14.57 C:28 19.95 -14.66 C:25 20.23 -10.01 O 12.91 -11.51 O 15.33 -11.51 O 8.07 -12.95 C:150 25.37 -9.64 C:116 21.50 -9.28 C:63 9.29 -13.64 C:43 10.49 -12.95 C:37 22.74 -8.58 C:25 17.74 -11.51 C:27 22.74 -12.88 C:38 18.97 -10.73 C:18 21.50 -13.64 C:42 23.97 -10.73 N 11.70 -13.64 N 14.12 -13.64 O 16.54 -13.58 C:154 12.91 -12.95 C:154 15.33 -12.95 C:150 21.50 -10.73 C:84 17.74 -12.88 C:29 22.74 -11.51 C:35 23.97 -9.28 C:38 18.97 -13.58 C:45 20.23 -12.88 C:38 20.23 -11.51 28 1 -1 31 2 -1 3 11 2 29 4 -1 30 5 -2 30 6 -1 32 7 -2 8 24 2 9 25 2 10 13 1 29 11 -2 12 15 1 12 26 2 13 14 1 14 21 1 15 29 1 16 18 1 16 27 1 17 19 1 17 28 1 18 32 1 19 31 1 20 28 1 20 29 1 21 24 1 22 24 1 22 25 1 23 25 1 27 23 -2 26 28 1 26 32 1 27 30 1 30 31 1 31 32 1', 'C24H38N2O4', 418.284, 'C', 'np07_1712_2', 3819, '', '', '1', 1, NULL, NULL),
(15105, 'Oxaloterpin C', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O[C:3001](=O)[C:3002](=O)NO)[CH2:2][CH2:1][C@@:10]1([CH3:20])[C:9]2=[CH:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1([H])[C@](C)(C)[C@H](OC(=O)C(=O)NO)CC[C@@]1(C)C2=CC[C@](C)(C=C)C3', '[H][C@@:29]23[CH2:27][CH2:18][C@:45]1([H])[C@:38]([CH3:28])([CH3:16])[C@H:85](O[C:158](=O)[C:154](=O)NO)[CH2:24][CH2:38][C@@:38]1([CH3:25])[C:150]2=[CH:116][CH2:38][C@:35]([CH3:22])([CH:150]=[CH2:109])[CH2:41]3', '29 31 H 20.90 -10.31 H 18.39 -13.60 C:16 24.55 -8.42 C:17 22.97 -7.91 C:18 18.11 -14.44 C:19 16.09 -14.35 C:20 18.39 -9.79 O 12.33 -14.91 O 13.49 -11.29 O 9.91 -13.68 C:15 23.53 -9.42 C:11 19.66 -9.06 C:12 20.90 -8.36 C:2 15.90 -11.29 C:7 20.90 -12.66 C:1 17.13 -10.51 C:6 19.66 -13.42 C:14 22.13 -10.51 N 11.07 -12.90 O 14.70 -13.36 C:3002 12.33 -13.51 C:3001 13.49 -12.73 C:9 19.66 -10.51 C:3 15.90 -12.66 C:8 20.90 -11.29 C:13 22.13 -9.06 C:4 17.13 -13.36 C:5 18.39 -12.66 C:10 18.39 -11.29 25 1 -1 28 2 -1 3 11 2 26 4 -1 27 5 -1 27 6 -2 29 7 -2 8 21 2 9 22 2 10 19 1 26 11 -2 12 13 1 12 23 2 13 26 1 14 16 1 14 24 1 15 17 1 15 25 1 16 29 1 17 28 1 18 25 1 18 26 1 19 21 1 20 22 1 24 20 -2 21 22 1 23 25 1 23 29 1 24 27 1 27 28 1 28 29 1', '29 31 H 20.90 -10.31 H 18.39 -13.60 C 24.55 -8.42 C 22.97 -7.91 C 18.11 -14.44 C 16.09 -14.35 C 18.39 -9.79 O 12.33 -14.91 O 13.49 -11.29 O 9.91 -13.68 C 23.53 -9.42 C 19.66 -9.06 C 20.90 -8.36 C 15.90 -11.29 C 20.90 -12.66 C 17.13 -10.51 C 19.66 -13.42 C 22.13 -10.51 N 11.07 -12.90 O 14.70 -13.36 C 12.33 -13.51 C 13.49 -12.73 C 19.66 -10.51 C 15.90 -12.66 C 20.90 -11.29 C 22.13 -9.06 C 17.13 -13.36 C 18.39 -12.66 C 18.39 -11.29 25 1 -1 28 2 -1 3 11 2 26 4 -1 27 5 -1 27 6 -2 29 7 -2 8 21 2 9 22 2 10 19 1 26 11 -2 12 13 1 12 23 2 13 26 1 14 16 1 14 24 1 15 17 1 15 25 1 16 29 1 17 28 1 18 25 1 18 26 1 19 21 1 20 22 1 24 20 -2 21 22 1 23 25 1 23 29 1 24 27 1 27 28 1 28 29 1', '29 31 H 20.90 -10.31 H 18.39 -13.60 C:109 24.55 -8.42 C:22 22.97 -7.91 C:28 18.11 -14.44 C:16 16.09 -14.35 C:25 18.39 -9.79 O 12.33 -14.91 O 13.49 -11.29 O 9.91 -13.68 C:150 23.53 -9.42 C:116 19.66 -9.06 C:38 20.90 -8.36 C:24 15.90 -11.29 C:27 20.90 -12.66 C:38 17.13 -10.51 C:18 19.66 -13.42 C:41 22.13 -10.51 N 11.07 -12.90 O 14.70 -13.36 C:154 12.33 -13.51 C:158 13.49 -12.73 C:150 19.66 -10.51 C:85 15.90 -12.66 C:29 20.90 -11.29 C:35 22.13 -9.06 C:38 17.13 -13.36 C:45 18.39 -12.66 C:38 18.39 -11.29 25 1 -1 28 2 -1 3 11 2 26 4 -1 27 5 -1 27 6 -2 29 7 -2 8 21 2 9 22 2 10 19 1 26 11 -2 12 13 1 12 23 2 13 26 1 14 16 1 14 24 1 15 17 1 15 25 1 16 29 1 17 28 1 18 25 1 18 26 1 19 21 1 20 22 1 24 20 -2 21 22 1 23 25 1 23 29 1 24 27 1 27 28 1 28 29 1', 'C22H33NO4', 375.256, 'C', 'np07_1712_3', 3819, '', '', '1', 1, NULL, NULL),
(15106, 'Oxaloterpin D', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O[C:3001](=O)[C:3002](N)=O)[CH2:2][CH2:1][C@@:10]1([CH3:20])[C:9]2=[CH:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1([H])[C@@](C)(C)[C@H](OC(=O)C(N)=O)CC[C@@]1(C)C2=CC[C@](C)(C=C)C3', '[H][C@@:29]23[CH2:27][CH2:18][C@:45]1([H])[C@@:38]([CH3:16])([CH3:28])[C@H:85](O[C:158](=O)[C:160](N)=O)[CH2:24][CH2:38][C@@:38]1([CH3:25])[C:150]2=[CH:116][CH2:38][C@:35]([CH3:22])([CH:150]=[CH2:109])[CH2:42]3', '28 30 H 20.34 -10.31 H 17.83 -13.60 C:16 23.99 -8.42 C:17 22.41 -7.91 C:19 15.53 -14.35 C:18 17.55 -14.44 C:20 17.83 -9.79 N 10.51 -12.90 O 11.77 -14.91 O 12.93 -11.29 C:15 22.97 -9.42 C:11 19.10 -9.06 C:12 20.34 -8.36 C:2 15.34 -11.29 C:1 16.57 -10.51 C:7 20.34 -12.66 C:6 19.10 -13.42 C:14 21.57 -10.51 O 14.14 -13.36 C:3002 11.77 -13.51 C:3001 12.93 -12.73 C:9 19.10 -10.51 C:3 15.34 -12.66 C:8 20.34 -11.29 C:13 21.57 -9.06 C:4 16.57 -13.36 C:5 17.83 -12.66 C:10 17.83 -11.29 24 1 -1 27 2 -1 3 11 2 25 4 -1 26 5 -2 26 6 -1 28 7 -2 8 20 1 9 20 2 10 21 2 25 11 -2 12 13 1 12 22 2 13 25 1 14 15 1 14 23 1 15 28 1 16 17 1 16 24 1 17 27 1 18 24 1 18 25 1 19 21 1 23 19 -2 20 21 1 22 24 1 22 28 1 23 26 1 26 27 1 27 28 1', '28 30 H 20.34 -10.31 H 17.83 -13.60 C 23.99 -8.42 C 22.41 -7.91 C 15.53 -14.35 C 17.55 -14.44 C 17.83 -9.79 N 10.51 -12.90 O 11.77 -14.91 O 12.93 -11.29 C 22.97 -9.42 C 19.10 -9.06 C 20.34 -8.36 C 15.34 -11.29 C 16.57 -10.51 C 20.34 -12.66 C 19.10 -13.42 C 21.57 -10.51 O 14.14 -13.36 C 11.77 -13.51 C 12.93 -12.73 C 19.10 -10.51 C 15.34 -12.66 C 20.34 -11.29 C 21.57 -9.06 C 16.57 -13.36 C 17.83 -12.66 C 17.83 -11.29 24 1 -1 27 2 -1 3 11 2 25 4 -1 26 5 -2 26 6 -1 28 7 -2 8 20 1 9 20 2 10 21 2 25 11 -2 12 13 1 12 22 2 13 25 1 14 15 1 14 23 1 15 28 1 16 17 1 16 24 1 17 27 1 18 24 1 18 25 1 19 21 1 23 19 -2 20 21 1 22 24 1 22 28 1 23 26 1 26 27 1 27 28 1', '28 30 H 20.34 -10.31 H 17.83 -13.60 C:109 23.99 -8.42 C:22 22.41 -7.91 C:16 15.53 -14.35 C:28 17.55 -14.44 C:25 17.83 -9.79 N 10.51 -12.90 O 11.77 -14.91 O 12.93 -11.29 C:150 22.97 -9.42 C:116 19.10 -9.06 C:38 20.34 -8.36 C:24 15.34 -11.29 C:38 16.57 -10.51 C:27 20.34 -12.66 C:18 19.10 -13.42 C:42 21.57 -10.51 O 14.14 -13.36 C:160 11.77 -13.51 C:158 12.93 -12.73 C:150 19.10 -10.51 C:85 15.34 -12.66 C:29 20.34 -11.29 C:35 21.57 -9.06 C:38 16.57 -13.36 C:45 17.83 -12.66 C:38 17.83 -11.29 24 1 -1 27 2 -1 3 11 2 25 4 -1 26 5 -2 26 6 -1 28 7 -2 8 20 1 9 20 2 10 21 2 25 11 -2 12 13 1 12 22 2 13 25 1 14 15 1 14 23 1 15 28 1 16 17 1 16 24 1 17 27 1 18 24 1 18 25 1 19 21 1 23 19 -2 20 21 1 22 24 1 22 28 1 23 26 1 26 27 1 27 28 1', 'C22H33NO3', 359.256, 'C', 'np07_1712_4', 3819, '', '', '1', 1, NULL, NULL),
(15107, 'Oxaloterpin E', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O[C:3001](N)=O)[CH2:2][CH2:1][C@@:10]1([CH3:20])[C:9]2=[CH:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1([H])[C@](C)(C)[C@H](OC(N)=O)CC[C@@]1(C)C2=CC[C@](C)(C=C)C3', '[H][C@@:29]23[CH2:27][CH2:18][C@:45]1([H])[C@:38]([CH3:28])([CH3:16])[C@H:82](O[C:157](N)=O)[CH2:25][CH2:39][C@@:38]1([CH3:25])[C:151]2=[CH:116][CH2:38][C@:35]([CH3:22])([CH:150]=[CH2:109])[CH2:42]3', '26 28 H 19.73 -10.54 H 17.22 -13.83 C:16 23.38 -8.65 C:17 21.80 -8.14 C:18 16.94 -14.67 C:19 14.92 -14.58 C:20 17.22 -10.02 N 11.16 -13.74 O 12.32 -11.52 C:15 22.36 -9.65 C:11 18.49 -9.29 C:12 19.73 -8.59 C:2 14.73 -11.52 C:7 19.73 -12.89 C:1 15.96 -10.74 C:6 18.49 -13.65 C:14 20.96 -10.74 O 13.53 -13.59 C:3001 12.32 -12.96 C:9 18.49 -10.74 C:3 14.73 -12.89 C:8 19.73 -11.52 C:13 20.96 -9.29 C:4 15.96 -13.59 C:5 17.22 -12.89 C:10 17.22 -11.52 22 1 -1 25 2 -1 3 10 2 23 4 -1 24 5 -1 24 6 -2 26 7 -2 8 19 1 9 19 2 23 10 -2 11 12 1 11 20 2 12 23 1 13 15 1 13 21 1 14 16 1 14 22 1 15 26 1 16 25 1 17 22 1 17 23 1 18 19 1 21 18 -2 20 22 1 20 26 1 21 24 1 24 25 1 25 26 1', '26 28 H 19.73 -10.54 H 17.22 -13.83 C 23.38 -8.65 C 21.80 -8.14 C 16.94 -14.67 C 14.92 -14.58 C 17.22 -10.02 N 11.16 -13.74 O 12.32 -11.52 C 22.36 -9.65 C 18.49 -9.29 C 19.73 -8.59 C 14.73 -11.52 C 19.73 -12.89 C 15.96 -10.74 C 18.49 -13.65 C 20.96 -10.74 O 13.53 -13.59 C 12.32 -12.96 C 18.49 -10.74 C 14.73 -12.89 C 19.73 -11.52 C 20.96 -9.29 C 15.96 -13.59 C 17.22 -12.89 C 17.22 -11.52 22 1 -1 25 2 -1 3 10 2 23 4 -1 24 5 -1 24 6 -2 26 7 -2 8 19 1 9 19 2 23 10 -2 11 12 1 11 20 2 12 23 1 13 15 1 13 21 1 14 16 1 14 22 1 15 26 1 16 25 1 17 22 1 17 23 1 18 19 1 21 18 -2 20 22 1 20 26 1 21 24 1 24 25 1 25 26 1', '26 28 H 19.73 -10.54 H 17.22 -13.83 C:109 23.38 -8.65 C:22 21.80 -8.14 C:28 16.94 -14.67 C:16 14.92 -14.58 C:25 17.22 -10.02 N 11.16 -13.74 O 12.32 -11.52 C:150 22.36 -9.65 C:116 18.49 -9.29 C:38 19.73 -8.59 C:25 14.73 -11.52 C:27 19.73 -12.89 C:39 15.96 -10.74 C:18 18.49 -13.65 C:42 20.96 -10.74 O 13.53 -13.59 C:157 12.32 -12.96 C:151 18.49 -10.74 C:82 14.73 -12.89 C:29 19.73 -11.52 C:35 20.96 -9.29 C:38 15.96 -13.59 C:45 17.22 -12.89 C:38 17.22 -11.52 22 1 -1 25 2 -1 3 10 2 23 4 -1 24 5 -1 24 6 -2 26 7 -2 8 19 1 9 19 2 23 10 -2 11 12 1 11 20 2 12 23 1 13 15 1 13 21 1 14 16 1 14 22 1 15 26 1 16 25 1 17 22 1 17 23 1 18 19 1 21 18 -2 20 22 1 20 26 1 21 24 1 24 25 1 25 26 1', 'C21H33NO2', 331.246, 'C', 'np07_1712_5', 3819, '', '', '1', 1, NULL, NULL),
(15108, 'Viguirpinone', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([H])[C@@:4]([CH3:19])([CH3:18])[C:3](=O)[CH2:2][CH2:1][C@@:10]1([CH3:20])[C:9]2=[CH:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1([H])[C@@](C)(C)C(=O)CC[C@@]1(C)C2=CC[C@](C)(C=C)C3', '[H][C@@:29]23[CH2:27][CH2:19][C@:47]1([H])[C@@:48]([CH3:25])([CH3:22])[C:217](=O)[CH2:35][CH2:40][C@@:38]1([CH3:24])[C:150]2=[CH:117][CH2:38][C@:35]([CH3:22])([CH:150]=[CH2:109])[CH2:42]3', '23 25 H 18.50 -10.54 H 15.99 -13.83 C:16 22.15 -8.65 C:19 13.69 -14.58 C:18 15.71 -14.67 C:17 20.57 -8.14 C:20 15.99 -10.02 O 12.30 -13.59 C:15 21.13 -9.65 C:11 17.26 -9.29 C:12 18.50 -8.59 C:2 13.50 -11.52 C:7 18.50 -12.89 C:1 14.73 -10.74 C:6 17.26 -13.65 C:14 19.73 -10.74 C:3 13.50 -12.89 C:9 17.26 -10.74 C:8 18.50 -11.52 C:4 14.73 -13.59 C:13 19.73 -9.29 C:5 15.99 -12.89 C:10 15.99 -11.52 19 1 -1 22 2 -1 3 9 2 20 4 -2 20 5 -1 21 6 -1 23 7 -2 8 17 2 21 9 -2 10 11 1 10 18 2 11 21 1 12 14 1 12 17 1 13 15 1 13 19 1 14 23 1 15 22 1 16 19 1 16 21 1 17 20 1 18 19 1 18 23 1 20 22 1 22 23 1', '23 25 H 18.50 -10.54 H 15.99 -13.83 C 22.15 -8.65 C 13.69 -14.58 C 15.71 -14.67 C 20.57 -8.14 C 15.99 -10.02 O 12.30 -13.59 C 21.13 -9.65 C 17.26 -9.29 C 18.50 -8.59 C 13.50 -11.52 C 18.50 -12.89 C 14.73 -10.74 C 17.26 -13.65 C 19.73 -10.74 C 13.50 -12.89 C 17.26 -10.74 C 18.50 -11.52 C 14.73 -13.59 C 19.73 -9.29 C 15.99 -12.89 C 15.99 -11.52 19 1 -1 22 2 -1 3 9 2 20 4 -2 20 5 -1 21 6 -1 23 7 -2 8 17 2 21 9 -2 10 11 1 10 18 2 11 21 1 12 14 1 12 17 1 13 15 1 13 19 1 14 23 1 15 22 1 16 19 1 16 21 1 17 20 1 18 19 1 18 23 1 20 22 1 22 23 1', '23 25 H 18.50 -10.54 H 15.99 -13.83 C:109 22.15 -8.65 C:25 13.69 -14.58 C:22 15.71 -14.67 C:22 20.57 -8.14 C:24 15.99 -10.02 O 12.30 -13.59 C:150 21.13 -9.65 C:117 17.26 -9.29 C:38 18.50 -8.59 C:35 13.50 -11.52 C:27 18.50 -12.89 C:40 14.73 -10.74 C:19 17.26 -13.65 C:42 19.73 -10.74 C:217 13.50 -12.89 C:150 17.26 -10.74 C:29 18.50 -11.52 C:48 14.73 -13.59 C:35 19.73 -9.29 C:47 15.99 -12.89 C:38 15.99 -11.52 19 1 -1 22 2 -1 3 9 2 20 4 -2 20 5 -1 21 6 -1 23 7 -2 8 17 2 21 9 -2 10 11 1 10 18 2 11 21 1 12 14 1 12 17 1 13 15 1 13 19 1 14 23 1 15 22 1 16 19 1 16 21 1 17 20 1 18 19 1 18 23 1 20 22 1 22 23 1', 'C20H30O', 286.229, 'C', 'np07_1712_6', 3819, '', '', '1', 1, NULL, NULL),
(15109, 'Parnapimarol', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:5]23[CH2:6][CH2:7][C:8]1=[C:9]([CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[C@H:14]1O[C:14001]([CH3:14002])=O)[C@@:10]2([CH3:20])[C@@H:1](O)[CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[C:18001](=O)[CH:18002]([CH3:18201])[CH2:18003][CH3:18004]', '[H][C@@]23CCC1=C(CC[C@@](C)(C=C)[C@H]1OC(C)=O)[C@@]2(C)[C@@H](O)CC[C@@]3(C)COC(=O)C(C)CC', '[H][C@@:39]23[CH2:18][CH2:29][C:129]1=[C:139]([CH2:20][CH2:31][C@@:39]([CH3:24])([CH:142]=[CH2:113])[C@H:78]1O[C:172]([CH3:21])=O)[C@@:43]2([CH3:21])[C@@H:71](O)[CH2:24][CH2:29][C@@:36]3([CH3:17])[CH2:72]O[C:177](=O)[CH:41]([CH3:17])[CH2:27][CH3:12]', '33 35 H 15.42 -10.90 C:16 21.51 -5.72 C:18004 15.80 -17.69 C:14002 21.51 -10.58 C:18201 13.90 -15.64 C:17 19.98 -5.20 C:19 13.13 -11.61 C:20 15.42 -7.09 O 19.12 -10.58 O 17.04 -13.70 O 14.16 -6.45 C:15 20.53 -6.73 C:18003 16.21 -16.34 C:7 17.92 -9.97 C:11 16.66 -6.38 C:2 12.94 -8.55 C:12 17.92 -5.66 C:6 16.66 -10.67 C:3 12.94 -9.97 C:18 15.13 -11.70 O 14.73 -13.02 O 20.33 -8.55 C:14001 20.33 -9.89 C:18001 15.67 -14.02 C:8 17.92 -8.55 C:9 16.66 -7.82 C:18002 15.27 -15.33 C:1 14.16 -7.82 C:14 19.12 -7.82 C:13 19.12 -6.38 C:5 15.42 -9.97 C:4 14.16 -10.67 C:10 15.42 -8.55 31 1 -2 2 12 2 3 13 1 4 23 1 5 27 1 30 6 -2 32 7 -1 33 8 -1 9 23 2 10 24 2 28 11 -2 30 12 -1 13 27 1 14 18 1 14 25 1 15 17 1 15 26 1 16 19 1 16 28 1 17 30 1 18 31 1 19 32 1 20 21 1 32 20 -2 21 24 1 22 23 1 29 22 -1 24 27 1 25 26 2 25 29 1 26 33 1 28 33 1 29 30 1 31 32 1 31 33 1', '33 35 H 15.42 -10.90 C 21.51 -5.72 C 15.80 -17.69 C 21.51 -10.58 C 13.90 -15.64 C 19.98 -5.20 C 13.13 -11.61 C 15.42 -7.09 O 19.12 -10.58 O 17.04 -13.70 O 14.16 -6.45 C 20.53 -6.73 C 16.21 -16.34 C 17.92 -9.97 C 16.66 -6.38 C 12.94 -8.55 C 17.92 -5.66 C 16.66 -10.67 C 12.94 -9.97 C 15.13 -11.70 O 14.73 -13.02 O 20.33 -8.55 C 20.33 -9.89 C 15.67 -14.02 C 17.92 -8.55 C 16.66 -7.82 C 15.27 -15.33 C 14.16 -7.82 C 19.12 -7.82 C 19.12 -6.38 C 15.42 -9.97 C 14.16 -10.67 C 15.42 -8.55 31 1 -2 2 12 2 3 13 1 4 23 1 5 27 1 30 6 -2 32 7 -1 33 8 -1 9 23 2 10 24 2 28 11 -2 30 12 -1 13 27 1 14 18 1 14 25 1 15 17 1 15 26 1 16 19 1 16 28 1 17 30 1 18 31 1 19 32 1 20 21 1 32 20 -2 21 24 1 22 23 1 29 22 -1 24 27 1 25 26 2 25 29 1 26 33 1 28 33 1 29 30 1 31 32 1 31 33 1', '33 35 H 15.42 -10.90 C:113 21.51 -5.72 C:12 15.80 -17.69 C:21 21.51 -10.58 C:17 13.90 -15.64 C:24 19.98 -5.20 C:17 13.13 -11.61 C:21 15.42 -7.09 O 19.12 -10.58 O 17.04 -13.70 O 14.16 -6.45 C:142 20.53 -6.73 C:27 16.21 -16.34 C:29 17.92 -9.97 C:20 16.66 -6.38 C:24 12.94 -8.55 C:31 17.92 -5.66 C:18 16.66 -10.67 C:29 12.94 -9.97 C:72 15.13 -11.70 O 14.73 -13.02 O 20.33 -8.55 C:172 20.33 -9.89 C:177 15.67 -14.02 C:129 17.92 -8.55 C:139 16.66 -7.82 C:41 15.27 -15.33 C:71 14.16 -7.82 C:78 19.12 -7.82 C:39 19.12 -6.38 C:39 15.42 -9.97 C:36 14.16 -10.67 C:43 15.42 -8.55 31 1 -2 2 12 2 3 13 1 4 23 1 5 27 1 30 6 -2 32 7 -1 33 8 -1 9 23 2 10 24 2 28 11 -2 30 12 -1 13 27 1 14 18 1 14 25 1 15 17 1 15 26 1 16 19 1 16 28 1 17 30 1 18 31 1 19 32 1 20 21 1 32 20 -2 21 24 1 22 23 1 29 22 -1 24 27 1 25 26 2 25 29 1 26 33 1 28 33 1 29 30 1 31 32 1 31 33 1', 'C27H42O5', 446.294, '', 'np08_926_1', 3820, '', '', '1', 1, NULL, NULL),
(15110, 'Nepetaparnone', '', 'Terpenoids', 'Monoterpenoids', 'Iridoids', '[CH3:11][C:4]2=[C:5]1[CH2:6][CH2:7][C@H:8]([CH3:10])[C@:9]13[C:1](=O)O[C@H:3]2[C@:109]45[C:101](=O)O[C@H:103]3[C:104]([CH3:111])=[C:105]4[CH2:106][CH2:107][C@H:108]5[CH3:110]', 'CC2=C1CC[C@H](C)[C@]13C(=O)O[C@H]2[C@]45C(=O)O[C@H]3C(C)=C4CC[C@H]5C', '[CH3:17][C:141]2=[C:133]1[CH2:26][CH2:31][C@H:44]([CH3:17])[C@:68]13[C:172](=O)O[C@H:88]2[C@:68]45[C:172](=O)O[C@H:88]3[C:141]([CH3:17])=[C:133]4[CH2:26][CH2:31][C@H:44]5[CH3:17]', '24 28 C:11 15.63 -9.54 C:111 19.01 -13.19 C:10 12.96 -14.21 C:110 21.58 -8.65 O 15.63 -14.50 O 19.01 -8.36 C:6 13.34 -10.99 C:106 21.19 -11.75 C:7 12.59 -12.01 C:107 21.91 -10.74 O 16.74 -12.66 O 17.96 -10.18 C:4 15.63 -10.74 C:104 19.01 -12.01 C:1 15.63 -13.29 C:101 19.01 -9.54 C:5 14.54 -11.39 C:105 20.05 -11.39 C:8 13.34 -13.05 C:108 21.19 -9.79 C:3 16.74 -11.39 C:103 17.96 -11.39 C:9 14.54 -12.66 C:109 20.05 -10.18 1 13 1 2 14 1 19 3 -1 20 4 -2 5 15 2 6 16 2 7 9 1 7 17 1 8 10 1 8 18 1 9 19 1 10 20 1 11 15 1 11 21 1 12 16 1 12 22 1 13 17 2 13 21 1 14 18 2 14 22 1 23 15 -1 24 16 -2 17 23 1 18 24 1 19 23 1 20 24 1 21 24 -2 22 23 -1', '24 28 C 15.63 -9.54 C 19.01 -13.19 C 12.96 -14.21 C 21.58 -8.65 O 15.63 -14.50 O 19.01 -8.36 C 13.34 -10.99 C 21.19 -11.75 C 12.59 -12.01 C 21.91 -10.74 O 16.74 -12.66 O 17.96 -10.18 C 15.63 -10.74 C 19.01 -12.01 C 15.63 -13.29 C 19.01 -9.54 C 14.54 -11.39 C 20.05 -11.39 C 13.34 -13.05 C 21.19 -9.79 C 16.74 -11.39 C 17.96 -11.39 C 14.54 -12.66 C 20.05 -10.18 1 13 1 2 14 1 19 3 -1 20 4 -2 5 15 2 6 16 2 7 9 1 7 17 1 8 10 1 8 18 1 9 19 1 10 20 1 11 15 1 11 21 1 12 16 1 12 22 1 13 17 2 13 21 1 14 18 2 14 22 1 23 15 -1 24 16 -2 17 23 1 18 24 1 19 23 1 20 24 1 21 24 -2 22 23 -1', '24 28 C:17 15.63 -9.54 C:17 19.01 -13.19 C:17 12.96 -14.21 C:17 21.58 -8.65 O 15.63 -14.50 O 19.01 -8.36 C:26 13.34 -10.99 C:26 21.19 -11.75 C:31 12.59 -12.01 C:31 21.91 -10.74 O 16.74 -12.66 O 17.96 -10.18 C:141 15.63 -10.74 C:141 19.01 -12.01 C:172 15.63 -13.29 C:172 19.01 -9.54 C:133 14.54 -11.39 C:133 20.05 -11.39 C:44 13.34 -13.05 C:44 21.19 -9.79 C:88 16.74 -11.39 C:88 17.96 -11.39 C:68 14.54 -12.66 C:68 20.05 -10.18 1 13 1 2 14 1 19 3 -1 20 4 -2 5 15 2 6 16 2 7 9 1 7 17 1 8 10 1 8 18 1 9 19 1 10 20 1 11 15 1 11 21 1 12 16 1 12 22 1 13 17 2 13 21 1 14 18 2 14 22 1 23 15 -1 24 16 -2 17 23 1 18 24 1 19 23 1 20 24 1 21 24 -2 22 23 -1', 'C20H24O4', 328.212, 'C', 'np08_926_2', 3820, '', '', '1', 1, NULL, NULL),
(15111, 'Nepetanudone', '', 'Terpenoids', 'Monoterpenoids', 'Iridoids', '[CH3:111][C:104]2=[C:105]1[CH2:106][CH2:107][C@H:108]([CH3:110])[C@@:109]13[C:101](=O)O[C@@H:103]2[C@@:9]45[C:1](=O)O[C@@H:3]3[C:4]([CH3:11])=[C:5]4[CH2:6][CH2:7][C@@H:8]5[CH3:10]', 'CC2=C1CC[C@H](C)[C@@]13C(=O)O[C@@H]2[C@@]45C(=O)O[C@@H]3C(C)=C4CC[C@@H]5C', '[CH3:17][C:143]2=[C:132]1[CH2:27][CH2:31][C@H:41]([CH3:14])[C@@:65]13[C:174](=O)O[C@@H:88]2[C@@:67]45[C:172](=O)O[C@@H:79]3[C:141]([CH3:16])=[C:132]4[CH2:26][CH2:31][C@@H:44]5[CH3:17]', '24 28 C:111 19.01 -13.19 C:11 15.63 -9.54 C:110 21.58 -8.65 C:10 12.96 -14.21 O 19.01 -8.36 O 15.63 -14.50 C:106 21.19 -11.75 C:6 13.34 -10.99 C:107 21.91 -10.74 C:7 12.59 -12.01 O 17.96 -10.18 O 16.74 -12.66 C:104 19.01 -12.01 C:4 15.63 -10.74 C:101 19.01 -9.54 C:1 15.63 -13.29 C:105 20.05 -11.39 C:5 14.54 -11.39 C:108 21.19 -9.79 C:8 13.34 -13.05 C:103 17.96 -11.39 C:3 16.74 -11.39 C:109 20.05 -10.18 C:9 14.54 -12.66 1 13 1 2 14 1 19 3 -1 20 4 -1 5 15 2 6 16 2 7 9 1 7 17 1 8 10 1 8 18 1 9 19 1 10 20 1 11 15 1 11 21 1 12 16 1 12 22 1 13 17 2 13 21 1 14 18 2 14 22 1 23 15 -2 24 16 -1 17 23 1 18 24 1 19 23 1 20 24 1 21 24 -1 22 23 -2', '24 28 C 19.01 -13.19 C 15.63 -9.54 C 21.58 -8.65 C 12.96 -14.21 O 19.01 -8.36 O 15.63 -14.50 C 21.19 -11.75 C 13.34 -10.99 C 21.91 -10.74 C 12.59 -12.01 O 17.96 -10.18 O 16.74 -12.66 C 19.01 -12.01 C 15.63 -10.74 C 19.01 -9.54 C 15.63 -13.29 C 20.05 -11.39 C 14.54 -11.39 C 21.19 -9.79 C 13.34 -13.05 C 17.96 -11.39 C 16.74 -11.39 C 20.05 -10.18 C 14.54 -12.66 1 13 1 2 14 1 19 3 -1 20 4 -1 5 15 2 6 16 2 7 9 1 7 17 1 8 10 1 8 18 1 9 19 1 10 20 1 11 15 1 11 21 1 12 16 1 12 22 1 13 17 2 13 21 1 14 18 2 14 22 1 23 15 -2 24 16 -1 17 23 1 18 24 1 19 23 1 20 24 1 21 24 -1 22 23 -2', '24 28 C:17 19.01 -13.19 C:16 15.63 -9.54 C:14 21.58 -8.65 C:17 12.96 -14.21 O 19.01 -8.36 O 15.63 -14.50 C:27 21.19 -11.75 C:26 13.34 -10.99 C:31 21.91 -10.74 C:31 12.59 -12.01 O 17.96 -10.18 O 16.74 -12.66 C:143 19.01 -12.01 C:141 15.63 -10.74 C:174 19.01 -9.54 C:172 15.63 -13.29 C:132 20.05 -11.39 C:132 14.54 -11.39 C:41 21.19 -9.79 C:44 13.34 -13.05 C:88 17.96 -11.39 C:79 16.74 -11.39 C:65 20.05 -10.18 C:67 14.54 -12.66 1 13 1 2 14 1 19 3 -1 20 4 -1 5 15 2 6 16 2 7 9 1 7 17 1 8 10 1 8 18 1 9 19 1 10 20 1 11 15 1 11 21 1 12 16 1 12 22 1 13 17 2 13 21 1 14 18 2 14 22 1 23 15 -2 24 16 -1 17 23 1 18 24 1 19 23 1 20 24 1 21 24 -1 22 23 -2', 'C20H24O4', 328.212, 'C', 'np08_926_3', 3820, '', '', '1', 1, NULL, NULL),
(15112, '', 'Abieta-8,11,13-trien-18-yl hexadecanoate', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[C:18001](=O)[CH2:18002][CH2:18003][CH2:18004][CH2:18005][CH2:18006][CH2:18007][CH2:18008][CH2:18009][CH2:18010][CH2:18011][CH2:18012][CH2:18013][CH2:18014][CH2:18015][CH3:18016]', '[H][C@@]23CCc1cc(C(C)C)ccc1[C@@]2(C)CCC[C@@]3(C)COC(=O)CCCCCCCCCCCCCCC', '[H][C@@:44]23[CH2:19][CH2:30][c:135]1[cH:127][c:146]([CH:33]([CH3:24])[CH3:24])[cH:124][cH:124][c:147]1[C@@:37]2([CH3:25])[CH2:38][CH2:18][CH2:36][C@@:37]3([CH3:18])[CH2:72]O[C:174](=O)[CH2:34][CH2:25][CH2:30][CH2:30][CH2:30][CH2:30][CH2:30][CH2:30][CH2:29][CH2:29][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14]', '39 41 H 15.40 -4.16 C:18016 18.87 -25.29 C:17 21.56 0.33 C:16 20.32 2.45 C:19 13.13 -4.92 C:20 15.40 -0.39 O 17.02 -7.07 C:12 17.85 1.00 C:11 16.63 0.33 C:14 19.09 -1.10 C:18015 19.30 -23.96 C:18014 18.36 -22.92 C:18013 18.79 -21.58 C:18012 17.85 -20.55 C:18011 18.28 -19.22 C:18010 17.34 -18.18 C:18009 17.76 -16.85 C:18008 16.82 -15.82 C:18007 17.24 -14.48 C:18006 16.29 -13.45 C:18005 16.71 -12.12 C:18004 15.76 -11.09 C:18003 16.18 -9.75 C:2 12.94 -1.83 C:18002 15.24 -8.72 C:7 17.86 -3.25 C:3 12.94 -3.25 C:1 14.16 -1.10 C:6 16.63 -3.95 C:18 15.14 -5.02 O 14.71 -6.35 C:18001 15.66 -7.38 C:13 19.09 0.33 C:8 17.85 -1.83 C:9 16.63 -1.10 C:15 20.32 1.00 C:4 14.16 -3.95 C:10 15.40 -1.83 C:5 15.40 -3.25 39 1 -2 2 11 1 3 36 1 4 36 1 37 5 -1 38 6 -1 7 32 2 8 9 2 8 33 1 9 35 1 10 33 2 10 34 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 25 1 24 27 1 24 28 1 25 32 1 26 29 1 26 34 1 27 37 1 28 38 1 29 39 1 30 31 1 37 30 -2 31 32 1 33 36 1 34 35 2 35 38 1 37 39 1 38 39 1', '39 41 H 15.40 -4.16 C 18.87 -25.29 C 21.56 0.33 C 20.32 2.45 C 13.13 -4.92 C 15.40 -0.39 O 17.02 -7.07 C 17.85 1.00 C 16.63 0.33 C 19.09 -1.10 C 19.30 -23.96 C 18.36 -22.92 C 18.79 -21.58 C 17.85 -20.55 C 18.28 -19.22 C 17.34 -18.18 C 17.76 -16.85 C 16.82 -15.82 C 17.24 -14.48 C 16.29 -13.45 C 16.71 -12.12 C 15.76 -11.09 C 16.18 -9.75 C 12.94 -1.83 C 15.24 -8.72 C 17.86 -3.25 C 12.94 -3.25 C 14.16 -1.10 C 16.63 -3.95 C 15.14 -5.02 O 14.71 -6.35 C 15.66 -7.38 C 19.09 0.33 C 17.85 -1.83 C 16.63 -1.10 C 20.32 1.00 C 14.16 -3.95 C 15.40 -1.83 C 15.40 -3.25 39 1 -2 2 11 1 3 36 1 4 36 1 37 5 -1 38 6 -1 7 32 2 8 9 2 8 33 1 9 35 1 10 33 2 10 34 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 25 1 24 27 1 24 28 1 25 32 1 26 29 1 26 34 1 27 37 1 28 38 1 29 39 1 30 31 1 37 30 -2 31 32 1 33 36 1 34 35 2 35 38 1 37 39 1 38 39 1', '39 41 H 15.40 -4.16 C:14 18.87 -25.29 C:24 21.56 0.33 C:24 20.32 2.45 C:18 13.13 -4.92 C:25 15.40 -0.39 O 17.02 -7.07 C:124 17.85 1.00 C:124 16.63 0.33 C:127 19.09 -1.10 C:23 19.30 -23.96 C:32 18.36 -22.92 C:29 18.79 -21.58 C:29 17.85 -20.55 C:29 18.28 -19.22 C:29 17.34 -18.18 C:30 17.76 -16.85 C:30 16.82 -15.82 C:30 17.24 -14.48 C:30 16.29 -13.45 C:30 16.71 -12.12 C:30 15.76 -11.09 C:25 16.18 -9.75 C:18 12.94 -1.83 C:34 15.24 -8.72 C:30 17.86 -3.25 C:36 12.94 -3.25 C:38 14.16 -1.10 C:19 16.63 -3.95 C:72 15.14 -5.02 O 14.71 -6.35 C:174 15.66 -7.38 C:146 19.09 0.33 C:135 17.85 -1.83 C:147 16.63 -1.10 C:33 20.32 1.00 C:37 14.16 -3.95 C:37 15.40 -1.83 C:44 15.40 -3.25 39 1 -2 2 11 1 3 36 1 4 36 1 37 5 -1 38 6 -1 7 32 2 8 9 2 8 33 1 9 35 1 10 33 2 10 34 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 25 1 24 27 1 24 28 1 25 32 1 26 29 1 26 34 1 27 37 1 28 38 1 29 39 1 30 31 1 37 30 -2 31 32 1 33 36 1 34 35 2 35 38 1 37 39 1 38 39 1', 'C36H60O2', 524.392, 'C', 'ph08_498_1', 3821, '', '', '1', 1, NULL, NULL),
(15113, '', '7-Oxo-abieta-8,11,13-trien-18-yl hexadecanoate', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[C:18001](=O)[CH2:18002][CH2:18003][CH2:18004][CH2:18005][CH2:18006][CH2:18007][CH2:18008][CH2:18009][CH2:18010][CH2:18011][CH2:18012][CH2:18013][CH2:18014][CH2:18015][CH3:18016]', '[H][C@@]23CC(=O)c1cc(C(C)C)ccc1[C@@]2(C)CCC[C@@]3(C)COC(=O)CCCCCCCCCCCCCCC', '[H][C@@:43]23[CH2:36][C:199](=O)[c:131]1[cH:125][c:147]([CH:34]([CH3:24])[CH3:24])[cH:133][cH:124][c:153]1[C@@:38]2([CH3:24])[CH2:37][CH2:18][CH2:35][C@@:37]3([CH3:17])[CH2:71]O[C:174](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:27][CH2:27][CH2:27][CH2:27][CH2:27][CH2:32][CH2:23][CH3:14]', '40 42 H 15.41 -4.16 C:18016 18.88 -25.30 C:17 21.57 0.33 C:16 20.33 2.45 C:19 13.13 -4.92 C:20 15.41 -0.39 O 17.03 -7.07 O 19.08 -3.95 C:12 17.86 1.00 C:11 16.64 0.33 C:14 19.08 -1.10 C:18015 19.31 -23.97 C:18014 18.37 -22.93 C:18013 18.80 -21.59 C:18012 17.86 -20.56 C:18011 18.29 -19.23 C:18010 17.35 -18.19 C:18009 17.77 -16.86 C:18008 16.83 -15.83 C:18007 17.25 -14.49 C:18006 16.30 -13.45 C:18005 16.72 -12.12 C:18004 15.77 -11.09 C:18003 16.19 -9.75 C:2 12.94 -1.83 C:18002 15.25 -8.72 C:3 12.94 -3.25 C:1 14.17 -1.10 C:18 15.15 -5.02 C:6 16.64 -3.95 O 14.72 -6.35 C:18001 15.67 -7.38 C:7 17.87 -3.25 C:13 19.08 0.33 C:8 17.86 -1.83 C:9 16.64 -1.10 C:15 20.33 1.00 C:4 14.17 -3.95 C:10 15.41 -1.83 C:5 15.41 -3.25 40 1 -2 2 12 1 3 37 1 4 37 1 38 5 -1 39 6 -1 7 32 2 8 33 2 9 10 2 9 34 1 10 36 1 11 34 2 11 35 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 26 1 25 27 1 25 28 1 26 32 1 27 38 1 28 39 1 29 31 1 38 29 -2 30 33 1 30 40 1 31 32 1 33 35 1 34 37 1 35 36 2 36 39 1 38 40 1 39 40 1', '40 42 H 15.41 -4.16 C 18.88 -25.30 C 21.57 0.33 C 20.33 2.45 C 13.13 -4.92 C 15.41 -0.39 O 17.03 -7.07 O 19.08 -3.95 C 17.86 1.00 C 16.64 0.33 C 19.08 -1.10 C 19.31 -23.97 C 18.37 -22.93 C 18.80 -21.59 C 17.86 -20.56 C 18.29 -19.23 C 17.35 -18.19 C 17.77 -16.86 C 16.83 -15.83 C 17.25 -14.49 C 16.30 -13.45 C 16.72 -12.12 C 15.77 -11.09 C 16.19 -9.75 C 12.94 -1.83 C 15.25 -8.72 C 12.94 -3.25 C 14.17 -1.10 C 15.15 -5.02 C 16.64 -3.95 O 14.72 -6.35 C 15.67 -7.38 C 17.87 -3.25 C 19.08 0.33 C 17.86 -1.83 C 16.64 -1.10 C 20.33 1.00 C 14.17 -3.95 C 15.41 -1.83 C 15.41 -3.25 40 1 -2 2 12 1 3 37 1 4 37 1 38 5 -1 39 6 -1 7 32 2 8 33 2 9 10 2 9 34 1 10 36 1 11 34 2 11 35 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 26 1 25 27 1 25 28 1 26 32 1 27 38 1 28 39 1 29 31 1 38 29 -2 30 33 1 30 40 1 31 32 1 33 35 1 34 37 1 35 36 2 36 39 1 38 40 1 39 40 1', '40 42 H 15.41 -4.16 C:14 18.88 -25.30 C:24 21.57 0.33 C:24 20.33 2.45 C:17 13.13 -4.92 C:24 15.41 -0.39 O 17.03 -7.07 O 19.08 -3.95 C:133 17.86 1.00 C:124 16.64 0.33 C:125 19.08 -1.10 C:23 19.31 -23.97 C:32 18.37 -22.93 C:27 18.80 -21.59 C:27 17.86 -20.56 C:27 18.29 -19.23 C:27 17.35 -18.19 C:27 17.77 -16.86 C:29 16.83 -15.83 C:29 17.25 -14.49 C:29 16.30 -13.45 C:29 16.72 -12.12 C:29 15.77 -11.09 C:25 16.19 -9.75 C:18 12.94 -1.83 C:34 15.25 -8.72 C:35 12.94 -3.25 C:37 14.17 -1.10 C:71 15.15 -5.02 C:36 16.64 -3.95 O 14.72 -6.35 C:174 15.67 -7.38 C:199 17.87 -3.25 C:147 19.08 0.33 C:131 17.86 -1.83 C:153 16.64 -1.10 C:34 20.33 1.00 C:37 14.17 -3.95 C:38 15.41 -1.83 C:43 15.41 -3.25 40 1 -2 2 12 1 3 37 1 4 37 1 38 5 -1 39 6 -1 7 32 2 8 33 2 9 10 2 9 34 1 10 36 1 11 34 2 11 35 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 26 1 25 27 1 25 28 1 26 32 1 27 38 1 28 39 1 29 31 1 38 29 -2 30 33 1 30 40 1 31 32 1 33 35 1 34 37 1 35 36 2 36 39 1 38 40 1 39 40 1', 'C36H58O3', 538.391, 'C', 'ph08_498_2', 3821, '', '', '1', 1, NULL, NULL),
(15114, '', '3β-Hydroxy-abieta-8,11,13-trien-7-one', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CC(=O)c1cc(C(C)C)ccc1[C@@]2(C)CC[C@H](O)[C@@]3(C)C', '[H][C@@:49]23[CH2:36][C:200](=O)[c:130]1[cH:125][c:147]([CH:34]([CH3:24])[CH3:24])[cH:133][cH:124][c:153]1[C@@:38]2([CH3:23])[CH2:36][CH2:28][C@H:78](O)[C@@:39]3([CH3:15])[CH3:28]', '23 25 H 16.01 -14.29 C:16 20.94 -7.69 C:17 22.18 -9.82 C:19 13.73 -15.05 C:18 15.75 -15.15 C:20 16.01 -10.53 O 19.69 -14.09 O 12.34 -14.09 C:12 18.48 -9.15 C:11 17.25 -9.82 C:14 19.69 -11.24 C:2 13.54 -11.97 C:1 14.77 -11.24 C:6 17.25 -14.09 C:7 18.48 -13.38 C:13 19.69 -9.82 C:8 18.48 -11.97 C:9 17.25 -11.24 C:15 20.94 -9.15 C:3 13.54 -13.38 C:4 14.77 -14.09 C:10 16.01 -11.97 C:5 16.01 -13.38 23 1 -2 2 19 1 3 19 1 21 4 -1 21 5 -2 22 6 -1 7 15 2 20 8 -1 9 10 2 9 16 1 10 18 1 11 16 2 11 17 1 12 13 1 12 20 1 13 22 1 14 15 1 14 23 1 15 17 1 16 19 1 17 18 2 18 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 16.01 -14.29 C 20.94 -7.69 C 22.18 -9.82 C 13.73 -15.05 C 15.75 -15.15 C 16.01 -10.53 O 19.69 -14.09 O 12.34 -14.09 C 18.48 -9.15 C 17.25 -9.82 C 19.69 -11.24 C 13.54 -11.97 C 14.77 -11.24 C 17.25 -14.09 C 18.48 -13.38 C 19.69 -9.82 C 18.48 -11.97 C 17.25 -11.24 C 20.94 -9.15 C 13.54 -13.38 C 14.77 -14.09 C 16.01 -11.97 C 16.01 -13.38 23 1 -2 2 19 1 3 19 1 21 4 -1 21 5 -2 22 6 -1 7 15 2 20 8 -1 9 10 2 9 16 1 10 18 1 11 16 2 11 17 1 12 13 1 12 20 1 13 22 1 14 15 1 14 23 1 15 17 1 16 19 1 17 18 2 18 22 1 20 21 1 21 23 1 22 23 1', '23 25 H 16.01 -14.29 C:24 20.94 -7.69 C:24 22.18 -9.82 C:15 13.73 -15.05 C:28 15.75 -15.15 C:23 16.01 -10.53 O 19.69 -14.09 O 12.34 -14.09 C:133 18.48 -9.15 C:124 17.25 -9.82 C:125 19.69 -11.24 C:28 13.54 -11.97 C:36 14.77 -11.24 C:36 17.25 -14.09 C:200 18.48 -13.38 C:147 19.69 -9.82 C:130 18.48 -11.97 C:153 17.25 -11.24 C:34 20.94 -9.15 C:78 13.54 -13.38 C:39 14.77 -14.09 C:38 16.01 -11.97 C:49 16.01 -13.38 23 1 -2 2 19 1 3 19 1 21 4 -1 21 5 -2 22 6 -1 7 15 2 20 8 -1 9 10 2 9 16 1 10 18 1 11 16 2 11 17 1 12 13 1 12 20 1 13 22 1 14 15 1 14 23 1 15 17 1 16 19 1 17 18 2 18 22 1 20 21 1 21 23 1 22 23 1', 'C20H28O2', 300.221, 'C', 'ph08_498_3', 3821, '', '', '1', 1, NULL, NULL),
(15115, '', 'Sandaracopimara-8(14),15-dien-18-yl formate', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([CH2:18]O[CH:18001]=O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]3([H])[C@](C)(COC=O)CCC[C@]23C', '[H][C@:51]12[CH2:19][CH2:35][C@:37]([CH3:26])([CH:149]=[CH2:110])[CH:129]=[C:137]1[CH2:36][CH2:23][C@@:48]3([H])[C@:37]([CH3:18])([CH2:72]O[CH:161]=O)[CH2:36][CH2:18][CH2:39][C@:38]23[CH3:16]', '25 27 H 16.66 -9.94 H 15.42 -12.07 C:16 21.56 -6.79 C:17 19.99 -6.32 C:19 13.11 -12.81 C:20 15.42 -8.23 O 15.28 -16.54 C:15 20.54 -7.86 C:18001 15.67 -15.23 C:14 19.15 -8.96 C:2 12.92 -9.69 C:7 17.91 -11.12 C:3 12.92 -11.12 C:1 14.15 -8.96 C:6 16.66 -11.84 C:12 17.91 -6.79 C:11 16.66 -7.51 C:18 15.13 -12.90 O 14.72 -14.22 C:8 17.91 -9.69 C:13 19.15 -7.51 C:9 16.66 -8.96 C:5 15.42 -11.12 C:4 14.15 -11.84 C:10 15.42 -9.69 22 1 -2 23 2 -2 3 8 2 21 4 -1 24 5 -1 25 6 -1 7 9 2 21 8 -2 9 19 1 10 20 2 10 21 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 25 1 15 23 1 16 17 1 16 21 1 17 22 1 18 19 1 24 18 -2 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.66 -9.94 H 15.42 -12.07 C 21.56 -6.79 C 19.99 -6.32 C 13.11 -12.81 C 15.42 -8.23 O 15.28 -16.54 C 20.54 -7.86 C 15.67 -15.23 C 19.15 -8.96 C 12.92 -9.69 C 17.91 -11.12 C 12.92 -11.12 C 14.15 -8.96 C 16.66 -11.84 C 17.91 -6.79 C 16.66 -7.51 C 15.13 -12.90 O 14.72 -14.22 C 17.91 -9.69 C 19.15 -7.51 C 16.66 -8.96 C 15.42 -11.12 C 14.15 -11.84 C 15.42 -9.69 22 1 -2 23 2 -2 3 8 2 21 4 -1 24 5 -1 25 6 -1 7 9 2 21 8 -2 9 19 1 10 20 2 10 21 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 25 1 15 23 1 16 17 1 16 21 1 17 22 1 18 19 1 24 18 -2 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.66 -9.94 H 15.42 -12.07 C:110 21.56 -6.79 C:26 19.99 -6.32 C:18 13.11 -12.81 C:16 15.42 -8.23 O 15.28 -16.54 C:149 20.54 -7.86 C:161 15.67 -15.23 C:129 19.15 -8.96 C:18 12.92 -9.69 C:36 17.91 -11.12 C:36 12.92 -11.12 C:39 14.15 -8.96 C:23 16.66 -11.84 C:35 17.91 -6.79 C:19 16.66 -7.51 C:72 15.13 -12.90 O 14.72 -14.22 C:137 17.91 -9.69 C:37 19.15 -7.51 C:51 16.66 -8.96 C:48 15.42 -11.12 C:37 14.15 -11.84 C:38 15.42 -9.69 22 1 -2 23 2 -2 3 8 2 21 4 -1 24 5 -1 25 6 -1 7 9 2 21 8 -2 9 19 1 10 20 2 10 21 1 11 13 1 11 14 1 12 15 1 12 20 1 13 24 1 14 25 1 15 23 1 16 17 1 16 21 1 17 22 1 18 19 1 24 18 -2 20 22 1 22 25 1 23 24 1 23 25 1', 'C21H32O2', 316.239, 'C', 'ph08_498_4', 3821, '', '', '1', 1, NULL, NULL),
(15116, '', 'Sandaracopimara-8(14),15-dien-18-yl hexadecanoate', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([CH2:18]O[C:18001](=O)[CH2:18002][CH2:18003][CH2:18004][CH2:18005][CH2:18006][CH2:18007][CH2:18008][CH2:18009][CH2:18010][CH2:18011][CH2:18012][CH2:18013][CH2:18014][CH2:18015][CH3:18016])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]3([H])[C@](C)(COC(=O)CCCCCCCCCCCCCCC)CCC[C@]23C', '[H][C@:51]12[CH2:19][CH2:35][C@:37]([CH3:26])([CH:149]=[CH2:110])[CH:129]=[C:137]1[CH2:36][CH2:23][C@@:49]3([H])[C@:37]([CH3:18])([CH2:73]O[C:174](=O)[CH2:35][CH2:25][CH2:30][CH2:30][CH2:30][CH2:30][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[CH2:36][CH2:18][CH2:39][C@:38]23[CH3:16]', '40 42 H 16.66 -1.64 H 15.41 -3.77 C:16 21.55 1.51 C:18016 19.14 -24.79 C:17 19.98 1.98 C:19 13.10 -4.51 C:20 15.41 0.07 O 17.02 -6.59 C:15 20.53 0.44 C:14 19.14 -0.66 C:18015 19.55 -23.46 C:18014 18.60 -22.44 C:18013 19.00 -21.09 C:18012 18.04 -20.06 C:18011 18.44 -18.72 C:18010 17.48 -17.69 C:18009 17.88 -16.35 C:18008 16.92 -15.33 C:18007 17.32 -13.99 C:18006 16.36 -12.97 C:18005 16.77 -11.64 C:18004 15.81 -10.62 C:18003 16.21 -9.28 C:2 12.91 -1.39 C:18002 15.25 -8.26 C:7 17.88 -2.82 C:3 12.91 -2.82 C:1 14.14 -0.66 C:12 17.88 1.51 C:6 16.66 -3.54 C:11 16.66 0.79 C:18 15.12 -4.60 O 14.71 -5.91 C:18001 15.66 -6.92 C:8 17.88 -1.39 C:13 19.14 0.79 C:9 16.66 -0.66 C:5 15.41 -2.82 C:4 14.14 -3.54 C:10 15.41 -1.39 37 1 -2 38 2 -2 3 9 2 4 11 1 36 5 -1 39 6 -1 40 7 -1 8 34 2 36 9 -2 10 35 2 10 36 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 25 1 24 27 1 24 28 1 25 34 1 26 30 1 26 35 1 27 39 1 28 40 1 29 31 1 29 36 1 30 38 1 31 37 1 32 33 1 39 32 -2 33 34 1 35 37 1 37 40 1 38 39 1 38 40 1', '40 42 H 16.66 -1.64 H 15.41 -3.77 C 21.55 1.51 C 19.14 -24.79 C 19.98 1.98 C 13.10 -4.51 C 15.41 0.07 O 17.02 -6.59 C 20.53 0.44 C 19.14 -0.66 C 19.55 -23.46 C 18.60 -22.44 C 19.00 -21.09 C 18.04 -20.06 C 18.44 -18.72 C 17.48 -17.69 C 17.88 -16.35 C 16.92 -15.33 C 17.32 -13.99 C 16.36 -12.97 C 16.77 -11.64 C 15.81 -10.62 C 16.21 -9.28 C 12.91 -1.39 C 15.25 -8.26 C 17.88 -2.82 C 12.91 -2.82 C 14.14 -0.66 C 17.88 1.51 C 16.66 -3.54 C 16.66 0.79 C 15.12 -4.60 O 14.71 -5.91 C 15.66 -6.92 C 17.88 -1.39 C 19.14 0.79 C 16.66 -0.66 C 15.41 -2.82 C 14.14 -3.54 C 15.41 -1.39 37 1 -2 38 2 -2 3 9 2 4 11 1 36 5 -1 39 6 -1 40 7 -1 8 34 2 36 9 -2 10 35 2 10 36 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 25 1 24 27 1 24 28 1 25 34 1 26 30 1 26 35 1 27 39 1 28 40 1 29 31 1 29 36 1 30 38 1 31 37 1 32 33 1 39 32 -2 33 34 1 35 37 1 37 40 1 38 39 1 38 40 1', '40 42 H 16.66 -1.64 H 15.41 -3.77 C:110 21.55 1.51 C:14 19.14 -24.79 C:26 19.98 1.98 C:18 13.10 -4.51 C:16 15.41 0.07 O 17.02 -6.59 C:149 20.53 0.44 C:129 19.14 -0.66 C:23 19.55 -23.46 C:32 18.60 -22.44 C:29 19.00 -21.09 C:29 18.04 -20.06 C:29 18.44 -18.72 C:29 17.48 -17.69 C:29 17.88 -16.35 C:29 16.92 -15.33 C:30 17.32 -13.99 C:30 16.36 -12.97 C:30 16.77 -11.64 C:30 15.81 -10.62 C:25 16.21 -9.28 C:18 12.91 -1.39 C:35 15.25 -8.26 C:36 17.88 -2.82 C:36 12.91 -2.82 C:39 14.14 -0.66 C:35 17.88 1.51 C:23 16.66 -3.54 C:19 16.66 0.79 C:73 15.12 -4.60 O 14.71 -5.91 C:174 15.66 -6.92 C:137 17.88 -1.39 C:37 19.14 0.79 C:51 16.66 -0.66 C:49 15.41 -2.82 C:37 14.14 -3.54 C:38 15.41 -1.39 37 1 -2 38 2 -2 3 9 2 4 11 1 36 5 -1 39 6 -1 40 7 -1 8 34 2 36 9 -2 10 35 2 10 36 1 11 12 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 25 1 24 27 1 24 28 1 25 34 1 26 30 1 26 35 1 27 39 1 28 40 1 29 31 1 29 36 1 30 38 1 31 37 1 32 33 1 39 32 -2 33 34 1 35 37 1 37 40 1 38 39 1 38 40 1', 'C36H62O2', 526.4, 'C', 'ph08_498_5', 3821, '', '', '1', 1, NULL, NULL),
(15117, '', '18-Hydroxy-sandaracopimara-8(14),15-dien-7-one', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[C:7](=O)[CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([CH2:18]O)[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)C=C1C(=O)C[C@@]3([H])[C@](C)(CO)CCC[C@]23C', '[H][C@:51]12[CH2:19][CH2:34][C@:39]([CH3:26])([CH:146]=[CH2:112])[CH:145]=[C:135]1[C:201](=O)[CH2:37][C@@:43]3([H])[C@:36]([CH3:17])([CH2:71]O)[CH2:35][CH2:18][CH2:38][C@:38]23[CH3:14]', '24 26 H 16.65 -11.09 H 15.40 -13.22 C:16 21.55 -7.95 C:17 19.98 -7.49 C:19 13.09 -13.96 C:20 15.40 -9.39 O 19.09 -12.99 O 14.70 -15.36 C:15 20.53 -9.02 C:14 19.14 -10.11 C:18 15.11 -14.05 C:2 12.90 -10.84 C:12 17.88 -7.95 C:3 12.90 -12.27 C:11 16.65 -8.67 C:1 14.13 -10.11 C:6 16.65 -12.99 C:7 17.88 -12.27 C:8 17.88 -10.84 C:13 19.14 -8.67 C:9 16.65 -10.11 C:5 15.40 -12.27 C:4 14.13 -12.99 C:10 15.40 -10.84 21 1 -2 22 2 -2 3 9 2 20 4 -1 23 5 -1 24 6 -1 7 18 2 8 11 1 20 9 -2 10 19 2 10 20 1 23 11 -2 12 14 1 12 16 1 13 15 1 13 20 1 14 23 1 15 21 1 16 24 1 17 18 1 17 22 1 18 19 1 19 21 1 21 24 1 22 23 1 22 24 1', '24 26 H 16.65 -11.09 H 15.40 -13.22 C 21.55 -7.95 C 19.98 -7.49 C 13.09 -13.96 C 15.40 -9.39 O 19.09 -12.99 O 14.70 -15.36 C 20.53 -9.02 C 19.14 -10.11 C 15.11 -14.05 C 12.90 -10.84 C 17.88 -7.95 C 12.90 -12.27 C 16.65 -8.67 C 14.13 -10.11 C 16.65 -12.99 C 17.88 -12.27 C 17.88 -10.84 C 19.14 -8.67 C 16.65 -10.11 C 15.40 -12.27 C 14.13 -12.99 C 15.40 -10.84 21 1 -2 22 2 -2 3 9 2 20 4 -1 23 5 -1 24 6 -1 7 18 2 8 11 1 20 9 -2 10 19 2 10 20 1 23 11 -2 12 14 1 12 16 1 13 15 1 13 20 1 14 23 1 15 21 1 16 24 1 17 18 1 17 22 1 18 19 1 19 21 1 21 24 1 22 23 1 22 24 1', '24 26 H 16.65 -11.09 H 15.40 -13.22 C:112 21.55 -7.95 C:26 19.98 -7.49 C:17 13.09 -13.96 C:14 15.40 -9.39 O 19.09 -12.99 O 14.70 -15.36 C:146 20.53 -9.02 C:145 19.14 -10.11 C:71 15.11 -14.05 C:18 12.90 -10.84 C:34 17.88 -7.95 C:35 12.90 -12.27 C:19 16.65 -8.67 C:38 14.13 -10.11 C:37 16.65 -12.99 C:201 17.88 -12.27 C:135 17.88 -10.84 C:39 19.14 -8.67 C:51 16.65 -10.11 C:43 15.40 -12.27 C:36 14.13 -12.99 C:38 15.40 -10.84 21 1 -2 22 2 -2 3 9 2 20 4 -1 23 5 -1 24 6 -1 7 18 2 8 11 1 20 9 -2 10 19 2 10 20 1 23 11 -2 12 14 1 12 16 1 13 15 1 13 20 1 14 23 1 15 21 1 16 24 1 17 18 1 17 22 1 18 19 1 19 21 1 21 24 1 22 23 1 22 24 1', 'C20H30O2', 302.229, 'C', 'ph08_498_6', 3821, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15118, '', 'Abieta-8,11,13-trien-18-yl formate', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH2:18]O[CH:18001]=O', '[H][C@@]23CCc1cc(C(C)C)ccc1[C@@]2(C)CCC[C@@]3(C)COC=O', '[H][C@@:44]23[CH2:19][CH2:30][c:135]1[cH:127][c:146]([CH:33]([CH3:24])[CH3:24])[cH:124][cH:124][c:147]1[C@@:37]2([CH3:25])[CH2:38][CH2:19][CH2:35][C@@:37]3([CH3:17])[CH2:72]O[CH:161]=O', '24 26 H 15.39 -12.44 C:17 21.56 -7.97 C:16 20.32 -5.84 C:19 13.11 -13.20 C:20 15.39 -8.68 O 15.25 -17.00 C:18001 15.67 -15.66 C:12 17.86 -7.30 C:11 16.63 -7.97 C:14 19.07 -9.39 C:2 12.92 -10.12 C:7 17.86 -11.53 C:3 12.92 -11.53 C:1 14.15 -9.39 C:6 16.63 -12.24 C:18 15.13 -13.30 O 14.72 -14.64 C:8 17.86 -10.12 C:13 19.07 -7.97 C:9 16.63 -9.39 C:15 20.32 -7.30 C:4 14.15 -12.24 C:10 15.39 -10.12 C:5 15.39 -11.53 24 1 -2 2 21 1 3 21 1 22 4 -1 23 5 -1 6 7 2 7 17 1 8 9 2 8 19 1 9 20 1 10 18 1 10 19 2 11 13 1 11 14 1 12 15 1 12 18 1 13 22 1 14 23 1 15 24 1 16 17 1 22 16 -2 18 20 2 19 21 1 20 23 1 22 24 1 23 24 1', '24 26 H 15.39 -12.44 C 21.56 -7.97 C 20.32 -5.84 C 13.11 -13.20 C 15.39 -8.68 O 15.25 -17.00 C 15.67 -15.66 C 17.86 -7.30 C 16.63 -7.97 C 19.07 -9.39 C 12.92 -10.12 C 17.86 -11.53 C 12.92 -11.53 C 14.15 -9.39 C 16.63 -12.24 C 15.13 -13.30 O 14.72 -14.64 C 17.86 -10.12 C 19.07 -7.97 C 16.63 -9.39 C 20.32 -7.30 C 14.15 -12.24 C 15.39 -10.12 C 15.39 -11.53 24 1 -2 2 21 1 3 21 1 22 4 -1 23 5 -1 6 7 2 7 17 1 8 9 2 8 19 1 9 20 1 10 18 1 10 19 2 11 13 1 11 14 1 12 15 1 12 18 1 13 22 1 14 23 1 15 24 1 16 17 1 22 16 -2 18 20 2 19 21 1 20 23 1 22 24 1 23 24 1', '24 26 H 15.39 -12.44 C:24 21.56 -7.97 C:24 20.32 -5.84 C:17 13.11 -13.20 C:25 15.39 -8.68 O 15.25 -17.00 C:161 15.67 -15.66 C:124 17.86 -7.30 C:124 16.63 -7.97 C:127 19.07 -9.39 C:19 12.92 -10.12 C:30 17.86 -11.53 C:35 12.92 -11.53 C:38 14.15 -9.39 C:19 16.63 -12.24 C:72 15.13 -13.30 O 14.72 -14.64 C:135 17.86 -10.12 C:146 19.07 -7.97 C:147 16.63 -9.39 C:33 20.32 -7.30 C:37 14.15 -12.24 C:37 15.39 -10.12 C:44 15.39 -11.53 24 1 -2 2 21 1 3 21 1 22 4 -1 23 5 -1 6 7 2 7 17 1 8 9 2 8 19 1 9 20 1 10 18 1 10 19 2 11 13 1 11 14 1 12 15 1 12 18 1 13 22 1 14 23 1 15 24 1 16 17 1 22 16 -2 18 20 2 19 21 1 20 23 1 22 24 1 23 24 1', 'C21H30O2', 314.231, 'C', 'ph08_498_7', 3821, '', '', '1', 1, NULL, NULL),
(15119, '', '2α,19-Dihydroxy-9-epi-ent-pimara-7,15-dien', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C:8]1=[CH:7][CH2:6][C@:5]3([H])[C@:4]([CH3:18])([CH2:19]O)[CH2:3][C@H:2](O)[CH2:1][C@@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)CC1=CC[C@]3([H])[C@](C)(CO)C[C@H](O)C[C@@]23C', '[H][C@:53]12[CH2:23][CH2:38][C@:37]([CH3:22])([CH:150]=[CH2:109])[CH2:48][C:137]1=[CH:120][CH2:25][C@:44]3([H])[C@:39]([CH3:27])([CH2:66]O)[CH2:46][C@H:65](O)[CH2:45][C@@:40]23[CH3:24]', '24 26 H 17.29 -11.13 H 16.02 -13.28 C:16 22.20 -8.04 C:17 20.63 -7.52 C:18 15.74 -14.11 C:20 16.02 -9.41 O 14.01 -15.37 O 12.31 -10.21 C:15 21.18 -9.05 C:7 18.54 -12.32 C:19 13.72 -14.02 C:6 17.29 -13.05 C:12 18.54 -7.98 C:11 17.29 -8.69 C:14 19.78 -10.16 C:3 13.52 -12.32 C:1 14.76 -10.21 C:8 18.54 -10.89 C:2 13.52 -10.89 C:13 19.78 -8.69 C:9 17.29 -10.21 C:5 16.02 -12.32 C:4 14.76 -13.05 C:10 16.02 -10.89 21 1 -2 22 2 -1 3 9 2 20 4 -1 23 5 -1 24 6 -2 7 11 1 19 8 -2 20 9 -2 10 12 1 10 18 2 23 11 -2 12 22 1 13 14 1 13 20 1 14 21 1 15 18 1 15 20 1 16 19 1 16 23 1 17 19 1 17 24 1 18 21 1 21 24 1 22 23 1 22 24 1', '24 26 H 17.29 -11.13 H 16.02 -13.28 C 22.20 -8.04 C 20.63 -7.52 C 15.74 -14.11 C 16.02 -9.41 O 14.01 -15.37 O 12.31 -10.21 C 21.18 -9.05 C 18.54 -12.32 C 13.72 -14.02 C 17.29 -13.05 C 18.54 -7.98 C 17.29 -8.69 C 19.78 -10.16 C 13.52 -12.32 C 14.76 -10.21 C 18.54 -10.89 C 13.52 -10.89 C 19.78 -8.69 C 17.29 -10.21 C 16.02 -12.32 C 14.76 -13.05 C 16.02 -10.89 21 1 -2 22 2 -1 3 9 2 20 4 -1 23 5 -1 24 6 -2 7 11 1 19 8 -2 20 9 -2 10 12 1 10 18 2 23 11 -2 12 22 1 13 14 1 13 20 1 14 21 1 15 18 1 15 20 1 16 19 1 16 23 1 17 19 1 17 24 1 18 21 1 21 24 1 22 23 1 22 24 1', '24 26 H 17.29 -11.13 H 16.02 -13.28 C:109 22.20 -8.04 C:22 20.63 -7.52 C:27 15.74 -14.11 C:24 16.02 -9.41 O 14.01 -15.37 O 12.31 -10.21 C:150 21.18 -9.05 C:120 18.54 -12.32 C:66 13.72 -14.02 C:25 17.29 -13.05 C:38 18.54 -7.98 C:23 17.29 -8.69 C:48 19.78 -10.16 C:46 13.52 -12.32 C:45 14.76 -10.21 C:137 18.54 -10.89 C:65 13.52 -10.89 C:37 19.78 -8.69 C:53 17.29 -10.21 C:44 16.02 -12.32 C:39 14.76 -13.05 C:40 16.02 -10.89 21 1 -2 22 2 -1 3 9 2 20 4 -1 23 5 -1 24 6 -2 7 11 1 19 8 -2 20 9 -2 10 12 1 10 18 2 23 11 -2 12 22 1 13 14 1 13 20 1 14 21 1 15 18 1 15 20 1 16 19 1 16 23 1 17 19 1 17 24 1 18 21 1 21 24 1 22 23 1 22 24 1', 'C20H32O2', 304.229, 'C', 'ph47_211_1', 3822, '', '', '1', 47, NULL, NULL),
(15120, '', '2α,19-Diacetoxy-9-epi-ent-pimara-7,15-dien', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C:8]1=[CH:7][CH2:6][C@:5]3([H])[C@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)CC1=CC[C@]3([H])[C@](C)(COC(C)=O)C[C@H](OC(C)=O)C[C@@]23C', '[H][C@:53]12[CH2:23][CH2:38][C@:37]([CH3:21])([CH:150]=[CH2:109])[CH2:48][C:137]1=[CH:119][CH2:25][C@:44]3([H])[C@:39]([CH3:28])([CH2:67]O[C:9999]([CH3:9999])=O)[CH2:42][C@H:68](O[C:9999]([CH3:9999])=O)[CH2:41][C@@:38]23[CH3:24]', '30 32 H 17.93 -9.93 H 16.66 -12.08 C:16 22.82 -6.92 C:19002 13.89 -16.47 C:2002 11.72 -6.92 C:17 21.25 -6.33 C:18 16.37 -12.90 C:20 16.66 -8.22 O 12.27 -14.67 O 14.15 -6.92 C:15 21.80 -7.86 C:7 19.18 -11.12 C:6 17.93 -11.84 C:12 19.18 -6.79 C:11 17.93 -7.50 C:19 14.35 -12.81 C:14 20.41 -8.95 C:3 14.15 -11.12 C:1 15.39 -8.95 O 14.64 -14.16 O 12.95 -9.00 C:19001 13.60 -15.10 C:2001 12.95 -7.61 C:8 19.18 -9.69 C:2 14.15 -9.69 C:13 20.41 -7.50 C:9 17.93 -8.95 C:5 16.66 -11.12 C:4 15.39 -11.84 C:10 16.66 -9.69 27 1 -2 28 2 -1 3 11 2 4 22 1 5 23 1 26 6 -1 29 7 -1 30 8 -2 9 22 2 10 23 2 26 11 -2 12 13 1 12 24 2 13 28 1 14 15 1 14 26 1 15 27 1 16 20 1 29 16 -2 17 24 1 17 26 1 18 25 1 18 29 1 19 25 1 19 30 1 20 22 1 21 23 1 25 21 -2 24 27 1 27 30 1 28 29 1 28 30 1', '30 32 H 17.93 -9.93 H 16.66 -12.08 C 22.82 -6.92 C 13.89 -16.47 C 11.72 -6.92 C 21.25 -6.33 C 16.37 -12.90 C 16.66 -8.22 O 12.27 -14.67 O 14.15 -6.92 C 21.80 -7.86 C 19.18 -11.12 C 17.93 -11.84 C 19.18 -6.79 C 17.93 -7.50 C 14.35 -12.81 C 20.41 -8.95 C 14.15 -11.12 C 15.39 -8.95 O 14.64 -14.16 O 12.95 -9.00 C 13.60 -15.10 C 12.95 -7.61 C 19.18 -9.69 C 14.15 -9.69 C 20.41 -7.50 C 17.93 -8.95 C 16.66 -11.12 C 15.39 -11.84 C 16.66 -9.69 27 1 -2 28 2 -1 3 11 2 4 22 1 5 23 1 26 6 -1 29 7 -1 30 8 -2 9 22 2 10 23 2 26 11 -2 12 13 1 12 24 2 13 28 1 14 15 1 14 26 1 15 27 1 16 20 1 29 16 -2 17 24 1 17 26 1 18 25 1 18 29 1 19 25 1 19 30 1 20 22 1 21 23 1 25 21 -2 24 27 1 27 30 1 28 29 1 28 30 1', '30 32 H 17.93 -9.93 H 16.66 -12.08 C:109 22.82 -6.92 C 13.89 -16.47 C 11.72 -6.92 C:21 21.25 -6.33 C:28 16.37 -12.90 C:24 16.66 -8.22 O 12.27 -14.67 O 14.15 -6.92 C:150 21.80 -7.86 C:119 19.18 -11.12 C:25 17.93 -11.84 C:38 19.18 -6.79 C:23 17.93 -7.50 C:67 14.35 -12.81 C:48 20.41 -8.95 C:42 14.15 -11.12 C:41 15.39 -8.95 O 14.64 -14.16 O 12.95 -9.00 C 13.60 -15.10 C 12.95 -7.61 C:137 19.18 -9.69 C:68 14.15 -9.69 C:37 20.41 -7.50 C:53 17.93 -8.95 C:44 16.66 -11.12 C:39 15.39 -11.84 C:38 16.66 -9.69 27 1 -2 28 2 -1 3 11 2 4 22 1 5 23 1 26 6 -1 29 7 -1 30 8 -2 9 22 2 10 23 2 26 11 -2 12 13 1 12 24 2 13 28 1 14 15 1 14 26 1 15 27 1 16 20 1 29 16 -2 17 24 1 17 26 1 18 25 1 18 29 1 19 25 1 19 30 1 20 22 1 21 23 1 25 21 -2 24 27 1 27 30 1 28 29 1 28 30 1', 'C24H36O4', 388.27, 'C', 'ph47_211_2', 3822, '', '', '1', 47, NULL, NULL),
(15121, '', '2a,19-Dihydroxy-7a,8a-epoxy-9-epi-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C@:8]12O[C@@H:7]2[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([CH2:19]O)[CH2:3][C@H:2](O)[CH2:1][C@@:10]34[CH3:20]', '[H][C@]13CC[C@](C)(C=C)C[C@]12O[C@@H]2C[C@]4([H])[C@](C)(CO)C[C@H](O)C[C@@]34C', '[H][C@:49]13[CH2:23][CH2:36][C@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:46][C@:61]12O[C@@H:60]2[CH2:22][C@:42]4([H])[C@:40]([CH3:27])([CH2:65]O)[CH2:47][C@H:64](O)[CH2:45][C@@:38]34[CH3:26]', '25 28 H 17.28 -11.08 H 16.01 -13.23 C:16 22.17 -8.08 C:17 20.61 -7.49 C:18 15.72 -14.05 C:20 16.01 -9.38 O 13.99 -15.31 O 12.30 -10.15 C:15 21.16 -9.02 C:19 13.70 -13.96 C:12 18.53 -7.95 C:11 17.28 -8.66 C:6 17.28 -12.99 C:3 13.50 -12.27 C:1 14.74 -10.10 C:14 19.74 -10.10 O 19.74 -11.55 C:2 13.50 -10.84 C:7 18.53 -12.27 C:13 19.74 -8.66 C:9 17.28 -10.10 C:5 16.01 -12.27 C:4 14.74 -12.99 C:10 16.01 -10.84 C:8 18.53 -10.84 21 1 -2 22 2 -1 3 9 2 20 4 -1 23 5 -1 24 6 -2 7 10 1 18 8 -2 20 9 -2 23 10 -2 11 12 1 11 20 1 12 21 1 13 19 1 13 22 1 14 18 1 14 23 1 15 18 1 15 24 1 16 20 1 16 25 1 19 17 -2 25 17 -2 19 25 1 21 24 1 21 25 1 22 23 1 22 24 1', '25 28 H 17.28 -11.08 H 16.01 -13.23 C 22.17 -8.08 C 20.61 -7.49 C 15.72 -14.05 C 16.01 -9.38 O 13.99 -15.31 O 12.30 -10.15 C 21.16 -9.02 C 13.70 -13.96 C 18.53 -7.95 C 17.28 -8.66 C 17.28 -12.99 C 13.50 -12.27 C 14.74 -10.10 C 19.74 -10.10 O 19.74 -11.55 C 13.50 -10.84 C 18.53 -12.27 C 19.74 -8.66 C 17.28 -10.10 C 16.01 -12.27 C 14.74 -12.99 C 16.01 -10.84 C 18.53 -10.84 21 1 -2 22 2 -1 3 9 2 20 4 -1 23 5 -1 24 6 -2 7 10 1 18 8 -2 20 9 -2 23 10 -2 11 12 1 11 20 1 12 21 1 13 19 1 13 22 1 14 18 1 14 23 1 15 18 1 15 24 1 16 20 1 16 25 1 19 17 -2 25 17 -2 19 25 1 21 24 1 21 25 1 22 23 1 22 24 1', '25 28 H 17.28 -11.08 H 16.01 -13.23 C:110 22.17 -8.08 C:22 20.61 -7.49 C:27 15.72 -14.05 C:26 16.01 -9.38 O 13.99 -15.31 O 12.30 -10.15 C:149 21.16 -9.02 C:65 13.70 -13.96 C:36 18.53 -7.95 C:23 17.28 -8.66 C:22 17.28 -12.99 C:47 13.50 -12.27 C:45 14.74 -10.10 C:46 19.74 -10.10 O 19.74 -11.55 C:64 13.50 -10.84 C:60 18.53 -12.27 C:38 19.74 -8.66 C:49 17.28 -10.10 C:42 16.01 -12.27 C:40 14.74 -12.99 C:38 16.01 -10.84 C:61 18.53 -10.84 21 1 -2 22 2 -1 3 9 2 20 4 -1 23 5 -1 24 6 -2 7 10 1 18 8 -2 20 9 -2 23 10 -2 11 12 1 11 20 1 12 21 1 13 19 1 13 22 1 14 18 1 14 23 1 15 18 1 15 24 1 16 20 1 16 25 1 19 17 -2 25 17 -2 19 25 1 21 24 1 21 25 1 22 23 1 22 24 1', 'C20H32O3', 320.228, 'C', 'ph47_211_3', 3822, '', '', '1', 47, NULL, NULL),
(15122, '', '2a,6b-19-Trihydroxy-7a,8a-epoxy-9-epi-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C@:8]12O[C@@H:7]2[C@@H:6](O)[C@:5]4([H])[C@:4]([CH3:18])([CH2:19]O)[CH2:3][C@H:2](O)[CH2:1][C@@:10]34[CH3:20]', '[H][C@]13CC[C@](C)(C=C)C[C@]12O[C@@H]2[C@@H](O)[C@]4([H])[C@](C)(CO)C[C@H](O)C[C@@]34C', '[H][C@:49]13[CH2:23][CH2:36][C@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:49][C@:61]12O[C@@H:66]2[C@@H:68](O)[C@:49]4([H])[C@:40]([CH3:30])([CH2:68]O)[CH2:47][C@H:64](O)[CH2:46][C@@:38]34[CH3:27]', '26 29 H 17.32 -11.10 H 16.02 -13.24 C:16 22.20 -8.06 C:17 20.64 -7.50 C:18 15.73 -14.06 C:20 16.02 -9.39 O 14.00 -15.32 O 12.31 -10.16 O 17.32 -14.40 C:15 21.19 -9.03 C:19 13.71 -13.97 C:12 18.58 -7.96 C:11 17.32 -8.67 C:3 13.51 -12.28 C:1 14.75 -10.16 C:14 19.77 -10.16 O 19.77 -11.57 C:2 13.51 -10.86 C:6 17.32 -13.00 C:7 18.58 -12.28 C:13 19.77 -8.67 C:9 17.32 -10.16 C:4 14.75 -13.00 C:5 16.02 -12.28 C:10 16.02 -10.86 C:8 18.58 -10.86 22 1 -2 24 2 -1 3 10 2 21 4 -1 23 5 -1 25 6 -2 7 11 1 18 8 -2 19 9 -1 21 10 -2 23 11 -2 12 13 1 12 21 1 13 22 1 14 18 1 14 23 1 15 18 1 15 25 1 16 21 1 16 26 1 20 17 -2 26 17 -2 19 20 1 19 24 1 20 26 1 22 25 1 22 26 1 23 24 1 24 25 1', '26 29 H 17.32 -11.10 H 16.02 -13.24 C 22.20 -8.06 C 20.64 -7.50 C 15.73 -14.06 C 16.02 -9.39 O 14.00 -15.32 O 12.31 -10.16 O 17.32 -14.40 C 21.19 -9.03 C 13.71 -13.97 C 18.58 -7.96 C 17.32 -8.67 C 13.51 -12.28 C 14.75 -10.16 C 19.77 -10.16 O 19.77 -11.57 C 13.51 -10.86 C 17.32 -13.00 C 18.58 -12.28 C 19.77 -8.67 C 17.32 -10.16 C 14.75 -13.00 C 16.02 -12.28 C 16.02 -10.86 C 18.58 -10.86 22 1 -2 24 2 -1 3 10 2 21 4 -1 23 5 -1 25 6 -2 7 11 1 18 8 -2 19 9 -1 21 10 -2 23 11 -2 12 13 1 12 21 1 13 22 1 14 18 1 14 23 1 15 18 1 15 25 1 16 21 1 16 26 1 20 17 -2 26 17 -2 19 20 1 19 24 1 20 26 1 22 25 1 22 26 1 23 24 1 24 25 1', '26 29 H 17.32 -11.10 H 16.02 -13.24 C:110 22.20 -8.06 C:22 20.64 -7.50 C:30 15.73 -14.06 C:27 16.02 -9.39 O 14.00 -15.32 O 12.31 -10.16 O 17.32 -14.40 C:149 21.19 -9.03 C:68 13.71 -13.97 C:36 18.58 -7.96 C:23 17.32 -8.67 C:47 13.51 -12.28 C:46 14.75 -10.16 C:49 19.77 -10.16 O 19.77 -11.57 C:64 13.51 -10.86 C:68 17.32 -13.00 C:66 18.58 -12.28 C:38 19.77 -8.67 C:49 17.32 -10.16 C:40 14.75 -13.00 C:49 16.02 -12.28 C:38 16.02 -10.86 C:61 18.58 -10.86 22 1 -2 24 2 -1 3 10 2 21 4 -1 23 5 -1 25 6 -2 7 11 1 18 8 -2 19 9 -1 21 10 -2 23 11 -2 12 13 1 12 21 1 13 22 1 14 18 1 14 23 1 15 18 1 15 25 1 16 21 1 16 26 1 20 17 -2 26 17 -2 19 20 1 19 24 1 20 26 1 22 25 1 22 26 1 23 24 1 24 25 1', 'C20H32O4', 336.227, 'C', 'ph47_211_4', 3822, '', '', '1', 47, NULL, NULL),
(15123, '', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C@:8]12O[C@@H:7]2[C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]4([H])[C@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]34[CH3:20]', '[H][C@]13CC[C@](C)(C=C)C[C@]12O[C@@H]2[C@@H](OC(C)=O)[C@]4([H])[C@](C)(COC(C)=O)C[C@H](OC(C)=O)C[C@@]34C', '[H][C@:50]13[CH2:23][CH2:36][C@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:45][C@:60]12O[C@@H:62]2[C@@H:69](O[C:9999]([CH3:9999])=O)[C@:47]4([H])[C@:39]([CH3:29])([CH2:68]O[C:9999]([CH3:9999])=O)[CH2:44][C@H:68](O[C:9999]([CH3:9999])=O)[CH2:43][C@@:37]34[CH3:27]', '35 38 H 17.89 -9.98 H 16.59 -12.13 C:16 22.77 -6.94 C:19002 13.83 -16.52 C:2002 11.68 -6.94 C:6002 19.15 -15.38 C:17 21.21 -6.38 C:18 16.30 -12.95 C:20 16.59 -8.27 O 12.19 -14.72 O 14.08 -6.94 O 20.34 -13.29 C:15 21.76 -7.91 C:12 19.15 -6.84 C:11 17.89 -7.55 C:19 14.28 -12.86 C:3 14.08 -11.17 C:1 15.32 -9.04 C:14 20.34 -9.04 O 14.57 -14.21 O 12.88 -9.04 O 17.89 -13.29 O 20.34 -10.45 C:19001 13.53 -15.15 C:2001 12.88 -7.64 C:6001 19.15 -13.98 C:2 14.08 -9.74 C:6 17.89 -11.89 C:7 19.15 -11.17 C:13 20.34 -7.55 C:9 17.89 -9.04 C:4 15.32 -11.89 C:5 16.59 -11.17 C:10 16.59 -9.74 C:8 19.15 -9.74 31 1 -2 33 2 -1 3 13 2 4 24 1 5 25 1 6 26 1 30 7 -1 32 8 -1 34 9 -2 10 24 2 11 25 2 12 26 2 30 13 -2 14 15 1 14 30 1 15 31 1 16 20 1 32 16 -2 17 27 1 17 32 1 18 27 1 18 34 1 19 30 1 19 35 1 20 24 1 21 25 1 27 21 -2 22 26 1 28 22 -1 29 23 -2 35 23 -2 28 29 1 28 33 1 29 35 1 31 34 1 31 35 1 32 33 1 33 34 1', '35 38 H 17.89 -9.98 H 16.59 -12.13 C 22.77 -6.94 C 13.83 -16.52 C 11.68 -6.94 C 19.15 -15.38 C 21.21 -6.38 C 16.30 -12.95 C 16.59 -8.27 O 12.19 -14.72 O 14.08 -6.94 O 20.34 -13.29 C 21.76 -7.91 C 19.15 -6.84 C 17.89 -7.55 C 14.28 -12.86 C 14.08 -11.17 C 15.32 -9.04 C 20.34 -9.04 O 14.57 -14.21 O 12.88 -9.04 O 17.89 -13.29 O 20.34 -10.45 C 13.53 -15.15 C 12.88 -7.64 C 19.15 -13.98 C 14.08 -9.74 C 17.89 -11.89 C 19.15 -11.17 C 20.34 -7.55 C 17.89 -9.04 C 15.32 -11.89 C 16.59 -11.17 C 16.59 -9.74 C 19.15 -9.74 31 1 -2 33 2 -1 3 13 2 4 24 1 5 25 1 6 26 1 30 7 -1 32 8 -1 34 9 -2 10 24 2 11 25 2 12 26 2 30 13 -2 14 15 1 14 30 1 15 31 1 16 20 1 32 16 -2 17 27 1 17 32 1 18 27 1 18 34 1 19 30 1 19 35 1 20 24 1 21 25 1 27 21 -2 22 26 1 28 22 -1 29 23 -2 35 23 -2 28 29 1 28 33 1 29 35 1 31 34 1 31 35 1 32 33 1 33 34 1', '35 38 H 17.89 -9.98 H 16.59 -12.13 C:110 22.77 -6.94 C 13.83 -16.52 C 11.68 -6.94 C 19.15 -15.38 C:22 21.21 -6.38 C:29 16.30 -12.95 C:27 16.59 -8.27 O 12.19 -14.72 O 14.08 -6.94 O 20.34 -13.29 C:149 21.76 -7.91 C:36 19.15 -6.84 C:23 17.89 -7.55 C:68 14.28 -12.86 C:44 14.08 -11.17 C:43 15.32 -9.04 C:45 20.34 -9.04 O 14.57 -14.21 O 12.88 -9.04 O 17.89 -13.29 O 20.34 -10.45 C 13.53 -15.15 C 12.88 -7.64 C 19.15 -13.98 C:68 14.08 -9.74 C:69 17.89 -11.89 C:62 19.15 -11.17 C:38 20.34 -7.55 C:50 17.89 -9.04 C:39 15.32 -11.89 C:47 16.59 -11.17 C:37 16.59 -9.74 C:60 19.15 -9.74 31 1 -2 33 2 -1 3 13 2 4 24 1 5 25 1 6 26 1 30 7 -1 32 8 -1 34 9 -2 10 24 2 11 25 2 12 26 2 30 13 -2 14 15 1 14 30 1 15 31 1 16 20 1 32 16 -2 17 27 1 17 32 1 18 27 1 18 34 1 19 30 1 19 35 1 20 24 1 21 25 1 27 21 -2 22 26 1 28 22 -1 29 23 -2 35 23 -2 28 29 1 28 33 1 29 35 1 31 34 1 31 35 1 32 33 1 33 34 1', 'C26H38O7', 462.29, 'C', 'ph47_211_5', 3822, '', '', '1', 47, NULL, NULL),
(15124, '', '2a,9b,19-Trihydroxy-7ca,8ca-epoxy-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]34[CH2:6][C@H:7]1O[C@:8]12[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@@:9]2(O)[C@:10]3([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]4([CH3:18])[CH2:19]O', '[H][C@]34C[C@H]1O[C@]12C[C@@](C)(C=C)CC[C@@]2(O)[C@]3(C)C[C@@H](O)C[C@@]4(C)CO', '[H][C@:45]34[CH2:21][C@H:63]1O[C@:63]12[CH2:42][C@@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:32][CH2:29][C@@:75]2(O)[C@:43]3([CH3:18])[CH2:42][C@@H:64](O)[CH2:44][C@@:40]4([CH3:28])[CH2:65]O', '25 28 H 16.01 -13.21 C:16 22.13 -8.08 C:17 20.59 -7.53 C:18 15.72 -14.02 C:20 16.01 -9.41 O 14.02 -15.27 O 12.34 -10.17 O 17.30 -11.55 C:15 21.13 -9.05 C:19 13.73 -13.94 C:12 18.54 -7.99 C:11 17.30 -8.70 C:6 17.30 -12.98 C:3 13.53 -12.27 C:1 14.76 -10.17 C:14 19.73 -10.17 O 19.73 -11.55 C:2 13.53 -10.86 C:7 18.54 -12.27 C:13 19.73 -8.70 C:5 16.01 -12.27 C:4 14.76 -12.98 C:10 16.01 -10.86 C:9 17.30 -10.17 C:8 18.54 -10.86 21 1 -1 2 9 2 20 3 -1 22 4 -1 23 5 -2 6 10 1 18 7 -2 24 8 -1 20 9 -2 22 10 -2 11 12 1 11 20 1 12 24 1 13 19 1 13 21 1 14 18 1 14 22 1 15 18 1 15 23 1 16 20 1 16 25 1 19 17 -2 25 17 -2 19 25 1 21 22 1 21 23 1 23 24 1 24 25 1', '25 28 H 16.01 -13.21 C 22.13 -8.08 C 20.59 -7.53 C 15.72 -14.02 C 16.01 -9.41 O 14.02 -15.27 O 12.34 -10.17 O 17.30 -11.55 C 21.13 -9.05 C 13.73 -13.94 C 18.54 -7.99 C 17.30 -8.70 C 17.30 -12.98 C 13.53 -12.27 C 14.76 -10.17 C 19.73 -10.17 O 19.73 -11.55 C 13.53 -10.86 C 18.54 -12.27 C 19.73 -8.70 C 16.01 -12.27 C 14.76 -12.98 C 16.01 -10.86 C 17.30 -10.17 C 18.54 -10.86 21 1 -1 2 9 2 20 3 -1 22 4 -1 23 5 -2 6 10 1 18 7 -2 24 8 -1 20 9 -2 22 10 -2 11 12 1 11 20 1 12 24 1 13 19 1 13 21 1 14 18 1 14 22 1 15 18 1 15 23 1 16 20 1 16 25 1 19 17 -2 25 17 -2 19 25 1 21 22 1 21 23 1 23 24 1 24 25 1', '25 28 H 16.01 -13.21 C:110 22.13 -8.08 C:22 20.59 -7.53 C:28 15.72 -14.02 C:18 16.01 -9.41 O 14.02 -15.27 O 12.34 -10.17 O 17.30 -11.55 C:149 21.13 -9.05 C:65 13.73 -13.94 C:32 18.54 -7.99 C:29 17.30 -8.70 C:21 17.30 -12.98 C:44 13.53 -12.27 C:42 14.76 -10.17 C:42 19.73 -10.17 O 19.73 -11.55 C:64 13.53 -10.86 C:63 18.54 -12.27 C:38 19.73 -8.70 C:45 16.01 -12.27 C:40 14.76 -12.98 C:43 16.01 -10.86 C:75 17.30 -10.17 C:63 18.54 -10.86 21 1 -1 2 9 2 20 3 -1 22 4 -1 23 5 -2 6 10 1 18 7 -2 24 8 -1 20 9 -2 22 10 -2 11 12 1 11 20 1 12 24 1 13 19 1 13 21 1 14 18 1 14 22 1 15 18 1 15 23 1 16 20 1 16 25 1 19 17 -2 25 17 -2 19 25 1 21 22 1 21 23 1 23 24 1 24 25 1', 'C20H32O4', 336.22, 'C', 'ph47_211_6', 3822, '', '', '1', 47, NULL, NULL),
(15125, '', '2a,19-Dihydroxy-7-oxo-9-epi-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:8]13[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]([CH3:18])([CH2:19]O)[C@@:5]2([H])[CH2:6][C:7]3=O', '[H][C@]13C[C@@](C)(C=C)CC[C@]1([H])[C@]2(C)C[C@@H](O)C[C@@](C)(CO)[C@@]2([H])CC3=O', '[H][C@:53]13[CH2:38][C@@:37]([CH3:22])([CH:152]=[CH2:110])[CH2:39][CH2:25][C@:45]1([H])[C@:41]2([CH3:26])[CH2:45][C@@H:66](O)[CH2:46][C@@:39]([CH3:28])([CH2:67]O)[C@@:48]2([H])[CH2:38][C:217]3=O', '26 28 H 18.53 -9.91 H 17.26 -11.11 H 15.98 -13.27 C:16 22.22 -7.99 C:17 20.63 -7.46 C:18 15.69 -14.11 C:20 15.98 -9.38 O 19.75 -13.04 O 13.93 -15.39 O 12.22 -10.17 C:15 21.19 -9.01 C:19 13.64 -14.02 C:12 18.53 -7.93 C:11 17.26 -8.65 C:6 17.26 -13.04 C:3 13.44 -12.31 C:1 14.70 -10.17 C:14 19.75 -10.17 C:7 18.53 -12.31 C:2 13.44 -10.86 C:8 18.53 -10.86 C:13 19.75 -8.65 C:9 17.26 -10.17 C:5 15.98 -12.31 C:4 14.70 -13.04 C:10 15.98 -10.86 21 1 -1 23 2 -2 24 3 -1 4 11 2 22 5 -1 25 6 -1 26 7 -2 8 19 2 9 12 1 20 10 -2 22 11 -2 25 12 -2 13 14 1 13 22 1 14 23 1 15 19 1 15 24 1 16 20 1 16 25 1 17 20 1 17 26 1 18 21 1 18 22 1 19 21 1 21 23 1 23 26 1 24 25 1 24 26 1', '26 28 H 18.53 -9.91 H 17.26 -11.11 H 15.98 -13.27 C 22.22 -7.99 C 20.63 -7.46 C 15.69 -14.11 C 15.98 -9.38 O 19.75 -13.04 O 13.93 -15.39 O 12.22 -10.17 C 21.19 -9.01 C 13.64 -14.02 C 18.53 -7.93 C 17.26 -8.65 C 17.26 -13.04 C 13.44 -12.31 C 14.70 -10.17 C 19.75 -10.17 C 18.53 -12.31 C 13.44 -10.86 C 18.53 -10.86 C 19.75 -8.65 C 17.26 -10.17 C 15.98 -12.31 C 14.70 -13.04 C 15.98 -10.86 21 1 -1 23 2 -2 24 3 -1 4 11 2 22 5 -1 25 6 -1 26 7 -2 8 19 2 9 12 1 20 10 -2 22 11 -2 25 12 -2 13 14 1 13 22 1 14 23 1 15 19 1 15 24 1 16 20 1 16 25 1 17 20 1 17 26 1 18 21 1 18 22 1 19 21 1 21 23 1 23 26 1 24 25 1 24 26 1', '26 28 H 18.53 -9.91 H 17.26 -11.11 H 15.98 -13.27 C:110 22.22 -7.99 C:22 20.63 -7.46 C:28 15.69 -14.11 C:26 15.98 -9.38 O 19.75 -13.04 O 13.93 -15.39 O 12.22 -10.17 C:152 21.19 -9.01 C:67 13.64 -14.02 C:39 18.53 -7.93 C:25 17.26 -8.65 C:38 17.26 -13.04 C:46 13.44 -12.31 C:45 14.70 -10.17 C:38 19.75 -10.17 C:217 18.53 -12.31 C:66 13.44 -10.86 C:53 18.53 -10.86 C:37 19.75 -8.65 C:45 17.26 -10.17 C:48 15.98 -12.31 C:39 14.70 -13.04 C:41 15.98 -10.86 21 1 -1 23 2 -2 24 3 -1 4 11 2 22 5 -1 25 6 -1 26 7 -2 8 19 2 9 12 1 20 10 -2 22 11 -2 25 12 -2 13 14 1 13 22 1 14 23 1 15 19 1 15 24 1 16 20 1 16 25 1 17 20 1 17 26 1 18 21 1 18 22 1 19 21 1 21 23 1 23 26 1 24 25 1 24 26 1', 'C20H32O3', 320.236, 'M', 'ph47_211_7', 3822, '', '', '1', 47, NULL, NULL),
(15126, '', '2a,19-Dihydroxy-7-oxo-ent-pimara-8(9),15-diene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]23[CH2:6][C:7](=O)[C:8]1=[C:9]([CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]1)[C@:10]2([CH3:20])[CH2:1][C@@H:2](O)[CH2:3][C@@:4]3([CH3:18])[CH2:19]O', '[H][C@]23CC(=O)C1=C(CC[C@](C)(C=C)C1)[C@]2(C)C[C@@H](O)C[C@@]3(C)CO', '[H][C@:50]23[CH2:33][C:199](=O)[C:129]1=[C:164]([CH2:23][CH2:33][C@:34]([CH3:25])([CH:147]=[CH2:111])[CH2:35]1)[C@:41]2([CH3:20])[CH2:44][C@@H:64](O)[CH2:45][C@@:40]3([CH3:26])[CH2:66]O', '24 26 H 16.04 -13.23 C:16 22.13 -8.08 C:17 20.58 -7.56 C:18 15.76 -14.05 C:20 16.04 -9.43 O 19.72 -13.00 O 14.04 -15.30 O 12.37 -10.20 C:15 21.12 -9.07 C:19 13.76 -13.96 C:11 17.29 -8.72 C:12 18.53 -8.02 C:6 17.29 -13.00 C:14 19.72 -10.20 C:3 13.56 -12.29 C:1 14.79 -10.20 C:7 18.53 -12.29 C:8 18.53 -10.88 C:9 17.29 -10.20 C:2 13.56 -10.88 C:13 19.72 -8.72 C:5 16.04 -12.29 C:4 14.79 -13.00 C:10 16.04 -10.88 22 1 -1 2 9 2 21 3 -1 23 4 -1 24 5 -2 6 17 2 7 10 1 20 8 -2 21 9 -2 23 10 -2 11 12 1 11 19 1 12 21 1 13 17 1 13 22 1 14 18 1 14 21 1 15 20 1 15 23 1 16 20 1 16 24 1 17 18 1 18 19 2 19 24 1 22 23 1 22 24 1', '24 26 H 16.04 -13.23 C 22.13 -8.08 C 20.58 -7.56 C 15.76 -14.05 C 16.04 -9.43 O 19.72 -13.00 O 14.04 -15.30 O 12.37 -10.20 C 21.12 -9.07 C 13.76 -13.96 C 17.29 -8.72 C 18.53 -8.02 C 17.29 -13.00 C 19.72 -10.20 C 13.56 -12.29 C 14.79 -10.20 C 18.53 -12.29 C 18.53 -10.88 C 17.29 -10.20 C 13.56 -10.88 C 19.72 -8.72 C 16.04 -12.29 C 14.79 -13.00 C 16.04 -10.88 22 1 -1 2 9 2 21 3 -1 23 4 -1 24 5 -2 6 17 2 7 10 1 20 8 -2 21 9 -2 23 10 -2 11 12 1 11 19 1 12 21 1 13 17 1 13 22 1 14 18 1 14 21 1 15 20 1 15 23 1 16 20 1 16 24 1 17 18 1 18 19 2 19 24 1 22 23 1 22 24 1', '24 26 H 16.04 -13.23 C:111 22.13 -8.08 C:25 20.58 -7.56 C:26 15.76 -14.05 C:20 16.04 -9.43 O 19.72 -13.00 O 14.04 -15.30 O 12.37 -10.20 C:147 21.12 -9.07 C:66 13.76 -13.96 C:23 17.29 -8.72 C:33 18.53 -8.02 C:33 17.29 -13.00 C:35 19.72 -10.20 C:45 13.56 -12.29 C:44 14.79 -10.20 C:199 18.53 -12.29 C:129 18.53 -10.88 C:164 17.29 -10.20 C:64 13.56 -10.88 C:34 19.72 -8.72 C:50 16.04 -12.29 C:40 14.79 -13.00 C:41 16.04 -10.88 22 1 -1 2 9 2 21 3 -1 23 4 -1 24 5 -2 6 17 2 7 10 1 20 8 -2 21 9 -2 23 10 -2 11 12 1 11 19 1 12 21 1 13 17 1 13 22 1 14 18 1 14 21 1 15 20 1 15 23 1 16 20 1 16 24 1 17 18 1 18 19 2 19 24 1 22 23 1 22 24 1', 'C20H30O3', 318.22, 'C', 'ph47_211_8', 3822, '', '', '1', 47, NULL, NULL),
(15127, '', '2a,7a,19-Triacetate', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C@:8]1(O)[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:6][C@:5]3([H])[C@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)C[C@]1(O)[C@H](OC(C)=O)C[C@]3([H])[C@](C)(COC(C)=O)C[C@H](OC(C)=O)C[C@@]23C', '[H][C@:56]12[CH2:21][CH2:37][C@:37]([CH3:23])([CH:151]=[CH2:109])[CH2:47][C@:74]1(O)[C@H:76](O[C:9999]([CH3:9999])=O)[CH2:24][C@:46]3([H])[C@:39]([CH3:28])([CH2:67]O[C:9999]([CH3:9999])=O)[CH2:42][C@H:69](O[C:9999]([CH3:9999])=O)[CH2:41][C@@:39]23[CH3:26]', '35 37 H 17.87 -9.94 H 16.61 -12.08 C:16 22.79 -6.85 C:19002 13.84 -16.47 C:2002 11.67 -6.94 C:7002 21.56 -13.92 C:17 21.21 -6.33 C:18 16.33 -12.91 C:20 16.61 -8.23 O 12.22 -14.67 O 14.10 -6.91 O 19.14 -13.95 O 19.14 -8.31 C:15 21.77 -7.86 C:12 19.13 -6.79 C:11 17.87 -7.50 C:19 14.30 -12.82 C:3 14.10 -11.13 C:6 17.87 -11.85 C:1 15.35 -9.01 C:14 20.35 -9.01 O 14.58 -14.18 O 12.89 -9.01 O 20.35 -11.85 C:19001 13.55 -15.11 C:2001 12.89 -7.62 C:7001 20.35 -13.24 C:2 14.10 -9.69 C:7 19.13 -11.13 C:13 20.35 -7.50 C:9 17.87 -9.01 C:5 16.61 -11.13 C:4 15.35 -11.85 C:10 16.61 -9.69 C:8 19.14 -9.69 31 1 -2 32 2 -1 3 14 2 4 25 1 5 26 1 6 27 1 30 7 -1 33 8 -1 34 9 -2 10 25 2 11 26 2 12 27 2 35 13 -1 30 14 -2 15 16 1 15 30 1 16 31 1 17 22 1 33 17 -2 18 28 1 18 33 1 19 29 1 19 32 1 20 28 1 20 34 1 21 30 1 21 35 1 22 25 1 23 26 1 28 23 -2 24 27 1 29 24 -2 29 35 1 31 34 1 31 35 1 32 33 1 32 34 1', '35 37 H 17.87 -9.94 H 16.61 -12.08 C 22.79 -6.85 C 13.84 -16.47 C 11.67 -6.94 C 21.56 -13.92 C 21.21 -6.33 C 16.33 -12.91 C 16.61 -8.23 O 12.22 -14.67 O 14.10 -6.91 O 19.14 -13.95 O 19.14 -8.31 C 21.77 -7.86 C 19.13 -6.79 C 17.87 -7.50 C 14.30 -12.82 C 14.10 -11.13 C 17.87 -11.85 C 15.35 -9.01 C 20.35 -9.01 O 14.58 -14.18 O 12.89 -9.01 O 20.35 -11.85 C 13.55 -15.11 C 12.89 -7.62 C 20.35 -13.24 C 14.10 -9.69 C 19.13 -11.13 C 20.35 -7.50 C 17.87 -9.01 C 16.61 -11.13 C 15.35 -11.85 C 16.61 -9.69 C 19.14 -9.69 31 1 -2 32 2 -1 3 14 2 4 25 1 5 26 1 6 27 1 30 7 -1 33 8 -1 34 9 -2 10 25 2 11 26 2 12 27 2 35 13 -1 30 14 -2 15 16 1 15 30 1 16 31 1 17 22 1 33 17 -2 18 28 1 18 33 1 19 29 1 19 32 1 20 28 1 20 34 1 21 30 1 21 35 1 22 25 1 23 26 1 28 23 -2 24 27 1 29 24 -2 29 35 1 31 34 1 31 35 1 32 33 1 32 34 1', '35 37 H 17.87 -9.94 H 16.61 -12.08 C:109 22.79 -6.85 C 13.84 -16.47 C 11.67 -6.94 C 21.56 -13.92 C:23 21.21 -6.33 C:28 16.33 -12.91 C:26 16.61 -8.23 O 12.22 -14.67 O 14.10 -6.91 O 19.14 -13.95 O 19.14 -8.31 C:151 21.77 -7.86 C:37 19.13 -6.79 C:21 17.87 -7.50 C:67 14.30 -12.82 C:42 14.10 -11.13 C:24 17.87 -11.85 C:41 15.35 -9.01 C:47 20.35 -9.01 O 14.58 -14.18 O 12.89 -9.01 O 20.35 -11.85 C 13.55 -15.11 C 12.89 -7.62 C 20.35 -13.24 C:69 14.10 -9.69 C:76 19.13 -11.13 C:37 20.35 -7.50 C:56 17.87 -9.01 C:46 16.61 -11.13 C:39 15.35 -11.85 C:39 16.61 -9.69 C:74 19.14 -9.69 31 1 -2 32 2 -1 3 14 2 4 25 1 5 26 1 6 27 1 30 7 -1 33 8 -1 34 9 -2 10 25 2 11 26 2 12 27 2 35 13 -1 30 14 -2 15 16 1 15 30 1 16 31 1 17 22 1 33 17 -2 18 28 1 18 33 1 19 29 1 19 32 1 20 28 1 20 34 1 21 30 1 21 35 1 22 25 1 23 26 1 28 23 -2 24 27 1 29 24 -2 29 35 1 31 34 1 31 35 1 32 33 1 32 34 1', 'C26H40O7', 464.29, 'C', 'ph47_211_10', 3822, '', '', '1', 47, NULL, NULL),
(15128, '', '2a,7a,19-Triacetoxy-9b-hydroxy-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:8]13[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@@:9]1(O)[C@:10]2([CH3:20])[CH2:1][C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@:4]([CH3:18])([CH2:19]O[C:19001]([CH3:19002])=O)[C@@:5]2([H])[CH2:6][C@H:7]3O[C:7001]([CH3:7002])=O', '[H][C@@]13C[C@@](C)(C=C)CC[C@@]1(O)[C@]2(C)C[C@@H](OC(C)=O)C[C@@](C)(COC(C)=O)[C@@]2([H])C[C@H]3OC(C)=O', '[H][C@@:38]13[CH2:35][C@@:36]([CH3:31])([CH:145]=[CH2:113])[CH2:32][CH2:27][C@@:76]1(O)[C@:43]2([CH3:18])[CH2:37][C@@H:68](O[C:9999]([CH3:9999])=O)[CH2:41][C@@:38]([CH3:28])([CH2:67]O[C:9999]([CH3:9999])=O)[C@@:43]2([H])[CH2:27][C@H:75]3O[C:9999]([CH3:9999])=O', '35 37 H 19.17 -8.75 H 16.64 -12.12 C:16 22.82 -6.90 C:19002 13.88 -16.50 C:2002 11.71 -6.99 C:7002 21.59 -13.99 C:17 21.24 -6.38 C:18 16.36 -12.95 C:20 16.64 -8.28 O 12.26 -14.71 O 14.14 -6.99 O 19.17 -13.99 O 17.90 -10.45 C:15 21.80 -7.91 C:12 19.17 -6.84 C:11 17.90 -7.55 C:19 14.34 -12.86 C:3 14.14 -11.17 C:1 15.39 -9.05 C:6 17.90 -11.89 C:14 20.38 -9.05 O 14.62 -14.22 O 12.93 -9.05 O 20.38 -11.89 C:19001 13.59 -15.15 C:2001 12.93 -7.67 C:7001 20.38 -13.28 C:2 14.14 -9.73 C:7 19.17 -11.17 C:13 20.38 -7.55 C:8 19.17 -9.73 C:5 16.64 -11.17 C:4 15.39 -11.89 C:10 16.64 -9.73 C:9 17.90 -9.05 31 1 -2 32 2 -1 3 14 2 4 25 1 5 26 1 6 27 1 30 7 -1 33 8 -1 34 9 -2 10 25 2 11 26 2 12 27 2 35 13 -1 30 14 -2 15 16 1 15 30 1 16 35 1 17 22 1 33 17 -2 18 28 1 18 33 1 19 28 1 19 34 1 20 29 1 20 32 1 21 30 1 21 31 1 22 25 1 23 26 1 28 23 -2 24 27 1 29 24 -2 29 31 1 31 35 1 32 33 1 32 34 1 34 35 1', '35 37 H 19.17 -8.75 H 16.64 -12.12 C 22.82 -6.90 C 13.88 -16.50 C 11.71 -6.99 C 21.59 -13.99 C 21.24 -6.38 C 16.36 -12.95 C 16.64 -8.28 O 12.26 -14.71 O 14.14 -6.99 O 19.17 -13.99 O 17.90 -10.45 C 21.80 -7.91 C 19.17 -6.84 C 17.90 -7.55 C 14.34 -12.86 C 14.14 -11.17 C 15.39 -9.05 C 17.90 -11.89 C 20.38 -9.05 O 14.62 -14.22 O 12.93 -9.05 O 20.38 -11.89 C 13.59 -15.15 C 12.93 -7.67 C 20.38 -13.28 C 14.14 -9.73 C 19.17 -11.17 C 20.38 -7.55 C 19.17 -9.73 C 16.64 -11.17 C 15.39 -11.89 C 16.64 -9.73 C 17.90 -9.05 31 1 -2 32 2 -1 3 14 2 4 25 1 5 26 1 6 27 1 30 7 -1 33 8 -1 34 9 -2 10 25 2 11 26 2 12 27 2 35 13 -1 30 14 -2 15 16 1 15 30 1 16 35 1 17 22 1 33 17 -2 18 28 1 18 33 1 19 28 1 19 34 1 20 29 1 20 32 1 21 30 1 21 31 1 22 25 1 23 26 1 28 23 -2 24 27 1 29 24 -2 29 31 1 31 35 1 32 33 1 32 34 1 34 35 1', '35 37 H 19.17 -8.75 H 16.64 -12.12 C:113 22.82 -6.90 C 13.88 -16.50 C 11.71 -6.99 C 21.59 -13.99 C:31 21.24 -6.38 C:28 16.36 -12.95 C:18 16.64 -8.28 O 12.26 -14.71 O 14.14 -6.99 O 19.17 -13.99 O 17.90 -10.45 C:145 21.80 -7.91 C:32 19.17 -6.84 C:27 17.90 -7.55 C:67 14.34 -12.86 C:41 14.14 -11.17 C:37 15.39 -9.05 C:27 17.90 -11.89 C:35 20.38 -9.05 O 14.62 -14.22 O 12.93 -9.05 O 20.38 -11.89 C 13.59 -15.15 C 12.93 -7.67 C 20.38 -13.28 C:68 14.14 -9.73 C:75 19.17 -11.17 C:36 20.38 -7.55 C:38 19.17 -9.73 C:43 16.64 -11.17 C:38 15.39 -11.89 C:43 16.64 -9.73 C:76 17.90 -9.05 31 1 -2 32 2 -1 3 14 2 4 25 1 5 26 1 6 27 1 30 7 -1 33 8 -1 34 9 -2 10 25 2 11 26 2 12 27 2 35 13 -1 30 14 -2 15 16 1 15 30 1 16 35 1 17 22 1 33 17 -2 18 28 1 18 33 1 19 28 1 19 34 1 20 29 1 20 32 1 21 30 1 21 31 1 22 25 1 23 26 1 28 23 -2 24 27 1 29 24 -2 29 31 1 31 35 1 32 33 1 32 34 1 34 35 1', 'C26H40O7', 464.29, 'C', 'ph47_211_12', 3822, '', '', '1', 47, NULL, NULL),
(15129, '', '18-hydroxy-7a,8a-epoxy-9-epi-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]34[CH2:6][C@H:7]1O[C@:8]12[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:19])[CH2:18]O', '[H][C@]34C[C@H]1O[C@]12C[C@@](C)(C=C)CC[C@]2([H])[C@]3(C)CCC[C@]4(C)CO', '[H][C@:35]34[CH2:22][C@H:60]1O[C@:61]12[CH2:47][C@@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:36][CH2:23][C@:49]2([H])[C@:36]3([CH3:25])[CH2:37][CH2:18][CH2:36][C@:38]4([CH3:18])[CH2:72]O', '24 27 H 15.41 -13.24 H 16.67 -11.11 C:16 21.57 -8.04 C:17 20.00 -7.50 C:19 13.12 -13.96 C:20 15.41 -9.41 O 14.70 -15.39 C:15 20.56 -9.05 C:18 15.12 -14.05 C:2 12.92 -10.86 C:12 17.92 -7.98 C:3 12.92 -12.29 C:11 16.67 -8.69 C:1 14.15 -10.14 C:6 16.67 -13.01 C:14 19.14 -10.14 O 19.14 -11.57 C:7 17.92 -12.29 C:13 19.14 -8.69 C:5 15.41 -12.29 C:9 16.67 -10.14 C:4 14.15 -13.01 C:10 15.41 -10.86 C:8 17.92 -10.86 20 1 -1 21 2 -2 3 8 2 19 4 -1 22 5 -2 23 6 -2 7 9 1 19 8 -2 22 9 -1 10 12 1 10 14 1 11 13 1 11 19 1 12 22 1 13 21 1 14 23 1 15 18 1 15 20 1 16 19 1 16 24 1 18 17 -2 24 17 -2 18 24 1 20 22 1 20 23 1 21 23 1 21 24 1', '24 27 H 15.41 -13.24 H 16.67 -11.11 C 21.57 -8.04 C 20.00 -7.50 C 13.12 -13.96 C 15.41 -9.41 O 14.70 -15.39 C 20.56 -9.05 C 15.12 -14.05 C 12.92 -10.86 C 17.92 -7.98 C 12.92 -12.29 C 16.67 -8.69 C 14.15 -10.14 C 16.67 -13.01 C 19.14 -10.14 O 19.14 -11.57 C 17.92 -12.29 C 19.14 -8.69 C 15.41 -12.29 C 16.67 -10.14 C 14.15 -13.01 C 15.41 -10.86 C 17.92 -10.86 20 1 -1 21 2 -2 3 8 2 19 4 -1 22 5 -2 23 6 -2 7 9 1 19 8 -2 22 9 -1 10 12 1 10 14 1 11 13 1 11 19 1 12 22 1 13 21 1 14 23 1 15 18 1 15 20 1 16 19 1 16 24 1 18 17 -2 24 17 -2 18 24 1 20 22 1 20 23 1 21 23 1 21 24 1', '24 27 H 15.41 -13.24 H 16.67 -11.11 C:110 21.57 -8.04 C:22 20.00 -7.50 C:18 13.12 -13.96 C:25 15.41 -9.41 O 14.70 -15.39 C:149 20.56 -9.05 C:72 15.12 -14.05 C:18 12.92 -10.86 C:36 17.92 -7.98 C:36 12.92 -12.29 C:23 16.67 -8.69 C:37 14.15 -10.14 C:22 16.67 -13.01 C:47 19.14 -10.14 O 19.14 -11.57 C:60 17.92 -12.29 C:38 19.14 -8.69 C:35 15.41 -12.29 C:49 16.67 -10.14 C:38 14.15 -13.01 C:36 15.41 -10.86 C:61 17.92 -10.86 20 1 -1 21 2 -2 3 8 2 19 4 -1 22 5 -2 23 6 -2 7 9 1 19 8 -2 22 9 -1 10 12 1 10 14 1 11 13 1 11 19 1 12 22 1 13 21 1 14 23 1 15 18 1 15 20 1 16 19 1 16 24 1 18 17 -2 24 17 -2 18 24 1 20 22 1 20 23 1 21 23 1 21 24 1', 'C20H32O2', 304.229, 'C', 'ph53_395_3', 3823, '', '', '1', 47, NULL, NULL),
(15130, '', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C@:8]12O[C@@H:7]2[CH2:6][C@:5]4([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@]13CC[C@](C)(C=C)C[C@]12O[C@@H]2C[C@]4([H])[C@@](C)(COC(C)=O)CCC[C@@]34C', '[H][C@:49]13[CH2:23][CH2:36][C@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:47][C@:61]12O[C@@H:60]2[CH2:22][C@:36]4([H])[C@@:37]([CH3:18])([CH2:73]O[C:9999]([CH3:9999])=O)[CH2:37][CH2:17][CH2:37][C@@:36]34[CH3:24]', '27 30 H 16.68 -9.88 H 15.42 -12.02 C:16 21.58 -6.81 C:18002 15.24 -16.53 C:17 20.01 -6.27 C:19 13.13 -12.74 C:20 15.42 -8.18 O 17.01 -14.89 C:15 20.57 -7.82 C:2 12.93 -9.63 C:12 17.93 -6.75 C:3 12.93 -11.07 C:11 16.68 -7.46 C:1 14.16 -8.91 C:18 15.13 -12.83 C:6 16.68 -11.79 C:14 19.15 -8.91 O 14.71 -14.17 O 19.15 -10.35 C:18001 15.65 -15.20 C:7 17.93 -11.07 C:13 19.15 -7.46 C:9 16.68 -8.91 C:5 15.42 -11.07 C:4 14.16 -11.79 C:10 15.42 -9.63 C:8 17.93 -9.63 23 1 -2 24 2 -1 3 9 2 4 20 1 22 5 -1 25 6 -2 26 7 -2 8 20 2 22 9 -2 10 12 1 10 14 1 11 13 1 11 22 1 12 25 1 13 23 1 14 26 1 15 18 1 25 15 -1 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 21 19 -2 27 19 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 16.68 -9.88 H 15.42 -12.02 C 21.58 -6.81 C 15.24 -16.53 C 20.01 -6.27 C 13.13 -12.74 C 15.42 -8.18 O 17.01 -14.89 C 20.57 -7.82 C 12.93 -9.63 C 17.93 -6.75 C 12.93 -11.07 C 16.68 -7.46 C 14.16 -8.91 C 15.13 -12.83 C 16.68 -11.79 C 19.15 -8.91 O 14.71 -14.17 O 19.15 -10.35 C 15.65 -15.20 C 17.93 -11.07 C 19.15 -7.46 C 16.68 -8.91 C 15.42 -11.07 C 14.16 -11.79 C 15.42 -9.63 C 17.93 -9.63 23 1 -2 24 2 -1 3 9 2 4 20 1 22 5 -1 25 6 -2 26 7 -2 8 20 2 22 9 -2 10 12 1 10 14 1 11 13 1 11 22 1 12 25 1 13 23 1 14 26 1 15 18 1 25 15 -1 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 21 19 -2 27 19 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', '27 30 H 16.68 -9.88 H 15.42 -12.02 C:110 21.58 -6.81 C 15.24 -16.53 C:22 20.01 -6.27 C:18 13.13 -12.74 C:24 15.42 -8.18 O 17.01 -14.89 C:149 20.57 -7.82 C:17 12.93 -9.63 C:36 17.93 -6.75 C:37 12.93 -11.07 C:23 16.68 -7.46 C:37 14.16 -8.91 C:73 15.13 -12.83 C:22 16.68 -11.79 C:47 19.15 -8.91 O 14.71 -14.17 O 19.15 -10.35 C 15.65 -15.20 C:60 17.93 -11.07 C:38 19.15 -7.46 C:49 16.68 -8.91 C:36 15.42 -11.07 C:37 14.16 -11.79 C:36 15.42 -9.63 C:61 17.93 -9.63 23 1 -2 24 2 -1 3 9 2 4 20 1 22 5 -1 25 6 -2 26 7 -2 8 20 2 22 9 -2 10 12 1 10 14 1 11 13 1 11 22 1 12 25 1 13 23 1 14 26 1 15 18 1 25 15 -1 16 21 1 16 24 1 17 22 1 17 27 1 18 20 1 21 19 -2 27 19 -2 21 27 1 23 26 1 23 27 1 24 25 1 24 26 1', 'C22H34O3', 346.249, 'C', 'ph53_395_4', 3823, '', '', '1', 47, NULL, NULL),
(15131, '', '18-Acetoxy-7-oxo-9-epi-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:8]13[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[C@@:5]2([H])[CH2:6][C:7]3=O', '[H][C@]13C[C@@](C)(C=C)CC[C@]1([H])[C@]2(C)CCC[C@](C)(COC(C)=O)[C@@]2([H])CC3=O', '[H][C@:53]13[CH2:38][C@@:37]([CH3:22])([CH:150]=[CH2:110])[CH2:36][CH2:24][C@:45]1([H])[C@:36]2([CH3:25])[CH2:37][CH2:18][CH2:37][C@:36]([CH3:18])([CH2:73]O[C:9999]([CH3:9999])=O)[C@@:42]2([H])[CH2:36][C:214]3=O', '28 30 H 17.93 -8.60 H 16.68 -9.86 H 15.42 -12.02 C:16 21.63 -6.75 C:18002 15.24 -16.59 C:17 20.03 -6.22 C:19 13.09 -12.75 C:20 15.42 -8.14 O 17.03 -14.94 O 19.15 -11.78 C:15 20.60 -7.77 C:2 12.89 -9.61 C:12 17.93 -6.69 C:3 12.89 -11.06 C:11 16.68 -7.41 C:1 14.14 -8.87 C:18 15.12 -12.85 C:6 16.68 -11.78 C:14 19.15 -8.87 O 14.70 -14.20 C:18001 15.65 -15.24 C:7 17.93 -11.06 C:13 19.15 -7.41 C:8 17.93 -9.61 C:9 16.68 -8.87 C:5 15.42 -11.06 C:4 14.14 -11.78 C:10 15.42 -9.61 24 1 -1 25 2 -2 26 3 -1 4 11 2 5 21 1 23 6 -1 27 7 -2 28 8 -2 9 21 2 10 22 2 23 11 -2 12 14 1 12 16 1 13 15 1 13 23 1 14 27 1 15 25 1 16 28 1 17 20 1 27 17 -1 18 22 1 18 26 1 19 23 1 19 24 1 20 21 1 22 24 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 30 H 17.93 -8.60 H 16.68 -9.86 H 15.42 -12.02 C 21.63 -6.75 C 15.24 -16.59 C 20.03 -6.22 C 13.09 -12.75 C 15.42 -8.14 O 17.03 -14.94 O 19.15 -11.78 C 20.60 -7.77 C 12.89 -9.61 C 17.93 -6.69 C 12.89 -11.06 C 16.68 -7.41 C 14.14 -8.87 C 15.12 -12.85 C 16.68 -11.78 C 19.15 -8.87 O 14.70 -14.20 C 15.65 -15.24 C 17.93 -11.06 C 19.15 -7.41 C 17.93 -9.61 C 16.68 -8.87 C 15.42 -11.06 C 14.14 -11.78 C 15.42 -9.61 24 1 -1 25 2 -2 26 3 -1 4 11 2 5 21 1 23 6 -1 27 7 -2 28 8 -2 9 21 2 10 22 2 23 11 -2 12 14 1 12 16 1 13 15 1 13 23 1 14 27 1 15 25 1 16 28 1 17 20 1 27 17 -1 18 22 1 18 26 1 19 23 1 19 24 1 20 21 1 22 24 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 30 H 17.93 -8.60 H 16.68 -9.86 H 15.42 -12.02 C:110 21.63 -6.75 C 15.24 -16.59 C:22 20.03 -6.22 C:18 13.09 -12.75 C:25 15.42 -8.14 O 17.03 -14.94 O 19.15 -11.78 C:150 20.60 -7.77 C:18 12.89 -9.61 C:36 17.93 -6.69 C:37 12.89 -11.06 C:24 16.68 -7.41 C:37 14.14 -8.87 C:73 15.12 -12.85 C:36 16.68 -11.78 C:38 19.15 -8.87 O 14.70 -14.20 C 15.65 -15.24 C:214 17.93 -11.06 C:37 19.15 -7.41 C:53 17.93 -9.61 C:45 16.68 -8.87 C:42 15.42 -11.06 C:36 14.14 -11.78 C:36 15.42 -9.61 24 1 -1 25 2 -2 26 3 -1 4 11 2 5 21 1 23 6 -1 27 7 -2 28 8 -2 9 21 2 10 22 2 23 11 -2 12 14 1 12 16 1 13 15 1 13 23 1 14 27 1 15 25 1 16 28 1 17 20 1 27 17 -1 18 22 1 18 26 1 19 23 1 19 24 1 20 21 1 22 24 1 24 25 1 25 28 1 26 27 1 26 28 1', 'C22H34O3', 346.257, 'C', 'ph53_395_6', 3823, '', '', '1', 47, NULL, NULL),
(15132, '', '6b,18-Dihydroxy-7a,8a-epoxy-9-epi-ent-pimara-15-ene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]13[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14][C@:8]12O[C@@H:7]2[C@@H:6](O)[C@:5]4([H])[C@@:4]([CH3:19])([CH2:18]O)[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@]13CC[C@](C)(C=C)C[C@]12O[C@@H]2[C@@H](O)[C@]4([H])[C@@](C)(CO)CCC[C@@]34C', '[H][C@:49]13[CH2:22][CH2:36][C@:38]([CH3:22])([CH:149]=[CH2:110])[CH2:45][C@:61]12O[C@@H:62]2[C@@H:70](O)[C@:45]4([H])[C@@:37]([CH3:18])([CH2:74]O)[CH2:37][CH2:17][CH2:37][C@@:35]34[CH3:26]', '25 28 H 16.66 -11.07 H 15.38 -13.21 C:16 21.55 -8.01 C:17 19.98 -7.47 C:19 13.09 -13.93 C:20 15.38 -9.38 O 14.67 -15.36 O 16.66 -14.38 C:15 20.54 -9.02 C:18 15.09 -14.02 C:2 12.89 -10.82 C:12 17.90 -7.95 C:3 12.89 -12.26 C:11 16.66 -8.66 C:1 14.12 -10.11 C:14 19.12 -10.11 O 19.12 -11.54 C:6 16.66 -12.98 C:7 17.90 -12.26 C:13 19.12 -8.66 C:9 16.66 -10.11 C:4 14.12 -12.98 C:5 15.38 -12.26 C:10 15.38 -10.82 C:8 17.90 -10.82 21 1 -2 23 2 -1 3 9 2 20 4 -1 22 5 -2 24 6 -2 7 10 1 18 8 -1 20 9 -2 22 10 -1 11 13 1 11 15 1 12 14 1 12 20 1 13 22 1 14 21 1 15 24 1 16 20 1 16 25 1 19 17 -2 25 17 -2 18 19 1 18 23 1 19 25 1 21 24 1 21 25 1 22 23 1 23 24 1', '25 28 H 16.66 -11.07 H 15.38 -13.21 C 21.55 -8.01 C 19.98 -7.47 C 13.09 -13.93 C 15.38 -9.38 O 14.67 -15.36 O 16.66 -14.38 C 20.54 -9.02 C 15.09 -14.02 C 12.89 -10.82 C 17.90 -7.95 C 12.89 -12.26 C 16.66 -8.66 C 14.12 -10.11 C 19.12 -10.11 O 19.12 -11.54 C 16.66 -12.98 C 17.90 -12.26 C 19.12 -8.66 C 16.66 -10.11 C 14.12 -12.98 C 15.38 -12.26 C 15.38 -10.82 C 17.90 -10.82 21 1 -2 23 2 -1 3 9 2 20 4 -1 22 5 -2 24 6 -2 7 10 1 18 8 -1 20 9 -2 22 10 -1 11 13 1 11 15 1 12 14 1 12 20 1 13 22 1 14 21 1 15 24 1 16 20 1 16 25 1 19 17 -2 25 17 -2 18 19 1 18 23 1 19 25 1 21 24 1 21 25 1 22 23 1 23 24 1', '25 28 H 16.66 -11.07 H 15.38 -13.21 C:110 21.55 -8.01 C:22 19.98 -7.47 C:18 13.09 -13.93 C:26 15.38 -9.38 O 14.67 -15.36 O 16.66 -14.38 C:149 20.54 -9.02 C:74 15.09 -14.02 C:17 12.89 -10.82 C:36 17.90 -7.95 C:37 12.89 -12.26 C:22 16.66 -8.66 C:37 14.12 -10.11 C:45 19.12 -10.11 O 19.12 -11.54 C:70 16.66 -12.98 C:62 17.90 -12.26 C:38 19.12 -8.66 C:49 16.66 -10.11 C:37 14.12 -12.98 C:45 15.38 -12.26 C:35 15.38 -10.82 C:61 17.90 -10.82 21 1 -2 23 2 -1 3 9 2 20 4 -1 22 5 -2 24 6 -2 7 10 1 18 8 -1 20 9 -2 22 10 -1 11 13 1 11 15 1 12 14 1 12 20 1 13 22 1 14 21 1 15 24 1 16 20 1 16 25 1 19 17 -2 25 17 -2 18 19 1 18 23 1 19 25 1 21 24 1 21 25 1 22 23 1 23 24 1', 'C20H32O3', 320.228, 'C', 'ph53_395_7', 3823, '', '', '1', 47, NULL, NULL),
(15133, '', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]34[CH2:6][C@H:7]1O[C@:8]12[CH2:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][CH2:11][C@@:9]2(O)[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:19])[CH2:18]O[C:18001]([CH3:18002])=O', '[H][C@]34C[C@H]1O[C@]12C[C@@](C)(C=C)CC[C@@]2(O)[C@]3(C)CCC[C@]4(C)COC(C)=O', '[H][C@:39]34[CH2:22][C@H:64]1O[C@:63]12[CH2:42][C@@:38]([CH3:21])([CH:149]=[CH2:110])[CH2:32][CH2:29][C@@:75]2(O)[C@:41]3([CH3:16])[CH2:33][CH2:17][CH2:36][C@:37]4([CH3:18])[CH2:72]O[C:9999]([CH3:9999])=O', '27 30 H 15.40 -12.03 C:16 21.51 -6.87 C:18002 15.22 -16.49 C:17 19.95 -6.34 C:19 13.14 -12.74 C:20 15.40 -8.23 O 16.99 -14.87 O 16.67 -10.33 C:15 20.51 -7.87 C:2 12.94 -9.65 C:3 12.94 -11.09 C:1 14.16 -8.95 C:12 17.90 -6.81 C:11 16.67 -7.51 C:18 15.12 -12.83 C:6 16.67 -11.80 C:14 19.10 -8.95 O 14.70 -14.15 O 19.10 -10.33 C:18001 15.63 -15.17 C:7 17.90 -11.09 C:13 19.10 -7.51 C:5 15.40 -11.09 C:4 14.16 -11.80 C:10 15.40 -9.65 C:9 16.67 -8.95 C:8 17.90 -9.65 23 1 -1 2 9 2 3 20 1 22 4 -1 24 5 -2 25 6 -2 7 20 2 26 8 -1 22 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 26 1 15 18 1 24 15 -1 16 21 1 16 23 1 17 22 1 17 27 1 18 20 1 21 19 -2 27 19 -2 21 27 1 23 24 1 23 25 1 25 26 1 26 27 1', '27 30 H 15.40 -12.03 C 21.51 -6.87 C 15.22 -16.49 C 19.95 -6.34 C 13.14 -12.74 C 15.40 -8.23 O 16.99 -14.87 O 16.67 -10.33 C 20.51 -7.87 C 12.94 -9.65 C 12.94 -11.09 C 14.16 -8.95 C 17.90 -6.81 C 16.67 -7.51 C 15.12 -12.83 C 16.67 -11.80 C 19.10 -8.95 O 14.70 -14.15 O 19.10 -10.33 C 15.63 -15.17 C 17.90 -11.09 C 19.10 -7.51 C 15.40 -11.09 C 14.16 -11.80 C 15.40 -9.65 C 16.67 -8.95 C 17.90 -9.65 23 1 -1 2 9 2 3 20 1 22 4 -1 24 5 -2 25 6 -2 7 20 2 26 8 -1 22 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 26 1 15 18 1 24 15 -1 16 21 1 16 23 1 17 22 1 17 27 1 18 20 1 21 19 -2 27 19 -2 21 27 1 23 24 1 23 25 1 25 26 1 26 27 1', '27 30 H 15.40 -12.03 C:110 21.51 -6.87 C 15.22 -16.49 C:21 19.95 -6.34 C:18 13.14 -12.74 C:16 15.40 -8.23 O 16.99 -14.87 O 16.67 -10.33 C:149 20.51 -7.87 C:17 12.94 -9.65 C:36 12.94 -11.09 C:33 14.16 -8.95 C:32 17.90 -6.81 C:29 16.67 -7.51 C:72 15.12 -12.83 C:22 16.67 -11.80 C:42 19.10 -8.95 O 14.70 -14.15 O 19.10 -10.33 C 15.63 -15.17 C:64 17.90 -11.09 C:38 19.10 -7.51 C:39 15.40 -11.09 C:37 14.16 -11.80 C:41 15.40 -9.65 C:75 16.67 -8.95 C:63 17.90 -9.65 23 1 -1 2 9 2 3 20 1 22 4 -1 24 5 -2 25 6 -2 7 20 2 26 8 -1 22 9 -2 10 11 1 10 12 1 11 24 1 12 25 1 13 14 1 13 22 1 14 26 1 15 18 1 24 15 -1 16 21 1 16 23 1 17 22 1 17 27 1 18 20 1 21 19 -2 27 19 -2 21 27 1 23 24 1 23 25 1 25 26 1 26 27 1', 'C22H34O4', 362.241, 'C', 'ph53_395_10', 3823, '', '', '1', 47, NULL, NULL),
(15134, '', '6b,14a,18-Trihydroxy-9-epi-ent-pimara-7,15-diene', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[C@H:14](O)[C:8]1=[CH:7][C@@H:6](O)[C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)[C@H](O)C1=C[C@@H](O)[C@]3([H])[C@@](C)(CO)CCC[C@@]23C', '[H][C@:48]12[CH2:24][CH2:30][C@:43]([CH3:23])([CH:146]=[CH2:115])[C@H:80](O)[C:140]1=[CH:126][C@@H:68](O)[C@:46]3([H])[C@@:38]([CH3:19])([CH2:75]O)[CH2:38][CH2:18][CH2:37][C@@:36]23[CH3:23]', '25 27 H 16.69 -11.09 H 15.41 -13.24 C:16 21.59 -8.02 C:17 20.01 -7.48 C:19 13.12 -13.96 C:20 15.41 -9.39 O 14.70 -15.39 O 16.69 -14.41 O 20.35 -10.84 C:15 20.57 -9.03 C:7 17.93 -12.29 C:18 15.12 -14.05 C:2 12.92 -10.84 C:3 12.92 -12.29 C:11 16.69 -8.67 C:12 17.93 -7.96 C:1 14.15 -10.13 C:8 17.93 -10.84 C:6 16.69 -13.01 C:14 19.15 -10.13 C:9 16.69 -10.13 C:13 19.15 -8.67 C:4 14.15 -13.01 C:5 15.41 -12.29 C:10 15.41 -10.84 21 1 -2 24 2 -1 3 10 2 22 4 -1 23 5 -2 25 6 -2 7 12 1 19 8 -1 20 9 -2 22 10 -2 11 18 2 11 19 1 23 12 -1 13 14 1 13 17 1 14 23 1 15 16 1 15 21 1 16 22 1 17 25 1 18 20 1 18 21 1 19 24 1 20 22 1 21 25 1 23 24 1 24 25 1', '25 27 H 16.69 -11.09 H 15.41 -13.24 C 21.59 -8.02 C 20.01 -7.48 C 13.12 -13.96 C 15.41 -9.39 O 14.70 -15.39 O 16.69 -14.41 O 20.35 -10.84 C 20.57 -9.03 C 17.93 -12.29 C 15.12 -14.05 C 12.92 -10.84 C 12.92 -12.29 C 16.69 -8.67 C 17.93 -7.96 C 14.15 -10.13 C 17.93 -10.84 C 16.69 -13.01 C 19.15 -10.13 C 16.69 -10.13 C 19.15 -8.67 C 14.15 -13.01 C 15.41 -12.29 C 15.41 -10.84 21 1 -2 24 2 -1 3 10 2 22 4 -1 23 5 -2 25 6 -2 7 12 1 19 8 -1 20 9 -2 22 10 -2 11 18 2 11 19 1 23 12 -1 13 14 1 13 17 1 14 23 1 15 16 1 15 21 1 16 22 1 17 25 1 18 20 1 18 21 1 19 24 1 20 22 1 21 25 1 23 24 1 24 25 1', '25 27 H 16.69 -11.09 H 15.41 -13.24 C:115 21.59 -8.02 C:23 20.01 -7.48 C:19 13.12 -13.96 C:23 15.41 -9.39 O 14.70 -15.39 O 16.69 -14.41 O 20.35 -10.84 C:146 20.57 -9.03 C:126 17.93 -12.29 C:75 15.12 -14.05 C:18 12.92 -10.84 C:38 12.92 -12.29 C:24 16.69 -8.67 C:30 17.93 -7.96 C:37 14.15 -10.13 C:140 17.93 -10.84 C:68 16.69 -13.01 C:80 19.15 -10.13 C:48 16.69 -10.13 C:43 19.15 -8.67 C:38 14.15 -13.01 C:46 15.41 -12.29 C:36 15.41 -10.84 21 1 -2 24 2 -1 3 10 2 22 4 -1 23 5 -2 25 6 -2 7 12 1 19 8 -1 20 9 -2 22 10 -2 11 18 2 11 19 1 23 12 -1 13 14 1 13 17 1 14 23 1 15 16 1 15 21 1 16 22 1 17 25 1 18 20 1 18 21 1 19 24 1 20 22 1 21 25 1 23 24 1 24 25 1', 'C20H32O3', 320.228, 'C', 'ph53_395_11', 3823, '', '', '1', 47, NULL, NULL),
(15135, '', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[C@H:14](O[C:14001]([CH3:14002])=O)[C:8]1=[CH:7][C@@H:6](O[C:6001]([CH3:6002])=O)[C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@]12CC[C@](C)(C=C)[C@H](OC(C)=O)C1=C[C@@H](OC(C)=O)[C@]3([H])[C@@](C)(COC(C)=O)CCC[C@@]23C', '[H][C@:47]12[CH2:24][CH2:29][C@:42]([CH3:23])([CH:145]=[CH2:112])[C@H:81](O[C:9999]([CH3:9999])=O)[C:138]1=[CH:125][C@@H:71](O[C:9999]([CH3:9999])=O)[C@:40]3([H])[C@@:36]([CH3:19])([CH2:74]O[C:9999]([CH3:9999])=O)[CH2:38][CH2:18][CH2:37][C@@:36]23[CH3:23]', '34 36 H 16.70 -9.92 H 15.42 -12.07 C:16 21.60 -6.85 C:18002 15.23 -16.59 C:6002 17.91 -15.35 C:14002 21.55 -11.77 C:17 20.01 -6.31 C:19 13.13 -12.79 C:20 15.42 -8.22 O 17.02 -14.95 O 19.13 -13.24 O 19.13 -11.77 C:15 20.58 -7.86 C:7 17.91 -11.12 C:2 12.93 -9.67 C:3 12.93 -11.12 C:11 16.70 -7.50 C:1 14.16 -8.96 C:12 17.91 -6.79 C:18 15.13 -12.88 O 14.71 -14.23 O 16.70 -13.24 O 20.34 -9.67 C:18001 15.65 -15.26 C:6001 17.91 -13.95 C:14001 20.34 -11.12 C:8 17.91 -9.67 C:6 16.70 -11.84 C:14 19.13 -8.96 C:9 16.70 -8.96 C:13 19.13 -7.50 C:4 14.16 -11.84 C:5 15.42 -11.12 C:10 15.42 -9.67 30 1 -2 33 2 -1 3 13 2 4 24 1 5 25 1 6 26 1 31 7 -1 32 8 -2 34 9 -2 10 24 2 11 25 2 12 26 2 31 13 -2 14 27 2 14 28 1 15 16 1 15 18 1 16 32 1 17 19 1 17 30 1 18 34 1 19 31 1 20 21 1 32 20 -1 21 24 1 22 25 1 28 22 -1 23 26 1 29 23 -2 27 29 1 27 30 1 28 33 1 29 31 1 30 34 1 32 33 1 33 34 1', '34 36 H 16.70 -9.92 H 15.42 -12.07 C 21.60 -6.85 C 15.23 -16.59 C 17.91 -15.35 C 21.55 -11.77 C 20.01 -6.31 C 13.13 -12.79 C 15.42 -8.22 O 17.02 -14.95 O 19.13 -13.24 O 19.13 -11.77 C 20.58 -7.86 C 17.91 -11.12 C 12.93 -9.67 C 12.93 -11.12 C 16.70 -7.50 C 14.16 -8.96 C 17.91 -6.79 C 15.13 -12.88 O 14.71 -14.23 O 16.70 -13.24 O 20.34 -9.67 C 15.65 -15.26 C 17.91 -13.95 C 20.34 -11.12 C 17.91 -9.67 C 16.70 -11.84 C 19.13 -8.96 C 16.70 -8.96 C 19.13 -7.50 C 14.16 -11.84 C 15.42 -11.12 C 15.42 -9.67 30 1 -2 33 2 -1 3 13 2 4 24 1 5 25 1 6 26 1 31 7 -1 32 8 -2 34 9 -2 10 24 2 11 25 2 12 26 2 31 13 -2 14 27 2 14 28 1 15 16 1 15 18 1 16 32 1 17 19 1 17 30 1 18 34 1 19 31 1 20 21 1 32 20 -1 21 24 1 22 25 1 28 22 -1 23 26 1 29 23 -2 27 29 1 27 30 1 28 33 1 29 31 1 30 34 1 32 33 1 33 34 1', '34 36 H 16.70 -9.92 H 15.42 -12.07 C:112 21.60 -6.85 C 15.23 -16.59 C 17.91 -15.35 C 21.55 -11.77 C:23 20.01 -6.31 C:19 13.13 -12.79 C:23 15.42 -8.22 O 17.02 -14.95 O 19.13 -13.24 O 19.13 -11.77 C:145 20.58 -7.86 C:125 17.91 -11.12 C:18 12.93 -9.67 C:38 12.93 -11.12 C:24 16.70 -7.50 C:37 14.16 -8.96 C:29 17.91 -6.79 C:74 15.13 -12.88 O 14.71 -14.23 O 16.70 -13.24 O 20.34 -9.67 C 15.65 -15.26 C 17.91 -13.95 C 20.34 -11.12 C:138 17.91 -9.67 C:71 16.70 -11.84 C:81 19.13 -8.96 C:47 16.70 -8.96 C:42 19.13 -7.50 C:36 14.16 -11.84 C:40 15.42 -11.12 C:36 15.42 -9.67 30 1 -2 33 2 -1 3 13 2 4 24 1 5 25 1 6 26 1 31 7 -1 32 8 -2 34 9 -2 10 24 2 11 25 2 12 26 2 31 13 -2 14 27 2 14 28 1 15 16 1 15 18 1 16 32 1 17 19 1 17 30 1 18 34 1 19 31 1 20 21 1 32 20 -1 21 24 1 22 25 1 28 22 -1 23 26 1 29 23 -2 27 29 1 27 30 1 28 33 1 29 31 1 30 34 1 32 33 1 33 34 1', 'C26H38O6', 446.29, 'C', 'ph53_395_12', 3823, '', '', '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
(15136, '', 'Ent-18-Acetoxy-8(14)-pimarane-15S,16-diol', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([C@@H:15](O)[CH2:16]O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)([C@@H](O)CO)C=C1CC[C@]3([H])[C@@](C)(COC(C)=O)CCC[C@@]23C', '[H][C@@:51]12[CH2:18][CH2:29][C@:37]([CH3:23])([C@@H:79](O)[CH2:63]O)[CH:127]=[C:140]1[CH2:36][CH2:22][C@:49]3([H])[C@@:38]([CH3:18])([CH2:73]O[C:171]([CH3:21])=O)[CH2:36][CH2:19][CH2:39][C@@:38]23[CH3:15]', '28 30 H 16.02 -9.94 H 14.76 -12.08 C:18002 14.62 -16.56 C:17 19.35 -6.33 C:19 12.46 -12.81 C:20 14.76 -8.23 O 16.38 -14.91 O 22.26 -7.22 O 20.28 -9.20 C:14 18.51 -8.96 C:16 20.93 -6.86 C:2 12.26 -9.69 C:7 17.28 -11.13 C:3 12.26 -11.13 C:1 13.50 -8.96 C:12 17.28 -6.80 C:11 16.02 -7.51 C:6 16.02 -11.85 C:18 14.48 -12.90 O 14.07 -14.22 C:18001 15.02 -15.23 C:8 17.28 -9.69 C:15 19.91 -7.86 C:13 18.51 -7.51 C:9 16.02 -8.96 C:4 13.50 -11.85 C:5 14.76 -11.13 C:10 14.76 -9.69 25 1 -1 27 2 -1 3 21 1 24 4 -1 26 5 -2 28 6 -2 7 21 2 8 11 1 23 9 -2 10 22 2 10 24 1 11 23 1 12 14 1 12 15 1 13 18 1 13 22 1 14 26 1 15 28 1 16 17 1 16 24 1 17 25 1 18 27 1 19 20 1 26 19 -1 20 21 1 22 25 1 23 24 1 25 28 1 26 27 1 27 28 1', '28 30 H 16.02 -9.94 H 14.76 -12.08 C 14.62 -16.56 C 19.35 -6.33 C 12.46 -12.81 C 14.76 -8.23 O 16.38 -14.91 O 22.26 -7.22 O 20.28 -9.20 C 18.51 -8.96 C 20.93 -6.86 C 12.26 -9.69 C 17.28 -11.13 C 12.26 -11.13 C 13.50 -8.96 C 17.28 -6.80 C 16.02 -7.51 C 16.02 -11.85 C 14.48 -12.90 O 14.07 -14.22 C 15.02 -15.23 C 17.28 -9.69 C 19.91 -7.86 C 18.51 -7.51 C 16.02 -8.96 C 13.50 -11.85 C 14.76 -11.13 C 14.76 -9.69 25 1 -1 27 2 -1 3 21 1 24 4 -1 26 5 -2 28 6 -2 7 21 2 8 11 1 23 9 -2 10 22 2 10 24 1 11 23 1 12 14 1 12 15 1 13 18 1 13 22 1 14 26 1 15 28 1 16 17 1 16 24 1 17 25 1 18 27 1 19 20 1 26 19 -1 20 21 1 22 25 1 23 24 1 25 28 1 26 27 1 27 28 1', '28 30 H 16.02 -9.94 H 14.76 -12.08 C:21 14.62 -16.56 C:23 19.35 -6.33 C:18 12.46 -12.81 C:15 14.76 -8.23 O 16.38 -14.91 O 22.26 -7.22 O 20.28 -9.20 C:127 18.51 -8.96 C:63 20.93 -6.86 C:19 12.26 -9.69 C:36 17.28 -11.13 C:36 12.26 -11.13 C:39 13.50 -8.96 C:29 17.28 -6.80 C:18 16.02 -7.51 C:22 16.02 -11.85 C:73 14.48 -12.90 O 14.07 -14.22 C:171 15.02 -15.23 C:140 17.28 -9.69 C:79 19.91 -7.86 C:37 18.51 -7.51 C:51 16.02 -8.96 C:38 13.50 -11.85 C:49 14.76 -11.13 C:38 14.76 -9.69 25 1 -1 27 2 -1 3 21 1 24 4 -1 26 5 -2 28 6 -2 7 21 2 8 11 1 23 9 -2 10 22 2 10 24 1 11 23 1 12 14 1 12 15 1 13 18 1 13 22 1 14 26 1 15 28 1 16 17 1 16 24 1 17 25 1 18 27 1 19 20 1 26 19 -1 20 21 1 22 25 1 23 24 1 25 28 1 26 27 1 27 28 1', 'C22H36O4', 364.249, 'C', 'ph57_131_1', 3824, '', '', '1', 47, NULL, NULL),
(15137, '', 'Ent-18-Acetoxy-16-hydroxy-8(14)-piramen-15-one', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([C:15](=O)[CH2:16]O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C(=O)CO)C=C1CC[C@]3([H])[C@@](C)(COC(C)=O)CCC[C@@]23C', '[H][C@@:50]12[CH2:18][CH2:31][C@:47]([CH3:24])([C:214](=O)[CH2:65]O)[CH:123]=[C:141]1[CH2:37][CH2:22][C@:49]3([H])[C@@:38]([CH3:18])([CH2:73]O[C:171]([CH3:21])=O)[CH2:36][CH2:18][CH2:39][C@@:38]23[CH3:16]', '28 30 H 16.02 -9.94 H 14.76 -12.08 C:18002 14.62 -16.56 C:17 19.35 -6.33 C:19 12.46 -12.81 C:20 14.76 -8.23 O 16.38 -14.91 O 20.28 -9.20 O 22.26 -7.22 C:14 18.51 -8.96 C:16 20.93 -6.86 C:2 12.26 -9.69 C:7 17.28 -11.13 C:3 12.26 -11.13 C:1 13.50 -8.96 C:12 17.28 -6.80 C:6 16.02 -11.85 C:11 16.02 -7.51 C:18 14.48 -12.90 O 14.07 -14.22 C:18001 15.02 -15.23 C:15 19.91 -7.86 C:8 17.28 -9.69 C:13 18.51 -7.51 C:9 16.02 -8.96 C:4 13.50 -11.85 C:5 14.76 -11.13 C:10 14.76 -9.69 25 1 -1 27 2 -1 3 21 1 24 4 -1 26 5 -2 28 6 -2 7 21 2 8 22 2 9 11 1 10 23 2 10 24 1 11 22 1 12 14 1 12 15 1 13 17 1 13 23 1 14 26 1 15 28 1 16 18 1 16 24 1 17 27 1 18 25 1 19 20 1 26 19 -1 20 21 1 24 22 -2 23 25 1 25 28 1 26 27 1 27 28 1', '28 30 H 16.02 -9.94 H 14.76 -12.08 C 14.62 -16.56 C 19.35 -6.33 C 12.46 -12.81 C 14.76 -8.23 O 16.38 -14.91 O 20.28 -9.20 O 22.26 -7.22 C 18.51 -8.96 C 20.93 -6.86 C 12.26 -9.69 C 17.28 -11.13 C 12.26 -11.13 C 13.50 -8.96 C 17.28 -6.80 C 16.02 -11.85 C 16.02 -7.51 C 14.48 -12.90 O 14.07 -14.22 C 15.02 -15.23 C 19.91 -7.86 C 17.28 -9.69 C 18.51 -7.51 C 16.02 -8.96 C 13.50 -11.85 C 14.76 -11.13 C 14.76 -9.69 25 1 -1 27 2 -1 3 21 1 24 4 -1 26 5 -2 28 6 -2 7 21 2 8 22 2 9 11 1 10 23 2 10 24 1 11 22 1 12 14 1 12 15 1 13 17 1 13 23 1 14 26 1 15 28 1 16 18 1 16 24 1 17 27 1 18 25 1 19 20 1 26 19 -1 20 21 1 24 22 -2 23 25 1 25 28 1 26 27 1 27 28 1', '28 30 H 16.02 -9.94 H 14.76 -12.08 C:21 14.62 -16.56 C:24 19.35 -6.33 C:18 12.46 -12.81 C:16 14.76 -8.23 O 16.38 -14.91 O 20.28 -9.20 O 22.26 -7.22 C:123 18.51 -8.96 C:65 20.93 -6.86 C:18 12.26 -9.69 C:37 17.28 -11.13 C:36 12.26 -11.13 C:39 13.50 -8.96 C:31 17.28 -6.80 C:22 16.02 -11.85 C:18 16.02 -7.51 C:73 14.48 -12.90 O 14.07 -14.22 C:171 15.02 -15.23 C:214 19.91 -7.86 C:141 17.28 -9.69 C:47 18.51 -7.51 C:50 16.02 -8.96 C:38 13.50 -11.85 C:49 14.76 -11.13 C:38 14.76 -9.69 25 1 -1 27 2 -1 3 21 1 24 4 -1 26 5 -2 28 6 -2 7 21 2 8 22 2 9 11 1 10 23 2 10 24 1 11 22 1 12 14 1 12 15 1 13 17 1 13 23 1 14 26 1 15 28 1 16 18 1 16 24 1 17 27 1 18 25 1 19 20 1 26 19 -1 20 21 1 24 22 -2 23 25 1 25 28 1 26 27 1 27 28 1', 'C22H34O4', 362.249, 'C', 'ph57_131_2', 3824, '', '', '1', 47, NULL, NULL),
(15138, '', 'Ent-16,18-Dihydroxy-8(14)-pimaren-15-one', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([C:15](=O)[CH2:16]O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH2:18]O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@](C)(C(=O)CO)C=C1CC[C@]3([H])[C@@](C)(CO)CCC[C@@]23C', '[H][C@@:50]12[CH2:18][CH2:31][C@:47]([CH3:24])([C:214](=O)[CH2:65]O)[CH:123]=[C:141]1[CH2:36][CH2:22][C@:48]3([H])[C@@:38]([CH3:18])([CH2:72]O)[CH2:35][CH2:18][CH2:39][C@@:38]23[CH3:16]', '25 27 H 16.01 -11.11 H 14.75 -13.25 C:17 19.34 -7.50 C:19 12.45 -13.98 C:20 14.75 -9.40 O 20.27 -10.37 O 22.25 -8.39 O 14.06 -15.39 C:14 18.50 -10.13 C:16 20.92 -8.03 C:18 14.47 -14.07 C:2 12.25 -10.86 C:7 17.27 -12.30 C:3 12.25 -12.30 C:6 16.01 -13.02 C:1 13.49 -10.13 C:12 17.27 -7.97 C:11 16.01 -8.68 C:15 19.90 -9.03 C:8 17.27 -10.86 C:13 18.50 -8.68 C:9 16.01 -10.13 C:5 14.75 -12.30 C:4 13.49 -13.02 C:10 14.75 -10.86 22 1 -1 23 2 -1 21 3 -1 24 4 -2 25 5 -2 6 19 2 7 10 1 8 11 1 9 20 2 9 21 1 10 19 1 24 11 -1 12 14 1 12 16 1 13 15 1 13 20 1 14 24 1 15 23 1 16 25 1 17 18 1 17 21 1 18 22 1 21 19 -2 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.01 -11.11 H 14.75 -13.25 C 19.34 -7.50 C 12.45 -13.98 C 14.75 -9.40 O 20.27 -10.37 O 22.25 -8.39 O 14.06 -15.39 C 18.50 -10.13 C 20.92 -8.03 C 14.47 -14.07 C 12.25 -10.86 C 17.27 -12.30 C 12.25 -12.30 C 16.01 -13.02 C 13.49 -10.13 C 17.27 -7.97 C 16.01 -8.68 C 19.90 -9.03 C 17.27 -10.86 C 18.50 -8.68 C 16.01 -10.13 C 14.75 -12.30 C 13.49 -13.02 C 14.75 -10.86 22 1 -1 23 2 -1 21 3 -1 24 4 -2 25 5 -2 6 19 2 7 10 1 8 11 1 9 20 2 9 21 1 10 19 1 24 11 -1 12 14 1 12 16 1 13 15 1 13 20 1 14 24 1 15 23 1 16 25 1 17 18 1 17 21 1 18 22 1 21 19 -2 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 16.01 -11.11 H 14.75 -13.25 C:24 19.34 -7.50 C:18 12.45 -13.98 C:16 14.75 -9.40 O 20.27 -10.37 O 22.25 -8.39 O 14.06 -15.39 C:123 18.50 -10.13 C:65 20.92 -8.03 C:72 14.47 -14.07 C:18 12.25 -10.86 C:36 17.27 -12.30 C:35 12.25 -12.30 C:22 16.01 -13.02 C:39 13.49 -10.13 C:31 17.27 -7.97 C:18 16.01 -8.68 C:214 19.90 -9.03 C:141 17.27 -10.86 C:47 18.50 -8.68 C:50 16.01 -10.13 C:48 14.75 -12.30 C:38 13.49 -13.02 C:38 14.75 -10.86 22 1 -1 23 2 -1 21 3 -1 24 4 -2 25 5 -2 6 19 2 7 10 1 8 11 1 9 20 2 9 21 1 10 19 1 24 11 -1 12 14 1 12 16 1 13 15 1 13 20 1 14 24 1 15 23 1 16 25 1 17 18 1 17 21 1 18 22 1 21 19 -2 20 22 1 22 25 1 23 24 1 23 25 1', 'C20H32O3', 320.228, 'C', 'ph57_131_3', 3824, '', '', '1', 47, NULL, NULL),
(15139, '', 'Ent-19-Nor-4,16,18-trihydroxy-8(14)-pimaren-15-one', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@:13]([CH3:17])([C:15](=O)[CH2:16]O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3(O)[CH2:18]O', '[H][C@@]12CC[C@](C)(C(=O)CO)C=C1CC[C@@]3([H])[C@@]2(C)CCC[C@]3(O)CO', '[H][C@@:50]12[CH2:20][CH2:31][C@:47]([CH3:24])([C:214](=O)[CH2:65]O)[CH:123]=[C:140]1[CH2:36][CH2:21][C@@:55]3([H])[C@@:39]2([CH3:16])[CH2:39][CH2:19][CH2:36][C@:74]3(O)[CH2:63]O', '25 27 H 15.99 -11.09 H 14.72 -13.23 C:17 19.32 -7.50 C:20 14.72 -9.39 O 20.25 -10.35 O 22.22 -8.38 O 14.04 -15.37 O 12.43 -13.96 C:14 18.48 -10.12 C:16 20.90 -7.97 C:18 14.45 -14.05 C:2 12.23 -10.84 C:7 17.25 -12.28 C:12 17.25 -7.97 C:1 13.47 -10.12 C:3 12.23 -12.28 C:11 15.99 -8.67 C:6 15.99 -13.00 C:15 19.88 -9.02 C:8 17.25 -10.84 C:13 18.48 -8.67 C:9 15.99 -10.12 C:5 14.72 -12.28 C:10 14.72 -10.84 C:4 13.47 -13.00 22 1 -1 23 2 -1 21 3 -1 24 4 -2 5 19 2 6 10 1 7 11 1 25 8 -2 9 20 2 9 21 1 10 19 1 25 11 -1 12 15 1 12 16 1 13 18 1 13 20 1 14 17 1 14 21 1 15 24 1 16 25 1 17 22 1 18 23 1 21 19 -2 20 22 1 22 24 1 23 24 1 23 25 1', '25 27 H 15.99 -11.09 H 14.72 -13.23 C 19.32 -7.50 C 14.72 -9.39 O 20.25 -10.35 O 22.22 -8.38 O 14.04 -15.37 O 12.43 -13.96 C 18.48 -10.12 C 20.90 -7.97 C 14.45 -14.05 C 12.23 -10.84 C 17.25 -12.28 C 17.25 -7.97 C 13.47 -10.12 C 12.23 -12.28 C 15.99 -8.67 C 15.99 -13.00 C 19.88 -9.02 C 17.25 -10.84 C 18.48 -8.67 C 15.99 -10.12 C 14.72 -12.28 C 14.72 -10.84 C 13.47 -13.00 22 1 -1 23 2 -1 21 3 -1 24 4 -2 5 19 2 6 10 1 7 11 1 25 8 -2 9 20 2 9 21 1 10 19 1 25 11 -1 12 15 1 12 16 1 13 18 1 13 20 1 14 17 1 14 21 1 15 24 1 16 25 1 17 22 1 18 23 1 21 19 -2 20 22 1 22 24 1 23 24 1 23 25 1', '25 27 H 15.99 -11.09 H 14.72 -13.23 C:24 19.32 -7.50 C:16 14.72 -9.39 O 20.25 -10.35 O 22.22 -8.38 O 14.04 -15.37 O 12.43 -13.96 C:123 18.48 -10.12 C:65 20.90 -7.97 C:63 14.45 -14.05 C:19 12.23 -10.84 C:36 17.25 -12.28 C:31 17.25 -7.97 C:39 13.47 -10.12 C:36 12.23 -12.28 C:20 15.99 -8.67 C:21 15.99 -13.00 C:214 19.88 -9.02 C:140 17.25 -10.84 C:47 18.48 -8.67 C:50 15.99 -10.12 C:55 14.72 -12.28 C:39 14.72 -10.84 C:74 13.47 -13.00 22 1 -1 23 2 -1 21 3 -1 24 4 -2 5 19 2 6 10 1 7 11 1 25 8 -2 9 20 2 9 21 1 10 19 1 25 11 -1 12 15 1 12 16 1 13 18 1 13 20 1 14 17 1 14 21 1 15 24 1 16 25 1 17 22 1 18 23 1 21 19 -2 20 22 1 22 24 1 23 24 1 23 25 1', 'C19H30O4', 322.217, 'C', 'ph57_131_4', 3824, '', '', '1', 47, NULL, NULL),
(15140, 'Sphaeropsidin D', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:5]12[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@@:10]14[C:20](=O)O[C@@:6]2(O)[C:7](=O)[C:8]3=[CH:14][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][C@@H:11](O)[C@@:9]34O', '[H][C@]12[C@](C)(C)CCC[C@@]14C(=O)O[C@@]2(O)C(=O)C3=C[C@@](C)(C=C)C[C@@H](O)[C@@]34O', '[H][C@:51]12[C@:33]([CH3:23])([CH3:33])[CH2:41][CH2:19][CH2:26][C@@:59]14[C:175](=O)O[C@@:110]2(O)[C:193](=O)[C:132]3=[CH:152][C@@:40]([CH3:26])([CH:144]=[CH2:114])[CH2:41][C@@H:66](O)[C@@:73]34O', '27 30 H 15.49 -13.62 C:16 21.38 -8.61 C:19 13.28 -14.31 C:18 15.22 -14.40 C:17 19.88 -8.12 O 14.34 -9.13 O 19.07 -13.39 O 15.49 -8.51 O 16.71 -14.75 O 17.84 -9.86 C:15 20.42 -9.56 C:14 19.07 -10.61 C:2 13.10 -11.31 C:3 13.10 -12.70 C:1 14.28 -10.61 C:12 17.89 -8.51 O 16.71 -11.80 C:20 15.49 -9.93 C:7 17.89 -12.70 C:8 17.89 -11.31 C:11 16.71 -9.23 C:4 14.28 -13.39 C:13 19.07 -9.23 C:5 15.49 -12.70 C:6 16.71 -13.39 C:9 16.71 -10.61 C:10 15.49 -11.31 24 1 -2 2 11 2 22 3 -1 22 4 -2 23 5 -1 6 18 2 7 19 2 21 8 -2 25 9 -2 26 10 -2 23 11 -2 12 20 2 12 23 1 13 14 1 13 15 1 14 22 1 15 27 1 16 21 1 16 23 1 17 18 1 17 25 1 27 18 -1 19 20 1 19 25 1 20 26 1 21 26 1 22 24 1 24 25 1 24 27 1 26 27 1', '27 30 H 15.49 -13.62 C 21.38 -8.61 C 13.28 -14.31 C 15.22 -14.40 C 19.88 -8.12 O 14.34 -9.13 O 19.07 -13.39 O 15.49 -8.51 O 16.71 -14.75 O 17.84 -9.86 C 20.42 -9.56 C 19.07 -10.61 C 13.10 -11.31 C 13.10 -12.70 C 14.28 -10.61 C 17.89 -8.51 O 16.71 -11.80 C 15.49 -9.93 C 17.89 -12.70 C 17.89 -11.31 C 16.71 -9.23 C 14.28 -13.39 C 19.07 -9.23 C 15.49 -12.70 C 16.71 -13.39 C 16.71 -10.61 C 15.49 -11.31 24 1 -2 2 11 2 22 3 -1 22 4 -2 23 5 -1 6 18 2 7 19 2 21 8 -2 25 9 -2 26 10 -2 23 11 -2 12 20 2 12 23 1 13 14 1 13 15 1 14 22 1 15 27 1 16 21 1 16 23 1 17 18 1 17 25 1 27 18 -1 19 20 1 19 25 1 20 26 1 21 26 1 22 24 1 24 25 1 24 27 1 26 27 1', '27 30 H 15.49 -13.62 C:114 21.38 -8.61 C:23 13.28 -14.31 C:33 15.22 -14.40 C:26 19.88 -8.12 O 14.34 -9.13 O 19.07 -13.39 O 15.49 -8.51 O 16.71 -14.75 O 17.84 -9.86 C:144 20.42 -9.56 C:152 19.07 -10.61 C:19 13.10 -11.31 C:41 13.10 -12.70 C:26 14.28 -10.61 C:41 17.89 -8.51 O 16.71 -11.80 C:175 15.49 -9.93 C:193 17.89 -12.70 C:132 17.89 -11.31 C:66 16.71 -9.23 C:33 14.28 -13.39 C:40 19.07 -9.23 C:51 15.49 -12.70 C:110 16.71 -13.39 C:73 16.71 -10.61 C:59 15.49 -11.31 24 1 -2 2 11 2 22 3 -1 22 4 -2 23 5 -1 6 18 2 7 19 2 21 8 -2 25 9 -2 26 10 -2 23 11 -2 12 20 2 12 23 1 13 14 1 13 15 1 14 22 1 15 27 1 16 21 1 16 23 1 17 18 1 17 25 1 27 18 -1 19 20 1 19 25 1 20 26 1 21 26 1 22 24 1 24 25 1 24 27 1 26 27 1', 'C20H26O6', 362.218, 'C', 'ph59_817_4', 3825, '', '', '1', 47, NULL, NULL),
(15141, 'Sphaeropsidin E', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[CH2:6][C@@H:7](O)[C:8]1=[C:9]([C@@H:11](O)[CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[C@@H:14]1O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C[C@@H](O)C1=C([C@@H](O)C[C@](C)(C=C)[C@@H]1O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:46]23[CH2:29][C@@H:66](O)[C:133]1=[C:146]([C@@H:66](O)[CH2:41][C@:39]([CH3:22])([CH:145]=[CH2:113])[C@@H:73]1O)[C@@:59]2([CH3:22])[CH2:36][CH2:19][CH2:42][C@@:31]3([CH3:20])[CH3:33]', '24 26 H 15.42 -13.86 C:16 21.50 -8.71 C:19 13.14 -14.59 C:18 15.13 -14.67 C:17 19.95 -8.19 C:20 15.42 -10.07 O 19.09 -13.64 O 15.49 -8.66 O 20.30 -11.51 C:15 20.50 -9.70 C:2 12.95 -11.51 C:3 12.95 -12.93 C:1 14.17 -10.79 C:12 17.90 -8.66 C:6 16.66 -13.64 C:8 17.90 -11.51 C:9 16.66 -10.79 C:7 17.90 -12.93 C:11 16.66 -9.35 C:14 19.09 -10.79 C:4 14.17 -13.64 C:13 19.09 -9.35 C:5 15.42 -12.93 C:10 15.42 -11.51 23 1 -2 2 10 2 21 3 -1 21 4 -2 22 5 -1 24 6 -1 18 7 -2 19 8 -1 20 9 -2 22 10 -2 11 12 1 11 13 1 12 21 1 13 24 1 14 19 1 14 22 1 15 18 1 15 23 1 16 17 2 16 18 1 16 20 1 17 19 1 17 24 1 20 22 1 21 23 1 23 24 1', '24 26 H 15.42 -13.86 C 21.50 -8.71 C 13.14 -14.59 C 15.13 -14.67 C 19.95 -8.19 C 15.42 -10.07 O 19.09 -13.64 O 15.49 -8.66 O 20.30 -11.51 C 20.50 -9.70 C 12.95 -11.51 C 12.95 -12.93 C 14.17 -10.79 C 17.90 -8.66 C 16.66 -13.64 C 17.90 -11.51 C 16.66 -10.79 C 17.90 -12.93 C 16.66 -9.35 C 19.09 -10.79 C 14.17 -13.64 C 19.09 -9.35 C 15.42 -12.93 C 15.42 -11.51 23 1 -2 2 10 2 21 3 -1 21 4 -2 22 5 -1 24 6 -1 18 7 -2 19 8 -1 20 9 -2 22 10 -2 11 12 1 11 13 1 12 21 1 13 24 1 14 19 1 14 22 1 15 18 1 15 23 1 16 17 2 16 18 1 16 20 1 17 19 1 17 24 1 20 22 1 21 23 1 23 24 1', '24 26 H 15.42 -13.86 C:113 21.50 -8.71 C:20 13.14 -14.59 C:33 15.13 -14.67 C:22 19.95 -8.19 C:22 15.42 -10.07 O 19.09 -13.64 O 15.49 -8.66 O 20.30 -11.51 C:145 20.50 -9.70 C:19 12.95 -11.51 C:42 12.95 -12.93 C:36 14.17 -10.79 C:41 17.90 -8.66 C:29 16.66 -13.64 C:133 17.90 -11.51 C:146 16.66 -10.79 C:66 17.90 -12.93 C:66 16.66 -9.35 C:73 19.09 -10.79 C:31 14.17 -13.64 C:39 19.09 -9.35 C:46 15.42 -12.93 C:59 15.42 -11.51 23 1 -2 2 10 2 21 3 -1 21 4 -2 22 5 -1 24 6 -1 18 7 -2 19 8 -1 20 9 -2 22 10 -2 11 12 1 11 13 1 12 21 1 13 24 1 14 19 1 14 22 1 15 18 1 15 23 1 16 17 2 16 18 1 16 20 1 17 19 1 17 24 1 20 22 1 21 23 1 23 24 1', 'C20H32O3', 320.22, 'C', 'ph59_817_5', 3825, '', '', '1', 47, NULL, NULL),
(15142, '', '3b,20:14b,16-diepoxy-3a,15a-dihydroxy-7-pimaren-19,6b-olide', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@:6]45[CH:7]=[C:8]1[C@@:9]([H])([CH2:11][CH2:12][C@@:13]2([CH3:17])[C@H:15](O)[CH2:16]O[C@@:14]12[H])[C@:10]36[CH2:1][CH2:2][C@@:3](O)(O[CH2:20]3)[C@:4]([CH3:18])([C:19](=O)O4)[C@:5]56[H]', '[H][C@]45C=C1[C@@]([H])(CC[C@@]2(C)[C@H](O)CO[C@@]12[H])[C@]36CC[C@@](O)(OC3)[C@](C)(C(=O)O4)[C@]56[H]', '[H][C@:71]45[CH:116]=[C:146]1[C@@:36]([H])([CH2:25][CH2:32][C@@:48]2([CH3:15])[C@H:77](O)[CH2:75]O[C@@:85]12[H])[C@:30]36[CH2:28][CH2:28][C@@:96](O)(O[CH2:71]3)[C@:50]([CH3:18])([C:178](=O)O4)[C@:44]56[H]', '30 35 H 17.39 -12.31 H 17.39 -11.42 H 19.81 -11.48 H 16.15 -13.51 C:17 19.81 -7.64 C:18 13.63 -14.10 O 14.26 -15.58 O 21.59 -7.28 O 12.52 -13.25 C:7 18.60 -12.58 C:11 17.39 -9.05 C:12 18.60 -8.35 C:2 13.70 -11.19 C:1 14.92 -10.48 C:16 21.98 -9.76 C:20 16.15 -9.76 O 21.16 -10.90 O 14.92 -11.91 O 17.09 -14.64 C:19 15.27 -14.64 C:8 18.60 -11.19 C:15 21.16 -8.61 C:6 17.39 -13.25 C:9 17.39 -10.48 C:14 19.81 -10.48 C:13 19.81 -9.05 C:3 13.70 -12.58 C:4 14.92 -13.25 C:5 16.15 -12.58 C:10 16.15 -11.19 23 1 -2 24 2 -1 25 3 -2 29 4 -2 26 5 -2 28 6 -2 7 20 2 22 8 -2 27 9 -2 10 21 2 10 23 1 11 12 1 11 24 1 12 26 1 13 14 1 13 27 1 14 30 1 15 17 1 15 22 1 16 18 1 30 16 -1 17 25 1 18 27 1 19 20 1 19 23 1 20 28 1 21 24 1 21 25 1 22 26 1 23 29 1 24 30 1 25 26 1 27 28 1 28 29 1 29 30 1', '30 35 H 17.39 -12.31 H 17.39 -11.42 H 19.81 -11.48 H 16.15 -13.51 C 19.81 -7.64 C 13.63 -14.10 O 14.26 -15.58 O 21.59 -7.28 O 12.52 -13.25 C 18.60 -12.58 C 17.39 -9.05 C 18.60 -8.35 C 13.70 -11.19 C 14.92 -10.48 C 21.98 -9.76 C 16.15 -9.76 O 21.16 -10.90 O 14.92 -11.91 O 17.09 -14.64 C 15.27 -14.64 C 18.60 -11.19 C 21.16 -8.61 C 17.39 -13.25 C 17.39 -10.48 C 19.81 -10.48 C 19.81 -9.05 C 13.70 -12.58 C 14.92 -13.25 C 16.15 -12.58 C 16.15 -11.19 23 1 -2 24 2 -1 25 3 -2 29 4 -2 26 5 -2 28 6 -2 7 20 2 22 8 -2 27 9 -2 10 21 2 10 23 1 11 12 1 11 24 1 12 26 1 13 14 1 13 27 1 14 30 1 15 17 1 15 22 1 16 18 1 30 16 -1 17 25 1 18 27 1 19 20 1 19 23 1 20 28 1 21 24 1 21 25 1 22 26 1 23 29 1 24 30 1 25 26 1 27 28 1 28 29 1 29 30 1', '30 35 H 17.39 -12.31 H 17.39 -11.42 H 19.81 -11.48 H 16.15 -13.51 C:15 19.81 -7.64 C:18 13.63 -14.10 O 14.26 -15.58 O 21.59 -7.28 O 12.52 -13.25 C:116 18.60 -12.58 C:25 17.39 -9.05 C:32 18.60 -8.35 C:28 13.70 -11.19 C:28 14.92 -10.48 C:75 21.98 -9.76 C:71 16.15 -9.76 O 21.16 -10.90 O 14.92 -11.91 O 17.09 -14.64 C:178 15.27 -14.64 C:146 18.60 -11.19 C:77 21.16 -8.61 C:71 17.39 -13.25 C:36 17.39 -10.48 C:85 19.81 -10.48 C:48 19.81 -9.05 C:96 13.70 -12.58 C:50 14.92 -13.25 C:44 16.15 -12.58 C:30 16.15 -11.19 23 1 -2 24 2 -1 25 3 -2 29 4 -2 26 5 -2 28 6 -2 7 20 2 22 8 -2 27 9 -2 10 21 2 10 23 1 11 12 1 11 24 1 12 26 1 13 14 1 13 27 1 14 30 1 15 17 1 15 22 1 16 18 1 30 16 -1 17 25 1 18 27 1 19 20 1 19 23 1 20 28 1 21 24 1 21 25 1 22 26 1 23 29 1 24 30 1 25 26 1 27 28 1 28 29 1 29 30 1', 'C20H26O6', 362.242, 'D', 'ph53_955_2', 3826, '', '', '1', 47, NULL, NULL),
(15143, '', '3b,20-epoxy-3a,15,16-trihydroxy-7-pimaren-19,6b-olide', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@:6]34[CH:7]=[C:8]1[CH2:14][C@:13]([CH3:17])([CH:15](O)[CH2:16]O)[CH2:12][CH2:11][C@@:9]1([H])[C@:10]25[CH2:1][CH2:2][C@@:3](O)(O[CH2:20]2)[C@:4]([CH3:18])([C:19](=O)O3)[C@:5]45[H]', '[H][C@]34C=C1C[C@](C)(C(O)CO)CC[C@@]1([H])[C@]25CC[C@@](O)(OC2)[C@](C)(C(=O)O3)[C@]45[H]', '[H][C@:72]34[CH:114]=[C:146]1[CH2:44][C@:40]([CH3:18])([CH:79](O)[CH2:62]O)[CH2:34][CH2:24][C@@:42]1([H])[C@:30]25[CH2:28][CH2:28][C@@:96](O)(O[CH2:72]2)[C@:50]([CH3:18])([C:178](=O)O3)[C@:43]45[H]', '29 33 H 16.66 -12.00 H 16.66 -11.12 H 15.43 -13.20 C:17 19.90 -7.63 C:18 12.93 -13.78 O 13.55 -15.25 O 22.72 -8.50 O 20.80 -10.41 O 11.82 -12.94 C:7 17.87 -12.27 C:16 21.42 -8.14 C:12 17.87 -8.08 C:11 16.66 -8.77 C:2 13.00 -10.89 C:1 14.21 -10.18 C:20 15.43 -9.47 C:14 19.08 -10.18 O 14.21 -11.61 O 16.37 -14.32 C:19 14.56 -14.32 C:8 17.87 -10.89 C:15 20.43 -9.11 C:6 16.66 -12.94 C:13 19.08 -8.77 C:9 16.66 -10.18 C:3 13.00 -12.27 C:4 14.21 -12.94 C:5 15.43 -12.27 C:10 15.43 -10.89 23 1 -2 25 2 -1 28 3 -2 24 4 -2 27 5 -2 6 20 2 7 11 1 8 22 1 26 9 -2 10 21 2 10 23 1 11 22 1 12 13 1 12 24 1 13 25 1 14 15 1 14 26 1 15 29 1 16 18 1 29 16 -1 17 21 1 17 24 1 18 26 1 19 20 1 19 23 1 20 27 1 21 25 1 24 22 -1 23 28 1 25 29 1 26 27 1 27 28 1 28 29 1', '29 33 H 16.66 -12.00 H 16.66 -11.12 H 15.43 -13.20 C 19.90 -7.63 C 12.93 -13.78 O 13.55 -15.25 O 22.72 -8.50 O 20.80 -10.41 O 11.82 -12.94 C 17.87 -12.27 C 21.42 -8.14 C 17.87 -8.08 C 16.66 -8.77 C 13.00 -10.89 C 14.21 -10.18 C 15.43 -9.47 C 19.08 -10.18 O 14.21 -11.61 O 16.37 -14.32 C 14.56 -14.32 C 17.87 -10.89 C 20.43 -9.11 C 16.66 -12.94 C 19.08 -8.77 C 16.66 -10.18 C 13.00 -12.27 C 14.21 -12.94 C 15.43 -12.27 C 15.43 -10.89 23 1 -2 25 2 -1 28 3 -2 24 4 -2 27 5 -2 6 20 2 7 11 1 8 22 1 26 9 -2 10 21 2 10 23 1 11 22 1 12 13 1 12 24 1 13 25 1 14 15 1 14 26 1 15 29 1 16 18 1 29 16 -1 17 21 1 17 24 1 18 26 1 19 20 1 19 23 1 20 27 1 21 25 1 24 22 -1 23 28 1 25 29 1 26 27 1 27 28 1 28 29 1', '29 33 H 16.66 -12.00 H 16.66 -11.12 H 15.43 -13.20 C:18 19.90 -7.63 C:18 12.93 -13.78 O 13.55 -15.25 O 22.72 -8.50 O 20.80 -10.41 O 11.82 -12.94 C:114 17.87 -12.27 C:62 21.42 -8.14 C:34 17.87 -8.08 C:24 16.66 -8.77 C:28 13.00 -10.89 C:28 14.21 -10.18 C:72 15.43 -9.47 C:44 19.08 -10.18 O 14.21 -11.61 O 16.37 -14.32 C:178 14.56 -14.32 C:146 17.87 -10.89 C:79 20.43 -9.11 C:72 16.66 -12.94 C:40 19.08 -8.77 C:42 16.66 -10.18 C:96 13.00 -12.27 C:50 14.21 -12.94 C:43 15.43 -12.27 C:30 15.43 -10.89 23 1 -2 25 2 -1 28 3 -2 24 4 -2 27 5 -2 6 20 2 7 11 1 8 22 1 26 9 -2 10 21 2 10 23 1 11 22 1 12 13 1 12 24 1 13 25 1 14 15 1 14 26 1 15 29 1 16 18 1 29 16 -1 17 21 1 17 24 1 18 26 1 19 20 1 19 23 1 20 27 1 21 25 1 24 22 -1 23 28 1 25 29 1 26 27 1 27 28 1 28 29 1', 'C20H28O6', 364.234, 'D', 'ph53_955_3', 3826, '', '', '1', 47, NULL, NULL),
(15144, '', '7b-Hydroxypimara-8,15-dien-14-one', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:5]23[CH2:6][C@H:7](O)[C:8]1=[C:9]([CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[C:14]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23C[C@H](O)C1=C(CC[C@@](C)(C=C)C1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:46]23[CH2:28][C@H:63](O)[C:132]1=[C:170]([CH2:23][CH2:37][C@@:49]([CH3:24])([CH:142]=[CH2:115])[C:204]1=O)[C@@:41]2([CH3:18])[CH2:36][CH2:20][CH2:42][C@@:34]3([CH3:22])[CH3:33]', '23 25 H 15.44 -13.83 C:16 21.52 -8.69 C:19 13.16 -14.55 C:18 15.16 -14.64 C:17 19.97 -8.17 C:20 15.44 -10.04 O 20.32 -11.49 O 19.11 -13.60 C:15 20.51 -9.68 C:2 12.97 -11.49 C:11 16.68 -9.33 C:3 12.97 -12.90 C:12 17.92 -8.63 C:1 14.18 -10.77 C:6 16.68 -13.60 C:14 19.11 -10.77 C:8 17.92 -11.49 C:9 16.68 -10.77 C:7 17.92 -12.90 C:4 14.18 -13.60 C:13 19.11 -9.33 C:5 15.44 -12.90 C:10 15.44 -11.49 22 1 -2 2 9 2 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 16 2 19 8 -1 21 9 -1 10 12 1 10 14 1 11 13 1 11 18 1 12 20 1 13 21 1 14 23 1 15 19 1 15 22 1 16 17 1 16 21 1 17 18 2 17 19 1 18 23 1 20 22 1 22 23 1', '23 25 H 15.44 -13.83 C 21.52 -8.69 C 13.16 -14.55 C 15.16 -14.64 C 19.97 -8.17 C 15.44 -10.04 O 20.32 -11.49 O 19.11 -13.60 C 20.51 -9.68 C 12.97 -11.49 C 16.68 -9.33 C 12.97 -12.90 C 17.92 -8.63 C 14.18 -10.77 C 16.68 -13.60 C 19.11 -10.77 C 17.92 -11.49 C 16.68 -10.77 C 17.92 -12.90 C 14.18 -13.60 C 19.11 -9.33 C 15.44 -12.90 C 15.44 -11.49 22 1 -2 2 9 2 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 16 2 19 8 -1 21 9 -1 10 12 1 10 14 1 11 13 1 11 18 1 12 20 1 13 21 1 14 23 1 15 19 1 15 22 1 16 17 1 16 21 1 17 18 2 17 19 1 18 23 1 20 22 1 22 23 1', '23 25 H 15.44 -13.83 C:115 21.52 -8.69 C:22 13.16 -14.55 C:33 15.16 -14.64 C:24 19.97 -8.17 C:18 15.44 -10.04 O 20.32 -11.49 O 19.11 -13.60 C:142 20.51 -9.68 C:20 12.97 -11.49 C:23 16.68 -9.33 C:42 12.97 -12.90 C:37 17.92 -8.63 C:36 14.18 -10.77 C:28 16.68 -13.60 C:204 19.11 -10.77 C:132 17.92 -11.49 C:170 16.68 -10.77 C:63 17.92 -12.90 C:34 14.18 -13.60 C:49 19.11 -9.33 C:46 15.44 -12.90 C:41 15.44 -11.49 22 1 -2 2 9 2 20 3 -1 20 4 -2 21 5 -2 23 6 -1 7 16 2 19 8 -1 21 9 -1 10 12 1 10 14 1 11 13 1 11 18 1 12 20 1 13 21 1 14 23 1 15 19 1 15 22 1 16 17 1 16 21 1 17 18 2 17 19 1 18 23 1 20 22 1 22 23 1', 'C20H30O2', 302.221, 'C', 'ph64_897_6', 3827, '', '', '1', 47, NULL, NULL),
(15145, '3,4-Dehydropalicoside', '', 'Alkaloids', 'Ajmalicines', '', '[CH2:18]=[CH:19][C@@H:20]4[C@H:15]([CH2:14][C@H:3]3[c:2]2[nH][c:13]1[cH:12][cH:11][cH:10][cH:9][c:8]1[c:7]2[CH2:6][CH2:5]N3[CH3:4001])[C:16]([C:22](=O)O)=[CH:17]O[C@H:21]4O[C@@H:101]5O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]5O', 'C=C[C@@H]4[C@H](C[C@H]3c2nc1ccccc1c2CCN3C)C(C(=O)O)=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O', '[CH2:120]=[CH:136][C@@H:45]4[C@H:37]([CH2:9999][C@H:170]3[c:9999]2[nH][c:143]1[cH:115][cH:130][cH:123][cH:123][c:125]1[c:124]2[CH2:20][CH2:55]N3[CH3:43])[C:115]([C:174](=O)O)=[CH:151]O[C@H:97]4O[C@@H:101]5O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:78](O)[C@H:75]5O', '38 42 C:18 18.72 -9.59 C:4001 17.51 -8.89 O 15.09 -15.90 O 21.14 -16.56 O 13.86 -13.80 O 24.75 -11.71 O 24.75 -14.51 O 22.34 -10.31 C:19 17.51 -10.31 C:17 17.51 -14.51 C:11 9.75 -7.45 C:10 10.57 -6.32 C:12 10.32 -8.74 C:9 11.98 -6.47 C:106 22.34 -15.90 C:6 15.09 -7.45 C:5 16.29 -8.18 C:14 15.09 -11.71 N 12.54 -10.03 O 18.72 -13.80 O 21.14 -13.80 O 19.93 -11.71 C:22 15.09 -14.51 C:16 16.29 -13.80 C:7 13.86 -8.18 C:2 13.86 -9.59 C:13 11.72 -8.89 C:8 12.54 -7.75 C:103 23.54 -12.41 C:104 23.54 -13.80 C:102 22.34 -11.71 C:105 22.34 -14.51 C:20 17.51 -11.71 C:15 16.29 -12.41 C:101 21.14 -12.41 C:21 18.72 -12.41 C:3 15.09 -10.31 N 16.29 -9.59 1 9 2 2 38 1 3 23 2 4 15 1 5 23 1 29 6 -1 30 7 -2 31 8 -2 33 9 -1 10 20 1 10 24 2 11 12 1 11 13 2 12 14 2 13 27 1 14 28 1 32 15 -1 16 17 1 16 25 1 17 38 1 34 18 -1 37 18 -1 19 26 1 19 27 1 20 36 1 21 32 1 21 35 1 35 22 -1 36 22 -2 23 24 1 24 34 1 25 26 2 25 28 1 26 37 1 27 28 2 29 30 1 29 31 1 30 32 1 31 35 1 33 34 1 33 36 1 37 38 1', '38 42 C 18.72 -9.59 C 17.51 -8.89 O 15.09 -15.90 O 21.14 -16.56 O 13.86 -13.80 O 24.75 -11.71 O 24.75 -14.51 O 22.34 -10.31 C 17.51 -10.31 C 17.51 -14.51 C 9.75 -7.45 C 10.57 -6.32 C 10.32 -8.74 C 11.98 -6.47 C 22.34 -15.90 C 15.09 -7.45 C 16.29 -8.18 C 15.09 -11.71 N 12.54 -10.03 O 18.72 -13.80 O 21.14 -13.80 O 19.93 -11.71 C 15.09 -14.51 C 16.29 -13.80 C 13.86 -8.18 C 13.86 -9.59 C 11.72 -8.89 C 12.54 -7.75 C 23.54 -12.41 C 23.54 -13.80 C 22.34 -11.71 C 22.34 -14.51 C 17.51 -11.71 C 16.29 -12.41 C 21.14 -12.41 C 18.72 -12.41 C 15.09 -10.31 N 16.29 -9.59 1 9 2 2 38 1 3 23 2 4 15 1 5 23 1 29 6 -1 30 7 -2 31 8 -2 33 9 -1 10 20 1 10 24 2 11 12 1 11 13 2 12 14 2 13 27 1 14 28 1 32 15 -1 16 17 1 16 25 1 17 38 1 34 18 -1 37 18 -1 19 26 1 19 27 1 20 36 1 21 32 1 21 35 1 35 22 -1 36 22 -2 23 24 1 24 34 1 25 26 2 25 28 1 26 37 1 27 28 2 29 30 1 29 31 1 30 32 1 31 35 1 33 34 1 33 36 1 37 38 1', '38 42 C:120 18.72 -9.59 C:43 17.51 -8.89 O 15.09 -15.90 O 21.14 -16.56 O 13.86 -13.80 O 24.75 -11.71 O 24.75 -14.51 O 22.34 -10.31 C:136 17.51 -10.31 C:151 17.51 -14.51 C:130 9.75 -7.45 C:123 10.57 -6.32 C:115 10.32 -8.74 C:123 11.98 -6.47 C:63 22.34 -15.90 C:20 15.09 -7.45 C:55 16.29 -8.18 C 15.09 -11.71 N 12.54 -10.03 O 18.72 -13.80 O 21.14 -13.80 O 19.93 -11.71 C:174 15.09 -14.51 C:115 16.29 -13.80 C:124 13.86 -8.18 C 13.86 -9.59 C:143 11.72 -8.89 C:125 12.54 -7.75 C:78 23.54 -12.41 C:72 23.54 -13.80 C:75 22.34 -11.71 C:79 22.34 -14.51 C:45 17.51 -11.71 C:37 16.29 -12.41 C:101 21.14 -12.41 C:97 18.72 -12.41 C:170 15.09 -10.31 N 16.29 -9.59 1 9 2 2 38 1 3 23 2 4 15 1 5 23 1 29 6 -1 30 7 -2 31 8 -2 33 9 -1 10 20 1 10 24 2 11 12 1 11 13 2 12 14 2 13 27 1 14 28 1 32 15 -1 16 17 1 16 25 1 17 38 1 34 18 -1 37 18 -1 19 26 1 19 27 1 20 36 1 21 32 1 21 35 1 35 22 -1 36 22 -2 23 24 1 24 34 1 25 26 2 25 28 1 26 37 1 27 28 2 29 30 1 29 31 1 30 32 1 31 35 1 33 34 1 33 36 1 37 38 1', 'C27H33N2O9', 529.297, 'M', 'ph64_897_3', 3827, '', '', '1', 47, NULL, NULL),
(15146, '', '(1R,2R)-ent-1,2-dihydroxyisopimara-8(14),15-diene', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[CH2:3][C@@H:2](O)[C@H:1](O)[C@@:10]23[CH3:20]', '[H][C@@]12CC[C@@](C)(C=C)C=C1CC[C@]3([H])[C@](C)(C)C[C@@H](O)[C@H](O)[C@@]23C', '[H][C@@:52]12[CH2:22][CH2:35][C@@:37]([CH3:26])([CH:149]=[CH2:110])[CH:130]=[C:136]1[CH2:36][CH2:22][C@:54]3([H])[C@:34]([CH3:33])([CH3:23])[CH2:47][C@@H:70](O)[C@H:84](O)[C@@:44]23[CH3:10]', '24 26 H 17.29 -11.73 H 16.03 -13.86 C:16 22.19 -8.64 C:18 15.75 -14.67 C:19 13.73 -14.58 C:17 20.62 -8.12 C:20 16.03 -10.02 O 12.33 -10.80 O 14.76 -9.36 C:15 21.17 -9.65 C:14 19.78 -10.80 C:7 18.54 -12.91 C:12 18.54 -8.58 C:11 17.29 -9.30 C:6 17.29 -13.63 C:3 13.53 -12.91 C:8 18.54 -11.48 C:2 13.53 -11.48 C:1 14.76 -10.80 C:4 14.76 -13.63 C:13 19.78 -9.30 C:9 17.29 -10.80 C:5 16.03 -12.91 C:10 16.03 -11.48 22 1 -1 23 2 -1 3 10 2 20 4 -1 20 5 -2 21 6 -2 24 7 -2 18 8 -1 19 9 -2 21 10 -1 11 17 2 11 21 1 12 15 1 12 17 1 13 14 1 13 21 1 14 22 1 15 23 1 16 18 1 16 20 1 17 22 1 18 19 1 19 24 1 20 23 1 22 24 1 23 24 1', '24 26 H 17.29 -11.73 H 16.03 -13.86 C 22.19 -8.64 C 15.75 -14.67 C 13.73 -14.58 C 20.62 -8.12 C 16.03 -10.02 O 12.33 -10.80 O 14.76 -9.36 C 21.17 -9.65 C 19.78 -10.80 C 18.54 -12.91 C 18.54 -8.58 C 17.29 -9.30 C 17.29 -13.63 C 13.53 -12.91 C 18.54 -11.48 C 13.53 -11.48 C 14.76 -10.80 C 14.76 -13.63 C 19.78 -9.30 C 17.29 -10.80 C 16.03 -12.91 C 16.03 -11.48 22 1 -1 23 2 -1 3 10 2 20 4 -1 20 5 -2 21 6 -2 24 7 -2 18 8 -1 19 9 -2 21 10 -1 11 17 2 11 21 1 12 15 1 12 17 1 13 14 1 13 21 1 14 22 1 15 23 1 16 18 1 16 20 1 17 22 1 18 19 1 19 24 1 20 23 1 22 24 1 23 24 1', '24 26 H 17.29 -11.73 H 16.03 -13.86 C:110 22.19 -8.64 C:33 15.75 -14.67 C:23 13.73 -14.58 C:26 20.62 -8.12 C:10 16.03 -10.02 O 12.33 -10.80 O 14.76 -9.36 C:149 21.17 -9.65 C:130 19.78 -10.80 C:36 18.54 -12.91 C:35 18.54 -8.58 C:22 17.29 -9.30 C:22 17.29 -13.63 C:47 13.53 -12.91 C:136 18.54 -11.48 C:70 13.53 -11.48 C:84 14.76 -10.80 C:34 14.76 -13.63 C:37 19.78 -9.30 C:52 17.29 -10.80 C:54 16.03 -12.91 C:44 16.03 -11.48 22 1 -1 23 2 -1 3 10 2 20 4 -1 20 5 -2 21 6 -2 24 7 -2 18 8 -1 19 9 -2 21 10 -1 11 17 2 11 21 1 12 15 1 12 17 1 13 14 1 13 21 1 14 22 1 15 23 1 16 18 1 16 20 1 17 22 1 18 19 1 19 24 1 20 23 1 22 24 1 23 24 1', 'C20H32O2', 304.229, 'C', 'ph64_1319_2', 3828, '', '', '1', 47, NULL, NULL),
(15147, '', '(2R)-ent-2-Hydroxyisopimara-8(14),15-diene', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[CH2:3][C@@H:2](O)[CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@@](C)(C=C)C=C1CC[C@]3([H])[C@@](C)(C)C[C@@H](O)C[C@@]23C', '[H][C@@:51]12[CH2:19][CH2:35][C@@:37]([CH3:26])([CH:149]=[CH2:110])[CH:129]=[C:136]1[CH2:36][CH2:22][C@:54]3([H])[C@@:35]([CH3:23])([CH3:34])[CH2:51][C@@H:65](O)[CH2:49][C@@:40]23[CH3:16]', '23 25 H 17.27 -11.76 H 16.01 -13.89 C:16 22.19 -8.66 C:19 13.71 -14.61 C:18 15.73 -14.70 C:17 20.61 -8.14 C:20 16.01 -10.05 O 12.30 -10.83 C:15 21.17 -9.68 C:14 19.77 -10.83 C:7 18.52 -12.94 C:12 18.52 -8.60 C:6 17.27 -13.66 C:11 17.27 -9.33 C:3 13.51 -12.94 C:1 14.74 -10.83 C:8 18.52 -11.51 C:2 13.51 -11.51 C:4 14.74 -13.66 C:13 19.77 -9.33 C:9 17.27 -10.83 C:5 16.01 -12.94 C:10 16.01 -11.51 21 1 -1 22 2 -1 3 9 2 19 4 -2 19 5 -1 20 6 -2 23 7 -2 18 8 -1 20 9 -1 10 17 2 10 20 1 11 13 1 11 17 1 12 14 1 12 20 1 13 22 1 14 21 1 15 18 1 15 19 1 16 18 1 16 23 1 17 21 1 19 22 1 21 23 1 22 23 1', '23 25 H 17.27 -11.76 H 16.01 -13.89 C 22.19 -8.66 C 13.71 -14.61 C 15.73 -14.70 C 20.61 -8.14 C 16.01 -10.05 O 12.30 -10.83 C 21.17 -9.68 C 19.77 -10.83 C 18.52 -12.94 C 18.52 -8.60 C 17.27 -13.66 C 17.27 -9.33 C 13.51 -12.94 C 14.74 -10.83 C 18.52 -11.51 C 13.51 -11.51 C 14.74 -13.66 C 19.77 -9.33 C 17.27 -10.83 C 16.01 -12.94 C 16.01 -11.51 21 1 -1 22 2 -1 3 9 2 19 4 -2 19 5 -1 20 6 -2 23 7 -2 18 8 -1 20 9 -1 10 17 2 10 20 1 11 13 1 11 17 1 12 14 1 12 20 1 13 22 1 14 21 1 15 18 1 15 19 1 16 18 1 16 23 1 17 21 1 19 22 1 21 23 1 22 23 1', '23 25 H 17.27 -11.76 H 16.01 -13.89 C:110 22.19 -8.66 C:23 13.71 -14.61 C:34 15.73 -14.70 C:26 20.61 -8.14 C:16 16.01 -10.05 O 12.30 -10.83 C:149 21.17 -9.68 C:129 19.77 -10.83 C:36 18.52 -12.94 C:35 18.52 -8.60 C:22 17.27 -13.66 C:19 17.27 -9.33 C:51 13.51 -12.94 C:49 14.74 -10.83 C:136 18.52 -11.51 C:65 13.51 -11.51 C:35 14.74 -13.66 C:37 19.77 -9.33 C:51 17.27 -10.83 C:54 16.01 -12.94 C:40 16.01 -11.51 21 1 -1 22 2 -1 3 9 2 19 4 -2 19 5 -1 20 6 -2 23 7 -2 18 8 -1 20 9 -1 10 17 2 10 20 1 11 13 1 11 17 1 12 14 1 12 20 1 13 22 1 14 21 1 15 18 1 15 19 1 16 18 1 16 23 1 17 21 1 19 22 1 21 23 1 22 23 1', 'C20H32O', 288.229, 'C', 'ph64_1319_3', 3828, '', '', '1', 47, NULL, NULL),
(15148, '', '', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[CH2:3][C@@H:2](O[C:2001]([CH3:2002])=O)[C@H:1](O[C:1001]([CH3:1002])=O)[C@@:10]23[CH3:20]', '[H][C@@]12CC[C@@](C)(C=C)C=C1CC[C@]3([H])[C@@](C)(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]23C', '[H][C@@:51]12[CH2:20][CH2:35][C@@:37]([CH3:25])([CH:149]=[CH2:110])[CH:131]=[C:135]1[CH2:36][CH2:22][C@:54]3([H])[C@@:34]([CH3:23])([CH3:33])[CH2:45][C@@H:71](O[C:171]([CH3:22])=O)[C@H:81](O[C:171]([CH3:21])=O)[C@@:44]23[CH3:11]', '30 32 H 18.51 -12.16 H 17.25 -14.29 C:16 23.43 -9.05 C:2002 11.11 -11.16 C:1002 14.75 -7.76 C:17 21.85 -8.53 C:19 14.95 -15.01 C:18 16.97 -15.10 C:20 17.25 -10.44 O 12.34 -13.29 O 13.54 -9.87 C:15 22.41 -10.07 C:14 21.00 -11.22 C:7 19.76 -13.34 C:12 19.76 -8.99 C:6 18.51 -14.06 C:11 18.51 -9.72 C:3 14.75 -13.34 O 13.54 -11.22 O 15.97 -9.87 C:2001 12.34 -11.89 C:1001 14.75 -9.16 C:8 19.76 -11.89 C:2 14.75 -11.89 C:1 15.97 -11.22 C:13 21.00 -9.72 C:4 15.97 -14.06 C:9 18.51 -11.22 C:5 17.25 -13.34 C:10 17.25 -11.89 28 1 -1 29 2 -1 3 12 2 4 21 1 5 22 1 26 6 -2 27 7 -2 27 8 -1 30 9 -2 10 21 2 11 22 2 26 12 -1 13 23 2 13 26 1 14 16 1 14 23 1 15 17 1 15 26 1 16 29 1 17 28 1 18 24 1 18 27 1 19 21 1 24 19 -1 20 22 1 25 20 -2 23 28 1 24 25 1 25 30 1 27 29 1 28 30 1 29 30 1', '30 32 H 18.51 -12.16 H 17.25 -14.29 C 23.43 -9.05 C 11.11 -11.16 C 14.75 -7.76 C 21.85 -8.53 C 14.95 -15.01 C 16.97 -15.10 C 17.25 -10.44 O 12.34 -13.29 O 13.54 -9.87 C 22.41 -10.07 C 21.00 -11.22 C 19.76 -13.34 C 19.76 -8.99 C 18.51 -14.06 C 18.51 -9.72 C 14.75 -13.34 O 13.54 -11.22 O 15.97 -9.87 C 12.34 -11.89 C 14.75 -9.16 C 19.76 -11.89 C 14.75 -11.89 C 15.97 -11.22 C 21.00 -9.72 C 15.97 -14.06 C 18.51 -11.22 C 17.25 -13.34 C 17.25 -11.89 28 1 -1 29 2 -1 3 12 2 4 21 1 5 22 1 26 6 -2 27 7 -2 27 8 -1 30 9 -2 10 21 2 11 22 2 26 12 -1 13 23 2 13 26 1 14 16 1 14 23 1 15 17 1 15 26 1 16 29 1 17 28 1 18 24 1 18 27 1 19 21 1 24 19 -1 20 22 1 25 20 -2 23 28 1 24 25 1 25 30 1 27 29 1 28 30 1 29 30 1', '30 32 H 18.51 -12.16 H 17.25 -14.29 C:110 23.43 -9.05 C:22 11.11 -11.16 C:21 14.75 -7.76 C:25 21.85 -8.53 C:23 14.95 -15.01 C:33 16.97 -15.10 C:11 17.25 -10.44 O 12.34 -13.29 O 13.54 -9.87 C:149 22.41 -10.07 C:131 21.00 -11.22 C:36 19.76 -13.34 C:35 19.76 -8.99 C:22 18.51 -14.06 C:20 18.51 -9.72 C:45 14.75 -13.34 O 13.54 -11.22 O 15.97 -9.87 C:171 12.34 -11.89 C:171 14.75 -9.16 C:135 19.76 -11.89 C:71 14.75 -11.89 C:81 15.97 -11.22 C:37 21.00 -9.72 C:34 15.97 -14.06 C:51 18.51 -11.22 C:54 17.25 -13.34 C:44 17.25 -11.89 28 1 -1 29 2 -1 3 12 2 4 21 1 5 22 1 26 6 -2 27 7 -2 27 8 -1 30 9 -2 10 21 2 11 22 2 26 12 -1 13 23 2 13 26 1 14 16 1 14 23 1 15 17 1 15 26 1 16 29 1 17 28 1 18 24 1 18 27 1 19 21 1 24 19 -1 20 22 1 25 20 -2 23 28 1 24 25 1 25 30 1 27 29 1 28 30 1 29 30 1', 'C24H36O4', 388.27, 'C', 'ph64_1319_4', 3828, '', '', '1', 47, NULL, NULL),
(15149, '', 'ent-8(14),15-isopimaradien-2-one', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[CH2:3][C:2](=O)[CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@@](C)(C=C)C=C1CC[C@]3([H])[C@](C)(C)CC(=O)C[C@@]23C', '[H][C@@:50]12[CH2:19][CH2:34][C@@:37]([CH3:26])([CH:149]=[CH2:111])[CH:130]=[C:136]1[CH2:36][CH2:23][C@:55]3([H])[C@:40]([CH3:34])([CH3:23])[CH2:56][C:212](=O)[CH2:54][C@@:44]23[CH3:15]', '23 25 H 17.27 -11.76 H 16.01 -13.89 C:16 22.18 -8.65 C:18 15.73 -14.70 C:19 13.71 -14.61 C:17 20.60 -8.13 C:20 16.01 -10.04 O 12.30 -10.82 C:15 21.16 -9.67 C:14 19.75 -10.82 C:7 18.51 -12.94 C:12 18.51 -8.59 C:6 17.27 -13.66 C:11 17.27 -9.32 C:3 13.51 -12.94 C:1 14.73 -10.82 C:2 13.51 -11.49 C:8 18.51 -11.49 C:4 14.73 -13.66 C:13 19.75 -9.32 C:9 17.27 -10.82 C:5 16.01 -12.94 C:10 16.01 -11.49 21 1 -1 22 2 -1 3 9 2 19 4 -1 19 5 -2 20 6 -2 23 7 -2 8 17 2 20 9 -1 10 18 2 10 20 1 11 13 1 11 18 1 12 14 1 12 20 1 13 22 1 14 21 1 15 17 1 15 19 1 16 17 1 16 23 1 18 21 1 19 22 1 21 23 1 22 23 1', '23 25 H 17.27 -11.76 H 16.01 -13.89 C 22.18 -8.65 C 15.73 -14.70 C 13.71 -14.61 C 20.60 -8.13 C 16.01 -10.04 O 12.30 -10.82 C 21.16 -9.67 C 19.75 -10.82 C 18.51 -12.94 C 18.51 -8.59 C 17.27 -13.66 C 17.27 -9.32 C 13.51 -12.94 C 14.73 -10.82 C 13.51 -11.49 C 18.51 -11.49 C 14.73 -13.66 C 19.75 -9.32 C 17.27 -10.82 C 16.01 -12.94 C 16.01 -11.49 21 1 -1 22 2 -1 3 9 2 19 4 -1 19 5 -2 20 6 -2 23 7 -2 8 17 2 20 9 -1 10 18 2 10 20 1 11 13 1 11 18 1 12 14 1 12 20 1 13 22 1 14 21 1 15 17 1 15 19 1 16 17 1 16 23 1 18 21 1 19 22 1 21 23 1 22 23 1', '23 25 H 17.27 -11.76 H 16.01 -13.89 C:111 22.18 -8.65 C:34 15.73 -14.70 C:23 13.71 -14.61 C:26 20.60 -8.13 C:15 16.01 -10.04 O 12.30 -10.82 C:149 21.16 -9.67 C:130 19.75 -10.82 C:36 18.51 -12.94 C:34 18.51 -8.59 C:23 17.27 -13.66 C:19 17.27 -9.32 C:56 13.51 -12.94 C:54 14.73 -10.82 C:212 13.51 -11.49 C:136 18.51 -11.49 C:40 14.73 -13.66 C:37 19.75 -9.32 C:50 17.27 -10.82 C:55 16.01 -12.94 C:44 16.01 -11.49 21 1 -1 22 2 -1 3 9 2 19 4 -1 19 5 -2 20 6 -2 23 7 -2 8 17 2 20 9 -1 10 18 2 10 20 1 11 13 1 11 18 1 12 14 1 12 20 1 13 22 1 14 21 1 15 17 1 15 19 1 16 17 1 16 23 1 18 21 1 19 22 1 21 23 1 22 23 1', 'C20H30O', 286.229, 'C', 'ph64_1319_5', 3828, '', '', '1', 47, NULL, NULL),
(15150, '', '12-O-[(2R)-N,N-Dimethyl-3-methylbutanoyl]-4-deoxyphorbol 13-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:4]34[CH2:5][C:6]([CH2:20]O)=[CH:7][C@@:8]2([H])[C@:14]1([H])[C@@:15]([CH3:17])([CH3:16])[C@:13]1(O[C:13001]([CH3:13002])=O)[C@H:12](O[C:12001](=O)[C@@H:12002]([CH:12003]([CH3:12004])[CH3:12301])N([CH3:12201])[CH3:12202])[C@@H:11]([CH3:18])[C@:9]2(O)[C@:10]3([H])[CH:1]=[C:2]([CH3:19])[C:3]4=O', '[H][C@@]34CC(CO)=C[C@@]2([H])[C@]1([H])[C@@](C)(C)[C@]1(OC(C)=O)[C@H](OC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)[C@]2(O)[C@]3([H])C=C(C)C4=O', '[H][C@@:50]34[CH2:25][C:137]([CH2:69]O)=[CH:126][C@@:41]2([H])[C@:37]1([H])[C@@:25]([CH3:24])([CH3:16])[C@:65]1(O[C:173]([CH3:21])=O)[C@H:75](O[C:171](=O)[C@@H:75]([CH:27]([CH3:19])[CH3:20])N([CH3:41])[CH3:41])[C@@H:43]([CH3:12])[C@:78]2(O)[C@:47]3([H])[CH:156]=[C:143]([CH3:11])[C:213]4=O', '41 44 H 15.09 -15.31 H 16.14 -12.05 H 18.51 -12.25 H 20.47 -13.36 C:13002 21.51 -7.73 C:19 12.14 -12.55 C:12004 16.14 -4.68 C:12301 14.91 -6.79 C:18 16.02 -10.29 C:12201 19.80 -6.79 C:12202 18.57 -4.68 C:17 22.32 -11.03 C:16 22.32 -12.55 O 19.15 -8.29 O 16.14 -8.90 O 13.14 -15.53 O 17.31 -18.20 O 17.31 -13.92 C:1 14.70 -12.15 C:7 18.70 -14.68 C:20 18.21 -17.11 C:5 16.25 -15.61 O 18.57 -8.90 O 20.82 -10.05 C:13001 20.47 -8.69 C:2 13.54 -13.00 C:6 17.70 -15.73 C:12001 17.31 -8.20 C:3 13.98 -14.38 C:12003 16.14 -6.09 C:11 17.31 -11.03 C:12 18.51 -10.29 C:12002 17.31 -6.79 N 18.57 -6.09 C:15 21.07 -11.81 C:4 15.42 -14.38 C:10 15.89 -13.00 C:8 18.51 -13.23 C:14 19.80 -12.55 C:9 17.31 -12.49 C:13 19.80 -11.03 36 1 -2 37 2 -2 38 3 -1 39 4 -2 5 25 1 6 26 1 7 30 1 8 30 1 31 9 -2 10 34 1 11 34 1 35 12 -1 35 13 -2 14 25 2 15 28 2 16 29 2 17 21 1 40 18 -2 19 26 2 19 37 1 20 27 2 20 38 1 21 27 1 22 27 1 22 36 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 36 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -1 35 39 1 35 41 1 36 37 1 37 40 1 38 39 1 38 40 1 39 41 1', '41 44 H 15.09 -15.31 H 16.14 -12.05 H 18.51 -12.25 H 20.47 -13.36 C 21.51 -7.73 C 12.14 -12.55 C 16.14 -4.68 C 14.91 -6.79 C 16.02 -10.29 C 19.80 -6.79 C 18.57 -4.68 C 22.32 -11.03 C 22.32 -12.55 O 19.15 -8.29 O 16.14 -8.90 O 13.14 -15.53 O 17.31 -18.20 O 17.31 -13.92 C 14.70 -12.15 C 18.70 -14.68 C 18.21 -17.11 C 16.25 -15.61 O 18.57 -8.90 O 20.82 -10.05 C 20.47 -8.69 C 13.54 -13.00 C 17.70 -15.73 C 17.31 -8.20 C 13.98 -14.38 C 16.14 -6.09 C 17.31 -11.03 C 18.51 -10.29 C 17.31 -6.79 N 18.57 -6.09 C 21.07 -11.81 C 15.42 -14.38 C 15.89 -13.00 C 18.51 -13.23 C 19.80 -12.55 C 17.31 -12.49 C 19.80 -11.03 36 1 -2 37 2 -2 38 3 -1 39 4 -2 5 25 1 6 26 1 7 30 1 8 30 1 31 9 -2 10 34 1 11 34 1 35 12 -1 35 13 -2 14 25 2 15 28 2 16 29 2 17 21 1 40 18 -2 19 26 2 19 37 1 20 27 2 20 38 1 21 27 1 22 27 1 22 36 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 36 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -1 35 39 1 35 41 1 36 37 1 37 40 1 38 39 1 38 40 1 39 41 1', '41 44 H 15.09 -15.31 H 16.14 -12.05 H 18.51 -12.25 H 20.47 -13.36 C:21 21.51 -7.73 C:11 12.14 -12.55 C:19 16.14 -4.68 C:20 14.91 -6.79 C:12 16.02 -10.29 C:41 19.80 -6.79 C:41 18.57 -4.68 C:24 22.32 -11.03 C:16 22.32 -12.55 O 19.15 -8.29 O 16.14 -8.90 O 13.14 -15.53 O 17.31 -18.20 O 17.31 -13.92 C:156 14.70 -12.15 C:126 18.70 -14.68 C:69 18.21 -17.11 C:25 16.25 -15.61 O 18.57 -8.90 O 20.82 -10.05 C:173 20.47 -8.69 C:143 13.54 -13.00 C:137 17.70 -15.73 C:171 17.31 -8.20 C:213 13.98 -14.38 C:27 16.14 -6.09 C:43 17.31 -11.03 C:75 18.51 -10.29 C:75 17.31 -6.79 N 18.57 -6.09 C:25 21.07 -11.81 C:50 15.42 -14.38 C:47 15.89 -13.00 C:41 18.51 -13.23 C:37 19.80 -12.55 C:78 17.31 -12.49 C:65 19.80 -11.03 36 1 -2 37 2 -2 38 3 -1 39 4 -2 5 25 1 6 26 1 7 30 1 8 30 1 31 9 -2 10 34 1 11 34 1 35 12 -1 35 13 -2 14 25 2 15 28 2 16 29 2 17 21 1 40 18 -2 19 26 2 19 37 1 20 27 2 20 38 1 21 27 1 22 27 1 22 36 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 36 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -1 35 39 1 35 41 1 36 37 1 37 40 1 38 39 1 38 40 1 39 41 1', 'C29H43NO7', 517.345, 'C', 'np06_887_1', 3829, '', '', '1', 1, NULL, NULL),
(15151, '', '12-O-[(2S)-N,N-Dimethyl-3-methylbutanoyl]-4-deoxyphorbol 13-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:4]34[CH2:5][C:6]([CH2:20]O)=[CH:7][C@@:8]2([H])[C@:14]1([H])[C@:15]([CH3:16])([CH3:17])[C@:13]1(O[C:13001]([CH3:13002])=O)[C@H:12](O[C:12001](=O)[C@H:12002]([CH:12003]([CH3:12301])[CH3:12004])N([CH3:12202])[CH3:12201])[C@@H:11]([CH3:18])[C@:9]2(O)[C@:10]3([H])[CH:1]=[C:2]([CH3:19])[C:3]4=O', '[H][C@@]34CC(CO)=C[C@@]2([H])[C@]1([H])[C@](C)(C)[C@]1(OC(C)=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)[C@]2(O)[C@]3([H])C=C(C)C4=O', '[H][C@@:50]34[CH2:25][C:138]([CH2:69]O)=[CH:126][C@@:41]2([H])[C@:38]1([H])[C@:26]([CH3:17])([CH3:24])[C@:65]1(O[C:173]([CH3:21])=O)[C@H:80](O[C:168](=O)[C@H:77]([CH:28]([CH3:23])[CH3:20])N([CH3:43])[CH3:43])[C@@H:44]([CH3:13])[C@:79]2(O)[C@:47]3([H])[CH:156]=[C:144]([CH3:11])[C:213]4=O', '41 44 H 15.09 -15.31 H 16.14 -12.05 H 18.51 -12.25 H 20.47 -13.36 C:13002 21.51 -7.73 C:19 12.14 -12.55 C:12301 14.91 -6.79 C:12004 16.14 -4.68 C:18 16.02 -10.29 C:12202 18.57 -4.68 C:12201 19.80 -6.79 C:16 22.32 -12.55 C:17 22.32 -11.03 O 19.15 -8.29 O 16.14 -8.90 O 13.14 -15.53 O 17.31 -18.20 O 17.31 -13.92 C:1 14.70 -12.15 C:7 18.70 -14.68 C:20 18.21 -17.11 C:5 16.25 -15.61 O 18.57 -8.90 O 20.82 -10.05 C:13001 20.47 -8.69 C:2 13.54 -13.00 C:6 17.70 -15.73 C:12001 17.31 -8.20 C:3 13.98 -14.38 C:12003 16.14 -6.09 C:11 17.31 -11.03 C:12 18.51 -10.29 C:12002 17.31 -6.79 N 18.57 -6.09 C:15 21.07 -11.81 C:4 15.42 -14.38 C:10 15.89 -13.00 C:8 18.51 -13.23 C:14 19.80 -12.55 C:9 17.31 -12.49 C:13 19.80 -11.03 36 1 -2 37 2 -2 38 3 -1 39 4 -2 5 25 1 6 26 1 7 30 1 8 30 1 31 9 -2 10 34 1 11 34 1 35 12 -2 35 13 -1 14 25 2 15 28 2 16 29 2 17 21 1 40 18 -2 19 26 2 19 37 1 20 27 2 20 38 1 21 27 1 22 27 1 22 36 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 36 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -2 35 39 1 35 41 1 36 37 1 37 40 1 38 39 1 38 40 1 39 41 1', '41 44 H 15.09 -15.31 H 16.14 -12.05 H 18.51 -12.25 H 20.47 -13.36 C 21.51 -7.73 C 12.14 -12.55 C 14.91 -6.79 C 16.14 -4.68 C 16.02 -10.29 C 18.57 -4.68 C 19.80 -6.79 C 22.32 -12.55 C 22.32 -11.03 O 19.15 -8.29 O 16.14 -8.90 O 13.14 -15.53 O 17.31 -18.20 O 17.31 -13.92 C 14.70 -12.15 C 18.70 -14.68 C 18.21 -17.11 C 16.25 -15.61 O 18.57 -8.90 O 20.82 -10.05 C 20.47 -8.69 C 13.54 -13.00 C 17.70 -15.73 C 17.31 -8.20 C 13.98 -14.38 C 16.14 -6.09 C 17.31 -11.03 C 18.51 -10.29 C 17.31 -6.79 N 18.57 -6.09 C 21.07 -11.81 C 15.42 -14.38 C 15.89 -13.00 C 18.51 -13.23 C 19.80 -12.55 C 17.31 -12.49 C 19.80 -11.03 36 1 -2 37 2 -2 38 3 -1 39 4 -2 5 25 1 6 26 1 7 30 1 8 30 1 31 9 -2 10 34 1 11 34 1 35 12 -2 35 13 -1 14 25 2 15 28 2 16 29 2 17 21 1 40 18 -2 19 26 2 19 37 1 20 27 2 20 38 1 21 27 1 22 27 1 22 36 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 36 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -2 35 39 1 35 41 1 36 37 1 37 40 1 38 39 1 38 40 1 39 41 1', '41 44 H 15.09 -15.31 H 16.14 -12.05 H 18.51 -12.25 H 20.47 -13.36 C:21 21.51 -7.73 C:11 12.14 -12.55 C:23 14.91 -6.79 C:20 16.14 -4.68 C:13 16.02 -10.29 C:43 18.57 -4.68 C:43 19.80 -6.79 C:17 22.32 -12.55 C:24 22.32 -11.03 O 19.15 -8.29 O 16.14 -8.90 O 13.14 -15.53 O 17.31 -18.20 O 17.31 -13.92 C:156 14.70 -12.15 C:126 18.70 -14.68 C:69 18.21 -17.11 C:25 16.25 -15.61 O 18.57 -8.90 O 20.82 -10.05 C:173 20.47 -8.69 C:144 13.54 -13.00 C:138 17.70 -15.73 C:168 17.31 -8.20 C:213 13.98 -14.38 C:28 16.14 -6.09 C:44 17.31 -11.03 C:80 18.51 -10.29 C:77 17.31 -6.79 N 18.57 -6.09 C:26 21.07 -11.81 C:50 15.42 -14.38 C:47 15.89 -13.00 C:41 18.51 -13.23 C:38 19.80 -12.55 C:79 17.31 -12.49 C:65 19.80 -11.03 36 1 -2 37 2 -2 38 3 -1 39 4 -2 5 25 1 6 26 1 7 30 1 8 30 1 31 9 -2 10 34 1 11 34 1 35 12 -2 35 13 -1 14 25 2 15 28 2 16 29 2 17 21 1 40 18 -2 19 26 2 19 37 1 20 27 2 20 38 1 21 27 1 22 27 1 22 36 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 36 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -2 35 39 1 35 41 1 36 37 1 37 40 1 38 39 1 38 40 1 39 41 1', 'C29H43NO7', 517.345, 'C', 'np06_887_2', 3829, '', '', '1', 1, NULL, NULL),
(15152, '', '12-O-[3-Methyl-2-butenoyl]-4-deoxyphorbol 13-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:4]34[CH2:5][C:6]([CH2:20]O)=[CH:7][C@@:8]2([H])[C@:14]1([H])[C@:15]([CH3:16])([CH3:17])[C@:13]1(O[C:13001]([CH3:13002])=O)[C@H:12](O[C:12001](=O)[CH:12002]=[C:12003]([CH3:12301])[CH3:12004])[C@@H:11]([CH3:18])[C@:9]2(O)[C@:10]3([H])[CH:1]=[C:2]([CH3:19])[C:3]4=O', '[H][C@@]34CC(CO)=C[C@@]2([H])[C@]1([H])[C@](C)(C)[C@]1(OC(C)=O)[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]2(O)[C@]3([H])C=C(C)C4=O', '[H][C@@:50]34[CH2:25][C:137]([CH2:70]O)=[CH:127][C@@:41]2([H])[C@:37]1([H])[C@:25]([CH3:17])([CH3:24])[C@:66]1(O[C:174]([CH3:21])=O)[C@H:74](O[C:166](=O)[CH:116]=[C:158]([CH3:28])[CH3:21])[C@@H:44]([CH3:12])[C@:78]2(O)[C@:48]3([H])[CH:157]=[C:144]([CH3:11])[C:214]4=O', '38 41 H 15.10 -15.33 H 16.16 -12.06 H 18.53 -12.26 H 20.49 -13.37 C:12301 14.92 -6.80 C:12004 16.16 -4.68 C:13002 21.53 -7.74 C:19 12.15 -12.56 C:18 16.04 -10.30 C:16 22.34 -12.56 C:17 22.34 -11.04 O 19.17 -8.30 O 16.16 -8.91 O 13.15 -15.55 O 17.33 -18.22 O 17.33 -13.93 C:12002 17.33 -6.80 C:1 14.71 -12.16 C:7 18.72 -14.69 C:20 18.23 -17.13 C:5 16.27 -15.63 O 18.59 -8.91 O 20.84 -10.06 C:12003 16.16 -6.10 C:13001 20.49 -8.70 C:2 13.55 -13.01 C:12001 17.33 -8.21 C:6 17.72 -15.75 C:3 13.99 -14.39 C:11 17.33 -11.04 C:12 18.53 -10.30 C:15 21.09 -11.82 C:4 15.44 -14.39 C:10 15.91 -13.01 C:8 18.53 -13.24 C:14 19.82 -12.56 C:9 17.33 -12.50 C:13 19.82 -11.04 33 1 -2 34 2 -2 35 3 -1 36 4 -2 5 24 1 6 24 1 7 25 1 8 26 1 30 9 -2 32 10 -2 32 11 -1 12 25 2 13 27 2 14 29 2 15 20 1 37 16 -2 17 24 2 17 27 1 18 26 2 18 34 1 19 28 2 19 35 1 20 28 1 21 28 1 21 33 1 22 27 1 31 22 -1 23 25 1 38 23 -2 26 29 1 29 33 1 30 31 1 30 37 1 31 38 1 32 36 1 32 38 1 33 34 1 34 37 1 35 36 1 35 37 1 36 38 1', '38 41 H 15.10 -15.33 H 16.16 -12.06 H 18.53 -12.26 H 20.49 -13.37 C 14.92 -6.80 C 16.16 -4.68 C 21.53 -7.74 C 12.15 -12.56 C 16.04 -10.30 C 22.34 -12.56 C 22.34 -11.04 O 19.17 -8.30 O 16.16 -8.91 O 13.15 -15.55 O 17.33 -18.22 O 17.33 -13.93 C 17.33 -6.80 C 14.71 -12.16 C 18.72 -14.69 C 18.23 -17.13 C 16.27 -15.63 O 18.59 -8.91 O 20.84 -10.06 C 16.16 -6.10 C 20.49 -8.70 C 13.55 -13.01 C 17.33 -8.21 C 17.72 -15.75 C 13.99 -14.39 C 17.33 -11.04 C 18.53 -10.30 C 21.09 -11.82 C 15.44 -14.39 C 15.91 -13.01 C 18.53 -13.24 C 19.82 -12.56 C 17.33 -12.50 C 19.82 -11.04 33 1 -2 34 2 -2 35 3 -1 36 4 -2 5 24 1 6 24 1 7 25 1 8 26 1 30 9 -2 32 10 -2 32 11 -1 12 25 2 13 27 2 14 29 2 15 20 1 37 16 -2 17 24 2 17 27 1 18 26 2 18 34 1 19 28 2 19 35 1 20 28 1 21 28 1 21 33 1 22 27 1 31 22 -1 23 25 1 38 23 -2 26 29 1 29 33 1 30 31 1 30 37 1 31 38 1 32 36 1 32 38 1 33 34 1 34 37 1 35 36 1 35 37 1 36 38 1', '38 41 H 15.10 -15.33 H 16.16 -12.06 H 18.53 -12.26 H 20.49 -13.37 C:28 14.92 -6.80 C:21 16.16 -4.68 C:21 21.53 -7.74 C:11 12.15 -12.56 C:12 16.04 -10.30 C:17 22.34 -12.56 C:24 22.34 -11.04 O 19.17 -8.30 O 16.16 -8.91 O 13.15 -15.55 O 17.33 -18.22 O 17.33 -13.93 C:116 17.33 -6.80 C:157 14.71 -12.16 C:127 18.72 -14.69 C:70 18.23 -17.13 C:25 16.27 -15.63 O 18.59 -8.91 O 20.84 -10.06 C:158 16.16 -6.10 C:174 20.49 -8.70 C:144 13.55 -13.01 C:166 17.33 -8.21 C:137 17.72 -15.75 C:214 13.99 -14.39 C:44 17.33 -11.04 C:74 18.53 -10.30 C:25 21.09 -11.82 C:50 15.44 -14.39 C:48 15.91 -13.01 C:41 18.53 -13.24 C:37 19.82 -12.56 C:78 17.33 -12.50 C:66 19.82 -11.04 33 1 -2 34 2 -2 35 3 -1 36 4 -2 5 24 1 6 24 1 7 25 1 8 26 1 30 9 -2 32 10 -2 32 11 -1 12 25 2 13 27 2 14 29 2 15 20 1 37 16 -2 17 24 2 17 27 1 18 26 2 18 34 1 19 28 2 19 35 1 20 28 1 21 28 1 21 33 1 22 27 1 31 22 -1 23 25 1 38 23 -2 26 29 1 29 33 1 30 31 1 30 37 1 31 38 1 32 36 1 32 38 1 33 34 1 34 37 1 35 36 1 35 37 1 36 38 1', 'C27H36O7', 472.316, 'C', 'np06_887_3', 3829, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15153, '', '12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:10]13[CH:1]=[C:2]([CH3:19])[C:3](=O)[C@:4]1(O)[CH2:5][C:6]([CH2:20]O)=[CH:7][C@@:8]4([H])[C@:14]2([H])[C@@:15]([CH3:17])([CH3:16])[C@:13]2(O[C:13001]([CH3:13002])=O)[C@H:12](O[C:12001](=O)[C@@H:12002]([CH:12003]([CH3:12004])[CH3:12301])N([CH3:12201])[CH3:12202])[C@@H:11]([CH3:18])[C@:9]34O', '[H][C@@]13C=C(C)C(=O)[C@]1(O)CC(CO)=C[C@@]4([H])[C@]2([H])[C@@](C)(C)[C@]2(OC(C)=O)[C@H](OC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)[C@]34O', '[H][C@@:56]13[CH:161]=[C:141]([CH3:10])[C:209](=O)[C@:74]1(O)[CH2:39][C:133]([CH2:68]O)=[CH:129][C@@:39]4([H])[C@:36]2([H])[C@@:26]([CH3:24])([CH3:17])[C@:66]2(O[C:174]([CH3:21])=O)[C@H:76](O[C:172](=O)[C@@H:75]([CH:28]([CH3:19])[CH3:20])N([CH3:41])[CH3:41])[C@@H:43]([CH3:15])[C@:79]34O', '41 44 H 16.16 -12.05 H 18.51 -12.25 H 20.46 -13.35 C:13002 21.49 -7.75 C:19 12.19 -12.55 C:12004 16.16 -4.72 C:12301 14.93 -6.82 C:18 16.04 -10.30 C:12201 19.80 -6.82 C:12202 18.57 -4.72 C:17 22.29 -11.04 C:16 22.29 -12.55 O 19.18 -8.32 O 16.16 -8.92 O 13.18 -15.51 O 17.32 -18.16 O 14.99 -15.69 O 17.32 -13.91 C:1 14.72 -12.15 C:7 18.70 -14.66 C:20 18.22 -17.08 C:5 16.27 -15.59 O 18.57 -8.92 O 20.81 -10.06 C:13001 20.46 -8.71 C:2 13.58 -12.99 C:6 17.71 -15.69 C:12001 17.32 -8.23 C:3 14.02 -14.37 C:12003 16.16 -6.12 C:11 17.32 -11.04 C:12 18.51 -10.30 C:12002 17.32 -6.82 N 18.57 -6.12 C:15 21.06 -11.81 C:10 15.91 -12.99 C:8 18.51 -13.22 C:4 15.45 -14.37 C:14 19.80 -12.55 C:9 17.32 -12.49 C:13 19.80 -11.04 36 1 -2 37 2 -1 39 3 -2 4 25 1 5 26 1 6 30 1 7 30 1 31 8 -2 9 34 1 10 34 1 35 11 -1 35 12 -2 13 25 2 14 28 2 15 29 2 16 21 1 38 17 -2 40 18 -2 19 26 2 19 36 1 20 27 2 20 37 1 21 27 1 22 27 1 22 38 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 38 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -1 35 39 1 35 41 1 36 38 1 36 40 1 37 39 1 37 40 1 39 41 1', '41 44 H 16.16 -12.05 H 18.51 -12.25 H 20.46 -13.35 C 21.49 -7.75 C 12.19 -12.55 C 16.16 -4.72 C 14.93 -6.82 C 16.04 -10.30 C 19.80 -6.82 C 18.57 -4.72 C 22.29 -11.04 C 22.29 -12.55 O 19.18 -8.32 O 16.16 -8.92 O 13.18 -15.51 O 17.32 -18.16 O 14.99 -15.69 O 17.32 -13.91 C 14.72 -12.15 C 18.70 -14.66 C 18.22 -17.08 C 16.27 -15.59 O 18.57 -8.92 O 20.81 -10.06 C 20.46 -8.71 C 13.58 -12.99 C 17.71 -15.69 C 17.32 -8.23 C 14.02 -14.37 C 16.16 -6.12 C 17.32 -11.04 C 18.51 -10.30 C 17.32 -6.82 N 18.57 -6.12 C 21.06 -11.81 C 15.91 -12.99 C 18.51 -13.22 C 15.45 -14.37 C 19.80 -12.55 C 17.32 -12.49 C 19.80 -11.04 36 1 -2 37 2 -1 39 3 -2 4 25 1 5 26 1 6 30 1 7 30 1 31 8 -2 9 34 1 10 34 1 35 11 -1 35 12 -2 13 25 2 14 28 2 15 29 2 16 21 1 38 17 -2 40 18 -2 19 26 2 19 36 1 20 27 2 20 37 1 21 27 1 22 27 1 22 38 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 38 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -1 35 39 1 35 41 1 36 38 1 36 40 1 37 39 1 37 40 1 39 41 1', '41 44 H 16.16 -12.05 H 18.51 -12.25 H 20.46 -13.35 C:21 21.49 -7.75 C:10 12.19 -12.55 C:19 16.16 -4.72 C:20 14.93 -6.82 C:15 16.04 -10.30 C:41 19.80 -6.82 C:41 18.57 -4.72 C:24 22.29 -11.04 C:17 22.29 -12.55 O 19.18 -8.32 O 16.16 -8.92 O 13.18 -15.51 O 17.32 -18.16 O 14.99 -15.69 O 17.32 -13.91 C:161 14.72 -12.15 C:129 18.70 -14.66 C:68 18.22 -17.08 C:39 16.27 -15.59 O 18.57 -8.92 O 20.81 -10.06 C:174 20.46 -8.71 C:141 13.58 -12.99 C:133 17.71 -15.69 C:172 17.32 -8.23 C:209 14.02 -14.37 C:28 16.16 -6.12 C:43 17.32 -11.04 C:76 18.51 -10.30 C:75 17.32 -6.82 N 18.57 -6.12 C:26 21.06 -11.81 C:56 15.91 -12.99 C:39 18.51 -13.22 C:74 15.45 -14.37 C:36 19.80 -12.55 C:79 17.32 -12.49 C:66 19.80 -11.04 36 1 -2 37 2 -1 39 3 -2 4 25 1 5 26 1 6 30 1 7 30 1 31 8 -2 9 34 1 10 34 1 35 11 -1 35 12 -2 13 25 2 14 28 2 15 29 2 16 21 1 38 17 -2 40 18 -2 19 26 2 19 36 1 20 27 2 20 37 1 21 27 1 22 27 1 22 38 1 23 28 1 32 23 -1 24 25 1 41 24 -2 26 29 1 28 33 1 29 38 1 30 33 1 31 32 1 31 40 1 32 41 1 33 34 -1 35 39 1 35 41 1 36 38 1 36 40 1 37 39 1 37 40 1 39 41 1', 'C29H43NO8', 533.336, 'C', 'np06_887_4', 3829, '', '', '1', 1, NULL, NULL),
(15154, '', '12-O-[(2R)-N,N-Dimethyl-3-methylbutanoyl]-20-p-bromobenzoyl-4-deoxyphorbol 13-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:4]45[CH2:5][C:6]([CH2:20]O[C:20001](=O)[c:101]1[cH:106][cH:105][c:104](Br)[cH:103][cH:102]1)=[CH:7][C@@:8]3([H])[C@:14]2([H])[C@:15]([CH3:16])([CH3:17])[C@:13]2(O[C:13001]([CH3:13002])=O)[C@H:12](O[C:12001](=O)[C@@H:12002]([CH:12003]([CH3:12301])[CH3:12004])N([CH3:12202])[CH3:12201])[C@@H:11]([CH3:18])[C@:9]3(O)[C@:10]4([H])[CH:1]=[C:2]([CH3:19])[C:3]5=O', '[H][C@@]45CC(COC(=O)c1ccc(Br)cc1)=C[C@@]3([H])[C@]2([H])[C@](C)(C)[C@]2(OC(C)=O)[C@H](OC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)[C@]3(O)[C@]4([H])C=C(C)C5=O', '[H][C@@:49]45[CH2:27][C:134]([CH2:72]O[C:165](=O)[c:134]1[cH:132][cH:132][c:130](Br)[cH:132][cH:132]1)=[CH:129][C@@:41]3([H])[C@:37]2([H])[C@:27]([CH3:16])([CH3:24])[C@:66]2(O[C:173]([CH3:21])=O)[C@H:75](O[C:171](=O)[C@@H:75]([CH:28]([CH3:20])[CH3:19])N([CH3:41])[CH3:41])[C@@H:43]([CH3:12])[C@:78]3(O)[C@:47]4([H])[CH:154]=[C:143]([CH3:11])[C:209]5=O', '50 54 H 15.13 -12.46 H 16.15 -9.20 H 18.52 -9.40 H 20.48 -10.51 C:13002 21.52 -4.87 C:19 12.15 -9.70 C:12301 14.91 -3.93 C:12004 16.15 -1.82 C:18 16.03 -7.44 C:12202 18.58 -1.82 C:12201 19.81 -3.93 C:16 22.32 -9.70 C:17 22.32 -8.18 O 19.19 -5.44 O 19.19 -16.89 O 16.15 -6.05 O 13.15 -12.68 O 17.32 -11.07 Br 14.24 -20.98 C:1 14.70 -9.30 C:7 18.71 -11.83 C:105 14.63 -18.59 C:103 16.51 -20.13 C:106 15.54 -17.51 C:102 17.41 -19.05 C:20 18.22 -14.26 C:5 16.26 -12.76 O 17.32 -15.35 O 18.58 -6.05 O 20.83 -7.20 C:13001 20.48 -5.84 C:2 13.55 -10.15 C:20001 17.81 -16.66 C:12001 17.32 -5.35 C:6 17.71 -12.88 C:3 13.99 -11.53 C:104 15.13 -19.90 C:101 16.92 -17.74 C:12003 16.15 -3.23 C:11 17.32 -8.18 C:12 18.52 -7.44 C:12002 17.32 -3.93 N 18.58 -3.23 C:15 21.08 -8.96 C:4 15.43 -11.53 C:10 15.90 -10.15 C:8 18.52 -10.38 C:14 19.81 -9.70 C:9 17.32 -9.64 C:13 19.81 -8.18 45 1 -2 46 2 -2 47 3 -1 48 4 -2 5 31 1 6 32 1 7 39 1 8 39 1 40 9 -2 10 43 1 11 43 1 44 12 -2 44 13 -1 14 31 2 15 33 2 16 34 2 17 36 2 49 18 -2 19 37 1 20 32 2 20 46 1 21 35 2 21 47 1 22 24 1 22 37 2 23 25 2 23 37 1 24 38 2 25 38 1 26 28 1 26 35 1 27 35 1 27 45 1 28 33 1 29 34 1 41 29 -1 30 31 1 50 30 -2 32 36 1 33 38 1 34 42 1 36 45 1 39 42 1 40 41 1 40 49 1 41 50 1 42 43 -1 44 48 1 44 50 1 45 46 1 46 49 1 47 48 1 47 49 1 48 50 1', '50 54 H 15.13 -12.46 H 16.15 -9.20 H 18.52 -9.40 H 20.48 -10.51 C 21.52 -4.87 C 12.15 -9.70 C 14.91 -3.93 C 16.15 -1.82 C 16.03 -7.44 C 18.58 -1.82 C 19.81 -3.93 C 22.32 -9.70 C 22.32 -8.18 O 19.19 -5.44 O 19.19 -16.89 O 16.15 -6.05 O 13.15 -12.68 O 17.32 -11.07 Br 14.24 -20.98 C 14.70 -9.30 C 18.71 -11.83 C 14.63 -18.59 C 16.51 -20.13 C 15.54 -17.51 C 17.41 -19.05 C 18.22 -14.26 C 16.26 -12.76 O 17.32 -15.35 O 18.58 -6.05 O 20.83 -7.20 C 20.48 -5.84 C 13.55 -10.15 C 17.81 -16.66 C 17.32 -5.35 C 17.71 -12.88 C 13.99 -11.53 C 15.13 -19.90 C 16.92 -17.74 C 16.15 -3.23 C 17.32 -8.18 C 18.52 -7.44 C 17.32 -3.93 N 18.58 -3.23 C 21.08 -8.96 C 15.43 -11.53 C 15.90 -10.15 C 18.52 -10.38 C 19.81 -9.70 C 17.32 -9.64 C 19.81 -8.18 45 1 -2 46 2 -2 47 3 -1 48 4 -2 5 31 1 6 32 1 7 39 1 8 39 1 40 9 -2 10 43 1 11 43 1 44 12 -2 44 13 -1 14 31 2 15 33 2 16 34 2 17 36 2 49 18 -2 19 37 1 20 32 2 20 46 1 21 35 2 21 47 1 22 24 1 22 37 2 23 25 2 23 37 1 24 38 2 25 38 1 26 28 1 26 35 1 27 35 1 27 45 1 28 33 1 29 34 1 41 29 -1 30 31 1 50 30 -2 32 36 1 33 38 1 34 42 1 36 45 1 39 42 1 40 41 1 40 49 1 41 50 1 42 43 -1 44 48 1 44 50 1 45 46 1 46 49 1 47 48 1 47 49 1 48 50 1', '50 54 H 15.13 -12.46 H 16.15 -9.20 H 18.52 -9.40 H 20.48 -10.51 C:21 21.52 -4.87 C:11 12.15 -9.70 C:20 14.91 -3.93 C:19 16.15 -1.82 C:12 16.03 -7.44 C:41 18.58 -1.82 C:41 19.81 -3.93 C:16 22.32 -9.70 C:24 22.32 -8.18 O 19.19 -5.44 O 19.19 -16.89 O 16.15 -6.05 O 13.15 -12.68 O 17.32 -11.07 Br 14.24 -20.98 C:154 14.70 -9.30 C:129 18.71 -11.83 C:132 14.63 -18.59 C:132 16.51 -20.13 C:132 15.54 -17.51 C:132 17.41 -19.05 C:72 18.22 -14.26 C:27 16.26 -12.76 O 17.32 -15.35 O 18.58 -6.05 O 20.83 -7.20 C:173 20.48 -5.84 C:143 13.55 -10.15 C:165 17.81 -16.66 C:171 17.32 -5.35 C:134 17.71 -12.88 C:209 13.99 -11.53 C:130 15.13 -19.90 C:134 16.92 -17.74 C:28 16.15 -3.23 C:43 17.32 -8.18 C:75 18.52 -7.44 C:75 17.32 -3.93 N 18.58 -3.23 C:27 21.08 -8.96 C:49 15.43 -11.53 C:47 15.90 -10.15 C:41 18.52 -10.38 C:37 19.81 -9.70 C:78 17.32 -9.64 C:66 19.81 -8.18 45 1 -2 46 2 -2 47 3 -1 48 4 -2 5 31 1 6 32 1 7 39 1 8 39 1 40 9 -2 10 43 1 11 43 1 44 12 -2 44 13 -1 14 31 2 15 33 2 16 34 2 17 36 2 49 18 -2 19 37 1 20 32 2 20 46 1 21 35 2 21 47 1 22 24 1 22 37 2 23 25 2 23 37 1 24 38 2 25 38 1 26 28 1 26 35 1 27 35 1 27 45 1 28 33 1 29 34 1 41 29 -1 30 31 1 50 30 -2 32 36 1 33 38 1 34 42 1 36 45 1 39 42 1 40 41 1 40 49 1 41 50 1 42 43 -1 44 48 1 44 50 1 45 46 1 46 49 1 47 48 1 47 49 1 48 50 1', 'C36H46BrNO8', 700.323, 'C', 'np06_887_1a', 3829, '', '', '1', 1, NULL, NULL),
(15155, '', '3α,17-Dihydroxy-ent-pimara-8(14),15-diene', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]([CH:15]=[CH2:16])([CH2:17]O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@@](C=C)(CO)C=C1CC[C@]3([H])[C@](C)(C)[C@H](O)CC[C@@]23C', '[H][C@@:52]12[CH2:19][CH2:30][C@@:45]([CH:143]=[CH2:117])([CH2:71]O)[CH:123]=[C:141]1[CH2:36][CH2:22][C@:54]3([H])[C@:39]([CH3:28])([CH3:16])[C@H:79](O)[CH2:28][CH2:37][C@@:38]23[CH3:15]', '24 26 H 17.25 -12.40 H 15.99 -14.54 C:16 22.16 -9.32 C:18 15.71 -15.36 C:19 13.69 -15.27 C:20 15.99 -10.69 O 20.06 -7.52 O 12.30 -14.28 C:15 21.14 -10.33 C:14 19.74 -11.43 C:17 20.58 -8.79 C:7 18.51 -13.59 C:2 13.49 -12.16 C:6 17.25 -14.28 C:11 17.25 -9.97 C:1 14.73 -11.43 C:12 18.51 -9.26 C:8 18.51 -12.16 C:3 13.49 -13.59 C:9 17.25 -11.43 C:4 14.73 -14.28 C:5 15.99 -13.59 C:13 19.74 -9.97 C:10 15.99 -12.16 20 1 -1 22 2 -1 3 9 2 21 4 -1 21 5 -2 24 6 -2 7 11 1 19 8 -2 23 9 -2 10 18 2 10 23 1 23 11 -1 12 14 1 12 18 1 13 16 1 13 19 1 14 22 1 15 17 1 15 20 1 16 24 1 17 23 1 18 20 1 19 21 1 20 24 1 21 22 1 22 24 1', '24 26 H 17.25 -12.40 H 15.99 -14.54 C 22.16 -9.32 C 15.71 -15.36 C 13.69 -15.27 C 15.99 -10.69 O 20.06 -7.52 O 12.30 -14.28 C 21.14 -10.33 C 19.74 -11.43 C 20.58 -8.79 C 18.51 -13.59 C 13.49 -12.16 C 17.25 -14.28 C 17.25 -9.97 C 14.73 -11.43 C 18.51 -9.26 C 18.51 -12.16 C 13.49 -13.59 C 17.25 -11.43 C 14.73 -14.28 C 15.99 -13.59 C 19.74 -9.97 C 15.99 -12.16 20 1 -1 22 2 -1 3 9 2 21 4 -1 21 5 -2 24 6 -2 7 11 1 19 8 -2 23 9 -2 10 18 2 10 23 1 23 11 -1 12 14 1 12 18 1 13 16 1 13 19 1 14 22 1 15 17 1 15 20 1 16 24 1 17 23 1 18 20 1 19 21 1 20 24 1 21 22 1 22 24 1', '24 26 H 17.25 -12.40 H 15.99 -14.54 C:117 22.16 -9.32 C:28 15.71 -15.36 C:16 13.69 -15.27 C:15 15.99 -10.69 O 20.06 -7.52 O 12.30 -14.28 C:143 21.14 -10.33 C:123 19.74 -11.43 C:71 20.58 -8.79 C:36 18.51 -13.59 C:28 13.49 -12.16 C:22 17.25 -14.28 C:19 17.25 -9.97 C:37 14.73 -11.43 C:30 18.51 -9.26 C:141 18.51 -12.16 C:79 13.49 -13.59 C:52 17.25 -11.43 C:39 14.73 -14.28 C:54 15.99 -13.59 C:45 19.74 -9.97 C:38 15.99 -12.16 20 1 -1 22 2 -1 3 9 2 21 4 -1 21 5 -2 24 6 -2 7 11 1 19 8 -2 23 9 -2 10 18 2 10 23 1 23 11 -1 12 14 1 12 18 1 13 16 1 13 19 1 14 22 1 15 17 1 15 20 1 16 24 1 17 23 1 18 20 1 19 21 1 20 24 1 21 22 1 22 24 1', 'C20H32O2', 304.229, 'C', 'np06_967_1', 3830, '', '', '1', 1, NULL, NULL),
(15156, '', '7β,11β,12β-Trihydroxy-ent-abieta-8(14),13(15)-dien-16,12-olide', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:5]34[CH2:6][C@H:7](O)[C:8]2=[CH:14][C:13]1=[C:15]([CH3:17])[C:16](=O)O[C@@:12]1(O)[C@H:11](O)[C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:18])[CH3:19]', '[H][C@]34C[C@H](O)C2=CC1=C(C)C(=O)O[C@@]1(O)[C@H](O)[C@@]2([H])[C@]3(C)CCC[C@@]4(C)C', '[H][C@:47]34[CH2:30][C@H:72](O)[C:153]2=[CH:115][C:153]1=[C:121]([CH3:8])[C:174](=O)O[C@@:103]1(O)[C@H:70](O)[C@@:55]2([H])[C@:41]3([CH3:14])[CH2:40][CH2:19][CH2:42][C@@:33]4([CH3:33])[CH3:22]', '27 30 H 15.41 -15.00 H 16.66 -12.87 C:17 21.55 -9.70 C:18 15.14 -15.88 C:19 13.10 -15.78 C:20 15.41 -11.13 O 20.26 -6.97 O 19.12 -14.73 O 15.48 -9.70 O 16.71 -9.05 C:14 19.12 -11.87 C:2 12.90 -12.61 C:3 12.90 -14.06 C:1 14.15 -11.87 C:6 16.66 -14.80 O 18.19 -8.36 C:15 20.18 -9.45 C:16 19.59 -8.19 C:13 19.12 -10.41 C:8 17.92 -12.61 C:7 17.92 -14.06 C:11 16.66 -10.41 C:4 14.15 -14.80 C:5 15.41 -14.06 C:9 16.66 -11.87 C:10 15.41 -12.61 C:12 17.92 -9.70 24 1 -1 25 2 -1 3 17 1 23 4 -1 23 5 -2 26 6 -2 7 18 2 21 8 -1 22 9 -1 27 10 -1 11 19 1 11 20 2 12 13 1 12 14 1 13 23 1 14 26 1 15 21 1 15 24 1 16 18 1 16 27 1 17 18 1 17 19 2 19 27 1 20 21 1 20 25 1 22 25 1 22 27 1 23 24 1 24 26 1 25 26 1', '27 30 H 15.41 -15.00 H 16.66 -12.87 C 21.55 -9.70 C 15.14 -15.88 C 13.10 -15.78 C 15.41 -11.13 O 20.26 -6.97 O 19.12 -14.73 O 15.48 -9.70 O 16.71 -9.05 C 19.12 -11.87 C 12.90 -12.61 C 12.90 -14.06 C 14.15 -11.87 C 16.66 -14.80 O 18.19 -8.36 C 20.18 -9.45 C 19.59 -8.19 C 19.12 -10.41 C 17.92 -12.61 C 17.92 -14.06 C 16.66 -10.41 C 14.15 -14.80 C 15.41 -14.06 C 16.66 -11.87 C 15.41 -12.61 C 17.92 -9.70 24 1 -1 25 2 -1 3 17 1 23 4 -1 23 5 -2 26 6 -2 7 18 2 21 8 -1 22 9 -1 27 10 -1 11 19 1 11 20 2 12 13 1 12 14 1 13 23 1 14 26 1 15 21 1 15 24 1 16 18 1 16 27 1 17 18 1 17 19 2 19 27 1 20 21 1 20 25 1 22 25 1 22 27 1 23 24 1 24 26 1 25 26 1', '27 30 H 15.41 -15.00 H 16.66 -12.87 C:8 21.55 -9.70 C:33 15.14 -15.88 C:22 13.10 -15.78 C:14 15.41 -11.13 O 20.26 -6.97 O 19.12 -14.73 O 15.48 -9.70 O 16.71 -9.05 C:115 19.12 -11.87 C:19 12.90 -12.61 C:42 12.90 -14.06 C:40 14.15 -11.87 C:30 16.66 -14.80 O 18.19 -8.36 C:121 20.18 -9.45 C:174 19.59 -8.19 C:153 19.12 -10.41 C:153 17.92 -12.61 C:72 17.92 -14.06 C:70 16.66 -10.41 C:33 14.15 -14.80 C:47 15.41 -14.06 C:55 16.66 -11.87 C:41 15.41 -12.61 C:103 17.92 -9.70 24 1 -1 25 2 -1 3 17 1 23 4 -1 23 5 -2 26 6 -2 7 18 2 21 8 -1 22 9 -1 27 10 -1 11 19 1 11 20 2 12 13 1 12 14 1 13 23 1 14 26 1 15 21 1 15 24 1 16 18 1 16 27 1 17 18 1 17 19 2 19 27 1 20 21 1 20 25 1 22 25 1 22 27 1 23 24 1 24 26 1 25 26 1', 'C20H28O5', 348.227, 'C+M', 'np06_967_2', 3830, '', '', '1', 1, NULL, NULL),
(15157, '17-Acetoxyjolkinolide B', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:5]56[CH2:6][CH2:7][C@@:8]14O[C@@H:14]1[C:13]2=[C:15]([CH2:17]O[C:17001]([CH3:17002])=O)[C:16](=O)O[C@:12]23O[C@@H:11]3[C@@:9]4([H])[C@:10]5([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]6([CH3:19])[CH3:18]', '[H][C@]56CC[C@@]14O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@]23O[C@@H]3[C@@]4([H])[C@]5(C)CCC[C@]6(C)C', '[H][C@:54]56[CH2:21][CH2:36][C@@:67]14O[C@@H:55]1[C:155]2=[C:128]([CH2:55]O[C:170]([CH3:21])=O)[C:167](=O)O[C@:85]23O[C@@H:62]3[C@@:48]4([H])[C@:39]5([CH3:15])[CH2:41][CH2:19][CH2:39][C@:34]6([CH3:22])[CH3:34]', '30 35 H 13.86 -15.01 H 15.10 -12.89 C:17002 23.15 -7.83 C:19 11.56 -15.79 C:18 13.59 -15.89 C:20 13.86 -11.16 O 22.73 -10.21 O 18.69 -7.00 C:2 11.36 -12.63 C:3 11.36 -14.08 C:1 12.60 -11.90 C:6 15.10 -14.82 C:7 16.36 -14.08 C:17 19.98 -9.73 O 20.87 -8.66 O 16.63 -8.39 O 17.60 -13.29 O 15.10 -9.04 C:17001 22.25 -8.91 C:16 18.02 -8.22 C:15 18.61 -9.48 C:13 17.60 -10.44 C:14 17.60 -11.90 C:11 15.10 -10.44 C:4 12.60 -14.82 C:5 13.86 -14.08 C:10 13.86 -12.63 C:9 15.10 -11.90 C:8 16.36 -12.63 C:12 16.36 -9.73 26 1 -1 28 2 -1 3 19 1 25 4 -2 25 5 -1 27 6 -2 7 19 2 8 20 2 9 10 1 9 11 1 10 25 1 11 27 1 12 13 1 12 26 1 13 29 1 14 15 1 14 21 1 15 19 1 16 20 1 16 30 1 23 17 -1 29 17 -1 24 18 -1 30 18 -1 20 21 1 21 22 2 22 23 1 22 30 1 23 29 1 24 28 1 24 30 1 25 26 1 26 27 1 27 28 1 28 29 1', '30 35 H 13.86 -15.01 H 15.10 -12.89 C 23.15 -7.83 C 11.56 -15.79 C 13.59 -15.89 C 13.86 -11.16 O 22.73 -10.21 O 18.69 -7.00 C 11.36 -12.63 C 11.36 -14.08 C 12.60 -11.90 C 15.10 -14.82 C 16.36 -14.08 C 19.98 -9.73 O 20.87 -8.66 O 16.63 -8.39 O 17.60 -13.29 O 15.10 -9.04 C 22.25 -8.91 C 18.02 -8.22 C 18.61 -9.48 C 17.60 -10.44 C 17.60 -11.90 C 15.10 -10.44 C 12.60 -14.82 C 13.86 -14.08 C 13.86 -12.63 C 15.10 -11.90 C 16.36 -12.63 C 16.36 -9.73 26 1 -1 28 2 -1 3 19 1 25 4 -2 25 5 -1 27 6 -2 7 19 2 8 20 2 9 10 1 9 11 1 10 25 1 11 27 1 12 13 1 12 26 1 13 29 1 14 15 1 14 21 1 15 19 1 16 20 1 16 30 1 23 17 -1 29 17 -1 24 18 -1 30 18 -1 20 21 1 21 22 2 22 23 1 22 30 1 23 29 1 24 28 1 24 30 1 25 26 1 26 27 1 27 28 1 28 29 1', '30 35 H 13.86 -15.01 H 15.10 -12.89 C:21 23.15 -7.83 C:22 11.56 -15.79 C:34 13.59 -15.89 C:15 13.86 -11.16 O 22.73 -10.21 O 18.69 -7.00 C:19 11.36 -12.63 C:39 11.36 -14.08 C:41 12.60 -11.90 C:21 15.10 -14.82 C:36 16.36 -14.08 C:55 19.98 -9.73 O 20.87 -8.66 O 16.63 -8.39 O 17.60 -13.29 O 15.10 -9.04 C:170 22.25 -8.91 C:167 18.02 -8.22 C:128 18.61 -9.48 C:155 17.60 -10.44 C:55 17.60 -11.90 C:62 15.10 -10.44 C:34 12.60 -14.82 C:54 13.86 -14.08 C:39 13.86 -12.63 C:48 15.10 -11.90 C:67 16.36 -12.63 C:85 16.36 -9.73 26 1 -1 28 2 -1 3 19 1 25 4 -2 25 5 -1 27 6 -2 7 19 2 8 20 2 9 10 1 9 11 1 10 25 1 11 27 1 12 13 1 12 26 1 13 29 1 14 15 1 14 21 1 15 19 1 16 20 1 16 30 1 23 17 -1 29 17 -1 24 18 -1 30 18 -1 20 21 1 21 22 2 22 23 1 22 30 1 23 29 1 24 28 1 24 30 1 25 26 1 26 27 1 27 28 1 28 29 1', 'C22H28O6', 388.248, 'C', 'np06_967_3', 3830, '', '', '1', 1, NULL, NULL),
(15158, '', '13β-Hydroxy-ent-abiet-8(14)-en-7-one', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C:7](=O)[C:8]1=[CH:14][C@@:13](O)([CH:15]([CH3:16])[CH3:17])[CH2:12][CH2:11][CH:9]1[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC(=O)C1=C[C@@](O)(C(C)C)CCC1[C@]2(C)CCC[C@@]3(C)C', '[H][C@@:50]23[CH2:38][C:201](=O)[C:139]1=[CH:140][C@@:72](O)([CH:38]([CH3:18])[CH3:16])[CH2:30][CH2:19][CH:52]1[C@:36]2([CH3:14])[CH2:39][CH2:18][CH2:42][C@@:33]3([CH3:33])[CH3:21]', '23 25 H 15.40 -14.29 C:16 20.32 -7.69 C:17 21.56 -9.79 C:18 15.14 -15.15 C:19 13.13 -15.05 C:20 15.40 -10.51 O 19.07 -14.08 O 19.07 -8.39 C:14 19.07 -11.23 C:2 12.94 -11.96 C:11 16.63 -9.79 C:3 12.94 -13.38 C:1 14.16 -11.23 C:12 17.86 -9.12 C:6 16.63 -14.08 C:7 17.86 -13.38 C:8 17.86 -11.96 C:15 20.32 -9.12 C:9 16.63 -11.23 C:4 14.16 -14.08 C:5 15.40 -13.38 C:10 15.40 -11.96 C:13 19.07 -9.79 21 1 -2 2 18 1 3 18 1 20 4 -1 20 5 -2 22 6 -2 7 16 2 23 8 -1 9 17 2 9 23 1 10 12 1 10 13 1 11 14 1 11 19 1 12 20 1 13 22 1 14 23 1 15 16 1 15 21 1 16 17 1 17 19 1 23 18 -2 19 22 1 20 21 1 21 22 1', '23 25 H 15.40 -14.29 C 20.32 -7.69 C 21.56 -9.79 C 15.14 -15.15 C 13.13 -15.05 C 15.40 -10.51 O 19.07 -14.08 O 19.07 -8.39 C 19.07 -11.23 C 12.94 -11.96 C 16.63 -9.79 C 12.94 -13.38 C 14.16 -11.23 C 17.86 -9.12 C 16.63 -14.08 C 17.86 -13.38 C 17.86 -11.96 C 20.32 -9.12 C 16.63 -11.23 C 14.16 -14.08 C 15.40 -13.38 C 15.40 -11.96 C 19.07 -9.79 21 1 -2 2 18 1 3 18 1 20 4 -1 20 5 -2 22 6 -2 7 16 2 23 8 -1 9 17 2 9 23 1 10 12 1 10 13 1 11 14 1 11 19 1 12 20 1 13 22 1 14 23 1 15 16 1 15 21 1 16 17 1 17 19 1 23 18 -2 19 22 1 20 21 1 21 22 1', '23 25 H 15.40 -14.29 C:18 20.32 -7.69 C:16 21.56 -9.79 C:33 15.14 -15.15 C:21 13.13 -15.05 C:14 15.40 -10.51 O 19.07 -14.08 O 19.07 -8.39 C:140 19.07 -11.23 C:18 12.94 -11.96 C:19 16.63 -9.79 C:42 12.94 -13.38 C:39 14.16 -11.23 C:30 17.86 -9.12 C:38 16.63 -14.08 C:201 17.86 -13.38 C:139 17.86 -11.96 C:38 20.32 -9.12 C:52 16.63 -11.23 C:33 14.16 -14.08 C:50 15.40 -13.38 C:36 15.40 -11.96 C:72 19.07 -9.79 21 1 -2 2 18 1 3 18 1 20 4 -1 20 5 -2 22 6 -2 7 16 2 23 8 -1 9 17 2 9 23 1 10 12 1 10 13 1 11 14 1 11 19 1 12 20 1 13 22 1 14 23 1 15 16 1 15 21 1 16 17 1 17 19 1 23 18 -2 19 22 1 20 21 1 21 22 1', 'C20H32O2', 304.221, 'C', 'np06_967_4', 3830, '', '', '1', 1, NULL, NULL),
(15159, '', '12-Deoxyphorbaldehyde-13-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:8]23[CH:7]=[C:6]([CH:20]=O)[CH2:5][C@:4]1(O)[C:3](=O)[C:2]([CH3:19])=[CH:1][C@@:10]1([H])[C@@:9]2(O)[C@H:11]([CH3:18])[CH2:12][C@@:13]4(O[C:13001]([CH3:13002])=O)[C@:15]([CH3:17])([CH3:16])[C@@:14]34[H]', '[H][C@@]23C=C(C=O)C[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]2(O)[C@H](C)C[C@@]4(OC(C)=O)[C@](C)(C)[C@@]34[H]', '[H][C@@:41]23[CH:158]=[C:143]([CH:194]=O)[CH2:34][C@:73]1(O)[C:208](=O)[C:134]([CH3:10])=[CH:160][C@@:56]1([H])[C@@:77]2(O)[C@H:37]([CH3:19])[CH2:32][C@@:63]4(O[C:173]([CH3:21])=O)[C@:23]([CH3:15])([CH3:23])[C@@:32]34[H]', '31 34 H 18.51 -10.75 H 16.17 -10.55 H 20.45 -11.85 C:13002 21.48 -6.26 C:19 12.20 -11.05 C:18 16.05 -8.80 C:17 22.28 -9.54 C:16 22.28 -11.05 O 17.32 -16.63 O 19.13 -6.82 O 13.20 -14.01 O 14.94 -14.20 O 17.32 -12.41 C:20 18.21 -15.57 C:1 14.74 -10.65 C:7 18.70 -13.16 C:5 16.27 -14.08 C:12 18.51 -8.80 O 20.79 -8.57 C:13001 20.45 -7.22 C:2 13.59 -11.50 C:6 17.70 -14.20 C:3 14.03 -12.87 C:11 17.32 -9.54 C:15 21.04 -10.31 C:8 18.51 -11.72 C:10 15.92 -11.50 C:14 19.77 -11.05 C:4 15.45 -12.87 C:9 17.32 -10.99 C:13 19.77 -9.54 26 1 -1 27 2 -2 28 3 -2 4 20 1 5 21 1 24 6 -2 25 7 -1 25 8 -2 9 14 2 10 20 2 11 23 2 29 12 -1 30 13 -2 14 22 1 15 21 2 15 27 1 16 22 2 16 26 1 17 22 1 17 29 1 18 24 1 18 31 1 19 20 1 31 19 -2 21 23 1 23 29 1 24 30 1 25 28 1 25 31 1 26 28 1 26 30 1 27 29 1 27 30 1 28 31 1', '31 34 H 18.51 -10.75 H 16.17 -10.55 H 20.45 -11.85 C 21.48 -6.26 C 12.20 -11.05 C 16.05 -8.80 C 22.28 -9.54 C 22.28 -11.05 O 17.32 -16.63 O 19.13 -6.82 O 13.20 -14.01 O 14.94 -14.20 O 17.32 -12.41 C 18.21 -15.57 C 14.74 -10.65 C 18.70 -13.16 C 16.27 -14.08 C 18.51 -8.80 O 20.79 -8.57 C 20.45 -7.22 C 13.59 -11.50 C 17.70 -14.20 C 14.03 -12.87 C 17.32 -9.54 C 21.04 -10.31 C 18.51 -11.72 C 15.92 -11.50 C 19.77 -11.05 C 15.45 -12.87 C 17.32 -10.99 C 19.77 -9.54 26 1 -1 27 2 -2 28 3 -2 4 20 1 5 21 1 24 6 -2 25 7 -1 25 8 -2 9 14 2 10 20 2 11 23 2 29 12 -1 30 13 -2 14 22 1 15 21 2 15 27 1 16 22 2 16 26 1 17 22 1 17 29 1 18 24 1 18 31 1 19 20 1 31 19 -2 21 23 1 23 29 1 24 30 1 25 28 1 25 31 1 26 28 1 26 30 1 27 29 1 27 30 1 28 31 1', '31 34 H 18.51 -10.75 H 16.17 -10.55 H 20.45 -11.85 C:21 21.48 -6.26 C:10 12.20 -11.05 C:19 16.05 -8.80 C:15 22.28 -9.54 C:23 22.28 -11.05 O 17.32 -16.63 O 19.13 -6.82 O 13.20 -14.01 O 14.94 -14.20 O 17.32 -12.41 C:194 18.21 -15.57 C:160 14.74 -10.65 C:158 18.70 -13.16 C:34 16.27 -14.08 C:32 18.51 -8.80 O 20.79 -8.57 C:173 20.45 -7.22 C:134 13.59 -11.50 C:143 17.70 -14.20 C:208 14.03 -12.87 C:37 17.32 -9.54 C:23 21.04 -10.31 C:41 18.51 -11.72 C:56 15.92 -11.50 C:32 19.77 -11.05 C:73 15.45 -12.87 C:77 17.32 -10.99 C:63 19.77 -9.54 26 1 -1 27 2 -2 28 3 -2 4 20 1 5 21 1 24 6 -2 25 7 -1 25 8 -2 9 14 2 10 20 2 11 23 2 29 12 -1 30 13 -2 14 22 1 15 21 2 15 27 1 16 22 2 16 26 1 17 22 1 17 29 1 18 24 1 18 31 1 19 20 1 31 19 -2 21 23 1 23 29 1 24 30 1 25 28 1 25 31 1 26 28 1 26 30 1 27 29 1 27 30 1 28 31 1', 'C22H28O6', 388.256, 'C', 'np06_967_5', 3830, '', '', '1', 1, NULL, NULL),
(15160, '', '12-Deoxyphorbaldehyde-13-hexadecacetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:8]23[CH:7]=[C:6]([CH:20]=O)[CH2:5][C@:4]1(O)[C:3](=O)[C:2]([CH3:19])=[CH:1][C@@:10]1([H])[C@@:9]2(O)[C@H:11]([CH3:18])[CH2:12][C@@:13]4(O[C:13001](=O)[CH2:13002][CH2:13003][CH2:13004][CH2:13005][CH2:13006][CH2:13007][CH2:13008][CH2:13009][CH2:13010][CH2:13011][CH2:13012][CH2:13013][CH2:13014][CH2:13015][CH3:13016])[C@@:15]([CH3:16])([CH3:17])[C@@:14]34[H]', '[H][C@@]23C=C(C=O)C[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]2(O)[C@H](C)C[C@@]4(OC(=O)CCCCCCCCCCCCCCC)[C@@](C)(C)[C@@]34[H]', '[H][C@@:42]23[CH:158]=[C:143]([CH:194]=O)[CH2:35][C@:73]1(O)[C:208](=O)[C:134]([CH3:10])=[CH:161][C@@:56]1([H])[C@@:77]2(O)[C@H:37]([CH3:19])[CH2:32][C@@:63]4(O[C:176](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:30][CH2:30][CH2:30][CH2:30][CH2:30][CH2:32][CH2:23][CH3:14])[C@@:23]([CH3:23])([CH3:15])[C@@:32]34[H]', '45 48 H 16.37 -18.81 H 14.03 -18.61 H 18.31 -19.91 C:13016 24.38 1.89 C:19 10.07 -19.11 C:18 13.91 -16.86 C:16 20.14 -19.11 C:17 20.14 -17.60 O 15.18 -24.69 O 16.99 -14.88 O 11.07 -22.07 O 12.81 -22.26 O 15.18 -20.47 C:20 16.07 -23.63 C:1 12.61 -18.71 C:7 16.56 -21.22 C:13015 23.35 0.94 C:13014 23.66 -0.43 C:13013 22.63 -1.38 C:13012 22.94 -2.75 C:13011 21.91 -3.70 C:13010 22.22 -5.07 C:13009 21.19 -6.02 C:13008 21.50 -7.38 C:13007 20.47 -8.32 C:13006 20.78 -9.69 C:13005 19.75 -10.64 C:13004 20.06 -12.00 C:13003 19.03 -12.95 C:13002 19.34 -14.32 C:5 14.13 -22.14 C:12 16.37 -16.86 O 18.65 -16.63 C:2 11.46 -19.56 C:13001 18.31 -15.28 C:6 15.56 -22.26 C:3 11.90 -20.93 C:11 15.18 -17.60 C:15 18.90 -18.37 C:8 16.37 -19.78 C:10 13.78 -19.56 C:14 17.63 -19.11 C:4 13.32 -20.93 C:9 15.18 -19.05 C:13 17.63 -17.60 40 1 -1 41 2 -2 42 3 -2 4 17 1 5 34 1 38 6 -2 39 7 -2 39 8 -1 9 14 2 10 35 2 11 37 2 43 12 -1 44 13 -2 14 36 1 15 34 2 15 41 1 16 36 2 16 40 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 1 30 35 1 31 36 1 31 43 1 32 38 1 32 45 1 33 35 1 45 33 -2 34 37 1 37 43 1 38 44 1 39 42 1 39 45 1 40 42 1 40 44 1 41 43 1 41 44 1 42 45 1', '45 48 H 16.37 -18.81 H 14.03 -18.61 H 18.31 -19.91 C 24.38 1.89 C 10.07 -19.11 C 13.91 -16.86 C 20.14 -19.11 C 20.14 -17.60 O 15.18 -24.69 O 16.99 -14.88 O 11.07 -22.07 O 12.81 -22.26 O 15.18 -20.47 C 16.07 -23.63 C 12.61 -18.71 C 16.56 -21.22 C 23.35 0.94 C 23.66 -0.43 C 22.63 -1.38 C 22.94 -2.75 C 21.91 -3.70 C 22.22 -5.07 C 21.19 -6.02 C 21.50 -7.38 C 20.47 -8.32 C 20.78 -9.69 C 19.75 -10.64 C 20.06 -12.00 C 19.03 -12.95 C 19.34 -14.32 C 14.13 -22.14 C 16.37 -16.86 O 18.65 -16.63 C 11.46 -19.56 C 18.31 -15.28 C 15.56 -22.26 C 11.90 -20.93 C 15.18 -17.60 C 18.90 -18.37 C 16.37 -19.78 C 13.78 -19.56 C 17.63 -19.11 C 13.32 -20.93 C 15.18 -19.05 C 17.63 -17.60 40 1 -1 41 2 -2 42 3 -2 4 17 1 5 34 1 38 6 -2 39 7 -2 39 8 -1 9 14 2 10 35 2 11 37 2 43 12 -1 44 13 -2 14 36 1 15 34 2 15 41 1 16 36 2 16 40 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 1 30 35 1 31 36 1 31 43 1 32 38 1 32 45 1 33 35 1 45 33 -2 34 37 1 37 43 1 38 44 1 39 42 1 39 45 1 40 42 1 40 44 1 41 43 1 41 44 1 42 45 1', '45 48 H 16.37 -18.81 H 14.03 -18.61 H 18.31 -19.91 C:14 24.38 1.89 C:10 10.07 -19.11 C:19 13.91 -16.86 C:23 20.14 -19.11 C:15 20.14 -17.60 O 15.18 -24.69 O 16.99 -14.88 O 11.07 -22.07 O 12.81 -22.26 O 15.18 -20.47 C:194 16.07 -23.63 C:161 12.61 -18.71 C:158 16.56 -21.22 C:23 23.35 0.94 C:32 23.66 -0.43 C:30 22.63 -1.38 C:30 22.94 -2.75 C:30 21.91 -3.70 C:30 22.22 -5.07 C:30 21.19 -6.02 C:29 21.50 -7.38 C:29 20.47 -8.32 C:29 20.78 -9.69 C:29 19.75 -10.64 C:29 20.06 -12.00 C:25 19.03 -12.95 C:34 19.34 -14.32 C:35 14.13 -22.14 C:32 16.37 -16.86 O 18.65 -16.63 C:134 11.46 -19.56 C:176 18.31 -15.28 C:143 15.56 -22.26 C:208 11.90 -20.93 C:37 15.18 -17.60 C:23 18.90 -18.37 C:42 16.37 -19.78 C:56 13.78 -19.56 C:32 17.63 -19.11 C:73 13.32 -20.93 C:77 15.18 -19.05 C:63 17.63 -17.60 40 1 -1 41 2 -2 42 3 -2 4 17 1 5 34 1 38 6 -2 39 7 -2 39 8 -1 9 14 2 10 35 2 11 37 2 43 12 -1 44 13 -2 14 36 1 15 34 2 15 41 1 16 36 2 16 40 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 1 30 35 1 31 36 1 31 43 1 32 38 1 32 45 1 33 35 1 45 33 -2 34 37 1 37 43 1 38 44 1 39 42 1 39 45 1 40 42 1 40 44 1 41 43 1 41 44 1 42 45 1', 'C36H56O6', 584.405, 'C', 'np06_967_6', 3830, '', '', '1', 1, NULL, NULL),
(15161, '', '12-Deoxyphorbol-13-(9Z)-octadecanoate-20-acetate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:8]23[CH:7]=[C:6]([CH2:20]O[C:20001]([CH3:20002])=O)[CH2:5][C@:4]1(O)[C:3](=O)[C:2]([CH3:19])=[CH:1][C@@:10]1([H])[C@@:9]2(O)[C@H:11]([CH3:18])[CH2:12][C@@:13]4(O[C:13001](=O)[CH2:13002][CH2:13003][CH2:13004][CH2:13005][CH2:13006][CH2:13007][CH2:13008][CH:13009]=[CH:13010][CH2:13011][CH2:13012][CH2:13013][CH2:13014][CH2:13015][CH2:13016][CH2:13017][CH3:13018])[C@:15]([CH3:17])([CH3:16])[C@@:14]34[H]', '[H][C@@]23C=C(COC(C)=O)C[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]2(O)[C@H](C)C[C@@]4(OC(=O)CCCCCCCC=CCCCCCCCC)[C@](C)(C)[C@@]34[H]', '[H][C@@:40]23[CH:134]=[C:135]([CH2:69]O[C:173]([CH3:21])=O)[CH2:39][C@:74]1(O)[C:209](=O)[C:133]([CH3:10])=[CH:161][C@@:56]1([H])[C@@:76]2(O)[C@H:36]([CH3:19])[CH2:32][C@@:64]4(O[C:174](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:29][CH2:30][CH2:30][CH:9999]=[CH:9999][CH2:29][CH2:29][CH2:29][CH2:30][CH2:30][CH2:32][CH2:23][CH3:14])[C@:23]([CH3:15])([CH3:23])[C@@:32]34[H]', '50 53 H 16.03 -18.79 H 13.69 -18.59 H 17.97 -19.90 C:13018 24.75 4.21 C:20002 14.41 -27.06 C:19 9.72 -19.09 C:18 13.57 -16.84 C:17 19.80 -17.58 C:16 19.80 -19.09 O 16.69 -26.23 O 16.69 -14.87 O 10.72 -22.07 O 12.47 -22.26 O 14.84 -20.46 C:13010 21.87 -5.07 C:13009 20.84 -6.02 C:1 12.27 -18.69 C:7 16.22 -21.21 C:13017 23.73 3.26 C:13011 21.56 -3.70 C:13008 21.15 -7.38 C:13016 24.03 1.89 C:13012 22.59 -2.75 C:13007 20.12 -8.32 C:13015 23.00 0.94 C:13013 22.28 -1.38 C:13006 20.43 -9.68 C:13014 23.31 -0.43 C:13005 19.41 -10.63 C:13004 19.72 -11.99 C:13003 18.69 -12.94 C:13002 19.00 -14.31 C:20 15.73 -23.63 C:5 13.79 -22.14 C:12 16.03 -16.84 O 14.84 -24.69 O 18.31 -16.61 C:20001 15.31 -25.99 C:2 11.11 -19.55 C:13001 17.97 -15.27 C:6 15.22 -22.26 C:3 11.56 -20.92 C:11 14.84 -17.58 C:15 18.56 -18.35 C:8 16.03 -19.77 C:10 13.44 -19.55 C:14 17.29 -19.09 C:4 12.98 -20.92 C:9 14.84 -19.03 C:13 17.29 -17.58 45 1 -1 46 2 -2 47 3 -2 4 19 1 5 38 1 6 39 1 43 7 -2 44 8 -1 44 9 -2 10 38 2 11 40 2 12 42 2 48 13 -1 49 14 -2 15 16 2 15 20 1 16 21 1 17 39 2 17 46 1 18 41 2 18 45 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 28 1 27 29 1 29 30 1 30 31 1 31 32 1 32 40 1 33 36 1 33 41 1 34 41 1 34 48 1 35 43 1 35 50 1 36 38 1 37 40 1 50 37 -2 39 42 1 42 48 1 43 49 1 44 47 1 44 50 1 45 47 1 45 49 1 46 48 1 46 49 1 47 50 1', '50 53 H 16.03 -18.79 H 13.69 -18.59 H 17.97 -19.90 C 24.75 4.21 C 14.41 -27.06 C 9.72 -19.09 C 13.57 -16.84 C 19.80 -17.58 C 19.80 -19.09 O 16.69 -26.23 O 16.69 -14.87 O 10.72 -22.07 O 12.47 -22.26 O 14.84 -20.46 C 21.87 -5.07 C 20.84 -6.02 C 12.27 -18.69 C 16.22 -21.21 C 23.73 3.26 C 21.56 -3.70 C 21.15 -7.38 C 24.03 1.89 C 22.59 -2.75 C 20.12 -8.32 C 23.00 0.94 C 22.28 -1.38 C 20.43 -9.68 C 23.31 -0.43 C 19.41 -10.63 C 19.72 -11.99 C 18.69 -12.94 C 19.00 -14.31 C 15.73 -23.63 C 13.79 -22.14 C 16.03 -16.84 O 14.84 -24.69 O 18.31 -16.61 C 15.31 -25.99 C 11.11 -19.55 C 17.97 -15.27 C 15.22 -22.26 C 11.56 -20.92 C 14.84 -17.58 C 18.56 -18.35 C 16.03 -19.77 C 13.44 -19.55 C 17.29 -19.09 C 12.98 -20.92 C 14.84 -19.03 C 17.29 -17.58 45 1 -1 46 2 -2 47 3 -2 4 19 1 5 38 1 6 39 1 43 7 -2 44 8 -1 44 9 -2 10 38 2 11 40 2 12 42 2 48 13 -1 49 14 -2 15 16 2 15 20 1 16 21 1 17 39 2 17 46 1 18 41 2 18 45 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 28 1 27 29 1 29 30 1 30 31 1 31 32 1 32 40 1 33 36 1 33 41 1 34 41 1 34 48 1 35 43 1 35 50 1 36 38 1 37 40 1 50 37 -2 39 42 1 42 48 1 43 49 1 44 47 1 44 50 1 45 47 1 45 49 1 46 48 1 46 49 1 47 50 1', '50 53 H 16.03 -18.79 H 13.69 -18.59 H 17.97 -19.90 C:14 24.75 4.21 C:21 14.41 -27.06 C:10 9.72 -19.09 C:19 13.57 -16.84 C:15 19.80 -17.58 C:23 19.80 -19.09 O 16.69 -26.23 O 16.69 -14.87 O 10.72 -22.07 O 12.47 -22.26 O 14.84 -20.46 C 21.87 -5.07 C 20.84 -6.02 C:161 12.27 -18.69 C:134 16.22 -21.21 C:23 23.73 3.26 C:29 21.56 -3.70 C:30 21.15 -7.38 C:32 24.03 1.89 C:29 22.59 -2.75 C:30 20.12 -8.32 C:30 23.00 0.94 C:29 22.28 -1.38 C:29 20.43 -9.68 C:30 23.31 -0.43 C:29 19.41 -10.63 C:29 19.72 -11.99 C:25 18.69 -12.94 C:34 19.00 -14.31 C:69 15.73 -23.63 C:39 13.79 -22.14 C:32 16.03 -16.84 O 14.84 -24.69 O 18.31 -16.61 C:173 15.31 -25.99 C:133 11.11 -19.55 C:174 17.97 -15.27 C:135 15.22 -22.26 C:209 11.56 -20.92 C:36 14.84 -17.58 C:23 18.56 -18.35 C:40 16.03 -19.77 C:56 13.44 -19.55 C:32 17.29 -19.09 C:74 12.98 -20.92 C:76 14.84 -19.03 C:64 17.29 -17.58 45 1 -1 46 2 -2 47 3 -2 4 19 1 5 38 1 6 39 1 43 7 -2 44 8 -1 44 9 -2 10 38 2 11 40 2 12 42 2 48 13 -1 49 14 -2 15 16 2 15 20 1 16 21 1 17 39 2 17 46 1 18 41 2 18 45 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 28 1 27 29 1 29 30 1 30 31 1 31 32 1 32 40 1 33 36 1 33 41 1 34 41 1 34 48 1 35 43 1 35 50 1 36 38 1 37 40 1 50 37 -2 39 42 1 42 48 1 43 49 1 44 47 1 44 50 1 45 47 1 45 49 1 46 48 1 46 49 1 47 50 1', 'C40H62O7', 654.448, 'C', 'np06_967_7', 3830, '', '', '1', 1, NULL, NULL),
(15162, '', '4,12-Dideoxy(4α)phorbol-13-hexadecanoate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@@:4]34[CH2:5][C:6]([CH2:20]O)=[CH:7][C@@:8]2([H])[C@:14]1([H])[C@@:15]([CH3:17])([CH3:16])[C@:13]1(O[C:13001](=O)[CH2:13002][CH2:13003][CH2:13004][CH2:13005][CH2:13006][CH2:13007][CH2:13008][CH2:13009][CH2:13010][CH2:13011][CH2:13012][CH2:13013][CH2:13014][CH2:13015][CH3:13016])[CH2:12][C@@H:11]([CH3:18])[C@:9]2(O)[C@:10]3([H])[CH:1]=[C:2]([CH3:19])[C:3]4=O', '[H][C@@]34CC(CO)=C[C@@]2([H])[C@]1([H])[C@@](C)(C)[C@]1(OC(=O)CCCCCCCCCCCCCCC)C[C@@H](C)[C@]2(O)[C@]3([H])C=C(C)C4=O', '[H][C@@:50]34[CH2:25][C:136]([CH2:70]O)=[CH:128][C@@:41]2([H])[C@:33]1([H])[C@@:23]([CH3:15])([CH3:24])[C@:63]1(O[C:176](=O)[CH2:35][CH2:25][CH2:23][CH2:29][CH2:29][CH2:29][CH2:29][CH2:30][CH2:30][CH2:30][CH2:30][CH2:30][CH2:30][CH2:32][CH3:14])[CH2:31][C@@H:37]([CH3:16])[C@:76]2(O)[C@:47]3([H])[CH:157]=[C:143]([CH3:10])[C:214]4=O', '45 48 H 12.99 -21.98 H 14.05 -18.71 H 16.40 -18.91 H 18.36 -20.01 C:13016 24.47 1.92 C:19 10.07 -19.21 C:18 13.93 -16.94 C:17 20.21 -17.69 C:16 20.21 -19.21 O 17.03 -14.95 O 11.07 -22.19 O 15.21 -24.82 O 15.21 -20.58 C:1 12.62 -18.81 C:7 16.60 -21.33 C:13015 23.44 0.97 C:20 16.10 -23.76 C:13014 23.75 -0.41 C:13013 22.71 -1.37 C:13012 23.03 -2.75 C:13011 21.99 -3.70 C:13010 22.30 -5.08 C:13009 21.26 -6.04 C:13008 21.58 -7.41 C:13007 20.54 -8.35 C:13006 20.85 -9.73 C:13005 19.82 -10.69 C:13004 20.13 -12.05 C:13003 19.09 -13.01 C:13002 19.40 -14.39 C:5 14.15 -22.26 C:12 16.40 -16.94 O 18.70 -16.71 C:2 11.46 -19.66 C:13001 18.36 -15.35 C:6 15.59 -22.38 C:3 11.91 -21.04 C:11 15.21 -17.69 C:15 18.95 -18.46 C:4 13.34 -21.04 C:10 13.80 -19.66 C:8 16.40 -19.88 C:14 17.67 -19.21 C:9 15.21 -19.15 C:13 17.67 -17.69 40 1 -2 41 2 -2 42 3 -1 43 4 -2 5 16 1 6 34 1 38 7 -2 39 8 -1 39 9 -2 10 35 2 11 37 2 12 17 1 44 13 -2 14 34 2 14 41 1 15 36 2 15 42 1 16 18 1 17 36 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 1 30 35 1 31 36 1 31 40 1 32 38 1 32 45 1 33 35 1 45 33 -2 34 37 1 37 40 1 38 44 1 39 43 1 39 45 1 40 41 1 41 44 1 42 43 1 42 44 1 43 45 1', '45 48 H 12.99 -21.98 H 14.05 -18.71 H 16.40 -18.91 H 18.36 -20.01 C 24.47 1.92 C 10.07 -19.21 C 13.93 -16.94 C 20.21 -17.69 C 20.21 -19.21 O 17.03 -14.95 O 11.07 -22.19 O 15.21 -24.82 O 15.21 -20.58 C 12.62 -18.81 C 16.60 -21.33 C 23.44 0.97 C 16.10 -23.76 C 23.75 -0.41 C 22.71 -1.37 C 23.03 -2.75 C 21.99 -3.70 C 22.30 -5.08 C 21.26 -6.04 C 21.58 -7.41 C 20.54 -8.35 C 20.85 -9.73 C 19.82 -10.69 C 20.13 -12.05 C 19.09 -13.01 C 19.40 -14.39 C 14.15 -22.26 C 16.40 -16.94 O 18.70 -16.71 C 11.46 -19.66 C 18.36 -15.35 C 15.59 -22.38 C 11.91 -21.04 C 15.21 -17.69 C 18.95 -18.46 C 13.34 -21.04 C 13.80 -19.66 C 16.40 -19.88 C 17.67 -19.21 C 15.21 -19.15 C 17.67 -17.69 40 1 -2 41 2 -2 42 3 -1 43 4 -2 5 16 1 6 34 1 38 7 -2 39 8 -1 39 9 -2 10 35 2 11 37 2 12 17 1 44 13 -2 14 34 2 14 41 1 15 36 2 15 42 1 16 18 1 17 36 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 1 30 35 1 31 36 1 31 40 1 32 38 1 32 45 1 33 35 1 45 33 -2 34 37 1 37 40 1 38 44 1 39 43 1 39 45 1 40 41 1 41 44 1 42 43 1 42 44 1 43 45 1', '45 48 H 12.99 -21.98 H 14.05 -18.71 H 16.40 -18.91 H 18.36 -20.01 C:14 24.47 1.92 C:10 10.07 -19.21 C:16 13.93 -16.94 C:15 20.21 -17.69 C:24 20.21 -19.21 O 17.03 -14.95 O 11.07 -22.19 O 15.21 -24.82 O 15.21 -20.58 C:157 12.62 -18.81 C:128 16.60 -21.33 C:32 23.44 0.97 C:70 16.10 -23.76 C:30 23.75 -0.41 C:30 22.71 -1.37 C:30 23.03 -2.75 C:30 21.99 -3.70 C:30 22.30 -5.08 C:30 21.26 -6.04 C:29 21.58 -7.41 C:29 20.54 -8.35 C:29 20.85 -9.73 C:29 19.82 -10.69 C:23 20.13 -12.05 C:25 19.09 -13.01 C:35 19.40 -14.39 C:25 14.15 -22.26 C:31 16.40 -16.94 O 18.70 -16.71 C:143 11.46 -19.66 C:176 18.36 -15.35 C:136 15.59 -22.38 C:214 11.91 -21.04 C:37 15.21 -17.69 C:23 18.95 -18.46 C:50 13.34 -21.04 C:47 13.80 -19.66 C:41 16.40 -19.88 C:33 17.67 -19.21 C:76 15.21 -19.15 C:63 17.67 -17.69 40 1 -2 41 2 -2 42 3 -1 43 4 -2 5 16 1 6 34 1 38 7 -2 39 8 -1 39 9 -2 10 35 2 11 37 2 12 17 1 44 13 -2 14 34 2 14 41 1 15 36 2 15 42 1 16 18 1 17 36 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 1 30 35 1 31 36 1 31 40 1 32 38 1 32 45 1 33 35 1 45 33 -2 34 37 1 37 40 1 38 44 1 39 43 1 39 45 1 40 41 1 41 44 1 42 43 1 42 44 1 43 45 1', 'C36H58O5', 570.414, 'C', 'ph07_1255_1', 3831, '', '', '1', 1, NULL, NULL),
(15163, '', '24-Methylenecycloartane-3,28-diol', 'Terpenoids', 'Triterpenoids', 'Cycloartanes', '[H][C@:17]4([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[CH:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]5([CH3:30])[C@:8]2([H])[CH2:7][CH2:6][C@@:5]1([H])[C@:4]([CH3:29])([CH2:28]O)[C@@H:3](O)[CH2:2][CH2:1][C@@:10]13[CH2:19][C@@:9]23[CH2:11][CH2:12][C@:13]45[CH3:18]', '[H][C@]4([C@H](C)CCC(=C)C(C)C)CC[C@@]5(C)[C@]2([H])CC[C@@]1([H])[C@](C)(CO)[C@@H](O)CC[C@@]13C[C@@]23CC[C@]45C', '[H][C@:52]4([C@H:36]([CH3:18])[CH2:35][CH2:31][C:157](=[CH2:106])[CH:34]([CH3:22])[CH3:22])[CH2:27][CH2:33][C@@:49]5([CH3:19])[C@:48]2([H])[CH2:26][CH2:21][C@@:43]1([H])[C@:44]([CH3:10])([CH2:71]O)[C@@H:77](O)[CH2:30][CH2:32][C@@:27]13[CH2:30][C@@:20]23[CH2:28][CH2:36][C@:45]45[CH3:18]', '36 40 H 18.18 -9.93 H 13.29 -14.16 H 15.75 -10.49 C:24001 22.99 -6.82 C:26 24.94 -8.91 C:27 23.07 -10.58 C:21 17.85 -6.62 C:29 11.11 -14.99 C:18 17.03 -8.05 C:30 17.03 -12.29 O 12.27 -16.22 O 9.60 -13.75 C:28 12.87 -14.99 C:23 21.16 -8.45 C:22 20.21 -7.37 C:2 10.81 -11.59 C:16 19.20 -10.19 C:1 12.05 -10.90 C:6 14.54 -13.75 C:7 15.75 -13.04 C:15 18.33 -11.32 C:12 15.75 -8.75 C:11 14.54 -9.48 C:19 13.29 -10.19 C:24 22.55 -8.15 C:25 23.51 -9.20 C:20 18.79 -7.69 C:3 10.81 -13.04 C:17 18.33 -9.03 C:5 13.29 -13.04 C:8 15.75 -11.59 C:4 12.05 -13.75 C:13 17.03 -9.48 C:14 17.03 -10.90 C:10 13.29 -11.59 C:9 14.54 -10.90 29 1 -2 30 2 -2 31 3 -1 4 25 2 5 26 1 6 26 1 27 7 -2 32 8 -1 33 9 -1 34 10 -2 11 13 1 28 12 -1 32 13 -2 14 15 1 14 25 1 15 27 1 16 18 1 16 28 1 17 21 1 17 29 1 18 35 1 19 20 1 19 30 1 20 31 1 21 34 1 22 23 1 22 33 1 23 36 1 35 24 -1 36 24 -1 25 26 1 27 29 1 28 32 1 29 33 1 30 32 1 30 35 1 31 34 1 31 36 1 33 34 1 35 36 1', '36 40 H 18.18 -9.93 H 13.29 -14.16 H 15.75 -10.49 C 22.99 -6.82 C 24.94 -8.91 C 23.07 -10.58 C 17.85 -6.62 C 11.11 -14.99 C 17.03 -8.05 C 17.03 -12.29 O 12.27 -16.22 O 9.60 -13.75 C 12.87 -14.99 C 21.16 -8.45 C 20.21 -7.37 C 10.81 -11.59 C 19.20 -10.19 C 12.05 -10.90 C 14.54 -13.75 C 15.75 -13.04 C 18.33 -11.32 C 15.75 -8.75 C 14.54 -9.48 C 13.29 -10.19 C 22.55 -8.15 C 23.51 -9.20 C 18.79 -7.69 C 10.81 -13.04 C 18.33 -9.03 C 13.29 -13.04 C 15.75 -11.59 C 12.05 -13.75 C 17.03 -9.48 C 17.03 -10.90 C 13.29 -11.59 C 14.54 -10.90 29 1 -2 30 2 -2 31 3 -1 4 25 2 5 26 1 6 26 1 27 7 -2 32 8 -1 33 9 -1 34 10 -2 11 13 1 28 12 -1 32 13 -2 14 15 1 14 25 1 15 27 1 16 18 1 16 28 1 17 21 1 17 29 1 18 35 1 19 20 1 19 30 1 20 31 1 21 34 1 22 23 1 22 33 1 23 36 1 35 24 -1 36 24 -1 25 26 1 27 29 1 28 32 1 29 33 1 30 32 1 30 35 1 31 34 1 31 36 1 33 34 1 35 36 1', '36 40 H 18.18 -9.93 H 13.29 -14.16 H 15.75 -10.49 C:106 22.99 -6.82 C:22 24.94 -8.91 C:22 23.07 -10.58 C:18 17.85 -6.62 C:10 11.11 -14.99 C:18 17.03 -8.05 C:19 17.03 -12.29 O 12.27 -16.22 O 9.60 -13.75 C:71 12.87 -14.99 C:31 21.16 -8.45 C:35 20.21 -7.37 C:30 10.81 -11.59 C:27 19.20 -10.19 C:32 12.05 -10.90 C:21 14.54 -13.75 C:26 15.75 -13.04 C:33 18.33 -11.32 C:36 15.75 -8.75 C:28 14.54 -9.48 C:30 13.29 -10.19 C:157 22.55 -8.15 C:34 23.51 -9.20 C:36 18.79 -7.69 C:77 10.81 -13.04 C:52 18.33 -9.03 C:43 13.29 -13.04 C:48 15.75 -11.59 C:44 12.05 -13.75 C:45 17.03 -9.48 C:49 17.03 -10.90 C:27 13.29 -11.59 C:20 14.54 -10.90 29 1 -2 30 2 -2 31 3 -1 4 25 2 5 26 1 6 26 1 27 7 -2 32 8 -1 33 9 -1 34 10 -2 11 13 1 28 12 -1 32 13 -2 14 15 1 14 25 1 15 27 1 16 18 1 16 28 1 17 21 1 17 29 1 18 35 1 19 20 1 19 30 1 20 31 1 21 34 1 22 23 1 22 33 1 23 36 1 35 24 -1 36 24 -1 25 26 1 27 29 1 28 32 1 29 33 1 30 32 1 30 35 1 31 34 1 31 36 1 33 34 1 35 36 1', 'C31H52O2', 456.354, 'C', 'ph07_1255_2', 3831, '', '', '1', 1, NULL, NULL),
(15164, 'Cespihypotin M', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:10]13[CH2:9][C@H:8]([CH3:19])[CH2:7][C:6](=O)[CH2:5][C:4]([CH3:20])=[CH:3][CH2:2][C@:1]2([H])[CH2:14][CH2:13][C:12](=[C:11]1[C@:15]2([CH3:16])[CH3:17])[C:18](=O)O3', '[H][C@@]13C[C@H](C)CC(=O)CC(C)=CC[C@]2([H])CCC(=C1[C@]2(C)C)C(=O)O3', '[H][C@@:81]13[CH2:37][C@H:25]([CH3:24])[CH2:52][C:209](=O)[CH2:44][C:127]([CH3:25])=[CH:130][CH2:32][C@:44]2([H])[CH2:17][CH2:25][C:126](=[C:169]1[C@:38]2([CH3:25])[CH3:34])[C:175](=O)O3', '25 27 H 15.92 -8.14 H 17.06 -13.76 C:20 20.91 -14.71 C:19 20.30 -8.60 C:16 18.02 -10.21 C:17 18.28 -11.89 O 22.24 -10.21 O 12.29 -10.28 C:3 19.23 -13.61 C:2 18.28 -13.29 C:13 14.75 -12.58 C:14 15.92 -13.29 C:5 21.63 -12.58 C:7 19.83 -10.98 C:9 17.65 -8.79 O 14.50 -8.67 C:4 20.47 -13.38 C:6 21.26 -11.24 C:18 13.69 -10.10 C:12 14.75 -11.24 C:11 15.92 -10.54 C:8 19.23 -9.53 C:15 17.06 -11.24 C:10 15.92 -9.15 C:1 17.06 -12.58 24 1 -1 25 2 -1 3 17 1 22 4 -2 23 5 -1 23 6 -2 7 18 2 8 19 2 9 10 1 9 17 2 10 25 1 11 12 1 11 20 1 12 25 1 13 17 1 13 18 1 14 18 1 14 22 1 15 22 1 15 24 1 16 19 1 16 24 1 19 20 1 20 21 2 21 23 1 21 24 1 23 25 1', '25 27 H 15.92 -8.14 H 17.06 -13.76 C 20.91 -14.71 C 20.30 -8.60 C 18.02 -10.21 C 18.28 -11.89 O 22.24 -10.21 O 12.29 -10.28 C 19.23 -13.61 C 18.28 -13.29 C 14.75 -12.58 C 15.92 -13.29 C 21.63 -12.58 C 19.83 -10.98 C 17.65 -8.79 O 14.50 -8.67 C 20.47 -13.38 C 21.26 -11.24 C 13.69 -10.10 C 14.75 -11.24 C 15.92 -10.54 C 19.23 -9.53 C 17.06 -11.24 C 15.92 -9.15 C 17.06 -12.58 24 1 -1 25 2 -1 3 17 1 22 4 -2 23 5 -1 23 6 -2 7 18 2 8 19 2 9 10 1 9 17 2 10 25 1 11 12 1 11 20 1 12 25 1 13 17 1 13 18 1 14 18 1 14 22 1 15 22 1 15 24 1 16 19 1 16 24 1 19 20 1 20 21 2 21 23 1 21 24 1 23 25 1', '25 27 H 15.92 -8.14 H 17.06 -13.76 C:25 20.91 -14.71 C:24 20.30 -8.60 C:25 18.02 -10.21 C:34 18.28 -11.89 O 22.24 -10.21 O 12.29 -10.28 C:130 19.23 -13.61 C:32 18.28 -13.29 C:25 14.75 -12.58 C:17 15.92 -13.29 C:44 21.63 -12.58 C:52 19.83 -10.98 C:37 17.65 -8.79 O 14.50 -8.67 C:127 20.47 -13.38 C:209 21.26 -11.24 C:175 13.69 -10.10 C:126 14.75 -11.24 C:169 15.92 -10.54 C:25 19.23 -9.53 C:38 17.06 -11.24 C:81 15.92 -9.15 C:44 17.06 -12.58 24 1 -1 25 2 -1 3 17 1 22 4 -2 23 5 -1 23 6 -2 7 18 2 8 19 2 9 10 1 9 17 2 10 25 1 11 12 1 11 20 1 12 25 1 13 17 1 13 18 1 14 18 1 14 22 1 15 22 1 15 24 1 16 19 1 16 24 1 19 20 1 20 21 2 21 23 1 21 24 1 23 25 1', 'C20H28O3', 316.228, 'C', 'hca08_2308_1', 3832, '', '', '1', 1, NULL, NULL),
(15165, 'Cespihypotin N', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]14[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@:10]2(O)O[C@@H:18](O[CH3:18001])[C@@:12]3([CH2:13][CH2:14]1)O[C@@:11]23[C@:15]4([CH3:16])[CH3:17]', '[H][C@@]14CCC(=C)C[C@H](O)C=C(C)C[C@@]2(O)O[C@@H](OC)[C@@]3(CC1)O[C@@]23[C@]4(C)C', '[H][C@@:44]14[CH2:25][CH2:38][C:146](=[CH2:116])[CH2:46][C@H:69](O)[CH:133]=[C:133]([CH3:17])[CH2:41][C@@:94]2(O)O[C@@H:109](O[CH3:57])[C@@:80]3([CH2:25][CH2:34]1)O[C@@:73]23[C@:38]4([CH3:26])[CH3:25]', '27 30 H 17.47 -13.88 C:20 20.84 -14.90 C:18001 11.94 -9.35 C:19 20.67 -8.81 C:16 18.42 -10.38 C:17 18.68 -12.10 O 22.58 -10.38 O 16.35 -7.96 C:7 20.20 -11.14 C:3 19.71 -12.95 C:2 18.68 -13.43 C:14 16.35 -13.43 C:13 15.20 -12.72 C:5 21.99 -12.72 C:9 18.06 -9.00 O 12.78 -10.45 O 14.96 -8.88 O 16.35 -12.10 C:4 20.84 -13.52 C:8 19.61 -9.73 C:6 21.62 -11.40 C:18 14.17 -10.27 C:1 17.47 -12.72 C:15 17.47 -11.40 C:10 16.35 -9.35 C:12 15.20 -11.40 C:11 16.35 -10.71 23 1 -1 2 19 2 3 16 1 4 20 1 24 5 -1 24 6 -2 21 7 -1 25 8 -1 9 20 2 9 21 1 10 11 1 10 19 1 11 23 1 12 13 1 12 23 1 13 26 1 14 19 1 14 21 1 15 20 1 15 25 1 22 16 -2 17 22 1 17 25 1 26 18 -2 27 18 -2 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', '27 30 H 17.47 -13.88 C 20.84 -14.90 C 11.94 -9.35 C 20.67 -8.81 C 18.42 -10.38 C 18.68 -12.10 O 22.58 -10.38 O 16.35 -7.96 C 20.20 -11.14 C 19.71 -12.95 C 18.68 -13.43 C 16.35 -13.43 C 15.20 -12.72 C 21.99 -12.72 C 18.06 -9.00 O 12.78 -10.45 O 14.96 -8.88 O 16.35 -12.10 C 20.84 -13.52 C 19.61 -9.73 C 21.62 -11.40 C 14.17 -10.27 C 17.47 -12.72 C 17.47 -11.40 C 16.35 -9.35 C 15.20 -11.40 C 16.35 -10.71 23 1 -1 2 19 2 3 16 1 4 20 1 24 5 -1 24 6 -2 21 7 -1 25 8 -1 9 20 2 9 21 1 10 11 1 10 19 1 11 23 1 12 13 1 12 23 1 13 26 1 14 19 1 14 21 1 15 20 1 15 25 1 22 16 -2 17 22 1 17 25 1 26 18 -2 27 18 -2 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', '27 30 H 17.47 -13.88 C:116 20.84 -14.90 C:57 11.94 -9.35 C:17 20.67 -8.81 C:26 18.42 -10.38 C:25 18.68 -12.10 O 22.58 -10.38 O 16.35 -7.96 C:133 20.20 -11.14 C:38 19.71 -12.95 C:25 18.68 -13.43 C:34 16.35 -13.43 C:25 15.20 -12.72 C:46 21.99 -12.72 C:41 18.06 -9.00 O 12.78 -10.45 O 14.96 -8.88 O 16.35 -12.10 C:146 20.84 -13.52 C:133 19.61 -9.73 C:69 21.62 -11.40 C:109 14.17 -10.27 C:44 17.47 -12.72 C:38 17.47 -11.40 C:94 16.35 -9.35 C:80 15.20 -11.40 C:73 16.35 -10.71 23 1 -1 2 19 2 3 16 1 4 20 1 24 5 -1 24 6 -2 21 7 -1 25 8 -1 9 20 2 9 21 1 10 11 1 10 19 1 11 23 1 12 13 1 12 23 1 13 26 1 14 19 1 14 21 1 15 20 1 15 25 1 22 16 -2 17 22 1 17 25 1 26 18 -2 27 18 -2 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', 'C21H32O5', 364.23, 'C', 'hca08_2308_2', 3832, '', '', '1', 1, NULL, NULL),
(15166, 'Cespihypotin O', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]14[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@:10]2(O)O[C@H:18](O[CH3:18001])[C@@:12]3([CH2:13][CH2:14]1)O[C@@:11]23[C@@:15]4([CH3:17])[CH3:16]', '[H][C@@]14CCC(=C)C[C@H](O)C=C(C)C[C@@]2(O)O[C@H](OC)[C@@]3(CC1)O[C@@]23[C@@]4(C)C', '[H][C@@:44]14[CH2:26][CH2:38][C:146](=[CH2:116])[CH2:46][C@H:69](O)[CH:133]=[C:133]([CH3:17])[CH2:41][C@@:94]2(O)O[C@H:105](O[CH3:57])[C@@:78]3([CH2:32][CH2:34]1)O[C@@:73]23[C@@:38]4([CH3:25])[CH3:26]', '27 30 H 17.47 -13.89 C:20 20.84 -14.90 C:18001 11.94 -9.35 C:19 20.67 -8.81 C:17 18.68 -12.10 C:16 18.42 -10.38 O 22.58 -10.38 O 16.35 -7.96 C:7 20.20 -11.14 C:3 19.71 -12.95 C:2 18.68 -13.43 C:14 16.35 -13.43 C:13 15.20 -12.72 C:5 21.99 -12.72 C:9 18.06 -9.00 O 12.78 -10.45 O 14.96 -8.88 O 16.35 -12.10 C:4 20.84 -13.52 C:8 19.61 -9.73 C:6 21.62 -11.40 C:18 14.18 -10.27 C:1 17.47 -12.72 C:15 17.47 -11.40 C:10 16.35 -9.35 C:12 15.20 -11.40 C:11 16.35 -10.71 23 1 -1 2 19 2 3 16 1 4 20 1 24 5 -2 24 6 -1 21 7 -1 25 8 -1 9 20 2 9 21 1 10 11 1 10 19 1 11 23 1 12 13 1 12 23 1 13 26 1 14 19 1 14 21 1 15 20 1 15 25 1 22 16 -1 17 22 1 17 25 1 26 18 -2 27 18 -2 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', '27 30 H 17.47 -13.89 C 20.84 -14.90 C 11.94 -9.35 C 20.67 -8.81 C 18.68 -12.10 C 18.42 -10.38 O 22.58 -10.38 O 16.35 -7.96 C 20.20 -11.14 C 19.71 -12.95 C 18.68 -13.43 C 16.35 -13.43 C 15.20 -12.72 C 21.99 -12.72 C 18.06 -9.00 O 12.78 -10.45 O 14.96 -8.88 O 16.35 -12.10 C 20.84 -13.52 C 19.61 -9.73 C 21.62 -11.40 C 14.18 -10.27 C 17.47 -12.72 C 17.47 -11.40 C 16.35 -9.35 C 15.20 -11.40 C 16.35 -10.71 23 1 -1 2 19 2 3 16 1 4 20 1 24 5 -2 24 6 -1 21 7 -1 25 8 -1 9 20 2 9 21 1 10 11 1 10 19 1 11 23 1 12 13 1 12 23 1 13 26 1 14 19 1 14 21 1 15 20 1 15 25 1 22 16 -1 17 22 1 17 25 1 26 18 -2 27 18 -2 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', '27 30 H 17.47 -13.89 C:116 20.84 -14.90 C:57 11.94 -9.35 C:17 20.67 -8.81 C:25 18.68 -12.10 C:26 18.42 -10.38 O 22.58 -10.38 O 16.35 -7.96 C:133 20.20 -11.14 C:38 19.71 -12.95 C:26 18.68 -13.43 C:34 16.35 -13.43 C:32 15.20 -12.72 C:46 21.99 -12.72 C:41 18.06 -9.00 O 12.78 -10.45 O 14.96 -8.88 O 16.35 -12.10 C:146 20.84 -13.52 C:133 19.61 -9.73 C:69 21.62 -11.40 C:105 14.18 -10.27 C:44 17.47 -12.72 C:38 17.47 -11.40 C:94 16.35 -9.35 C:78 15.20 -11.40 C:73 16.35 -10.71 23 1 -1 2 19 2 3 16 1 4 20 1 24 5 -2 24 6 -1 21 7 -1 25 8 -1 9 20 2 9 21 1 10 11 1 10 19 1 11 23 1 12 13 1 12 23 1 13 26 1 14 19 1 14 21 1 15 20 1 15 25 1 22 16 -1 17 22 1 17 25 1 26 18 -2 27 18 -2 22 26 1 23 24 1 24 27 1 25 27 1 26 27 1', 'C21H32O5', 364.23, 'C', 'hca08_2308_3', 3832, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(15167, 'Cespihypotin P', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]12[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C:10](=O)[C:11](=[C:12]([C:18](=O)O[CH3:18001])[CH2:13][CH2:14]1)[C@@:15]2([CH3:17])[CH3:16]', '[H][C@@]12CCC(=C)C[C@H](O)C=C(C)CC(=O)C(=C(C(=O)OC)CC1)[C@@]2(C)C', '[H][C@@:42]12[CH2:33][CH2:34][C:147](=[CH2:115])[CH2:44][C@H:70](O)[CH:137]=[C:131]([CH3:18])[CH2:55][C:207](=O)[C:161](=[C:125]([C:167](=O)O[CH3:52])[CH2:22][CH2:24]1)[C@@:39]2([CH3:33])[CH3:25]', '26 27 H 17.67 -13.55 C:20 21.18 -14.85 C:18001 11.62 -10.44 C:19 20.95 -8.43 C:17 18.91 -11.82 C:16 18.62 -10.08 O 16.55 -8.06 O 14.01 -9.05 O 22.94 -10.14 C:7 20.50 -10.89 C:3 19.98 -12.79 C:13 15.23 -12.55 C:2 18.91 -13.28 C:14 16.43 -13.28 C:9 18.73 -8.99 C:5 22.40 -12.55 O 12.81 -11.13 C:4 21.18 -13.39 C:8 19.98 -9.72 C:10 17.28 -9.23 C:18 14.01 -10.44 C:12 15.23 -11.13 C:11 16.43 -10.44 C:6 22.00 -11.13 C:15 17.67 -11.13 C:1 17.67 -12.55 26 1 -1 2 18 2 3 17 1 4 19 1 25 5 -2 25 6 -1 7 20 2 8 21 2 24 9 -1 10 19 2 10 24 1 11 13 1 11 18 1 12 14 1 12 22 1 13 26 1 14 26 1 15 19 1 15 20 1 16 18 1 16 24 1 17 21 1 20 23 1 21 22 1 22 23 2 23 25 1 25 26 1', '26 27 H 17.67 -13.55 C 21.18 -14.85 C 11.62 -10.44 C 20.95 -8.43 C 18.91 -11.82 C 18.62 -10.08 O 16.55 -8.06 O 14.01 -9.05 O 22.94 -10.14 C 20.50 -10.89 C 19.98 -12.79 C 15.23 -12.55 C 18.91 -13.28 C 16.43 -13.28 C 18.73 -8.99 C 22.40 -12.55 O 12.81 -11.13 C 21.18 -13.39 C 19.98 -9.72 C 17.28 -9.23 C 14.01 -10.44 C 15.23 -11.13 C 16.43 -10.44 C 22.00 -11.13 C 17.67 -11.13 C 17.67 -12.55 26 1 -1 2 18 2 3 17 1 4 19 1 25 5 -2 25 6 -1 7 20 2 8 21 2 24 9 -1 10 19 2 10 24 1 11 13 1 11 18 1 12 14 1 12 22 1 13 26 1 14 26 1 15 19 1 15 20 1 16 18 1 16 24 1 17 21 1 20 23 1 21 22 1 22 23 2 23 25 1 25 26 1', '26 27 H 17.67 -13.55 C:115 21.18 -14.85 C:52 11.62 -10.44 C:18 20.95 -8.43 C:33 18.91 -11.82 C:25 18.62 -10.08 O 16.55 -8.06 O 14.01 -9.05 O 22.94 -10.14 C:137 20.50 -10.89 C:34 19.98 -12.79 C:22 15.23 -12.55 C:33 18.91 -13.28 C:24 16.43 -13.28 C:55 18.73 -8.99 C:44 22.40 -12.55 O 12.81 -11.13 C:147 21.18 -13.39 C:131 19.98 -9.72 C:207 17.28 -9.23 C:167 14.01 -10.44 C:125 15.23 -11.13 C:161 16.43 -10.44 C:70 22.00 -11.13 C:39 17.67 -11.13 C:42 17.67 -12.55 26 1 -1 2 18 2 3 17 1 4 19 1 25 5 -2 25 6 -1 7 20 2 8 21 2 24 9 -1 10 19 2 10 24 1 11 13 1 11 18 1 12 14 1 12 22 1 13 26 1 14 26 1 15 19 1 15 20 1 16 18 1 16 24 1 17 21 1 20 23 1 21 22 1 22 23 2 23 25 1 25 26 1', 'C21H30O4', 346.23, 'C', 'hca08_2308_4', 3832, '', '', '1', 1, NULL, NULL),
(15168, 'Cespitulactam D', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:10]13[CH2:9][C:8]([CH3:19])=[CH:7][C@@H:6](O)[CH2:5][C:4](=[CH2:20])[CH2:3][CH2:2][C@:1]2([H])[CH2:14][CH2:13][C:12](=[C:11]1[C@:15]2([CH3:16])[CH3:17])[C:18](=O)N3', '[H][C@@]13CC(C)=C[C@@H](O)CC(=C)CC[C@]2([H])CCC(=C1[C@]2(C)C)C(=O)N3', '[H][C@@:58]13[CH2:42][C:134]([CH3:19])=[CH:134][C@@H:68](O)[CH2:44][C:147](=[CH2:113])[CH2:32][CH2:18][C@:43]2([H])[CH2:24][CH2:32][C:163](=[C:132]1[C@:37]2([CH3:35])[CH3:25])[C:174](=O)N3', '25 27 H 15.92 -8.12 H 17.06 -13.72 C:20 20.46 -14.75 C:19 20.29 -8.60 C:16 18.02 -10.17 C:17 18.28 -11.85 O 12.32 -10.25 O 22.22 -10.17 C:7 19.82 -10.94 C:3 19.33 -12.77 C:13 14.76 -12.54 C:2 18.28 -13.24 C:14 15.92 -13.24 C:5 21.62 -12.54 C:9 17.65 -8.79 N 14.52 -8.67 C:4 20.46 -13.34 C:8 19.23 -9.52 C:18 13.71 -10.06 C:12 14.76 -11.20 C:11 15.92 -10.51 C:6 21.25 -11.20 C:10 15.92 -9.13 C:15 17.06 -11.20 C:1 17.06 -12.54 23 1 -1 25 2 -1 3 17 2 4 18 1 24 5 -1 24 6 -2 7 19 2 22 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 25 1 13 25 1 14 17 1 14 22 1 15 18 1 15 23 1 16 19 1 16 23 1 19 20 1 20 21 2 21 23 1 21 24 1 24 25 1', '25 27 H 15.92 -8.12 H 17.06 -13.72 C 20.46 -14.75 C 20.29 -8.60 C 18.02 -10.17 C 18.28 -11.85 O 12.32 -10.25 O 22.22 -10.17 C 19.82 -10.94 C 19.33 -12.77 C 14.76 -12.54 C 18.28 -13.24 C 15.92 -13.24 C 21.62 -12.54 C 17.65 -8.79 N 14.52 -8.67 C 20.46 -13.34 C 19.23 -9.52 C 13.71 -10.06 C 14.76 -11.20 C 15.92 -10.51 C 21.25 -11.20 C 15.92 -9.13 C 17.06 -11.20 C 17.06 -12.54 23 1 -1 25 2 -1 3 17 2 4 18 1 24 5 -1 24 6 -2 7 19 2 22 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 25 1 13 25 1 14 17 1 14 22 1 15 18 1 15 23 1 16 19 1 16 23 1 19 20 1 20 21 2 21 23 1 21 24 1 24 25 1', '25 27 H 15.92 -8.12 H 17.06 -13.72 C:113 20.46 -14.75 C:19 20.29 -8.60 C:35 18.02 -10.17 C:25 18.28 -11.85 O 12.32 -10.25 O 22.22 -10.17 C:134 19.82 -10.94 C:32 19.33 -12.77 C:32 14.76 -12.54 C:18 18.28 -13.24 C:24 15.92 -13.24 C:44 21.62 -12.54 C:42 17.65 -8.79 N 14.52 -8.67 C:147 20.46 -13.34 C:134 19.23 -9.52 C:174 13.71 -10.06 C:163 14.76 -11.20 C:132 15.92 -10.51 C:68 21.25 -11.20 C:58 15.92 -9.13 C:37 17.06 -11.20 C:43 17.06 -12.54 23 1 -1 25 2 -1 3 17 2 4 18 1 24 5 -1 24 6 -2 7 19 2 22 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 25 1 13 25 1 14 17 1 14 22 1 15 18 1 15 23 1 16 19 1 16 23 1 19 20 1 20 21 2 21 23 1 21 24 1 24 25 1', 'C20H29NO2', 315.235, 'C', 'np07_1961_1', 3833, '', '', '1', 1, NULL, NULL),
(15169, 'Cespitulactam E', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:10]13[CH2:9][C:8]([CH3:19])=[CH:7][C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:5][C:4](=[CH2:20])[CH2:3][CH2:2][C@:1]2([H])[CH2:14][CH2:13][C:12](=[C:11]1[C@@:15]2([CH3:17])[CH3:16])[C:18](=O)N3', '[H][C@@]13CC(C)=C[C@@H](OC(C)=O)CC(=C)CC[C@]2([H])CCC(=C1[C@@]2(C)C)C(=O)N3', '[H][C@@:58]13[CH2:41][C:130]([CH3:19])=[CH:136][C@@H:72](O[C:9999]([CH3:9999])=O)[CH2:43][C:146](=[CH2:114])[CH2:32][CH2:18][C@:42]2([H])[CH2:24][CH2:32][C:163](=[C:132]1[C@@:37]2([CH3:25])[CH3:35])[C:174](=O)N3', '28 30 H 14.71 -8.09 H 15.85 -13.69 C:20 19.26 -14.72 C:6002 23.36 -9.49 C:19 19.09 -8.57 C:17 17.07 -11.82 C:16 16.81 -10.14 O 22.81 -11.82 O 11.12 -10.22 C:7 18.62 -10.91 C:3 18.13 -12.74 C:13 13.55 -12.51 C:2 17.07 -13.22 C:14 14.71 -13.22 C:5 20.42 -12.51 C:9 16.44 -8.76 N 13.31 -8.64 O 21.03 -10.14 C:4 19.26 -13.32 C:6001 22.40 -10.48 C:8 18.03 -9.49 C:18 12.50 -10.03 C:12 13.55 -11.17 C:11 14.71 -10.48 C:6 20.05 -11.17 C:10 14.71 -9.10 C:1 15.85 -12.51 C:15 15.85 -11.17 26 1 -1 27 2 -1 3 19 2 4 20 1 5 21 1 28 6 -2 28 7 -1 8 20 2 9 22 2 10 21 2 10 25 1 11 13 1 11 19 1 12 14 1 12 23 1 13 27 1 14 27 1 15 19 1 15 25 1 16 21 1 16 26 1 17 22 1 17 26 1 18 20 1 25 18 -1 22 23 1 23 24 2 24 26 1 24 28 1 27 28 1', '28 30 H 14.71 -8.09 H 15.85 -13.69 C 19.26 -14.72 C 23.36 -9.49 C 19.09 -8.57 C 17.07 -11.82 C 16.81 -10.14 O 22.81 -11.82 O 11.12 -10.22 C 18.62 -10.91 C 18.13 -12.74 C 13.55 -12.51 C 17.07 -13.22 C 14.71 -13.22 C 20.42 -12.51 C 16.44 -8.76 N 13.31 -8.64 O 21.03 -10.14 C 19.26 -13.32 C 22.40 -10.48 C 18.03 -9.49 C 12.50 -10.03 C 13.55 -11.17 C 14.71 -10.48 C 20.05 -11.17 C 14.71 -9.10 C 15.85 -12.51 C 15.85 -11.17 26 1 -1 27 2 -1 3 19 2 4 20 1 5 21 1 28 6 -2 28 7 -1 8 20 2 9 22 2 10 21 2 10 25 1 11 13 1 11 19 1 12 14 1 12 23 1 13 27 1 14 27 1 15 19 1 15 25 1 16 21 1 16 26 1 17 22 1 17 26 1 18 20 1 25 18 -1 22 23 1 23 24 2 24 26 1 24 28 1 27 28 1', '28 30 H 14.71 -8.09 H 15.85 -13.69 C:114 19.26 -14.72 C 23.36 -9.49 C:19 19.09 -8.57 C:25 17.07 -11.82 C:35 16.81 -10.14 O 22.81 -11.82 O 11.12 -10.22 C:136 18.62 -10.91 C:32 18.13 -12.74 C:32 13.55 -12.51 C:18 17.07 -13.22 C:24 14.71 -13.22 C:43 20.42 -12.51 C:41 16.44 -8.76 N 13.31 -8.64 O 21.03 -10.14 C:146 19.26 -13.32 C 22.40 -10.48 C:130 18.03 -9.49 C:174 12.50 -10.03 C:163 13.55 -11.17 C:132 14.71 -10.48 C:72 20.05 -11.17 C:58 14.71 -9.10 C:42 15.85 -12.51 C:37 15.85 -11.17 26 1 -1 27 2 -1 3 19 2 4 20 1 5 21 1 28 6 -2 28 7 -1 8 20 2 9 22 2 10 21 2 10 25 1 11 13 1 11 19 1 12 14 1 12 23 1 13 27 1 14 27 1 15 19 1 15 25 1 16 21 1 16 26 1 17 22 1 17 26 1 18 20 1 25 18 -1 22 23 1 23 24 2 24 26 1 24 28 1 27 28 1', 'C22H31NO3', 357.256, 'C', 'np07_1961_2', 3833, '', '', '1', 1, NULL, NULL),
(15170, 'Cespitulactam F', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]23[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@:10]1(O)N[C:18](=O)[C:12](=[C:11]1[C@:15]2([CH3:16])[CH3:17])[CH2:13][CH2:14]3', '[H][C@]23CCC(=C)C[C@H](O)C=C(C)C[C@@]1(O)NC(=O)C(=C1[C@]2(C)C)CC3', '[H][C@:46]23[CH2:19][CH2:34][C:149](=[CH2:114])[CH2:45][C@H:70](O)[CH:137]=[C:133]([CH3:17])[CH2:49][C@@:92]1(O)N[C:174](=O)[C:165](=[C:132]1[C@:38]2([CH3:35])[CH3:25])[CH2:34][CH2:25]3', '25 27 H 17.02 -13.88 C:20 20.40 -14.90 C:19 20.23 -8.82 C:16 17.97 -10.36 C:17 18.23 -12.03 O 12.34 -10.44 O 22.15 -10.36 O 15.89 -7.96 C:7 19.76 -11.12 C:3 19.28 -12.94 C:13 14.75 -12.71 C:2 18.23 -13.41 C:14 15.89 -13.41 C:5 21.55 -12.71 C:9 17.61 -9.01 N 14.51 -8.89 C:4 20.40 -13.51 C:8 19.18 -9.72 C:18 13.71 -10.25 C:12 14.75 -11.38 C:11 15.89 -10.70 C:6 21.18 -11.38 C:15 17.02 -11.38 C:1 17.02 -12.71 C:10 15.89 -9.34 24 1 -1 2 17 2 3 18 1 23 4 -1 23 5 -2 6 19 2 22 7 -1 25 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 24 1 13 24 1 14 17 1 14 22 1 15 18 1 15 25 1 16 19 1 16 25 1 19 20 1 20 21 2 21 23 1 21 25 1 23 24 1', '25 27 H 17.02 -13.88 C 20.40 -14.90 C 20.23 -8.82 C 17.97 -10.36 C 18.23 -12.03 O 12.34 -10.44 O 22.15 -10.36 O 15.89 -7.96 C 19.76 -11.12 C 19.28 -12.94 C 14.75 -12.71 C 18.23 -13.41 C 15.89 -13.41 C 21.55 -12.71 C 17.61 -9.01 N 14.51 -8.89 C 20.40 -13.51 C 19.18 -9.72 C 13.71 -10.25 C 14.75 -11.38 C 15.89 -10.70 C 21.18 -11.38 C 17.02 -11.38 C 17.02 -12.71 C 15.89 -9.34 24 1 -1 2 17 2 3 18 1 23 4 -1 23 5 -2 6 19 2 22 7 -1 25 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 24 1 13 24 1 14 17 1 14 22 1 15 18 1 15 25 1 16 19 1 16 25 1 19 20 1 20 21 2 21 23 1 21 25 1 23 24 1', '25 27 H 17.02 -13.88 C:114 20.40 -14.90 C:17 20.23 -8.82 C:35 17.97 -10.36 C:25 18.23 -12.03 O 12.34 -10.44 O 22.15 -10.36 O 15.89 -7.96 C:137 19.76 -11.12 C:34 19.28 -12.94 C:34 14.75 -12.71 C:19 18.23 -13.41 C:25 15.89 -13.41 C:45 21.55 -12.71 C:49 17.61 -9.01 N 14.51 -8.89 C:149 20.40 -13.51 C:133 19.18 -9.72 C:174 13.71 -10.25 C:165 14.75 -11.38 C:132 15.89 -10.70 C:70 21.18 -11.38 C:38 17.02 -11.38 C:46 17.02 -12.71 C:92 15.89 -9.34 24 1 -1 2 17 2 3 18 1 23 4 -1 23 5 -2 6 19 2 22 7 -1 25 8 -1 9 18 2 9 22 1 10 12 1 10 17 1 11 13 1 11 20 1 12 24 1 13 24 1 14 17 1 14 22 1 15 18 1 15 25 1 16 19 1 16 25 1 19 20 1 20 21 2 21 23 1 21 25 1 23 24 1', 'C20H29NO3', 331.227, 'M', 'np07_1961_3', 3833, '', '', '1', 1, NULL, NULL),
(15171, 'Cespitulactam G', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@:10]2(O)[C:11](=[C:12]([CH2:13][CH2:14]1)[C:18](=O)N2[CH2:18001][CH3:18002])[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]13CCC(=C)C[C@H](O)C=C(C)C[C@]2(O)C(=C(CC1)C(=O)N2CC)[C@@]3(C)C', '[H][C@@:45]13[CH2:17][CH2:33][C:146](=[CH2:115])[CH2:44][C@H:68](O)[CH:135]=[C:133]([CH3:17])[CH2:49][C@:94]2(O)[C:132](=[C:161]([CH2:35][CH2:25]1)[C:172](=O)N2[CH2:58][CH3:15])[C@@:38]3([CH3:25])[CH3:34]', '27 29 H 17.02 -14.61 C:20 20.40 -15.63 C:18002 15.02 -7.25 C:19 20.23 -9.55 C:17 18.23 -12.76 C:16 17.97 -11.09 O 12.34 -11.17 O 22.15 -11.09 O 15.89 -8.69 C:7 19.76 -11.85 C:18001 14.08 -8.29 C:3 19.28 -13.67 C:13 14.75 -13.44 C:5 21.55 -13.44 C:2 18.23 -14.14 C:14 15.89 -14.14 C:9 17.61 -9.74 C:4 20.40 -14.24 C:8 19.18 -10.45 C:18 13.71 -10.98 C:12 14.75 -12.11 C:11 15.89 -11.43 C:6 21.18 -12.11 N 14.51 -9.62 C:15 17.02 -12.11 C:1 17.02 -13.44 C:10 15.89 -10.07 26 1 -1 2 18 2 3 11 1 4 19 1 25 5 -2 25 6 -1 7 20 2 23 8 -1 27 9 -1 10 19 2 10 23 1 11 24 1 12 15 1 12 18 1 13 16 1 13 21 1 14 18 1 14 23 1 15 26 1 16 26 1 17 19 1 17 27 1 20 21 1 20 24 1 21 22 2 22 25 1 22 27 1 24 27 1 25 26 1', '27 29 H 17.02 -14.61 C 20.40 -15.63 C 15.02 -7.25 C 20.23 -9.55 C 18.23 -12.76 C 17.97 -11.09 O 12.34 -11.17 O 22.15 -11.09 O 15.89 -8.69 C 19.76 -11.85 C 14.08 -8.29 C 19.28 -13.67 C 14.75 -13.44 C 21.55 -13.44 C 18.23 -14.14 C 15.89 -14.14 C 17.61 -9.74 C 20.40 -14.24 C 19.18 -10.45 C 13.71 -10.98 C 14.75 -12.11 C 15.89 -11.43 C 21.18 -12.11 N 14.51 -9.62 C 17.02 -12.11 C 17.02 -13.44 C 15.89 -10.07 26 1 -1 2 18 2 3 11 1 4 19 1 25 5 -2 25 6 -1 7 20 2 23 8 -1 27 9 -1 10 19 2 10 23 1 11 24 1 12 15 1 12 18 1 13 16 1 13 21 1 14 18 1 14 23 1 15 26 1 16 26 1 17 19 1 17 27 1 20 21 1 20 24 1 21 22 2 22 25 1 22 27 1 24 27 1 25 26 1', '27 29 H 17.02 -14.61 C:115 20.40 -15.63 C:15 15.02 -7.25 C:17 20.23 -9.55 C:25 18.23 -12.76 C:34 17.97 -11.09 O 12.34 -11.17 O 22.15 -11.09 O 15.89 -8.69 C:135 19.76 -11.85 C:58 14.08 -8.29 C:33 19.28 -13.67 C:35 14.75 -13.44 C:44 21.55 -13.44 C:17 18.23 -14.14 C:25 15.89 -14.14 C:49 17.61 -9.74 C:146 20.40 -14.24 C:133 19.18 -10.45 C:172 13.71 -10.98 C:161 14.75 -12.11 C:132 15.89 -11.43 C:68 21.18 -12.11 N 14.51 -9.62 C:38 17.02 -12.11 C:45 17.02 -13.44 C:94 15.89 -10.07 26 1 -1 2 18 2 3 11 1 4 19 1 25 5 -2 25 6 -1 7 20 2 23 8 -1 27 9 -1 10 19 2 10 23 1 11 24 1 12 15 1 12 18 1 13 16 1 13 21 1 14 18 1 14 23 1 15 26 1 16 26 1 17 19 1 17 27 1 20 21 1 20 24 1 21 22 2 22 25 1 22 27 1 24 27 1 25 26 1', 'C22H33NO3', 359.248, 'C', 'np07_1961_4', 3833, '', '', '1', 1, NULL, NULL),
(15172, 'Cespitulactam H', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@:10]2([H])[C:11](=[C:12]([CH2:13][CH2:14]1)[C:18](=O)N2[CH3:18001])[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]13CCC(=C)C[C@H](O)C=C(C)C[C@]2([H])C(=C(CC1)C(=O)N2C)[C@@]3(C)C', '[H][C@@:43]13[CH2:18][CH2:32][C:147](=[CH2:114])[CH2:44][C@H:68](O)[CH:134]=[C:134]([CH3:17])[CH2:39][C@:63]2([H])[C:132](=[C:160]([CH2:32][CH2:24]1)[C:171](=O)N2[CH3:27])[C@@:37]3([CH3:25])[CH3:35]', '26 28 H 17.03 -14.09 H 15.89 -8.51 C:20 20.45 -15.12 C:19 20.28 -8.98 C:18001 14.06 -7.70 C:17 18.25 -12.22 C:16 17.99 -10.53 O 12.30 -10.61 O 22.22 -10.53 C:7 19.80 -11.30 C:3 19.31 -13.14 C:13 14.74 -12.91 C:5 21.62 -12.91 C:2 18.25 -13.61 C:14 15.89 -13.61 C:9 17.62 -9.17 C:4 20.45 -13.72 C:8 19.21 -9.89 C:18 13.68 -10.42 C:12 14.74 -11.56 C:11 15.89 -10.88 C:6 21.24 -11.56 N 14.49 -9.05 C:15 17.03 -11.56 C:1 17.03 -12.91 C:10 15.89 -9.50 25 1 -1 26 2 -1 3 17 2 4 18 1 5 23 1 24 6 -2 24 7 -1 8 19 2 22 9 -1 10 18 2 10 22 1 11 14 1 11 17 1 12 15 1 12 20 1 13 17 1 13 22 1 14 25 1 15 25 1 16 18 1 16 26 1 19 20 1 19 23 1 20 21 2 21 24 1 21 26 1 23 26 1 24 25 1', '26 28 H 17.03 -14.09 H 15.89 -8.51 C 20.45 -15.12 C 20.28 -8.98 C 14.06 -7.70 C 18.25 -12.22 C 17.99 -10.53 O 12.30 -10.61 O 22.22 -10.53 C 19.80 -11.30 C 19.31 -13.14 C 14.74 -12.91 C 21.62 -12.91 C 18.25 -13.61 C 15.89 -13.61 C 17.62 -9.17 C 20.45 -13.72 C 19.21 -9.89 C 13.68 -10.42 C 14.74 -11.56 C 15.89 -10.88 C 21.24 -11.56 N 14.49 -9.05 C 17.03 -11.56 C 17.03 -12.91 C 15.89 -9.50 25 1 -1 26 2 -1 3 17 2 4 18 1 5 23 1 24 6 -2 24 7 -1 8 19 2 22 9 -1 10 18 2 10 22 1 11 14 1 11 17 1 12 15 1 12 20 1 13 17 1 13 22 1 14 25 1 15 25 1 16 18 1 16 26 1 19 20 1 19 23 1 20 21 2 21 24 1 21 26 1 23 26 1 24 25 1', '26 28 H 17.03 -14.09 H 15.89 -8.51 C:114 20.45 -15.12 C:17 20.28 -8.98 C:27 14.06 -7.70 C:25 18.25 -12.22 C:35 17.99 -10.53 O 12.30 -10.61 O 22.22 -10.53 C:134 19.80 -11.30 C:32 19.31 -13.14 C:32 14.74 -12.91 C:44 21.62 -12.91 C:18 18.25 -13.61 C:24 15.89 -13.61 C:39 17.62 -9.17 C:147 20.45 -13.72 C:134 19.21 -9.89 C:171 13.68 -10.42 C:160 14.74 -11.56 C:132 15.89 -10.88 C:68 21.24 -11.56 N 14.49 -9.05 C:37 17.03 -11.56 C:43 17.03 -12.91 C:63 15.89 -9.50 25 1 -1 26 2 -1 3 17 2 4 18 1 5 23 1 24 6 -2 24 7 -1 8 19 2 22 9 -1 10 18 2 10 22 1 11 14 1 11 17 1 12 15 1 12 20 1 13 17 1 13 22 1 14 25 1 15 25 1 16 18 1 16 26 1 19 20 1 19 23 1 20 21 2 21 24 1 21 26 1 23 26 1 24 25 1', 'C21H31NO2', 329.246, 'C', 'np07_1961_5', 3833, '', '', '1', 1, NULL, NULL),
(15173, 'Cespitulactam I', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]13[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C:6](=O)[CH2:7][CH:8]([CH3:19])[CH:9]=[C:10]2N[C:18](=O)[CH:12]([CH2:13][CH2:14]1)[C:11]2(O)[C@@:15]3([CH3:17])[CH3:16]', '[H][C@@]13CCC(=C)CC(=O)CC(C)C=C2NC(=O)C(CC1)C2(O)[C@@]3(C)C', '[H][C@@:44]13[CH2:23][CH2:35][C:144](=[CH2:116])[CH2:53][C:208](=O)[CH2:49][CH:29]([CH3:20])[CH:110]=[C:142]2N[C:178](=O)[CH:50]([CH2:31][CH2:24]1)[C:79]2(O)[C@@:41]3([CH3:23])[CH3:29]', '25 27 H 17.01 -13.43 C:20 20.40 -14.44 C:19 20.22 -8.38 C:17 18.22 -11.57 C:16 17.96 -9.91 O 22.15 -9.91 O 12.32 -9.99 O 17.08 -9.55 C:9 17.59 -8.57 C:3 19.26 -12.48 C:13 14.74 -12.26 C:2 18.22 -12.95 C:14 15.88 -12.95 C:5 21.56 -12.26 C:7 19.74 -10.67 N 14.49 -8.45 C:4 20.40 -13.06 C:6 21.18 -10.93 C:18 13.69 -9.80 C:10 15.88 -8.89 C:8 19.16 -9.27 C:12 14.74 -10.93 C:1 17.01 -12.26 C:15 17.01 -10.93 C:11 15.88 -10.26 23 1 -1 2 17 2 3 21 1 24 4 -2 24 5 -1 6 18 2 7 19 2 8 25 1 9 20 2 9 21 1 10 12 1 10 17 1 11 13 1 11 22 1 12 23 1 13 23 1 14 17 1 14 18 1 15 18 1 15 21 1 16 19 1 16 20 1 19 22 1 20 25 1 22 25 1 23 24 1 24 25 1', '25 27 H 17.01 -13.43 C 20.40 -14.44 C 20.22 -8.38 C 18.22 -11.57 C 17.96 -9.91 O 22.15 -9.91 O 12.32 -9.99 O 17.08 -9.55 C 17.59 -8.57 C 19.26 -12.48 C 14.74 -12.26 C 18.22 -12.95 C 15.88 -12.95 C 21.56 -12.26 C 19.74 -10.67 N 14.49 -8.45 C 20.40 -13.06 C 21.18 -10.93 C 13.69 -9.80 C 15.88 -8.89 C 19.16 -9.27 C 14.74 -10.93 C 17.01 -12.26 C 17.01 -10.93 C 15.88 -10.26 23 1 -1 2 17 2 3 21 1 24 4 -2 24 5 -1 6 18 2 7 19 2 8 25 1 9 20 2 9 21 1 10 12 1 10 17 1 11 13 1 11 22 1 12 23 1 13 23 1 14 17 1 14 18 1 15 18 1 15 21 1 16 19 1 16 20 1 19 22 1 20 25 1 22 25 1 23 24 1 24 25 1', '25 27 H 17.01 -13.43 C:116 20.40 -14.44 C:20 20.22 -8.38 C:23 18.22 -11.57 C:29 17.96 -9.91 O 22.15 -9.91 O 12.32 -9.99 O 17.08 -9.55 C:110 17.59 -8.57 C:35 19.26 -12.48 C:31 14.74 -12.26 C:23 18.22 -12.95 C:24 15.88 -12.95 C:53 21.56 -12.26 C:49 19.74 -10.67 N 14.49 -8.45 C:144 20.40 -13.06 C:208 21.18 -10.93 C:178 13.69 -9.80 C:142 15.88 -8.89 C:29 19.16 -9.27 C:50 14.74 -10.93 C:44 17.01 -12.26 C:41 17.01 -10.93 C:79 15.88 -10.26 23 1 -1 2 17 2 3 21 1 24 4 -2 24 5 -1 6 18 2 7 19 2 8 25 1 9 20 2 9 21 1 10 12 1 10 17 1 11 13 1 11 22 1 12 23 1 13 23 1 14 17 1 14 18 1 15 18 1 15 21 1 16 19 1 16 20 1 19 22 1 20 25 1 22 25 1 23 24 1 24 25 1', 'C20H29NO3', 331.227, 'C', 'np07_1961_6', 3833, '', '', '1', 1, NULL, NULL),
(15174, 'Cespitulactam J', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]15[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@:10]2([H])[C:11](=[C:12]([CH2:13][CH2:14]1)[C:18](=O)N2[CH2:101][CH2:102][c:103]3[cH:104][nH][c:106]4[cH:107][cH:108][cH:109][cH:110][c:111]34)[C@@:15]5([CH3:17])[CH3:16]', '[H][C@@]15CCC(=C)C[C@H](O)C=C(C)C[C@]2([H])C(=C(CC1)C(=O)N2CCc3cnc4ccccc34)[C@@]5(C)C', '[H][C@@:43]15[CH2:18][CH2:32][C:147](=[CH2:113])[CH2:44][C@H:68](O)[CH:134]=[C:134]([CH3:17])[CH2:38][C@:61]2([H])[C:132](=[C:160]([CH2:32][CH2:24]1)[C:171](=O)N2[CH2:40][CH2:24][c:113]3[cH:122][nH][c:136]4[cH:111][cH:122][cH:120][cH:119][c:127]34)[C@@:37]5([CH3:25])[CH3:35]', '36 40 H 17.76 -16.55 H 16.61 -10.98 C:20 21.18 -17.60 C:19 21.01 -11.45 C:17 18.98 -14.67 C:16 18.72 -13.00 O 13.03 -13.08 O 22.94 -13.00 C:7 20.53 -13.76 C:108 11.55 -5.95 C:109 11.55 -7.35 C:107 12.76 -5.24 C:110 12.76 -8.05 C:104 16.13 -6.67 C:3 20.04 -15.59 C:13 15.46 -15.36 C:102 15.73 -9.13 C:101 14.78 -10.17 C:2 18.98 -16.06 C:14 16.61 -16.06 C:5 22.34 -15.36 C:9 18.35 -11.64 N 15.30 -5.52 C:4 21.18 -16.17 C:8 19.94 -12.36 C:18 14.40 -12.89 C:12 15.46 -14.02 C:11 16.61 -13.35 C:103 15.30 -7.80 C:106 13.97 -5.95 C:111 13.97 -7.35 C:6 21.96 -14.02 N 15.21 -11.52 C:1 17.76 -15.36 C:15 17.76 -14.02 C:10 16.61 -11.97 34 1 -1 36 2 -1 3 24 2 4 25 1 35 5 -2 35 6 -1 7 26 2 32 8 -1 9 25 2 9 32 1 10 11 1 10 12 2 11 13 2 12 30 1 13 31 1 14 23 1 14 29 2 15 19 1 15 24 1 16 20 1 16 27 1 17 18 1 17 29 1 18 33 1 19 34 1 20 34 1 21 24 1 21 32 1 22 25 1 22 36 1 23 30 1 26 27 1 26 33 1 27 28 2 28 35 1 28 36 1 29 31 1 30 31 2 33 36 1 34 35 1', '36 40 H 17.76 -16.55 H 16.61 -10.98 C 21.18 -17.60 C 21.01 -11.45 C 18.98 -14.67 C 18.72 -13.00 O 13.03 -13.08 O 22.94 -13.00 C 20.53 -13.76 C 11.55 -5.95 C 11.55 -7.35 C 12.76 -5.24 C 12.76 -8.05 C 16.13 -6.67 C 20.04 -15.59 C 15.46 -15.36 C 15.73 -9.13 C 14.78 -10.17 C 18.98 -16.06 C 16.61 -16.06 C 22.34 -15.36 C 18.35 -11.64 N 15.30 -5.52 C 21.18 -16.17 C 19.94 -12.36 C 14.40 -12.89 C 15.46 -14.02 C 16.61 -13.35 C 15.30 -7.80 C 13.97 -5.95 C 13.97 -7.35 C 21.96 -14.02 N 15.21 -11.52 C 17.76 -15.36 C 17.76 -14.02 C 16.61 -11.97 34 1 -1 36 2 -1 3 24 2 4 25 1 35 5 -2 35 6 -1 7 26 2 32 8 -1 9 25 2 9 32 1 10 11 1 10 12 2 11 13 2 12 30 1 13 31 1 14 23 1 14 29 2 15 19 1 15 24 1 16 20 1 16 27 1 17 18 1 17 29 1 18 33 1 19 34 1 20 34 1 21 24 1 21 32 1 22 25 1 22 36 1 23 30 1 26 27 1 26 33 1 27 28 2 28 35 1 28 36 1 29 31 1 30 31 2 33 36 1 34 35 1', '36 40 H 17.76 -16.55 H 16.61 -10.98 C:113 21.18 -17.60 C:17 21.01 -11.45 C:25 18.98 -14.67 C:35 18.72 -13.00 O 13.03 -13.08 O 22.94 -13.00 C:134 20.53 -13.76 C:122 11.55 -5.95 C:120 11.55 -7.35 C:111 12.76 -5.24 C:119 12.76 -8.05 C:122 16.13 -6.67 C:32 20.04 -15.59 C:32 15.46 -15.36 C:24 15.73 -9.13 C:40 14.78 -10.17 C:18 18.98 -16.06 C:24 16.61 -16.06 C:44 22.34 -15.36 C:38 18.35 -11.64 N 15.30 -5.52 C:147 21.18 -16.17 C:134 19.94 -12.36 C:171 14.40 -12.89 C:160 15.46 -14.02 C:132 16.61 -13.35 C:113 15.30 -7.80 C:136 13.97 -5.95 C:127 13.97 -7.35 C:68 21.96 -14.02 N 15.21 -11.52 C:43 17.76 -15.36 C:37 17.76 -14.02 C:61 16.61 -11.97 34 1 -1 36 2 -1 3 24 2 4 25 1 35 5 -2 35 6 -1 7 26 2 32 8 -1 9 25 2 9 32 1 10 11 1 10 12 2 11 13 2 12 30 1 13 31 1 14 23 1 14 29 2 15 19 1 15 24 1 16 20 1 16 27 1 17 18 1 17 29 1 18 33 1 19 34 1 20 34 1 21 24 1 21 32 1 22 25 1 22 36 1 23 30 1 26 27 1 26 33 1 27 28 2 28 35 1 28 36 1 29 31 1 30 31 2 33 36 1 34 35 1', 'C30H37N2O2', 457.349, 'C', 'np07_1961_7', 3833, '', '', '1', 1, NULL, NULL),
(15175, 'Cespitulactam K', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:12]14[CH2:13][CH2:14][C@@:1]2([H])[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C:10](=[C:11]1[C@:15]2([CH3:16])[CH3:17])N([CH2:101][CH2:102][c:103]3[cH:108][cH:107][c:106](O)[cH:105][cH:104]3)[C:18]4=O', '[H][C@]14CC[C@@]2([H])CCC(=C)C[C@H](O)C=C(C)CC(=C1[C@]2(C)C)N(CCc3ccc(O)cc3)C4=O', '[H][C@:47]14[CH2:27][CH2:30][C@@:48]2([H])[CH2:34][CH2:38][C:146](=[CH2:115])[CH2:47][C@H:70](O)[CH:131]=[C:131]([CH3:16])[CH2:34][C:136](=[C:122]1[C@:40]2([CH3:31])[CH3:28])N([CH2:42][CH2:35][c:130]3[cH:130][cH:116][c:155](O)[cH:116][cH:130]3)[C:181]4=O', '34 37 H 13.89 -15.26 H 16.99 -17.30 C:20 20.43 -18.35 C:19 20.26 -12.21 C:16 17.96 -13.75 C:17 18.22 -15.41 O 12.26 -13.83 O 13.17 -4.54 O 22.20 -13.75 C:7 19.77 -14.51 C:107 15.05 -6.16 C:105 12.74 -6.90 C:108 15.48 -7.49 C:104 13.17 -8.23 C:3 19.28 -16.34 C:9 17.58 -12.40 C:102 14.97 -9.87 C:101 14.02 -10.91 C:5 21.59 -16.11 C:2 18.22 -16.81 C:13 14.70 -16.11 C:14 15.84 -16.81 C:4 20.43 -16.92 C:8 19.18 -13.12 C:18 13.64 -13.64 C:10 15.84 -12.73 C:11 15.84 -14.10 C:106 13.64 -5.85 C:103 14.54 -8.53 C:6 21.21 -14.77 N 14.45 -12.28 C:12 14.70 -14.77 C:15 16.99 -14.77 C:1 16.99 -16.11 32 1 -1 34 2 -1 3 23 2 4 24 1 33 5 -1 33 6 -2 7 25 2 8 28 1 30 9 -1 10 24 2 10 30 1 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 20 1 15 23 1 16 24 1 16 26 1 17 18 1 17 29 1 18 31 1 19 23 1 19 30 1 20 34 1 21 22 1 21 32 1 22 34 1 25 31 1 25 32 1 26 27 2 26 31 1 27 32 1 27 33 1 33 34 1', '34 37 H 13.89 -15.26 H 16.99 -17.30 C 20.43 -18.35 C 20.26 -12.21 C 17.96 -13.75 C 18.22 -15.41 O 12.26 -13.83 O 13.17 -4.54 O 22.20 -13.75 C 19.77 -14.51 C 15.05 -6.16 C 12.74 -6.90 C 15.48 -7.49 C 13.17 -8.23 C 19.28 -16.34 C 17.58 -12.40 C 14.97 -9.87 C 14.02 -10.91 C 21.59 -16.11 C 18.22 -16.81 C 14.70 -16.11 C 15.84 -16.81 C 20.43 -16.92 C 19.18 -13.12 C 13.64 -13.64 C 15.84 -12.73 C 15.84 -14.10 C 13.64 -5.85 C 14.54 -8.53 C 21.21 -14.77 N 14.45 -12.28 C 14.70 -14.77 C 16.99 -14.77 C 16.99 -16.11 32 1 -1 34 2 -1 3 23 2 4 24 1 33 5 -1 33 6 -2 7 25 2 8 28 1 30 9 -1 10 24 2 10 30 1 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 20 1 15 23 1 16 24 1 16 26 1 17 18 1 17 29 1 18 31 1 19 23 1 19 30 1 20 34 1 21 22 1 21 32 1 22 34 1 25 31 1 25 32 1 26 27 2 26 31 1 27 32 1 27 33 1 33 34 1', '34 37 H 13.89 -15.26 H 16.99 -17.30 C:115 20.43 -18.35 C:16 20.26 -12.21 C:31 17.96 -13.75 C:28 18.22 -15.41 O 12.26 -13.83 O 13.17 -4.54 O 22.20 -13.75 C:131 19.77 -14.51 C:116 15.05 -6.16 C:116 12.74 -6.90 C:130 15.48 -7.49 C:130 13.17 -8.23 C:38 19.28 -16.34 C:34 17.58 -12.40 C:35 14.97 -9.87 C:42 14.02 -10.91 C:47 21.59 -16.11 C:34 18.22 -16.81 C:27 14.70 -16.11 C:30 15.84 -16.81 C:146 20.43 -16.92 C:131 19.18 -13.12 C:181 13.64 -13.64 C:136 15.84 -12.73 C:122 15.84 -14.10 C:155 13.64 -5.85 C:130 14.54 -8.53 C:70 21.21 -14.77 N 14.45 -12.28 C:47 14.70 -14.77 C:40 16.99 -14.77 C:48 16.99 -16.11 32 1 -1 34 2 -1 3 23 2 4 24 1 33 5 -1 33 6 -2 7 25 2 8 28 1 30 9 -1 10 24 2 10 30 1 11 13 2 11 28 1 12 14 1 12 28 2 13 29 1 14 29 2 15 20 1 15 23 1 16 24 1 16 26 1 17 18 1 17 29 1 18 31 1 19 23 1 19 30 1 20 34 1 21 22 1 21 32 1 22 34 1 25 31 1 25 32 1 26 27 2 26 31 1 27 32 1 27 33 1 33 34 1', 'C28H37NO3', 435.32, 'C', 'np07_1961_8', 3833, '', '', '1', 1, NULL, NULL),
(15176, '6-O-Acetylcespitulactam F', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]23[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O[C:6001]([CH3:6002])=O)[CH:7]=[C:8]([CH3:19])[CH2:9][C@@:10]1(O)N[C:18](=O)[C:12](=[C:11]1[C@:15]2([CH3:16])[CH3:17])[CH2:13][CH2:14]3', '[H][C@]23CCC(=C)C[C@H](OC(C)=O)C=C(C)C[C@@]1(O)NC(=O)C(=C1[C@]2(C)C)CC3', '[H][C@:44]23[CH2:18][CH2:32][C:146](=[CH2:114])[CH2:41][C@H:71](O[C:9999]([CH3:9999])=O)[CH:134]=[C:131]([CH3:17])[CH2:48][C@@:91]1(O)N[C:174](=O)[C:131](=[C:163]1[C@:37]2([CH3:34])[CH3:24])[CH2:36][CH2:24]3', '28 30 H 15.85 -13.89 C:20 19.25 -14.91 C:6002 23.31 -9.68 C:19 19.07 -8.84 C:16 16.80 -10.37 C:17 17.06 -12.03 O 22.74 -12.03 O 11.16 -10.45 O 14.72 -7.97 C:7 18.59 -11.13 C:3 18.11 -12.94 C:13 13.58 -12.72 C:2 17.06 -13.41 C:14 14.72 -13.41 C:5 20.41 -12.72 C:9 16.43 -9.03 N 13.33 -8.91 O 21.00 -10.37 C:6001 22.35 -10.72 C:4 19.25 -13.52 C:8 18.01 -9.73 C:18 12.53 -10.26 C:12 13.58 -11.39 C:11 14.72 -10.72 C:6 20.03 -11.39 C:1 15.85 -12.72 C:15 15.85 -11.39 C:10 14.72 -9.35 26 1 -1 2 20 2 3 19 1 4 21 1 27 5 -1 27 6 -2 7 19 2 8 22 2 28 9 -1 10 21 2 10 25 1 11 13 1 11 20 1 12 14 1 12 23 1 13 26 1 14 26 1 15 20 1 15 25 1 16 21 1 16 28 1 17 22 1 17 28 1 18 19 1 25 18 -1 22 23 1 23 24 2 24 27 1 24 28 1 26 27 1', '28 30 H 15.85 -13.89 C 19.25 -14.91 C 23.31 -9.68 C 19.07 -8.84 C 16.80 -10.37 C 17.06 -12.03 O 22.74 -12.03 O 11.16 -10.45 O 14.72 -7.97 C 18.59 -11.13 C 18.11 -12.94 C 13.58 -12.72 C 17.06 -13.41 C 14.72 -13.41 C 20.41 -12.72 C 16.43 -9.03 N 13.33 -8.91 O 21.00 -10.37 C 22.35 -10.72 C 19.25 -13.52 C 18.01 -9.73 C 12.53 -10.26 C 13.58 -11.39 C 14.72 -10.72 C 20.03 -11.39 C 15.85 -12.72 C 15.85 -11.39 C 14.72 -9.35 26 1 -1 2 20 2 3 19 1 4 21 1 27 5 -1 27 6 -2 7 19 2 8 22 2 28 9 -1 10 21 2 10 25 1 11 13 1 11 20 1 12 14 1 12 23 1 13 26 1 14 26 1 15 20 1 15 25 1 16 21 1 16 28 1 17 22 1 17 28 1 18 19 1 25 18 -1 22 23 1 23 24 2 24 27 1 24 28 1 26 27 1', '28 30 H 15.85 -13.89 C:114 19.25 -14.91 C 23.31 -9.68 C:17 19.07 -8.84 C:34 16.80 -10.37 C:24 17.06 -12.03 O 22.74 -12.03 O 11.16 -10.45 O 14.72 -7.97 C:134 18.59 -11.13 C:32 18.11 -12.94 C:36 13.58 -12.72 C:18 17.06 -13.41 C:24 14.72 -13.41 C:41 20.41 -12.72 C:48 16.43 -9.03 N 13.33 -8.91 O 21.00 -10.37 C 22.35 -10.72 C:146 19.25 -13.52 C:131 18.01 -9.73 C:174 12.53 -10.26 C:131 13.58 -11.39 C:163 14.72 -10.72 C:71 20.03 -11.39 C:44 15.85 -12.72 C:37 15.85 -11.39 C:91 14.72 -9.35 26 1 -1 2 20 2 3 19 1 4 21 1 27 5 -1 27 6 -2 7 19 2 8 22 2 28 9 -1 10 21 2 10 25 1 11 13 1 11 20 1 12 14 1 12 23 1 13 26 1 14 26 1 15 20 1 15 25 1 16 21 1 16 28 1 17 22 1 17 28 1 18 19 1 25 18 -1 22 23 1 23 24 2 24 27 1 24 28 1 26 27 1', 'C22H31NO4', 373.248, 'C', 'np07_1961_11', 3833, '', '', '1', 1, NULL, NULL),
(15177, 'Cespihypotin A', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:1]12[CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O)[CH:7]=[C:8]([CH3:19])[CH2:9][C:10](=O)O[C@@H:11]([C:12](=O)[CH2:13][CH2:14]1)[C@@:15]2([CH3:17])[CH3:16]', '[H][C@@]12CCC(=C)C[C@H](O)C=C(C)CC(=O)O[C@@H](C(=O)CC1)[C@@]2(C)C', '[H][C@@:42]12[CH2:26][CH2:39][C:146](=[CH2:114])[CH2:42][C@H:70](O)[CH:135]=[C:129]([CH3:17])[CH2:46][C:169](=O)O[C@@H:85]([C:207](=O)[CH2:33][CH2:29]1)[C@@:42]2([CH3:25])[CH3:25]', '24 25 H 16.41 -14.36 C:20 19.90 -15.42 C:19 20.01 -9.03 C:17 17.67 -12.43 C:16 17.40 -10.70 O 16.52 -7.47 O 12.80 -11.04 O 21.70 -10.77 C:7 19.24 -11.50 C:3 18.76 -13.38 C:13 14.05 -13.14 C:2 17.67 -13.86 C:14 15.25 -13.86 C:9 17.77 -9.74 C:5 21.10 -13.14 O 15.25 -9.61 C:4 19.90 -13.97 C:8 19.05 -10.04 C:10 16.52 -8.90 C:12 14.05 -11.76 C:6 20.72 -11.76 C:11 15.25 -11.04 C:1 16.41 -13.14 C:15 16.41 -11.76 23 1 -1 2 17 2 3 18 1 24 4 -2 24 5 -1 6 19 2 7 20 2 21 8 -1 9 18 2 9 21 1 10 12 1 10 17 1 11 13 1 11 20 1 12 23 1 13 23 1 14 18 1 14 19 1 15 17 1 15 21 1 16 19 1 22 16 -2 20 22 1 22 24 1 23 24 1', '24 25 H 16.41 -14.36 C 19.90 -15.42 C 20.01 -9.03 C 17.67 -12.43 C 17.40 -10.70 O 16.52 -7.47 O 12.80 -11.04 O 21.70 -10.77 C 19.24 -11.50 C 18.76 -13.38 C 14.05 -13.14 C 17.67 -13.86 C 15.25 -13.86 C 17.77 -9.74 C 21.10 -13.14 O 15.25 -9.61 C 19.90 -13.97 C 19.05 -10.04 C 16.52 -8.90 C 14.05 -11.76 C 20.72 -11.76 C 15.25 -11.04 C 16.41 -13.14 C 16.41 -11.76 23 1 -1 2 17 2 3 18 1 24 4 -2 24 5 -1 6 19 2 7 20 2 21 8 -1 9 18 2 9 21 1 10 12 1 10 17 1 11 13 1 11 20 1 12 23 1 13 23 1 14 18 1 14 19 1 15 17 1 15 21 1 16 19 1 22 16 -2 20 22 1 22 24 1 23 24 1', '24 25 H 16.41 -14.36 C:114 19.90 -15.42 C:17 20.01 -9.03 C:25 17.67 -12.43 C:25 17.40 -10.70 O 16.52 -7.47 O 12.80 -11.04 O 21.70 -10.77 C:135 19.24 -11.50 C:39 18.76 -13.38 C:33 14.05 -13.14 C:26 17.67 -13.86 C:29 15.25 -13.86 C:46 17.77 -9.74 C:42 21.10 -13.14 O 15.25 -9.61 C:146 19.90 -13.97 C:129 19.05 -10.04 C:169 16.52 -8.90 C:207 14.05 -11.76 C:70 20.72 -11.76 C:85 15.25 -11.04 C:42 16.41 -13.14 C:42 16.41 -11.76 23 1 -1 2 17 2 3 18 1 24 4 -2 24 5 -1 6 19 2 7 20 2 21 8 -1 9 18 2 9 21 1 10 12 1 10 17 1 11 13 1 11 20 1 12 23 1 13 23 1 14 18 1 14 19 1 15 17 1 15 21 1 16 19 1 22 16 -2 20 22 1 22 24 1 23 24 1', 'C19H28O4', 320.209, 'C', 'ttl06_6651_1', 3834, '', '', '1', 1, NULL, NULL),
(15178, 'Cespihypotin B', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]23[CH2:14][CH2:13][CH:12]=[C:11]([C:10](=O)[CH2:9][C:8]1([CH3:19])O[CH:7]1[C@@H:6](O)[CH2:5][C:4](=[CH2:20])[CH2:3][CH2:2]2)[C@@:15]3([CH3:17])[CH3:16]', '[H][C@]23CCC=C(C(=O)CC1(C)OC1[C@@H](O)CC(=C)CC2)[C@@]3(C)C', '[H][C@:42]23[CH2:24][CH2:23][CH:138]=[C:149]([C:201](=O)[CH2:53][C:60]1([CH3:17])O[CH:67]1[C@@H:70](O)[CH2:42][C:146](=[CH2:114])[CH2:32][CH2:30]2)[C@@:35]3([CH3:25])[CH3:32]', '23 25 H 15.82 -13.50 C:20 19.32 -14.80 C:17 17.05 -11.77 C:16 16.77 -10.04 C:19 19.09 -8.40 O 14.70 -8.03 O 21.08 -10.04 C:12 13.38 -11.10 C:13 13.38 -12.50 C:3 18.12 -12.75 C:14 14.58 -13.23 C:2 17.05 -13.23 C:5 20.54 -12.50 C:9 16.88 -8.96 O 19.50 -9.68 C:4 19.32 -13.34 C:10 15.42 -9.20 C:11 14.58 -10.41 C:6 20.14 -11.10 C:7 18.65 -10.84 C:15 15.82 -11.10 C:1 15.82 -12.50 C:8 18.12 -9.68 22 1 -1 2 16 2 21 3 -2 21 4 -1 5 23 1 6 17 2 19 7 -1 8 9 1 8 18 2 9 11 1 10 12 1 10 16 1 11 22 1 12 22 1 13 16 1 13 19 1 14 17 1 14 23 1 15 20 1 15 23 1 17 18 1 18 21 1 19 20 1 20 23 1 21 22 1', '23 25 H 15.82 -13.50 C 19.32 -14.80 C 17.05 -11.77 C 16.77 -10.04 C 19.09 -8.40 O 14.70 -8.03 O 21.08 -10.04 C 13.38 -11.10 C 13.38 -12.50 C 18.12 -12.75 C 14.58 -13.23 C 17.05 -13.23 C 20.54 -12.50 C 16.88 -8.96 O 19.50 -9.68 C 19.32 -13.34 C 15.42 -9.20 C 14.58 -10.41 C 20.14 -11.10 C 18.65 -10.84 C 15.82 -11.10 C 15.82 -12.50 C 18.12 -9.68 22 1 -1 2 16 2 21 3 -2 21 4 -1 5 23 1 6 17 2 19 7 -1 8 9 1 8 18 2 9 11 1 10 12 1 10 16 1 11 22 1 12 22 1 13 16 1 13 19 1 14 17 1 14 23 1 15 20 1 15 23 1 17 18 1 18 21 1 19 20 1 20 23 1 21 22 1', '23 25 H 15.82 -13.50 C:114 19.32 -14.80 C:25 17.05 -11.77 C:32 16.77 -10.04 C:17 19.09 -8.40 O 14.70 -8.03 O 21.08 -10.04 C:138 13.38 -11.10 C:23 13.38 -12.50 C:32 18.12 -12.75 C:24 14.58 -13.23 C:30 17.05 -13.23 C:42 20.54 -12.50 C:53 16.88 -8.96 O 19.50 -9.68 C:146 19.32 -13.34 C:201 15.42 -9.20 C:149 14.58 -10.41 C:70 20.14 -11.10 C:67 18.65 -10.84 C:35 15.82 -11.10 C:42 15.82 -12.50 C:60 18.12 -9.68 22 1 -1 2 16 2 21 3 -2 21 4 -1 5 23 1 6 17 2 19 7 -1 8 9 1 8 18 2 9 11 1 10 12 1 10 16 1 11 22 1 12 22 1 13 16 1 13 19 1 14 17 1 14 23 1 15 20 1 15 23 1 17 18 1 18 21 1 19 20 1 20 23 1 21 22 1', 'C19H28O3', 304.209, 'C', 'ttl06_6651_3', 3834, '', '', '1', 1, NULL, NULL),
(15179, 'Cespihypotin C', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@@:12]12[CH2:13][CH2:14][C@@:1]([H])([CH2:2][CH2:3][C:4](=[CH2:20])[CH2:5][C@H:6](O[C:6001]([CH3:6002])=O)[CH:7]=[C:8]([CH3:19])[CH2:9][C:10](=O)O1)[C@:15]([CH3:17])([CH3:16])[C:11]2=O', '[H][C@@]12CC[C@@]([H])(CCC(=C)C[C@H](OC(C)=O)C=C(C)CC(=O)O1)[C@](C)(C)C2=O', '[H][C@@:72]12[CH2:26][CH2:20][C@@:43]([H])([CH2:29][CH2:34][C:146](=[CH2:113])[CH2:43][C@H:71](O[C:170]([CH3:21])=O)[CH:133]=[C:130]([CH3:17])[CH2:46][C:170](=O)O1)[C@:48]([CH3:23])([CH3:28])[C:211]2=O', '28 29 H 11.99 -12.01 H 15.02 -14.17 C:20 18.42 -15.18 C:6002 22.54 -9.99 C:19 18.26 -9.03 C:17 16.25 -12.28 C:16 15.98 -10.60 O 21.92 -12.34 O 13.40 -7.66 O 13.89 -9.74 C:7 17.78 -11.36 C:3 17.31 -13.20 C:9 15.62 -9.22 C:2 16.25 -13.68 C:13 12.72 -12.97 C:14 13.89 -13.68 C:5 19.58 -12.97 O 20.20 -10.60 O 12.28 -10.10 C:4 18.42 -13.79 C:6001 21.56 -10.94 C:8 17.20 -9.94 C:10 13.79 -9.03 C:11 13.89 -10.94 C:6 19.21 -11.63 C:12 12.72 -11.63 C:1 15.02 -12.97 C:15 15.02 -11.63 26 1 -1 27 2 -1 3 20 2 4 21 1 5 22 1 28 6 -2 28 7 -1 8 21 2 9 23 2 10 24 2 11 22 2 11 25 1 12 14 1 12 20 1 13 22 1 13 23 1 14 27 1 15 16 1 15 26 1 16 27 1 17 20 1 17 25 1 18 21 1 25 18 -1 19 23 1 19 26 1 24 26 1 24 28 1 27 28 1', '28 29 H 11.99 -12.01 H 15.02 -14.17 C 18.42 -15.18 C 22.54 -9.99 C 18.26 -9.03 C 16.25 -12.28 C 15.98 -10.60 O 21.92 -12.34 O 13.40 -7.66 O 13.89 -9.74 C 17.78 -11.36 C 17.31 -13.20 C 15.62 -9.22 C 16.25 -13.68 C 12.72 -12.97 C 13.89 -13.68 C 19.58 -12.97 O 20.20 -10.60 O 12.28 -10.10 C 18.42 -13.79 C 21.56 -10.94 C 17.20 -9.94 C 13.79 -9.03 C 13.89 -10.94 C 19.21 -11.63 C 12.72 -11.63 C 15.02 -12.97 C 15.02 -11.63 26 1 -1 27 2 -1 3 20 2 4 21 1 5 22 1 28 6 -2 28 7 -1 8 21 2 9 23 2 10 24 2 11 22 2 11 25 1 12 14 1 12 20 1 13 22 1 13 23 1 14 27 1 15 16 1 15 26 1 16 27 1 17 20 1 17 25 1 18 21 1 25 18 -1 19 23 1 19 26 1 24 26 1 24 28 1 27 28 1', '28 29 H 11.99 -12.01 H 15.02 -14.17 C:113 18.42 -15.18 C:21 22.54 -9.99 C:17 18.26 -9.03 C:23 16.25 -12.28 C:28 15.98 -10.60 O 21.92 -12.34 O 13.40 -7.66 O 13.89 -9.74 C:133 17.78 -11.36 C:34 17.31 -13.20 C:46 15.62 -9.22 C:29 16.25 -13.68 C:26 12.72 -12.97 C:20 13.89 -13.68 C:43 19.58 -12.97 O 20.20 -10.60 O 12.28 -10.10 C:146 18.42 -13.79 C:170 21.56 -10.94 C:130 17.20 -9.94 C:170 13.79 -9.03 C:211 13.89 -10.94 C:71 19.21 -11.63 C:72 12.72 -11.63 C:43 15.02 -12.97 C:48 15.02 -11.63 26 1 -1 27 2 -1 3 20 2 4 21 1 5 22 1 28 6 -2 28 7 -1 8 21 2 9 23 2 10 24 2 11 22 2 11 25 1 12 14 1 12 20 1 13 22 1 13 23 1 14 27 1 15 16 1 15 26 1 16 27 1 17 20 1 17 25 1 18 21 1 25 18 -1 19 23 1 19 26 1 24 26 1 24 28 1 27 28 1', 'C21H30O5', 362.238, 'C', 'ttl06_6651_2', 3834, '', '', '1', 1, NULL, NULL),
(15180, 'Cespihypotin D', '', 'Terpenoids', 'Diterpenoids', 'Verticillanes', '[H][C@:1]12[CH2:14][CH2:13][CH:12]=[C:11]([C:10](=O)[CH2:9][C:8]([CH3:19])=[CH:7][C:6](=O)[CH2:5][C:4](=[CH2:20])[CH2:3][CH2:2]1)[C@:15]2([CH3:16])[CH3:17]', '[H][C@]12CCC=C(C(=O)CC(C)=CC(=O)CC(=C)CC1)[C@]2(C)C', '[H][C@:44]12[CH2:29][CH2:24][CH:135]=[C:148]([C:200](=O)[CH2:55][C:147]([CH3:19])=[CH:131][C:198](=O)[CH2:54][C:144](=[CH2:112])[CH2:33][CH2:30]1)[C@:36]2([CH3:24])[CH3:32]', '22 23 H 15.83 -13.51 C:20 19.33 -14.81 C:19 19.10 -8.41 C:16 16.78 -10.05 C:17 17.06 -11.78 O 21.09 -10.05 O 14.71 -8.04 C:12 13.39 -11.11 C:7 18.66 -10.85 C:13 13.39 -12.51 C:3 18.13 -12.76 C:14 14.59 -13.24 C:2 17.06 -13.24 C:5 20.55 -12.51 C:9 16.89 -8.97 C:4 19.33 -13.35 C:8 18.13 -9.69 C:6 20.15 -11.11 C:10 15.43 -9.21 C:11 14.59 -10.42 C:1 15.83 -12.51 C:15 15.83 -11.11 21 1 -1 2 16 2 3 17 1 22 4 -1 22 5 -2 6 18 2 7 19 2 8 10 1 8 20 2 9 17 2 9 18 1 10 12 1 11 13 1 11 16 1 12 21 1 13 21 1 14 16 1 14 18 1 15 17 1 15 19 1 19 20 1 20 22 1 21 22 1', '22 23 H 15.83 -13.51 C 19.33 -14.81 C 19.10 -8.41 C 16.78 -10.05 C 17.06 -11.78 O 21.09 -10.05 O 14.71 -8.04 C 13.39 -11.11 C 18.66 -10.85 C 13.39 -12.51 C 18.13 -12.76 C 14.59 -13.24 C 17.06 -13.24 C 20.55 -12.51 C 16.89 -8.97 C 19.33 -13.35 C 18.13 -9.69 C 20.15 -11.11 C 15.43 -9.21 C 14.59 -10.42 C 15.83 -12.51 C 15.83 -11.11 21 1 -1 2 16 2 3 17 1 22 4 -1 22 5 -2 6 18 2 7 19 2 8 10 1 8 20 2 9 17 2 9 18 1 10 12 1 11 13 1 11 16 1 12 21 1 13 21 1 14 16 1 14 18 1 15 17 1 15 19 1 19 20 1 20 22 1 21 22 1', '22 23 H 15.83 -13.51 C:112 19.33 -14.81 C:19 19.10 -8.41 C:24 16.78 -10.05 C:32 17.06 -11.78 O 21.09 -10.05 O 14.71 -8.04 C:135 13.39 -11.11 C:131 18.66 -10.85 C:24 13.39 -12.51 C:33 18.13 -12.76 C:29 14.59 -13.24 C:30 17.06 -13.24 C:54 20.55 -12.51 C:55 16.89 -8.97 C:144 19.33 -13.35 C:147 18.13 -9.69 C:198 20.15 -11.11 C:200 15.43 -9.21 C:148 14.59 -10.42 C:44 15.83 -12.51 C:36 15.83 -11.11 21 1 -1 2 16 2 3 17 1 22 4 -1 22 5 -2 6 18 2 7 19 2 8 10 1 8 20 2 9 17 2 9 18 1 10 12 1 11 13 1 11 16 1 12 21 1 13 21 1 14 16 1 14 18 1 15 17 1 15 19 1 19 20 1 20 22 1 21 22 1', 'C19H26O2', 286.21, 'C', 'ttl06_6651_4', 3834, '', '', '1', 1, NULL, NULL),
(15181, '2S-Hydroxyisobromosphaerol', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@:9]23[C:10]1=[CH:1][C@@H:2](O)[CH2:3][C@@H:4]([CH:18]([CH3:20])[CH3:19])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]2([CH3:15])[C@@H:14](Br)[CH2:13][CH2:12][C@@:11]3([CH3:16])O', '[H][C@]23C1=C[C@@H](O)C[C@@H](C(C)C)[C@@]1(CBr)CC[C@]2(C)[C@@H](Br)CC[C@@]3(C)O', '[H][C@:51]23[C:137]1=[CH:133][C@@H:69](O)[CH2:28][C@@H:41]([CH:26]([CH3:25])[CH3:19])[C@@:46]1([CH2:39]Br)[CH2:28][CH2:38][C@:43]2([CH3:15])[C@@H:68](Br)[CH2:30][CH2:45][C@@:72]3([CH3:30])O', '25 27 H 17.87 -11.26 C:20 16.64 -15.21 C:19 14.19 -15.21 C:16 17.18 -7.62 C:15 19.11 -9.54 O 12.97 -10.25 O 16.48 -8.83 Br 17.87 -14.50 Br 21.55 -10.96 C:1 15.42 -10.25 C:17 16.64 -13.79 C:13 20.33 -8.83 C:12 19.11 -8.13 C:7 19.11 -12.38 C:6 17.87 -13.08 C:3 14.19 -12.38 C:10 16.64 -10.96 C:18 15.42 -14.50 C:2 14.19 -10.96 C:14 20.33 -10.25 C:4 15.42 -13.08 C:11 17.87 -8.83 C:8 19.11 -10.96 C:9 17.87 -10.25 C:5 16.64 -12.38 24 1 -1 2 18 1 3 18 1 22 4 -1 23 5 -2 19 6 -2 22 7 -2 8 11 1 20 9 -2 10 17 2 10 19 1 25 11 -1 12 13 1 12 20 1 13 22 1 14 15 1 14 23 1 15 25 1 16 19 1 16 21 1 17 24 1 17 25 1 21 18 -2 20 23 1 21 25 1 22 24 1 23 24 1', '25 27 H 17.87 -11.26 C 16.64 -15.21 C 14.19 -15.21 C 17.18 -7.62 C 19.11 -9.54 O 12.97 -10.25 O 16.48 -8.83 Br 17.87 -14.50 Br 21.55 -10.96 C 15.42 -10.25 C 16.64 -13.79 C 20.33 -8.83 C 19.11 -8.13 C 19.11 -12.38 C 17.87 -13.08 C 14.19 -12.38 C 16.64 -10.96 C 15.42 -14.50 C 14.19 -10.96 C 20.33 -10.25 C 15.42 -13.08 C 17.87 -8.83 C 19.11 -10.96 C 17.87 -10.25 C 16.64 -12.38 24 1 -1 2 18 1 3 18 1 22 4 -1 23 5 -2 19 6 -2 22 7 -2 8 11 1 20 9 -2 10 17 2 10 19 1 25 11 -1 12 13 1 12 20 1 13 22 1 14 15 1 14 23 1 15 25 1 16 19 1 16 21 1 17 24 1 17 25 1 21 18 -2 20 23 1 21 25 1 22 24 1 23 24 1', '25 27 H 17.87 -11.26 C:25 16.64 -15.21 C:19 14.19 -15.21 C:30 17.18 -7.62 C:15 19.11 -9.54 O 12.97 -10.25 O 16.48 -8.83 Br 17.87 -14.50 Br 21.55 -10.96 C:133 15.42 -10.25 C:39 16.64 -13.79 C:30 20.33 -8.83 C:45 19.11 -8.13 C:38 19.11 -12.38 C:28 17.87 -13.08 C:28 14.19 -12.38 C:137 16.64 -10.96 C:26 15.42 -14.50 C:69 14.19 -10.96 C:68 20.33 -10.25 C:41 15.42 -13.08 C:72 17.87 -8.83 C:43 19.11 -10.96 C:51 17.87 -10.25 C:46 16.64 -12.38 24 1 -1 2 18 1 3 18 1 22 4 -1 23 5 -2 19 6 -2 22 7 -2 8 11 1 20 9 -2 10 17 2 10 19 1 25 11 -1 12 13 1 12 20 1 13 22 1 14 15 1 14 23 1 15 25 1 16 19 1 16 21 1 17 24 1 17 25 1 21 18 -2 20 23 1 21 25 1 22 24 1 23 24 1', 'C20H32Br2O2', 464.029, 'C', 'np08_1386_1', 3835, '', '', '1', 1, NULL, NULL),
(15182, '2S-Hydroperoxy-12R-hydroxyisobromosphaerol', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@:9]23[C:10]1=[CH:1][C@@H:2](OO)[CH2:3][C@@H:4]([CH:18]([CH3:19])[CH3:20])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]2([CH3:15])[C@@H:14](Br)[CH2:13][C@@H:12](O)[C@@:11]3([CH3:16])O', '[H][C@]23C1=C[C@@H](OO)C[C@@H](C(C)C)[C@@]1(CBr)CC[C@]2(C)[C@@H](Br)C[C@@H](O)[C@@]3(C)O', '[H][C@:50]23[C:139]1=[CH:129][C@@H:82](OO)[CH2:22][C@@H:41]([CH:26]([CH3:19])[CH3:25])[C@@:46]1([CH2:38]Br)[CH2:28][CH2:38][C@:43]2([CH3:15])[C@@H:62](Br)[CH2:38][C@@H:76](O)[C@@:74]3([CH3:25])O', '27 29 H 17.87 -11.71 C:19 14.19 -15.66 C:20 16.64 -15.66 C:16 17.18 -8.07 C:15 19.11 -9.99 O 12.97 -9.30 O 19.11 -7.18 O 16.48 -9.30 Br 17.87 -14.95 Br 21.55 -11.41 C:1 15.42 -10.70 C:17 16.64 -14.24 C:7 19.11 -12.83 C:6 17.87 -13.53 C:13 20.33 -9.30 C:3 14.19 -12.83 O 12.97 -10.70 C:10 16.64 -11.41 C:18 15.42 -14.95 C:12 19.11 -8.58 C:2 14.19 -11.41 C:14 20.33 -10.70 C:4 15.42 -13.53 C:11 17.87 -9.30 C:8 19.11 -11.41 C:9 17.87 -10.70 C:5 16.64 -12.83 26 1 -1 2 19 1 3 19 1 24 4 -1 25 5 -2 6 17 1 20 7 -2 24 8 -2 9 12 1 22 10 -2 11 18 2 11 21 1 27 12 -1 13 14 1 13 25 1 14 27 1 15 20 1 15 22 1 16 21 1 16 23 1 21 17 -2 18 26 1 18 27 1 23 19 -2 20 24 1 22 25 1 23 27 1 24 26 1 25 26 1', '27 29 H 17.87 -11.71 C 14.19 -15.66 C 16.64 -15.66 C 17.18 -8.07 C 19.11 -9.99 O 12.97 -9.30 O 19.11 -7.18 O 16.48 -9.30 Br 17.87 -14.95 Br 21.55 -11.41 C 15.42 -10.70 C 16.64 -14.24 C 19.11 -12.83 C 17.87 -13.53 C 20.33 -9.30 C 14.19 -12.83 O 12.97 -10.70 C 16.64 -11.41 C 15.42 -14.95 C 19.11 -8.58 C 14.19 -11.41 C 20.33 -10.70 C 15.42 -13.53 C 17.87 -9.30 C 19.11 -11.41 C 17.87 -10.70 C 16.64 -12.83 26 1 -1 2 19 1 3 19 1 24 4 -1 25 5 -2 6 17 1 20 7 -2 24 8 -2 9 12 1 22 10 -2 11 18 2 11 21 1 27 12 -1 13 14 1 13 25 1 14 27 1 15 20 1 15 22 1 16 21 1 16 23 1 21 17 -2 18 26 1 18 27 1 23 19 -2 20 24 1 22 25 1 23 27 1 24 26 1 25 26 1', '27 29 H 17.87 -11.71 C:19 14.19 -15.66 C:25 16.64 -15.66 C:25 17.18 -8.07 C:15 19.11 -9.99 O 12.97 -9.30 O 19.11 -7.18 O 16.48 -9.30 Br 17.87 -14.95 Br 21.55 -11.41 C:129 15.42 -10.70 C:38 16.64 -14.24 C:38 19.11 -12.83 C:28 17.87 -13.53 C:38 20.33 -9.30 C:22 14.19 -12.83 O 12.97 -10.70 C:139 16.64 -11.41 C:26 15.42 -14.95 C:76 19.11 -8.58 C:82 14.19 -11.41 C:62 20.33 -10.70 C:41 15.42 -13.53 C:74 17.87 -9.30 C:43 19.11 -11.41 C:50 17.87 -10.70 C:46 16.64 -12.83 26 1 -1 2 19 1 3 19 1 24 4 -1 25 5 -2 6 17 1 20 7 -2 24 8 -2 9 12 1 22 10 -2 11 18 2 11 21 1 27 12 -1 13 14 1 13 25 1 14 27 1 15 20 1 15 22 1 16 21 1 16 23 1 21 17 -2 18 26 1 18 27 1 23 19 -2 20 24 1 22 25 1 23 27 1 24 26 1 25 26 1', 'C20H32Br2O4', 496.028, 'C', 'np08_1386_2', 3835, '', '', '1', 47, NULL, NULL),
(15183, '2S-Hydroperoxy-12S-hydroxyisobromosphaerol', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@:9]23[C:10]1=[CH:1][C@@H:2](OO)[CH2:3][C@@H:4]([CH:18]([CH3:20])[CH3:19])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]2([CH3:15])[C@@H:14](Br)[CH2:13][C@H:12](O)[C@@:11]3([CH3:16])O', '[H][C@]23C1=C[C@@H](OO)C[C@@H](C(C)C)[C@@]1(CBr)CC[C@]2(C)[C@@H](Br)C[C@H](O)[C@@]3(C)O', '[H][C@:46]23[C:140]1=[CH:128][C@@H:82](OO)[CH2:23][C@@H:41]([CH:26]([CH3:25])[CH3:19])[C@@:46]1([CH2:39]Br)[CH2:28][CH2:38][C@:43]2([CH3:15])[C@@H:62](Br)[CH2:36][C@H:78](O)[C@@:75]3([CH3:26])O', '27 29 H 17.87 -11.71 C:20 16.64 -15.66 C:19 14.19 -15.66 C:16 17.18 -8.07 C:15 19.11 -9.99 O 12.97 -9.30 O 19.11 -7.18 O 16.48 -9.30 Br 17.87 -14.95 Br 21.55 -11.41 C:1 15.42 -10.70 C:17 16.64 -14.24 C:7 19.11 -12.83 C:6 17.87 -13.53 C:13 20.33 -9.30 C:3 14.19 -12.83 O 12.97 -10.70 C:10 16.64 -11.41 C:18 15.42 -14.95 C:12 19.11 -8.58 C:2 14.19 -11.41 C:14 20.33 -10.70 C:4 15.42 -13.53 C:11 17.87 -9.30 C:8 19.11 -11.41 C:9 17.87 -10.70 C:5 16.64 -12.83 26 1 -1 2 19 1 3 19 1 24 4 -1 25 5 -2 6 17 1 20 7 -1 24 8 -2 9 12 1 22 10 -2 11 18 2 11 21 1 27 12 -1 13 14 1 13 25 1 14 27 1 15 20 1 15 22 1 16 21 1 16 23 1 21 17 -2 18 26 1 18 27 1 23 19 -2 20 24 1 22 25 1 23 27 1 24 26 1 25 26 1', '27 29 H 17.87 -11.71 C 16.64 -15.66 C 14.19 -15.66 C 17.18 -8.07 C 19.11 -9.99 O 12.97 -9.30 O 19.11 -7.18 O 16.48 -9.30 Br 17.87 -14.95 Br 21.55 -11.41 C 15.42 -10.70 C 16.64 -14.24 C 19.11 -12.83 C 17.87 -13.53 C 20.33 -9.30 C 14.19 -12.83 O 12.97 -10.70 C 16.64 -11.41 C 15.42 -14.95 C 19.11 -8.58 C 14.19 -11.41 C 20.33 -10.70 C 15.42 -13.53 C 17.87 -9.30 C 19.11 -11.41 C 17.87 -10.70 C 16.64 -12.83 26 1 -1 2 19 1 3 19 1 24 4 -1 25 5 -2 6 17 1 20 7 -1 24 8 -2 9 12 1 22 10 -2 11 18 2 11 21 1 27 12 -1 13 14 1 13 25 1 14 27 1 15 20 1 15 22 1 16 21 1 16 23 1 21 17 -2 18 26 1 18 27 1 23 19 -2 20 24 1 22 25 1 23 27 1 24 26 1 25 26 1', '27 29 H 17.87 -11.71 C:25 16.64 -15.66 C:19 14.19 -15.66 C:26 17.18 -8.07 C:15 19.11 -9.99 O 12.97 -9.30 O 19.11 -7.18 O 16.48 -9.30 Br 17.87 -14.95 Br 21.55 -11.41 C:128 15.42 -10.70 C:39 16.64 -14.24 C:38 19.11 -12.83 C:28 17.87 -13.53 C:36 20.33 -9.30 C:23 14.19 -12.83 O 12.97 -10.70 C:140 16.64 -11.41 C:26 15.42 -14.95 C:78 19.11 -8.58 C:82 14.19 -11.41 C:62 20.33 -10.70 C:41 15.42 -13.53 C:75 17.87 -9.30 C:43 19.11 -11.41 C:46 17.87 -10.70 C:46 16.64 -12.83 26 1 -1 2 19 1 3 19 1 24 4 -1 25 5 -2 6 17 1 20 7 -1 24 8 -2 9 12 1 22 10 -2 11 18 2 11 21 1 27 12 -1 13 14 1 13 25 1 14 27 1 15 20 1 15 22 1 16 21 1 16 23 1 21 17 -2 18 26 1 18 27 1 23 19 -2 20 24 1 22 25 1 23 27 1 24 26 1 25 26 1', 'C20H32Br2O4', 496.028, 'C', 'np08_1386_3', 3835, '', '', '1', 47, NULL, NULL),
(15184, '1S-Hydroxy-1,2-dihydrosphaerococcenol-A', '', 'Terpenoids', 'Diterpenoids', 'Sphaeranes', '[H][C@@:10]13[C@@H:1](O)[CH2:2][CH2:3][C@@H:4]([CH:18]([CH3:20])[CH3:19])[C@@:5]1([CH2:17]Br)[CH2:6][CH2:7][C@:8]2([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]([CH3:16])(O)[C@:9]23[H]', '[H][C@@]13[C@@H](O)CC[C@@H](C(C)C)[C@@]1(CBr)CC[C@]2(C)C=CC(=O)[C@@](C)(O)[C@]23[H]', '[H][C@@:49]13[C@@H:76](O)[CH2:29][CH2:23][C@@H:44]([CH:26]([CH3:26])[CH3:21])[C@@:43]1([CH2:39]Br)[CH2:27][CH2:34][C@:38]2([CH3:25])[CH:154]=[CH:130][C:201](=O)[C@@:84]([CH3:28])(O)[C@:50]23[H]', '26 28 H 16.60 -10.41 H 17.84 -11.73 C:20 16.60 -15.72 C:19 14.12 -15.72 C:16 17.14 -8.05 C:15 19.09 -9.99 O 19.09 -7.15 O 15.36 -9.29 O 16.44 -9.29 Br 17.84 -15.00 C:13 20.33 -9.29 C:14 20.33 -10.70 C:17 16.60 -14.28 C:2 14.12 -11.42 C:3 14.12 -12.86 C:7 19.09 -12.86 C:6 17.84 -13.57 C:12 19.09 -8.56 C:18 15.36 -15.00 C:1 15.36 -10.70 C:4 15.36 -13.57 C:11 17.84 -9.29 C:8 19.09 -11.42 C:10 16.60 -11.42 C:9 17.84 -10.70 C:5 16.60 -12.86 24 1 -2 25 2 -1 3 19 1 4 19 1 22 5 -1 23 6 -2 7 18 2 20 8 -2 22 9 -2 10 13 1 11 12 2 11 18 1 12 23 1 26 13 -1 14 15 1 14 20 1 15 21 1 16 17 1 16 23 1 17 26 1 18 22 1 21 19 -2 20 24 1 21 26 1 22 25 1 23 25 1 24 25 1 24 26 1', '26 28 H 16.60 -10.41 H 17.84 -11.73 C 16.60 -15.72 C 14.12 -15.72 C 17.14 -8.05 C 19.09 -9.99 O 19.09 -7.15 O 15.36 -9.29 O 16.44 -9.29 Br 17.84 -15.00 C 20.33 -9.29 C 20.33 -10.70 C 16.60 -14.28 C 14.12 -11.42 C 14.12 -12.86 C 19.09 -12.86 C 17.84 -13.57 C 19.09 -8.56 C 15.36 -15.00 C 15.36 -10.70 C 15.36 -13.57 C 17.84 -9.29 C 19.09 -11.42 C 16.60 -11.42 C 17.84 -10.70 C 16.60 -12.86 24 1 -2 25 2 -1 3 19 1 4 19 1 22 5 -1 23 6 -2 7 18 2 20 8 -2 22 9 -2 10 13 1 11 12 2 11 18 1 12 23 1 26 13 -1 14 15 1 14 20 1 15 21 1 16 17 1 16 23 1 17 26 1 18 22 1 21 19 -2 20 24 1 21 26 1 22 25 1 23 25 1 24 25 1 24 26 1', '26 28 H 16.60 -10.41 H 17.84 -11.73 C:26 16.60 -15.72 C:21 14.12 -15.72 C:28 17.14 -8.05 C:25 19.09 -9.99 O 19.09 -7.15 O 15.36 -9.29 O 16.44 -9.29 Br 17.84 -15.00 C:130 20.33 -9.29 C:154 20.33 -10.70 C:39 16.60 -14.28 C:29 14.12 -11.42 C:23 14.12 -12.86 C:34 19.09 -12.86 C:27 17.84 -13.57 C:201 19.09 -8.56 C:26 15.36 -15.00 C:76 15.36 -10.70 C:44 15.36 -13.57 C:84 17.84 -9.29 C:38 19.09 -11.42 C:49 16.60 -11.42 C:50 17.84 -10.70 C:43 16.60 -12.86 24 1 -2 25 2 -1 3 19 1 4 19 1 22 5 -1 23 6 -2 7 18 2 20 8 -2 22 9 -2 10 13 1 11 12 2 11 18 1 12 23 1 26 13 -1 14 15 1 14 20 1 15 21 1 16 17 1 16 23 1 17 26 1 18 22 1 21 19 -2 20 24 1 21 26 1 22 25 1 23 25 1 24 25 1 24 26 1', 'C20H31BrO3', 399.132, 'C', 'np08_1386_4', 3835, '', '', '1', 47, NULL, NULL);
