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
(16012, 'Aquariolide A', '', 'Terpenoids', 'Diterpenoids', 'Aquarianes', '[H][C@:13]23[CH:1]=[CH:2][C@:3]4([H])[C@H:4](O[C:4001]([CH3:4002])=O)[C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]1O[C:18](=O)[C@H:17]([CH3:19])[C@@:8]1(O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([H])([C@:11]([CH3:20])(O)[C:12]2=O)[C@:14]34[CH3:15]', '[H][C@]23C=C[C@]4([H])[C@H](OC(C)=O)C(=C)[C@H](Cl)[C@@H]1OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@@]([H])([C@](C)(O)C2=O)[C@]34C', '[H][C@:69]23[CH:132]=[CH:127][C@:63]4([H])[C@H:68](O[C:171]([CH3:21])=O)[C:140](=[CH2:124])[C@H:62](Cl)[C@@H:78]1O[C:175](=O)[C@H:43]([CH3:77])[C@@:82]1(O)[C@@H:68](O[C:170]([CH3:22])=O)[C@@:44]([H])([C@:80]([CH3:22])(O)[C:209]2=O)[C@:50]34[CH3:29]', '37 40 H 12.58 -9.80 H 16.16 -7.87 H 15.34 -12.62 C:16 19.37 -7.87 C:4002 18.26 -4.94 C:9002 14.35 -15.65 C:19 17.64 -15.05 C:20 14.35 -13.76 C:15 16.45 -10.41 O 19.47 -7.07 O 16.69 -16.24 O 20.67 -14.82 O 11.57 -11.51 O 13.11 -13.44 O 17.50 -11.18 Cl 20.54 -10.00 C:1 13.48 -8.46 C:2 14.79 -7.87 O 17.10 -7.07 O 16.04 -13.90 O 20.10 -12.37 C:4001 18.26 -6.34 C:9001 15.69 -15.26 C:5 18.44 -8.95 C:18 19.75 -13.76 C:12 12.96 -11.30 C:17 18.37 -13.90 C:6 19.16 -10.20 C:4 17.10 -8.46 C:7 18.92 -11.62 C:9 16.38 -12.55 C:13 13.61 -10.00 C:3 15.75 -8.95 C:11 14.01 -12.32 C:10 15.34 -11.62 C:14 15.03 -10.20 C:8 17.82 -12.55 32 1 -1 33 2 -1 35 3 -2 4 24 2 5 22 1 6 23 1 27 7 -2 34 8 -1 36 9 -1 10 22 2 11 23 2 12 25 2 13 26 2 34 14 -2 37 15 -2 28 16 -2 17 18 2 17 32 1 18 33 1 19 22 1 29 19 -2 20 23 1 31 20 -1 21 25 1 30 21 -2 24 28 1 24 29 1 25 27 1 26 32 1 26 34 1 27 37 1 28 30 1 29 33 1 30 37 1 31 35 1 31 37 1 32 36 1 33 36 1 34 35 1 35 36 1', '37 40 H 12.58 -9.80 H 16.16 -7.87 H 15.34 -12.62 C 19.37 -7.87 C 18.26 -4.94 C 14.35 -15.65 C 17.64 -15.05 C 14.35 -13.76 C 16.45 -10.41 O 19.47 -7.07 O 16.69 -16.24 O 20.67 -14.82 O 11.57 -11.51 O 13.11 -13.44 O 17.50 -11.18 Cl 20.54 -10.00 C 13.48 -8.46 C 14.79 -7.87 O 17.10 -7.07 O 16.04 -13.90 O 20.10 -12.37 C 18.26 -6.34 C 15.69 -15.26 C 18.44 -8.95 C 19.75 -13.76 C 12.96 -11.30 C 18.37 -13.90 C 19.16 -10.20 C 17.10 -8.46 C 18.92 -11.62 C 16.38 -12.55 C 13.61 -10.00 C 15.75 -8.95 C 14.01 -12.32 C 15.34 -11.62 C 15.03 -10.20 C 17.82 -12.55 32 1 -1 33 2 -1 35 3 -2 4 24 2 5 22 1 6 23 1 27 7 -2 34 8 -1 36 9 -1 10 22 2 11 23 2 12 25 2 13 26 2 34 14 -2 37 15 -2 28 16 -2 17 18 2 17 32 1 18 33 1 19 22 1 29 19 -2 20 23 1 31 20 -1 21 25 1 30 21 -2 24 28 1 24 29 1 25 27 1 26 32 1 26 34 1 27 37 1 28 30 1 29 33 1 30 37 1 31 35 1 31 37 1 32 36 1 33 36 1 34 35 1 35 36 1', '37 40 H 12.58 -9.80 H 16.16 -7.87 H 15.34 -12.62 C:124 19.37 -7.87 C:21 18.26 -4.94 C:22 14.35 -15.65 C:7 17.64 -15.05 C:22 14.35 -13.76 C:29 16.45 -10.41 O 19.47 -7.07 O 16.69 -16.24 O 20.67 -14.82 O 11.57 -11.51 O 13.11 -13.44 O 17.50 -11.18 Cl 20.54 -10.00 C:132 13.48 -8.46 C:127 14.79 -7.87 O 17.10 -7.07 O 16.04 -13.90 O 20.10 -12.37 C:171 18.26 -6.34 C:170 15.69 -15.26 C:140 18.44 -8.95 C:175 19.75 -13.76 C:209 12.96 -11.30 C:43 18.37 -13.90 C:62 19.16 -10.20 C:68 17.10 -8.46 C:78 18.92 -11.62 C:68 16.38 -12.55 C:69 13.61 -10.00 C:63 15.75 -8.95 C:80 14.01 -12.32 C:44 15.34 -11.62 C:50 15.03 -10.20 C:82 17.82 -12.55 32 1 -1 33 2 -1 35 3 -2 4 24 2 5 22 1 6 23 1 27 7 -2 34 8 -1 36 9 -1 10 22 2 11 23 2 12 25 2 13 26 2 34 14 -2 37 15 -2 28 16 -2 17 18 2 17 32 1 18 33 1 19 22 1 29 19 -2 20 23 1 31 20 -1 21 25 1 30 21 -2 24 28 1 24 29 1 25 27 1 26 32 1 26 34 1 27 37 1 28 30 1 29 33 1 30 37 1 31 35 1 31 37 1 32 36 1 33 36 1 34 35 1 35 36 1', 'C24H29ClO9', 496.728, 'C', 'ol02_4085_6', 4019, '', 'Erythropodium caribaeorum, antimitotic', '1', 45, NULL, NULL),
(16013, 'Umbraculolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@:11]45[CH2:20]O5', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)CC[C@]45CO5', '[H][C@@:42]34[C@H:64](O[C:170]([CH3:9999])=O)[C@:70]12O[C@:66]1([CH3:11])[C:171](=O)O[C@H:75]2[CH:119]=[C:144]([CH3:27])[CH2:29][CH2:31][C@H:74](O[C:171]([CH3:9999])=O)[C@@:49]3([CH3:14])[C@@H:75](O[C:169]([CH3:9999])=O)[CH2:24][CH2:29][C@:58]45[CH2:50]O5', '37 41 H 15.75 -10.83 C:2002 16.89 -5.06 C:14002 12.68 -5.84 C:9002 15.02 -16.14 C:16 20.86 -9.31 C:18 16.15 -15.22 C:15 15.02 -8.41 O 18.19 -6.99 O 11.44 -7.94 O 12.97 -14.90 O 19.13 -16.14 C:6 19.50 -11.33 C:4 18.68 -8.70 C:3 17.32 -8.29 C:13 12.75 -9.99 C:12 12.75 -11.33 C:20 13.89 -13.41 O 12.68 -12.70 O 15.75 -7.32 O 13.89 -7.94 O 19.50 -13.72 O 15.13 -13.72 O 18.53 -13.72 C:2001 16.89 -6.46 C:14001 12.68 -7.23 C:9001 14.37 -14.90 C:5 19.50 -9.86 C:19 18.68 -14.82 C:7 18.68 -12.51 C:2 15.97 -8.70 C:14 13.89 -9.31 C:9 15.84 -12.51 C:17 17.32 -14.42 C:10 15.02 -11.33 C:1 15.02 -9.99 C:11 13.89 -12.00 C:8 17.32 -13.02 34 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -1 35 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 12 27 2 12 29 1 13 14 1 13 27 1 14 30 1 15 16 1 15 31 1 16 36 1 17 18 1 36 17 -1 18 36 1 19 24 1 30 19 -1 20 25 1 31 20 -2 21 28 1 29 21 -2 22 26 1 32 22 -1 23 33 1 37 23 -2 28 33 1 29 37 1 30 35 1 31 35 1 32 34 1 32 37 1 33 37 1 34 35 1 34 36 1', '37 41 H 15.75 -10.83 C 16.89 -5.06 C 12.68 -5.84 C 15.02 -16.14 C 20.86 -9.31 C 16.15 -15.22 C 15.02 -8.41 O 18.19 -6.99 O 11.44 -7.94 O 12.97 -14.90 O 19.13 -16.14 C 19.50 -11.33 C 18.68 -8.70 C 17.32 -8.29 C 12.75 -9.99 C 12.75 -11.33 C 13.89 -13.41 O 12.68 -12.70 O 15.75 -7.32 O 13.89 -7.94 O 19.50 -13.72 O 15.13 -13.72 O 18.53 -13.72 C 16.89 -6.46 C 12.68 -7.23 C 14.37 -14.90 C 19.50 -9.86 C 18.68 -14.82 C 18.68 -12.51 C 15.97 -8.70 C 13.89 -9.31 C 15.84 -12.51 C 17.32 -14.42 C 15.02 -11.33 C 15.02 -9.99 C 13.89 -12.00 C 17.32 -13.02 34 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -1 35 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 12 27 2 12 29 1 13 14 1 13 27 1 14 30 1 15 16 1 15 31 1 16 36 1 17 18 1 36 17 -1 18 36 1 19 24 1 30 19 -1 20 25 1 31 20 -2 21 28 1 29 21 -2 22 26 1 32 22 -1 23 33 1 37 23 -2 28 33 1 29 37 1 30 35 1 31 35 1 32 34 1 32 37 1 33 37 1 34 35 1 34 36 1', '37 41 H 15.75 -10.83 C 16.89 -5.06 C 12.68 -5.84 C 15.02 -16.14 C:27 20.86 -9.31 C:11 16.15 -15.22 C:14 15.02 -8.41 O 18.19 -6.99 O 11.44 -7.94 O 12.97 -14.90 O 19.13 -16.14 C:119 19.50 -11.33 C:29 18.68 -8.70 C:31 17.32 -8.29 C:24 12.75 -9.99 C:29 12.75 -11.33 C:50 13.89 -13.41 O 12.68 -12.70 O 15.75 -7.32 O 13.89 -7.94 O 19.50 -13.72 O 15.13 -13.72 O 18.53 -13.72 C:171 16.89 -6.46 C:169 12.68 -7.23 C:170 14.37 -14.90 C:144 19.50 -9.86 C:171 18.68 -14.82 C:75 18.68 -12.51 C:74 15.97 -8.70 C:75 13.89 -9.31 C:64 15.84 -12.51 C:66 17.32 -14.42 C:42 15.02 -11.33 C:49 15.02 -9.99 C:58 13.89 -12.00 C:70 17.32 -13.02 34 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -1 35 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 12 27 2 12 29 1 13 14 1 13 27 1 14 30 1 15 16 1 15 31 1 16 36 1 17 18 1 36 17 -1 18 36 1 19 24 1 30 19 -1 20 25 1 31 20 -2 21 28 1 29 21 -2 22 26 1 32 22 -1 23 33 1 37 23 -2 28 33 1 29 37 1 30 35 1 31 35 1 32 34 1 32 37 1 33 37 1 34 35 1 34 36 1', 'C26H34O10', 506.28, 'C', 'tt00_4585_4', 4020, '', 'Gorgonella umbraculum', '1', 45, NULL, NULL),
(16014, 'Umbraculolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@@:11]3([CH3:20])O', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)CC[C@@]3(C)O', '[H][C@@:57]23[C@H:74](O[C:170]([CH3:9999])=O)[C@:83]1(O)[C@@H:50]([CH3:7])[C:175](=O)O[C@H:76]1[C@@H:65](Cl)[C:142](=[CH2:115])[CH:130]=[CH:133][C@H:81](O[C:170]([CH3:9999])=O)[C@@:49]2([CH3:15])[C@@H:72](O[C:170]([CH3:9999])=O)[CH2:34][CH2:30][C@@:73]3([CH3:29])O', '38 40 H 16.73 -11.63 C:16 21.93 -10.00 C:2002 18.38 -5.87 C:14002 13.77 -6.44 C:9002 14.07 -15.84 C:18 17.23 -15.92 C:20 14.97 -14.11 C:15 15.97 -9.32 O 19.57 -7.99 O 12.55 -8.50 O 16.21 -17.02 O 20.20 -16.84 O 13.77 -13.42 O 18.38 -12.30 Cl 21.93 -12.58 C:4 19.75 -9.40 C:3 18.38 -10.00 C:13 13.83 -10.67 C:12 13.83 -12.05 O 17.15 -7.99 O 14.97 -8.62 O 16.11 -14.60 O 20.57 -14.41 C:2001 18.38 -7.30 C:14001 13.77 -7.86 C:9001 15.47 -15.84 C:5 20.57 -10.55 C:19 19.75 -15.53 C:17 18.38 -15.12 C:6 20.57 -12.05 C:2 17.15 -9.40 C:14 14.97 -10.00 C:7 19.75 -13.24 C:9 16.92 -13.24 C:11 14.97 -12.73 C:10 16.11 -12.05 C:1 16.11 -10.67 C:8 18.38 -13.72 36 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 35 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 35 13 -2 38 14 -2 30 15 -2 16 17 2 16 27 1 17 31 1 18 19 1 18 32 1 19 35 1 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 34 22 -1 23 28 1 33 23 -2 27 30 1 28 29 1 29 38 1 30 33 1 31 37 1 32 37 1 33 38 1 34 36 1 34 38 1 35 36 1 36 37 1', '38 40 H 16.73 -11.63 C 21.93 -10.00 C 18.38 -5.87 C 13.77 -6.44 C 14.07 -15.84 C 17.23 -15.92 C 14.97 -14.11 C 15.97 -9.32 O 19.57 -7.99 O 12.55 -8.50 O 16.21 -17.02 O 20.20 -16.84 O 13.77 -13.42 O 18.38 -12.30 Cl 21.93 -12.58 C 19.75 -9.40 C 18.38 -10.00 C 13.83 -10.67 C 13.83 -12.05 O 17.15 -7.99 O 14.97 -8.62 O 16.11 -14.60 O 20.57 -14.41 C 18.38 -7.30 C 13.77 -7.86 C 15.47 -15.84 C 20.57 -10.55 C 19.75 -15.53 C 18.38 -15.12 C 20.57 -12.05 C 17.15 -9.40 C 14.97 -10.00 C 19.75 -13.24 C 16.92 -13.24 C 14.97 -12.73 C 16.11 -12.05 C 16.11 -10.67 C 18.38 -13.72 36 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 35 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 35 13 -2 38 14 -2 30 15 -2 16 17 2 16 27 1 17 31 1 18 19 1 18 32 1 19 35 1 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 34 22 -1 23 28 1 33 23 -2 27 30 1 28 29 1 29 38 1 30 33 1 31 37 1 32 37 1 33 38 1 34 36 1 34 38 1 35 36 1 36 37 1', '38 40 H 16.73 -11.63 C:115 21.93 -10.00 C 18.38 -5.87 C 13.77 -6.44 C 14.07 -15.84 C:7 17.23 -15.92 C:29 14.97 -14.11 C:15 15.97 -9.32 O 19.57 -7.99 O 12.55 -8.50 O 16.21 -17.02 O 20.20 -16.84 O 13.77 -13.42 O 18.38 -12.30 Cl 21.93 -12.58 C:130 19.75 -9.40 C:133 18.38 -10.00 C:34 13.83 -10.67 C:30 13.83 -12.05 O 17.15 -7.99 O 14.97 -8.62 O 16.11 -14.60 O 20.57 -14.41 C:170 18.38 -7.30 C:170 13.77 -7.86 C:170 15.47 -15.84 C:142 20.57 -10.55 C:175 19.75 -15.53 C:50 18.38 -15.12 C:65 20.57 -12.05 C:81 17.15 -9.40 C:72 14.97 -10.00 C:76 19.75 -13.24 C:74 16.92 -13.24 C:73 14.97 -12.73 C:57 16.11 -12.05 C:49 16.11 -10.67 C:83 18.38 -13.72 36 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 35 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 35 13 -2 38 14 -2 30 15 -2 16 17 2 16 27 1 17 31 1 18 19 1 18 32 1 19 35 1 20 24 1 31 20 -1 21 25 1 32 21 -2 22 26 1 34 22 -1 23 28 1 33 23 -2 27 30 1 28 29 1 29 38 1 30 33 1 31 37 1 32 37 1 33 38 1 34 36 1 34 38 1 35 36 1 36 37 1', 'C26H35ClO10', 542.733, 'C', 'tt00_4585_6', 4020, '', 'Gorgonella umbraculum', '1', 45, NULL, NULL),
(16015, 'Briaexcavatin C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]15[C@@H:11]([CH3:20])[C:12](=O)[CH:13]=[CH:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH3:3004])[CH2:4][C@@:5]2([CH3:16])O[C@H:6]2[C@@H:7]3O[C:19](=O)[C@@:17]4([CH3:18])O[C@:8]34[C@H:9]5O[C:9001]([CH3:9002])=O', '[H][C@]15[C@@H](C)C(=O)C=C[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CCC)C[C@@]2(C)O[C@H]2[C@@H]3OC(=O)[C@@]4(C)O[C@]34[C@H]5OC(C)=O', '[H][C@:42]15[C@@H:40]([CH3:15])[C:201](=O)[CH:126]=[CH:155][C@:43]1([CH3:18])[C@@H:81](O[C:170]([CH3:22])=O)[C@@H:71](O[C:172](=O)[CH2:36][CH2:18][CH3:14])[CH2:33][C@@:60]2([CH3:22])O[C@H:63]2[C@@H:77]3O[C:170](=O)[C@@:60]4([CH3:10])O[C@:69]34[C@H:66]5O[C:169]([CH3:22])=O', '40 44 H 15.67 -12.04 C:3004 19.59 -3.85 C:2002 14.12 -6.67 C:9002 14.94 -17.33 C:20 13.81 -14.62 C:16 20.77 -10.57 C:15 14.94 -9.62 C:18 16.07 -16.41 O 13.29 -8.96 O 12.89 -16.09 O 11.46 -13.25 O 19.62 -8.05 O 19.04 -17.33 C:13 12.67 -11.20 C:14 13.81 -10.52 C:3003 19.59 -5.25 C:3002 18.39 -5.96 C:4 18.59 -9.91 O 15.67 -8.54 O 15.05 -14.92 O 17.23 -8.10 O 19.41 -14.92 O 20.67 -11.81 O 18.44 -14.92 C:2001 14.36 -8.06 C:9001 14.29 -16.09 C:12 12.67 -12.54 C:3001 18.39 -7.37 C:19 18.59 -16.01 C:11 13.81 -13.21 C:3 17.23 -9.50 C:2 15.89 -9.91 C:6 19.41 -12.54 C:7 18.59 -13.72 C:9 15.76 -13.72 C:5 19.41 -11.07 C:1 14.94 -11.20 C:17 17.23 -15.62 C:10 14.94 -12.54 C:8 17.23 -14.23 39 1 -2 2 16 1 3 25 1 4 26 1 30 5 -1 36 6 -2 37 7 -1 38 8 -1 9 25 2 10 26 2 11 27 2 12 28 2 13 29 2 14 15 2 14 27 1 15 37 1 16 17 1 17 28 1 18 31 1 18 36 1 19 25 1 32 19 -1 20 26 1 35 20 -1 21 28 1 31 21 -1 22 29 1 34 22 -2 33 23 -1 23 36 1 24 38 1 40 24 -2 27 30 1 29 38 1 30 39 1 31 32 1 32 37 1 33 34 1 33 36 1 34 40 1 35 39 1 35 40 1 37 39 1 38 40 1', '40 44 H 15.67 -12.04 C 19.59 -3.85 C 14.12 -6.67 C 14.94 -17.33 C 13.81 -14.62 C 20.77 -10.57 C 14.94 -9.62 C 16.07 -16.41 O 13.29 -8.96 O 12.89 -16.09 O 11.46 -13.25 O 19.62 -8.05 O 19.04 -17.33 C 12.67 -11.20 C 13.81 -10.52 C 19.59 -5.25 C 18.39 -5.96 C 18.59 -9.91 O 15.67 -8.54 O 15.05 -14.92 O 17.23 -8.10 O 19.41 -14.92 O 20.67 -11.81 O 18.44 -14.92 C 14.36 -8.06 C 14.29 -16.09 C 12.67 -12.54 C 18.39 -7.37 C 18.59 -16.01 C 13.81 -13.21 C 17.23 -9.50 C 15.89 -9.91 C 19.41 -12.54 C 18.59 -13.72 C 15.76 -13.72 C 19.41 -11.07 C 14.94 -11.20 C 17.23 -15.62 C 14.94 -12.54 C 17.23 -14.23 39 1 -2 2 16 1 3 25 1 4 26 1 30 5 -1 36 6 -2 37 7 -1 38 8 -1 9 25 2 10 26 2 11 27 2 12 28 2 13 29 2 14 15 2 14 27 1 15 37 1 16 17 1 17 28 1 18 31 1 18 36 1 19 25 1 32 19 -1 20 26 1 35 20 -1 21 28 1 31 21 -1 22 29 1 34 22 -2 33 23 -1 23 36 1 24 38 1 40 24 -2 27 30 1 29 38 1 30 39 1 31 32 1 32 37 1 33 34 1 33 36 1 34 40 1 35 39 1 35 40 1 37 39 1 38 40 1', '40 44 H 15.67 -12.04 C:14 19.59 -3.85 C:22 14.12 -6.67 C:22 14.94 -17.33 C:15 13.81 -14.62 C:22 20.77 -10.57 C:18 14.94 -9.62 C:10 16.07 -16.41 O 13.29 -8.96 O 12.89 -16.09 O 11.46 -13.25 O 19.62 -8.05 O 19.04 -17.33 C:126 12.67 -11.20 C:155 13.81 -10.52 C:18 19.59 -5.25 C:36 18.39 -5.96 C:33 18.59 -9.91 O 15.67 -8.54 O 15.05 -14.92 O 17.23 -8.10 O 19.41 -14.92 O 20.67 -11.81 O 18.44 -14.92 C:170 14.36 -8.06 C:169 14.29 -16.09 C:201 12.67 -12.54 C:172 18.39 -7.37 C:170 18.59 -16.01 C:40 13.81 -13.21 C:71 17.23 -9.50 C:81 15.89 -9.91 C:63 19.41 -12.54 C:77 18.59 -13.72 C:66 15.76 -13.72 C:60 19.41 -11.07 C:43 14.94 -11.20 C:60 17.23 -15.62 C:42 14.94 -12.54 C:69 17.23 -14.23 39 1 -2 2 16 1 3 25 1 4 26 1 30 5 -1 36 6 -2 37 7 -1 38 8 -1 9 25 2 10 26 2 11 27 2 12 28 2 13 29 2 14 15 2 14 27 1 15 37 1 16 17 1 17 28 1 18 31 1 18 36 1 19 25 1 32 19 -1 20 26 1 35 20 -1 21 28 1 31 21 -1 22 29 1 34 22 -2 33 23 -1 23 36 1 24 38 1 40 24 -2 27 30 1 29 38 1 30 39 1 31 32 1 32 37 1 33 34 1 33 36 1 34 40 1 35 39 1 35 40 1 37 39 1 38 40 1', 'C28H36O11', 548.301, 'C', 'tt06_5686_1', 4021, '', 'Briareum excavatum, citotÛxica', '1', 45, NULL, NULL),
(16016, 'Briaexcavatin D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH:12004]=[CH2:12005])[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)[C@@H](OC(=O)CCC=C)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:40]14[C@@H:32]([CH3:10])[C@@H:69](O[C:172](=O)[CH2:33][CH2:29][CH:136]=[CH2:116])[CH2:27][C@H:81](O[C:169]([CH3:21])=O)[C@:44]1([CH3:18])[C@@H:81](O[C:171]([CH3:22])=O)[C@@H:73](O[C:170]([CH3:22])=O)[CH2:34][C:139]([CH3:22])=[CH:122][C@@H:74]2O[C:172](=O)[C@@:60]3([CH3:10])O[C@:69]23[C@H:66]4O[C:170]([CH3:22])=O', '47 50 H 18.71 -10.99 C:12005 8.42 -11.71 C:3002 21.45 -4.91 C:14002 15.65 -5.99 C:2002 17.52 -5.36 C:9002 17.98 -16.30 C:16 23.83 -9.47 C:20 16.86 -13.58 C:18 19.12 -15.38 C:15 17.98 -8.57 O 22.68 -6.98 O 14.41 -8.11 O 19.95 -5.36 O 15.94 -15.06 O 13.27 -10.15 O 22.10 -16.30 C:12004 9.66 -12.37 C:6 22.47 -11.55 C:12003 10.84 -11.63 C:12002 12.08 -12.29 C:4 21.65 -8.86 C:13 15.72 -10.15 O 20.29 -7.05 O 16.86 -8.11 O 18.71 -7.49 O 18.09 -13.88 O 14.50 -12.21 O 22.47 -13.88 O 21.50 -13.88 C:3001 21.45 -6.30 C:14001 15.65 -7.40 C:2001 18.71 -6.07 C:9001 17.33 -15.06 C:5 22.47 -10.02 C:12001 13.27 -11.55 C:19 21.65 -14.98 C:11 16.86 -12.21 C:12 15.72 -11.55 C:3 20.29 -8.45 C:7 21.65 -12.68 C:14 16.86 -9.47 C:2 18.94 -8.86 C:9 18.80 -12.68 C:10 17.98 -11.55 C:17 20.29 -14.58 C:1 17.98 -10.15 C:8 20.29 -13.19 44 1 -2 2 17 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 37 8 -1 45 9 -1 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 19 1 18 34 2 18 40 1 19 20 1 20 35 1 21 34 1 21 39 1 22 38 1 22 41 1 23 30 1 39 23 -1 24 31 1 41 24 -2 25 32 1 42 25 -1 26 33 1 43 26 -1 27 35 1 38 27 -1 28 36 1 40 28 -2 29 45 1 47 29 -2 36 45 1 37 38 1 37 44 1 39 42 1 40 47 1 41 46 1 42 46 1 43 44 1 43 47 1 44 46 1 45 47 1', '47 50 H 18.71 -10.99 C 8.42 -11.71 C 21.45 -4.91 C 15.65 -5.99 C 17.52 -5.36 C 17.98 -16.30 C 23.83 -9.47 C 16.86 -13.58 C 19.12 -15.38 C 17.98 -8.57 O 22.68 -6.98 O 14.41 -8.11 O 19.95 -5.36 O 15.94 -15.06 O 13.27 -10.15 O 22.10 -16.30 C 9.66 -12.37 C 22.47 -11.55 C 10.84 -11.63 C 12.08 -12.29 C 21.65 -8.86 C 15.72 -10.15 O 20.29 -7.05 O 16.86 -8.11 O 18.71 -7.49 O 18.09 -13.88 O 14.50 -12.21 O 22.47 -13.88 O 21.50 -13.88 C 21.45 -6.30 C 15.65 -7.40 C 18.71 -6.07 C 17.33 -15.06 C 22.47 -10.02 C 13.27 -11.55 C 21.65 -14.98 C 16.86 -12.21 C 15.72 -11.55 C 20.29 -8.45 C 21.65 -12.68 C 16.86 -9.47 C 18.94 -8.86 C 18.80 -12.68 C 17.98 -11.55 C 20.29 -14.58 C 17.98 -10.15 C 20.29 -13.19 44 1 -2 2 17 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 37 8 -1 45 9 -1 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 19 1 18 34 2 18 40 1 19 20 1 20 35 1 21 34 1 21 39 1 22 38 1 22 41 1 23 30 1 39 23 -1 24 31 1 41 24 -2 25 32 1 42 25 -1 26 33 1 43 26 -1 27 35 1 38 27 -1 28 36 1 40 28 -2 29 45 1 47 29 -2 36 45 1 37 38 1 37 44 1 39 42 1 40 47 1 41 46 1 42 46 1 43 44 1 43 47 1 44 46 1 45 47 1', '47 50 H 18.71 -10.99 C:116 8.42 -11.71 C:22 21.45 -4.91 C:21 15.65 -5.99 C:22 17.52 -5.36 C:22 17.98 -16.30 C:22 23.83 -9.47 C:10 16.86 -13.58 C:10 19.12 -15.38 C:18 17.98 -8.57 O 22.68 -6.98 O 14.41 -8.11 O 19.95 -5.36 O 15.94 -15.06 O 13.27 -10.15 O 22.10 -16.30 C:136 9.66 -12.37 C:122 22.47 -11.55 C:29 10.84 -11.63 C:33 12.08 -12.29 C:34 21.65 -8.86 C:27 15.72 -10.15 O 20.29 -7.05 O 16.86 -8.11 O 18.71 -7.49 O 18.09 -13.88 O 14.50 -12.21 O 22.47 -13.88 O 21.50 -13.88 C:170 21.45 -6.30 C:169 15.65 -7.40 C:171 18.71 -6.07 C:170 17.33 -15.06 C:139 22.47 -10.02 C:172 13.27 -11.55 C:172 21.65 -14.98 C:32 16.86 -12.21 C:69 15.72 -11.55 C:73 20.29 -8.45 C:74 21.65 -12.68 C:81 16.86 -9.47 C:81 18.94 -8.86 C:66 18.80 -12.68 C:40 17.98 -11.55 C:60 20.29 -14.58 C:44 17.98 -10.15 C:69 20.29 -13.19 44 1 -2 2 17 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 37 8 -1 45 9 -1 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 19 1 18 34 2 18 40 1 19 20 1 20 35 1 21 34 1 21 39 1 22 38 1 22 41 1 23 30 1 39 23 -1 24 31 1 41 24 -2 25 32 1 42 25 -1 26 33 1 43 26 -1 27 35 1 38 27 -1 28 36 1 40 28 -2 29 45 1 47 29 -2 36 45 1 37 38 1 37 44 1 39 42 1 40 47 1 41 46 1 42 46 1 43 44 1 43 47 1 44 46 1 45 47 1', 'C33H44O13', 648.353, 'C', 'tt06_5686_2', 4021, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16017, 'Briaexcavatin E', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003]([CH3:12005])[CH3:12004])[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)[C@@H](OC(=O)CC(C)C)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:40]14[C@@H:33]([CH3:11])[C@@H:69](O[C:171](=O)[CH2:44][CH:26]([CH3:23])[CH3:23])[CH2:27][C@H:81](O[C:170]([CH3:21])=O)[C@:44]1([CH3:18])[C@@H:81](O[C:173]([CH3:23])=O)[C@@H:74](O[C:171]([CH3:23])=O)[CH2:34][C:139]([CH3:23])=[CH:122][C@@H:74]2O[C:172](=O)[C@@:60]3([CH3:10])O[C@:69]23[C@H:66]4O[C:170]([CH3:22])=O', '47 50 H 18.09 -10.99 C:3002 20.83 -4.91 C:14002 15.03 -5.99 C:2002 16.90 -5.36 C:9002 17.36 -16.30 C:16 23.21 -9.47 C:12005 10.18 -10.23 C:12004 9.04 -12.37 C:20 16.24 -13.58 C:18 18.50 -15.38 C:15 17.36 -8.57 O 22.06 -6.98 O 13.79 -8.11 O 19.33 -5.36 O 15.32 -15.06 O 12.65 -10.15 O 21.48 -16.30 C:6 21.85 -11.55 C:12002 11.46 -12.29 C:4 21.03 -8.86 C:13 15.10 -10.15 O 19.67 -7.05 O 16.24 -8.11 O 18.09 -7.49 O 17.47 -13.88 O 13.88 -12.21 O 21.85 -13.88 O 20.88 -13.88 C:3001 20.83 -6.30 C:14001 15.03 -7.40 C:2001 18.09 -6.07 C:9001 16.71 -15.06 C:5 21.85 -10.02 C:12001 12.65 -11.55 C:19 21.03 -14.98 C:12003 10.22 -11.63 C:11 16.24 -12.21 C:7 21.03 -12.68 C:12 15.10 -11.55 C:3 19.67 -8.45 C:14 16.24 -9.47 C:2 18.32 -8.86 C:9 18.18 -12.68 C:17 19.67 -14.58 C:10 17.36 -11.55 C:1 17.36 -10.15 C:8 19.67 -13.19 45 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 7 36 1 8 36 1 37 9 -1 44 10 -1 46 11 -1 12 29 2 13 30 2 14 31 2 15 32 2 16 34 2 17 35 2 18 33 2 18 38 1 19 34 1 19 36 1 20 33 1 20 40 1 21 39 1 21 41 1 22 29 1 40 22 -1 23 30 1 41 23 -2 24 31 1 42 24 -1 25 32 1 43 25 -1 26 34 1 39 26 -1 27 35 1 38 27 -2 28 44 1 47 28 -2 35 44 1 37 39 1 37 45 1 38 47 1 40 42 1 41 46 1 42 46 1 43 45 1 43 47 1 44 47 1 45 46 1', '47 50 H 18.09 -10.99 C 20.83 -4.91 C 15.03 -5.99 C 16.90 -5.36 C 17.36 -16.30 C 23.21 -9.47 C 10.18 -10.23 C 9.04 -12.37 C 16.24 -13.58 C 18.50 -15.38 C 17.36 -8.57 O 22.06 -6.98 O 13.79 -8.11 O 19.33 -5.36 O 15.32 -15.06 O 12.65 -10.15 O 21.48 -16.30 C 21.85 -11.55 C 11.46 -12.29 C 21.03 -8.86 C 15.10 -10.15 O 19.67 -7.05 O 16.24 -8.11 O 18.09 -7.49 O 17.47 -13.88 O 13.88 -12.21 O 21.85 -13.88 O 20.88 -13.88 C 20.83 -6.30 C 15.03 -7.40 C 18.09 -6.07 C 16.71 -15.06 C 21.85 -10.02 C 12.65 -11.55 C 21.03 -14.98 C 10.22 -11.63 C 16.24 -12.21 C 21.03 -12.68 C 15.10 -11.55 C 19.67 -8.45 C 16.24 -9.47 C 18.32 -8.86 C 18.18 -12.68 C 19.67 -14.58 C 17.36 -11.55 C 17.36 -10.15 C 19.67 -13.19 45 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 7 36 1 8 36 1 37 9 -1 44 10 -1 46 11 -1 12 29 2 13 30 2 14 31 2 15 32 2 16 34 2 17 35 2 18 33 2 18 38 1 19 34 1 19 36 1 20 33 1 20 40 1 21 39 1 21 41 1 22 29 1 40 22 -1 23 30 1 41 23 -2 24 31 1 42 24 -1 25 32 1 43 25 -1 26 34 1 39 26 -1 27 35 1 38 27 -2 28 44 1 47 28 -2 35 44 1 37 39 1 37 45 1 38 47 1 40 42 1 41 46 1 42 46 1 43 45 1 43 47 1 44 47 1 45 46 1', '47 50 H 18.09 -10.99 C:23 20.83 -4.91 C:21 15.03 -5.99 C:23 16.90 -5.36 C:22 17.36 -16.30 C:23 23.21 -9.47 C:23 10.18 -10.23 C:23 9.04 -12.37 C:11 16.24 -13.58 C:10 18.50 -15.38 C:18 17.36 -8.57 O 22.06 -6.98 O 13.79 -8.11 O 19.33 -5.36 O 15.32 -15.06 O 12.65 -10.15 O 21.48 -16.30 C:122 21.85 -11.55 C:44 11.46 -12.29 C:34 21.03 -8.86 C:27 15.10 -10.15 O 19.67 -7.05 O 16.24 -8.11 O 18.09 -7.49 O 17.47 -13.88 O 13.88 -12.21 O 21.85 -13.88 O 20.88 -13.88 C:171 20.83 -6.30 C:170 15.03 -7.40 C:173 18.09 -6.07 C:170 16.71 -15.06 C:139 21.85 -10.02 C:171 12.65 -11.55 C:172 21.03 -14.98 C:26 10.22 -11.63 C:33 16.24 -12.21 C:74 21.03 -12.68 C:69 15.10 -11.55 C:74 19.67 -8.45 C:81 16.24 -9.47 C:81 18.32 -8.86 C:66 18.18 -12.68 C:60 19.67 -14.58 C:40 17.36 -11.55 C:44 17.36 -10.15 C:69 19.67 -13.19 45 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 7 36 1 8 36 1 37 9 -1 44 10 -1 46 11 -1 12 29 2 13 30 2 14 31 2 15 32 2 16 34 2 17 35 2 18 33 2 18 38 1 19 34 1 19 36 1 20 33 1 20 40 1 21 39 1 21 41 1 22 29 1 40 22 -1 23 30 1 41 23 -2 24 31 1 42 24 -1 25 32 1 43 25 -1 26 34 1 39 26 -1 27 35 1 38 27 -2 28 44 1 47 28 -2 35 44 1 37 39 1 37 45 1 38 47 1 40 42 1 41 46 1 42 46 1 43 45 1 43 47 1 44 47 1 45 46 1', 'C33H46O13', 650.353, 'C', 'tt06_5686_3', 4021, '', 'Briareum excavatum, to inhibit\nneutrophil elastase release', '1', 45, NULL, NULL),
(16018, 'Briaexcavatin F', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH:12004]=[CH2:12005])[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH3:3004])[CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)[C@@H](OC(=O)CCC=C)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CCC)CC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:40]14[C@@H:32]([CH3:10])[C@@H:69](O[C:172](=O)[CH2:33][CH2:29][CH:136]=[CH2:116])[CH2:27][C@H:80](O[C:171]([CH3:22])=O)[C@:44]1([CH3:18])[C@@H:81](O[C:171]([CH3:22])=O)[C@@H:73](O[C:172](=O)[CH2:36][CH2:18][CH3:14])[CH2:34][C:139]([CH3:22])=[CH:122][C@@H:74]2O[C:172](=O)[C@@:60]3([CH3:10])O[C@:69]23[C@H:66]4O[C:169]([CH3:22])=O', '49 52 H 18.71 -12.00 C:12005 8.42 -12.72 C:3004 22.67 -3.82 C:14002 15.65 -7.00 C:2002 17.52 -6.37 C:9002 17.98 -17.31 C:16 23.83 -10.48 C:20 16.86 -14.59 C:18 19.12 -16.39 C:15 17.98 -9.58 O 14.41 -9.12 O 19.95 -6.37 O 15.94 -16.07 O 22.67 -7.99 O 13.27 -11.16 O 22.10 -17.31 C:12004 9.66 -13.38 C:6 22.47 -12.56 C:3003 22.67 -5.22 C:12003 10.84 -12.64 C:3002 21.45 -5.92 C:12002 12.08 -13.30 C:4 21.65 -9.87 C:13 15.72 -11.16 O 16.86 -9.12 O 14.50 -13.22 O 20.29 -8.06 O 18.71 -8.50 O 22.47 -14.89 O 18.09 -14.89 O 21.50 -14.89 C:14001 15.65 -8.41 C:2001 18.71 -7.08 C:9001 17.33 -16.07 C:5 22.47 -11.03 C:3001 21.45 -7.31 C:12001 13.27 -12.56 C:19 21.65 -15.99 C:11 16.86 -13.22 C:12 15.72 -12.56 C:3 20.29 -9.46 C:7 21.65 -13.69 C:14 16.86 -10.48 C:2 18.94 -9.87 C:9 18.80 -13.69 C:10 17.98 -12.56 C:17 20.29 -15.59 C:1 17.98 -11.16 C:8 20.29 -14.20 46 1 -2 2 17 2 3 19 1 4 32 1 5 33 1 6 34 1 7 35 1 39 8 -1 47 9 -1 48 10 -1 11 32 2 12 33 2 13 34 2 14 36 2 15 37 2 16 38 2 17 20 1 18 35 2 18 42 1 19 21 1 20 22 1 21 36 1 22 37 1 23 35 1 23 41 1 24 40 1 24 43 1 25 32 1 43 25 -2 26 37 1 40 26 -1 27 36 1 41 27 -1 28 33 1 44 28 -1 29 38 1 42 29 -2 30 34 1 45 30 -1 31 47 1 49 31 -2 38 47 1 39 40 1 39 46 1 41 44 1 42 49 1 43 48 1 44 48 1 45 46 1 45 49 1 46 48 1 47 49 1', '49 52 H 18.71 -12.00 C 8.42 -12.72 C 22.67 -3.82 C 15.65 -7.00 C 17.52 -6.37 C 17.98 -17.31 C 23.83 -10.48 C 16.86 -14.59 C 19.12 -16.39 C 17.98 -9.58 O 14.41 -9.12 O 19.95 -6.37 O 15.94 -16.07 O 22.67 -7.99 O 13.27 -11.16 O 22.10 -17.31 C 9.66 -13.38 C 22.47 -12.56 C 22.67 -5.22 C 10.84 -12.64 C 21.45 -5.92 C 12.08 -13.30 C 21.65 -9.87 C 15.72 -11.16 O 16.86 -9.12 O 14.50 -13.22 O 20.29 -8.06 O 18.71 -8.50 O 22.47 -14.89 O 18.09 -14.89 O 21.50 -14.89 C 15.65 -8.41 C 18.71 -7.08 C 17.33 -16.07 C 22.47 -11.03 C 21.45 -7.31 C 13.27 -12.56 C 21.65 -15.99 C 16.86 -13.22 C 15.72 -12.56 C 20.29 -9.46 C 21.65 -13.69 C 16.86 -10.48 C 18.94 -9.87 C 18.80 -13.69 C 17.98 -12.56 C 20.29 -15.59 C 17.98 -11.16 C 20.29 -14.20 46 1 -2 2 17 2 3 19 1 4 32 1 5 33 1 6 34 1 7 35 1 39 8 -1 47 9 -1 48 10 -1 11 32 2 12 33 2 13 34 2 14 36 2 15 37 2 16 38 2 17 20 1 18 35 2 18 42 1 19 21 1 20 22 1 21 36 1 22 37 1 23 35 1 23 41 1 24 40 1 24 43 1 25 32 1 43 25 -2 26 37 1 40 26 -1 27 36 1 41 27 -1 28 33 1 44 28 -1 29 38 1 42 29 -2 30 34 1 45 30 -1 31 47 1 49 31 -2 38 47 1 39 40 1 39 46 1 41 44 1 42 49 1 43 48 1 44 48 1 45 46 1 45 49 1 46 48 1 47 49 1', '49 52 H 18.71 -12.00 C:116 8.42 -12.72 C:14 22.67 -3.82 C:22 15.65 -7.00 C:22 17.52 -6.37 C:22 17.98 -17.31 C:22 23.83 -10.48 C:10 16.86 -14.59 C:10 19.12 -16.39 C:18 17.98 -9.58 O 14.41 -9.12 O 19.95 -6.37 O 15.94 -16.07 O 22.67 -7.99 O 13.27 -11.16 O 22.10 -17.31 C:136 9.66 -13.38 C:122 22.47 -12.56 C:18 22.67 -5.22 C:29 10.84 -12.64 C:36 21.45 -5.92 C:33 12.08 -13.30 C:34 21.65 -9.87 C:27 15.72 -11.16 O 16.86 -9.12 O 14.50 -13.22 O 20.29 -8.06 O 18.71 -8.50 O 22.47 -14.89 O 18.09 -14.89 O 21.50 -14.89 C:171 15.65 -8.41 C:171 18.71 -7.08 C:169 17.33 -16.07 C:139 22.47 -11.03 C:172 21.45 -7.31 C:172 13.27 -12.56 C:172 21.65 -15.99 C:32 16.86 -13.22 C:69 15.72 -12.56 C:73 20.29 -9.46 C:74 21.65 -13.69 C:80 16.86 -10.48 C:81 18.94 -9.87 C:66 18.80 -13.69 C:40 17.98 -12.56 C:60 20.29 -15.59 C:44 17.98 -11.16 C:69 20.29 -14.20 46 1 -2 2 17 2 3 19 1 4 32 1 5 33 1 6 34 1 7 35 1 39 8 -1 47 9 -1 48 10 -1 11 32 2 12 33 2 13 34 2 14 36 2 15 37 2 16 38 2 17 20 1 18 35 2 18 42 1 19 21 1 20 22 1 21 36 1 22 37 1 23 35 1 23 41 1 24 40 1 24 43 1 25 32 1 43 25 -2 26 37 1 40 26 -1 27 36 1 41 27 -1 28 33 1 44 28 -1 29 38 1 42 29 -2 30 34 1 45 30 -1 31 47 1 49 31 -2 38 47 1 39 40 1 39 46 1 41 44 1 42 49 1 43 48 1 44 48 1 45 46 1 45 49 1 46 48 1 47 49 1', 'C35H48O13', 676.375, 'C', 'tt06_5686_4', 4021, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16019, 'Briaexcavatolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C:12](=O)[CH:13]=[CH:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)C(=O)C=C[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:39]14[C@@H:41]([CH3:14])[C:201](=O)[CH:126]=[CH:155][C@:43]1([CH3:17])[C@@H:82](O[C:169]([CH3:21])=O)[C@@H:72](O[C:170]([CH3:22])=O)[CH2:33][C:139]([CH3:22])=[CH:123][C@@H:74]2O[C:171](=O)[C@@:60]3([CH3:10])O[C@:69]23[C@H:67]4O[C:170]([CH3:23])=O', '37 40 H 15.69 -10.95 C:3002 18.43 -4.86 C:2002 14.51 -5.31 C:9002 14.97 -16.26 C:16 20.81 -9.43 C:20 13.85 -13.54 C:15 14.97 -8.53 C:18 16.10 -15.34 O 19.65 -6.93 O 16.93 -5.31 O 12.93 -15.02 O 11.49 -12.17 O 19.08 -16.26 C:13 12.71 -10.11 C:14 13.85 -9.43 C:6 19.45 -11.51 C:4 18.63 -8.82 O 17.27 -7.00 O 15.69 -7.44 O 15.08 -13.84 O 19.45 -13.84 O 18.48 -13.84 C:3001 18.43 -6.25 C:2001 15.69 -6.02 C:9001 14.32 -15.02 C:5 19.45 -9.98 C:12 12.71 -11.51 C:19 18.63 -14.94 C:11 13.85 -12.17 C:7 18.63 -12.64 C:3 17.27 -8.40 C:2 15.92 -8.82 C:9 15.78 -12.64 C:1 14.97 -10.11 C:17 17.27 -14.54 C:10 14.97 -11.51 C:8 17.27 -13.15 36 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 29 6 -1 34 7 -1 35 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 13 28 2 14 15 2 14 27 1 15 34 1 16 26 2 16 30 1 17 26 1 17 31 1 18 23 1 31 18 -1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 28 1 30 21 -2 22 35 1 37 22 -2 27 29 1 28 35 1 29 36 1 30 37 1 31 32 1 32 34 1 33 36 1 33 37 1 34 36 1 35 37 1', '37 40 H 15.69 -10.95 C 18.43 -4.86 C 14.51 -5.31 C 14.97 -16.26 C 20.81 -9.43 C 13.85 -13.54 C 14.97 -8.53 C 16.10 -15.34 O 19.65 -6.93 O 16.93 -5.31 O 12.93 -15.02 O 11.49 -12.17 O 19.08 -16.26 C 12.71 -10.11 C 13.85 -9.43 C 19.45 -11.51 C 18.63 -8.82 O 17.27 -7.00 O 15.69 -7.44 O 15.08 -13.84 O 19.45 -13.84 O 18.48 -13.84 C 18.43 -6.25 C 15.69 -6.02 C 14.32 -15.02 C 19.45 -9.98 C 12.71 -11.51 C 18.63 -14.94 C 13.85 -12.17 C 18.63 -12.64 C 17.27 -8.40 C 15.92 -8.82 C 15.78 -12.64 C 14.97 -10.11 C 17.27 -14.54 C 14.97 -11.51 C 17.27 -13.15 36 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 29 6 -1 34 7 -1 35 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 13 28 2 14 15 2 14 27 1 15 34 1 16 26 2 16 30 1 17 26 1 17 31 1 18 23 1 31 18 -1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 28 1 30 21 -2 22 35 1 37 22 -2 27 29 1 28 35 1 29 36 1 30 37 1 31 32 1 32 34 1 33 36 1 33 37 1 34 36 1 35 37 1', '37 40 H 15.69 -10.95 C:22 18.43 -4.86 C:21 14.51 -5.31 C:23 14.97 -16.26 C:22 20.81 -9.43 C:14 13.85 -13.54 C:17 14.97 -8.53 C:10 16.10 -15.34 O 19.65 -6.93 O 16.93 -5.31 O 12.93 -15.02 O 11.49 -12.17 O 19.08 -16.26 C:126 12.71 -10.11 C:155 13.85 -9.43 C:123 19.45 -11.51 C:33 18.63 -8.82 O 17.27 -7.00 O 15.69 -7.44 O 15.08 -13.84 O 19.45 -13.84 O 18.48 -13.84 C:170 18.43 -6.25 C:169 15.69 -6.02 C:170 14.32 -15.02 C:139 19.45 -9.98 C:201 12.71 -11.51 C:171 18.63 -14.94 C:41 13.85 -12.17 C:74 18.63 -12.64 C:72 17.27 -8.40 C:82 15.92 -8.82 C:67 15.78 -12.64 C:43 14.97 -10.11 C:60 17.27 -14.54 C:39 14.97 -11.51 C:69 17.27 -13.15 36 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 29 6 -1 34 7 -1 35 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 13 28 2 14 15 2 14 27 1 15 34 1 16 26 2 16 30 1 17 26 1 17 31 1 18 23 1 31 18 -1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 28 1 30 21 -2 22 35 1 37 22 -2 27 29 1 28 35 1 29 36 1 30 37 1 31 32 1 32 34 1 33 36 1 33 37 1 34 36 1 35 37 1', 'C26H32O10', 504.28, 'C', 'tt99_14555_1', 4022, '', 'Briareum excavatum, citotÛxico', '1', 45, NULL, NULL),
(16020, 'Briaexcavatolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](OC(=O)CCC)[C@]4(C)O', '[H][C@@:43]34[C@H:69](O[C:172]([CH3:22])=O)[C@:71]12O[C@:63]1([CH3:10])[C:170](=O)O[C@H:75]2[CH:120]=[C:146]([CH3:21])[CH2:26][CH2:32][C@H:80](O[C:169]([CH3:21])=O)[C@@:46]3([CH3:20])[CH:142]=[CH:121][C@@H:74](O[C:173](=O)[CH2:37][CH2:19][CH3:14])[C@:73]4([CH3:28])O', '39 42 H 18.09 -10.81 C:12004 9.03 -12.07 C:2002 19.20 -5.06 C:9002 17.36 -16.12 C:16 23.19 -9.29 C:20 16.23 -13.40 C:15 17.36 -8.39 C:18 18.49 -15.20 O 20.51 -6.98 O 15.30 -14.88 O 12.66 -9.93 O 21.45 -16.12 O 15.01 -12.69 C:13 15.08 -9.93 C:14 16.23 -9.29 C:6 21.82 -11.35 C:12003 10.23 -11.35 C:12002 11.45 -12.07 C:4 21.00 -8.68 C:3 19.65 -8.27 O 18.09 -7.31 O 17.47 -13.70 O 13.88 -12.07 O 21.82 -13.70 O 20.85 -13.70 C:2001 19.23 -6.46 C:9001 16.71 -14.88 C:5 21.82 -9.84 C:12001 12.66 -11.35 C:19 21.00 -14.80 C:12 15.08 -11.35 C:7 21.00 -12.50 C:2 18.31 -8.68 C:9 18.18 -12.50 C:11 16.23 -11.99 C:1 17.36 -9.93 C:17 19.65 -14.39 C:10 17.36 -11.35 C:8 19.65 -13.01 38 1 -2 2 17 1 3 26 1 4 27 1 5 28 1 35 6 -2 36 7 -1 37 8 -1 9 26 2 10 27 2 11 29 2 12 30 2 35 13 -1 14 15 2 14 31 1 15 36 1 16 28 2 16 32 1 17 18 1 18 29 1 19 20 1 19 28 1 20 33 1 21 26 1 33 21 -1 22 27 1 34 22 -1 23 29 1 31 23 -2 24 30 1 32 24 -2 25 37 1 39 25 -2 30 37 1 31 35 1 32 39 1 33 36 1 34 38 1 34 39 1 35 38 1 36 38 1 37 39 1', '39 42 H 18.09 -10.81 C 9.03 -12.07 C 19.20 -5.06 C 17.36 -16.12 C 23.19 -9.29 C 16.23 -13.40 C 17.36 -8.39 C 18.49 -15.20 O 20.51 -6.98 O 15.30 -14.88 O 12.66 -9.93 O 21.45 -16.12 O 15.01 -12.69 C 15.08 -9.93 C 16.23 -9.29 C 21.82 -11.35 C 10.23 -11.35 C 11.45 -12.07 C 21.00 -8.68 C 19.65 -8.27 O 18.09 -7.31 O 17.47 -13.70 O 13.88 -12.07 O 21.82 -13.70 O 20.85 -13.70 C 19.23 -6.46 C 16.71 -14.88 C 21.82 -9.84 C 12.66 -11.35 C 21.00 -14.80 C 15.08 -11.35 C 21.00 -12.50 C 18.31 -8.68 C 18.18 -12.50 C 16.23 -11.99 C 17.36 -9.93 C 19.65 -14.39 C 17.36 -11.35 C 19.65 -13.01 38 1 -2 2 17 1 3 26 1 4 27 1 5 28 1 35 6 -2 36 7 -1 37 8 -1 9 26 2 10 27 2 11 29 2 12 30 2 35 13 -1 14 15 2 14 31 1 15 36 1 16 28 2 16 32 1 17 18 1 18 29 1 19 20 1 19 28 1 20 33 1 21 26 1 33 21 -1 22 27 1 34 22 -1 23 29 1 31 23 -2 24 30 1 32 24 -2 25 37 1 39 25 -2 30 37 1 31 35 1 32 39 1 33 36 1 34 38 1 34 39 1 35 38 1 36 38 1 37 39 1', '39 42 H 18.09 -10.81 C:14 9.03 -12.07 C:21 19.20 -5.06 C:22 17.36 -16.12 C:21 23.19 -9.29 C:28 16.23 -13.40 C:20 17.36 -8.39 C:10 18.49 -15.20 O 20.51 -6.98 O 15.30 -14.88 O 12.66 -9.93 O 21.45 -16.12 O 15.01 -12.69 C:121 15.08 -9.93 C:142 16.23 -9.29 C:120 21.82 -11.35 C:19 10.23 -11.35 C:37 11.45 -12.07 C:26 21.00 -8.68 C:32 19.65 -8.27 O 18.09 -7.31 O 17.47 -13.70 O 13.88 -12.07 O 21.82 -13.70 O 20.85 -13.70 C:169 19.23 -6.46 C:172 16.71 -14.88 C:146 21.82 -9.84 C:173 12.66 -11.35 C:170 21.00 -14.80 C:74 15.08 -11.35 C:75 21.00 -12.50 C:80 18.31 -8.68 C:69 18.18 -12.50 C:73 16.23 -11.99 C:46 17.36 -9.93 C:63 19.65 -14.39 C:43 17.36 -11.35 C:71 19.65 -13.01 38 1 -2 2 17 1 3 26 1 4 27 1 5 28 1 35 6 -2 36 7 -1 37 8 -1 9 26 2 10 27 2 11 29 2 12 30 2 35 13 -1 14 15 2 14 31 1 15 36 1 16 28 2 16 32 1 17 18 1 18 29 1 19 20 1 19 28 1 20 33 1 21 26 1 33 21 -1 22 27 1 34 22 -1 23 29 1 31 23 -2 24 30 1 32 24 -2 25 37 1 39 25 -2 30 37 1 31 35 1 32 39 1 33 36 1 34 38 1 34 39 1 35 38 1 36 38 1 37 39 1', 'C28H38O10', 534.302, 'P', 'tt99_14555_2', 4022, '', 'Briareum excavatum, citotÛxico', '1', 45, NULL, NULL),
(16021, 'Briaexcavatolide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](OC(C)=O)[C@]4(C)O', '[H][C@@:43]34[C@H:69](O[C:170]([CH3:21])=O)[C@:71]12O[C@:63]1([CH3:11])[C:170](=O)O[C@H:75]2[CH:121]=[C:146]([CH3:21])[CH2:27][CH2:32][C@H:80](O[C:170]([CH3:21])=O)[C@@:47]3([CH3:20])[CH:142]=[CH:121][C@@H:75](O[C:172]([CH3:22])=O)[C@:73]4([CH3:28])O', '37 40 H 16.92 -10.81 C:12002 10.28 -12.07 C:2002 18.11 -5.06 C:9002 16.19 -16.12 C:16 22.01 -9.29 C:20 15.06 -13.40 C:15 16.19 -8.39 C:18 17.32 -15.20 O 11.49 -9.93 O 19.31 -7.09 O 14.13 -14.88 O 20.28 -16.12 O 13.84 -12.69 C:13 13.91 -9.93 C:14 15.06 -9.29 C:6 20.65 -11.35 C:4 19.83 -8.68 C:3 18.48 -8.27 O 12.71 -12.07 O 16.92 -7.31 O 20.65 -13.70 O 16.30 -13.70 O 19.68 -13.70 C:12001 11.49 -11.35 C:2001 18.06 -6.46 C:9001 15.54 -14.88 C:5 20.65 -9.84 C:19 19.83 -14.80 C:12 13.91 -11.35 C:7 19.83 -12.50 C:2 17.14 -8.68 C:9 17.01 -12.50 C:11 15.06 -11.99 C:1 16.19 -9.93 C:17 18.48 -14.39 C:10 16.19 -11.35 C:8 18.48 -13.01 36 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -2 34 7 -1 35 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 33 13 -1 14 15 2 14 29 1 15 34 1 16 27 2 16 30 1 17 18 1 17 27 1 18 31 1 19 24 1 29 19 -2 20 25 1 31 20 -1 21 28 1 30 21 -2 22 26 1 32 22 -1 23 35 1 37 23 -2 28 35 1 29 33 1 30 37 1 31 34 1 32 36 1 32 37 1 33 36 1 34 36 1 35 37 1', '37 40 H 16.92 -10.81 C 10.28 -12.07 C 18.11 -5.06 C 16.19 -16.12 C 22.01 -9.29 C 15.06 -13.40 C 16.19 -8.39 C 17.32 -15.20 O 11.49 -9.93 O 19.31 -7.09 O 14.13 -14.88 O 20.28 -16.12 O 13.84 -12.69 C 13.91 -9.93 C 15.06 -9.29 C 20.65 -11.35 C 19.83 -8.68 C 18.48 -8.27 O 12.71 -12.07 O 16.92 -7.31 O 20.65 -13.70 O 16.30 -13.70 O 19.68 -13.70 C 11.49 -11.35 C 18.06 -6.46 C 15.54 -14.88 C 20.65 -9.84 C 19.83 -14.80 C 13.91 -11.35 C 19.83 -12.50 C 17.14 -8.68 C 17.01 -12.50 C 15.06 -11.99 C 16.19 -9.93 C 18.48 -14.39 C 16.19 -11.35 C 18.48 -13.01 36 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -2 34 7 -1 35 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 33 13 -1 14 15 2 14 29 1 15 34 1 16 27 2 16 30 1 17 18 1 17 27 1 18 31 1 19 24 1 29 19 -2 20 25 1 31 20 -1 21 28 1 30 21 -2 22 26 1 32 22 -1 23 35 1 37 23 -2 28 35 1 29 33 1 30 37 1 31 34 1 32 36 1 32 37 1 33 36 1 34 36 1 35 37 1', '37 40 H 16.92 -10.81 C:22 10.28 -12.07 C:21 18.11 -5.06 C:21 16.19 -16.12 C:21 22.01 -9.29 C:28 15.06 -13.40 C:20 16.19 -8.39 C:11 17.32 -15.20 O 11.49 -9.93 O 19.31 -7.09 O 14.13 -14.88 O 20.28 -16.12 O 13.84 -12.69 C:121 13.91 -9.93 C:142 15.06 -9.29 C:121 20.65 -11.35 C:27 19.83 -8.68 C:32 18.48 -8.27 O 12.71 -12.07 O 16.92 -7.31 O 20.65 -13.70 O 16.30 -13.70 O 19.68 -13.70 C:172 11.49 -11.35 C:170 18.06 -6.46 C:170 15.54 -14.88 C:146 20.65 -9.84 C:170 19.83 -14.80 C:75 13.91 -11.35 C:75 19.83 -12.50 C:80 17.14 -8.68 C:69 17.01 -12.50 C:73 15.06 -11.99 C:47 16.19 -9.93 C:63 18.48 -14.39 C:43 16.19 -11.35 C:71 18.48 -13.01 36 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -2 34 7 -1 35 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 33 13 -1 14 15 2 14 29 1 15 34 1 16 27 2 16 30 1 17 18 1 17 27 1 18 31 1 19 24 1 29 19 -2 20 25 1 31 20 -1 21 28 1 30 21 -2 22 26 1 32 22 -1 23 35 1 37 23 -2 28 35 1 29 33 1 30 37 1 31 34 1 32 36 1 32 37 1 33 36 1 34 36 1 35 37 1', 'C26H34O10', 506.28, 'P', 'tt99_14555_3', 4022, '', 'Briareum excavatum, citotÛxico', '1', 45, NULL, NULL),
(16022, 'Briaexcavatolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C:12](=O)[CH:13]=[CH:14][C@:1]1([CH3:15])[C@@H:2](O)[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O', '[H][C@]14[C@@H](C)C(=O)C=C[C@]1(C)[C@@H](O)CCC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4O', '[H][C@:40]14[C@@H:42]([CH3:14])[C:202](=O)[CH:126]=[CH:157][C@:46]1([CH3:19])[C@@H:79](O)[CH2:27][CH2:25][C:145]([CH3:23])=[CH:122][C@@H:74]2O[C:173](=O)[C@@:60]3([CH3:10])O[C@:72]23[C@H:68]4O', '27 30 H 15.71 -9.66 C:16 20.81 -8.13 C:20 13.85 -12.25 C:15 14.98 -7.23 C:18 16.11 -14.06 O 11.49 -10.92 O 19.08 -14.98 O 15.71 -6.15 O 15.09 -12.55 C:13 12.70 -8.78 C:14 13.85 -8.13 C:6 19.45 -10.20 C:4 18.63 -7.52 C:3 17.28 -7.11 O 19.45 -12.55 O 18.48 -12.55 C:5 19.45 -8.69 C:12 12.70 -10.20 C:19 18.63 -13.66 C:11 13.85 -10.84 C:2 15.93 -7.52 C:7 18.63 -11.35 C:9 15.80 -11.35 C:1 14.98 -8.78 C:17 17.28 -13.25 C:10 14.98 -10.20 C:8 17.28 -11.86 26 1 -2 2 17 1 20 3 -1 24 4 -1 25 5 -1 6 18 2 7 19 2 21 8 -1 23 9 -1 10 11 2 10 18 1 11 24 1 12 17 2 12 22 1 13 14 1 13 17 1 14 21 1 15 19 1 22 15 -2 16 25 1 27 16 -2 18 20 1 19 25 1 20 26 1 21 24 1 22 27 1 23 26 1 23 27 1 24 26 1 25 27 1', '27 30 H 15.71 -9.66 C 20.81 -8.13 C 13.85 -12.25 C 14.98 -7.23 C 16.11 -14.06 O 11.49 -10.92 O 19.08 -14.98 O 15.71 -6.15 O 15.09 -12.55 C 12.70 -8.78 C 13.85 -8.13 C 19.45 -10.20 C 18.63 -7.52 C 17.28 -7.11 O 19.45 -12.55 O 18.48 -12.55 C 19.45 -8.69 C 12.70 -10.20 C 18.63 -13.66 C 13.85 -10.84 C 15.93 -7.52 C 18.63 -11.35 C 15.80 -11.35 C 14.98 -8.78 C 17.28 -13.25 C 14.98 -10.20 C 17.28 -11.86 26 1 -2 2 17 1 20 3 -1 24 4 -1 25 5 -1 6 18 2 7 19 2 21 8 -1 23 9 -1 10 11 2 10 18 1 11 24 1 12 17 2 12 22 1 13 14 1 13 17 1 14 21 1 15 19 1 22 15 -2 16 25 1 27 16 -2 18 20 1 19 25 1 20 26 1 21 24 1 22 27 1 23 26 1 23 27 1 24 26 1 25 27 1', '27 30 H 15.71 -9.66 C:23 20.81 -8.13 C:14 13.85 -12.25 C:19 14.98 -7.23 C:10 16.11 -14.06 O 11.49 -10.92 O 19.08 -14.98 O 15.71 -6.15 O 15.09 -12.55 C:126 12.70 -8.78 C:157 13.85 -8.13 C:122 19.45 -10.20 C:25 18.63 -7.52 C:27 17.28 -7.11 O 19.45 -12.55 O 18.48 -12.55 C:145 19.45 -8.69 C:202 12.70 -10.20 C:173 18.63 -13.66 C:42 13.85 -10.84 C:79 15.93 -7.52 C:74 18.63 -11.35 C:68 15.80 -11.35 C:46 14.98 -8.78 C:60 17.28 -13.25 C:40 14.98 -10.20 C:72 17.28 -11.86 26 1 -2 2 17 1 20 3 -1 24 4 -1 25 5 -1 6 18 2 7 19 2 21 8 -1 23 9 -1 10 11 2 10 18 1 11 24 1 12 17 2 12 22 1 13 14 1 13 17 1 14 21 1 15 19 1 22 15 -2 16 25 1 27 16 -2 18 20 1 19 25 1 20 26 1 21 24 1 22 27 1 23 26 1 23 27 1 24 26 1 25 27 1', 'C20H26O6', 362.218, 'A', 'tt99_14555_4', 4022, '', 'Briareum excavatum, citotÛxico', '1', 45, NULL, NULL),
(16023, 'Erytrolide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][C@H:3]2O[C@@H:2]2[C@@:1]3([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]4([CH3:20])O[C:11001]([CH3:11002])=O', '[H][C@@]34[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C[C@H]2O[C@@H]2[C@@]3(C)C=CC(=O)[C@@]4(C)OC(C)=O', '[H][C@@:41]34[C@H:79](O[C:169]([CH3:21])=O)[C@:80]1(O)[C@@H:46]([CH3:9])[C:175](=O)O[C@H:79]1[C@@H:68](Cl)[C:138](=[CH2:119])[CH2:37][C@H:54]2O[C@@H:62]2[C@@:41]3([CH3:16])[CH:154]=[CH:125][C:194](=O)[C@@:82]4([CH3:21])O[C:169]([CH3:21])=O', '35 38 H 16.35 -9.67 C:16 21.46 -8.20 C:9002 15.62 -15.01 C:11002 10.84 -11.53 C:18 16.76 -14.08 C:15 15.62 -7.26 C:20 14.48 -12.24 O 13.57 -13.76 O 12.01 -13.63 O 12.12 -10.89 O 19.73 -15.01 O 17.91 -10.48 Cl 21.40 -10.67 C:13 13.35 -8.84 C:14 14.48 -8.15 C:4 19.28 -7.54 O 15.73 -12.56 O 20.10 -12.56 O 16.88 -6.17 O 13.27 -11.53 C:9001 14.97 -13.76 C:11001 12.01 -12.24 C:5 20.10 -8.71 C:12 13.35 -10.19 C:19 19.28 -13.63 C:17 17.91 -13.28 C:6 20.10 -10.19 C:3 17.91 -7.14 C:7 19.28 -11.36 C:2 16.58 -7.54 C:9 16.44 -11.36 C:10 15.62 -10.19 C:1 15.62 -8.84 C:11 14.48 -10.89 C:8 17.91 -11.88 32 1 -2 2 23 2 3 21 1 4 22 1 26 5 -2 33 6 -1 34 7 -1 8 21 2 9 22 2 10 24 2 11 25 2 35 12 -2 27 13 -2 14 15 2 14 24 1 15 33 1 16 23 1 16 28 1 17 21 1 31 17 -1 18 25 1 29 18 -2 28 19 -2 30 19 -1 20 22 1 34 20 -2 23 27 1 24 34 1 25 26 1 26 35 1 27 29 1 28 30 1 29 35 1 30 33 1 31 32 1 31 35 1 32 33 1 32 34 1', '35 38 H 16.35 -9.67 C 21.46 -8.20 C 15.62 -15.01 C 10.84 -11.53 C 16.76 -14.08 C 15.62 -7.26 C 14.48 -12.24 O 13.57 -13.76 O 12.01 -13.63 O 12.12 -10.89 O 19.73 -15.01 O 17.91 -10.48 Cl 21.40 -10.67 C 13.35 -8.84 C 14.48 -8.15 C 19.28 -7.54 O 15.73 -12.56 O 20.10 -12.56 O 16.88 -6.17 O 13.27 -11.53 C 14.97 -13.76 C 12.01 -12.24 C 20.10 -8.71 C 13.35 -10.19 C 19.28 -13.63 C 17.91 -13.28 C 20.10 -10.19 C 17.91 -7.14 C 19.28 -11.36 C 16.58 -7.54 C 16.44 -11.36 C 15.62 -10.19 C 15.62 -8.84 C 14.48 -10.89 C 17.91 -11.88 32 1 -2 2 23 2 3 21 1 4 22 1 26 5 -2 33 6 -1 34 7 -1 8 21 2 9 22 2 10 24 2 11 25 2 35 12 -2 27 13 -2 14 15 2 14 24 1 15 33 1 16 23 1 16 28 1 17 21 1 31 17 -1 18 25 1 29 18 -2 28 19 -2 30 19 -1 20 22 1 34 20 -2 23 27 1 24 34 1 25 26 1 26 35 1 27 29 1 28 30 1 29 35 1 30 33 1 31 32 1 31 35 1 32 33 1 32 34 1', '35 38 H 16.35 -9.67 C:119 21.46 -8.20 C:21 15.62 -15.01 C:21 10.84 -11.53 C:9 16.76 -14.08 C:16 15.62 -7.26 C:21 14.48 -12.24 O 13.57 -13.76 O 12.01 -13.63 O 12.12 -10.89 O 19.73 -15.01 O 17.91 -10.48 Cl 21.40 -10.67 C:125 13.35 -8.84 C:154 14.48 -8.15 C:37 19.28 -7.54 O 15.73 -12.56 O 20.10 -12.56 O 16.88 -6.17 O 13.27 -11.53 C:169 14.97 -13.76 C:169 12.01 -12.24 C:138 20.10 -8.71 C:194 13.35 -10.19 C:175 19.28 -13.63 C:46 17.91 -13.28 C:68 20.10 -10.19 C:54 17.91 -7.14 C:79 19.28 -11.36 C:62 16.58 -7.54 C:79 16.44 -11.36 C:41 15.62 -10.19 C:41 15.62 -8.84 C:82 14.48 -10.89 C:80 17.91 -11.88 32 1 -2 2 23 2 3 21 1 4 22 1 26 5 -2 33 6 -1 34 7 -1 8 21 2 9 22 2 10 24 2 11 25 2 35 12 -2 27 13 -2 14 15 2 14 24 1 15 33 1 16 23 1 16 28 1 17 21 1 31 17 -1 18 25 1 29 18 -2 28 19 -2 30 19 -1 20 22 1 34 20 -2 23 27 1 24 34 1 25 26 1 26 35 1 27 29 1 28 30 1 29 35 1 30 33 1 31 32 1 31 35 1 32 33 1 32 34 1', 'C24H29ClO9', 496.712, 'C', 'jo91_2344_3', 4023, '', 'Erythropodlum carlbaeorum', '1', 45, NULL, NULL),
(16024, 'Erytrolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001](=O)[CH2:9002]O[C:9003]([CH3:9004])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][C@H:3]2O[C@@H:2]2[C@@:1]3([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]4([CH3:20])O[C:11001]([CH3:11002])=O', '[H][C@@]34[C@H](OC(=O)COC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C[C@H]2O[C@@H]2[C@@]3(C)C=CC(=O)[C@@]4(C)OC(C)=O', '[H][C@@:41]34[C@H:79](O[C:167](=O)[CH2:61]O[C:169]([CH3:21])=O)[C@:80]1(O)[C@@H:45]([CH3:9])[C:176](=O)O[C@H:79]1[C@@H:68](Cl)[C:138](=[CH2:119])[CH2:37][C@H:54]2O[C@@H:63]2[C@@:41]3([CH3:16])[CH:154]=[CH:124][C:195](=O)[C@@:82]4([CH3:21])O[C:170]([CH3:20])=O', '39 42 H 16.30 -7.90 C:16 21.43 -6.37 C:9004 14.78 -16.79 C:11002 10.79 -9.76 C:18 16.71 -12.30 C:15 15.58 -5.48 C:20 14.42 -10.46 O 16.90 -15.61 O 11.95 -11.86 O 13.53 -11.98 O 12.07 -9.11 O 19.69 -13.21 O 17.88 -8.71 Cl 21.37 -8.90 C:13 13.29 -7.06 C:14 14.42 -6.37 C:9002 15.58 -13.21 C:4 19.25 -5.77 O 14.85 -14.39 O 15.67 -10.79 O 20.07 -10.79 O 16.84 -4.39 O 13.21 -9.76 C:9003 15.51 -15.61 C:11001 11.95 -10.46 C:5 20.07 -6.94 C:9001 14.92 -11.98 C:12 13.29 -8.41 C:19 19.25 -11.86 C:17 17.88 -11.49 C:6 20.07 -8.41 C:3 17.88 -5.36 C:7 19.25 -9.58 C:2 16.53 -5.77 C:9 16.39 -9.58 C:10 15.58 -8.41 C:1 15.58 -7.06 C:11 14.42 -9.11 C:8 17.88 -10.11 36 1 -2 2 26 2 3 24 1 4 25 1 30 5 -2 37 6 -1 38 7 -1 8 24 2 9 25 2 10 27 2 11 28 2 12 29 2 39 13 -2 31 14 -2 15 16 2 15 28 1 16 37 1 17 19 1 17 27 1 18 26 1 18 32 1 19 24 1 20 27 1 35 20 -1 21 29 1 33 21 -2 32 22 -2 34 22 -1 23 25 1 38 23 -2 26 31 1 28 38 1 29 30 1 30 39 1 31 33 1 32 34 1 33 39 1 34 37 1 35 36 1 35 39 1 36 37 1 36 38 1', '39 42 H 16.30 -7.90 C 21.43 -6.37 C 14.78 -16.79 C 10.79 -9.76 C 16.71 -12.30 C 15.58 -5.48 C 14.42 -10.46 O 16.90 -15.61 O 11.95 -11.86 O 13.53 -11.98 O 12.07 -9.11 O 19.69 -13.21 O 17.88 -8.71 Cl 21.37 -8.90 C 13.29 -7.06 C 14.42 -6.37 C 15.58 -13.21 C 19.25 -5.77 O 14.85 -14.39 O 15.67 -10.79 O 20.07 -10.79 O 16.84 -4.39 O 13.21 -9.76 C 15.51 -15.61 C 11.95 -10.46 C 20.07 -6.94 C 14.92 -11.98 C 13.29 -8.41 C 19.25 -11.86 C 17.88 -11.49 C 20.07 -8.41 C 17.88 -5.36 C 19.25 -9.58 C 16.53 -5.77 C 16.39 -9.58 C 15.58 -8.41 C 15.58 -7.06 C 14.42 -9.11 C 17.88 -10.11 36 1 -2 2 26 2 3 24 1 4 25 1 30 5 -2 37 6 -1 38 7 -1 8 24 2 9 25 2 10 27 2 11 28 2 12 29 2 39 13 -2 31 14 -2 15 16 2 15 28 1 16 37 1 17 19 1 17 27 1 18 26 1 18 32 1 19 24 1 20 27 1 35 20 -1 21 29 1 33 21 -2 32 22 -2 34 22 -1 23 25 1 38 23 -2 26 31 1 28 38 1 29 30 1 30 39 1 31 33 1 32 34 1 33 39 1 34 37 1 35 36 1 35 39 1 36 37 1 36 38 1', '39 42 H 16.30 -7.90 C:119 21.43 -6.37 C:21 14.78 -16.79 C:20 10.79 -9.76 C:9 16.71 -12.30 C:16 15.58 -5.48 C:21 14.42 -10.46 O 16.90 -15.61 O 11.95 -11.86 O 13.53 -11.98 O 12.07 -9.11 O 19.69 -13.21 O 17.88 -8.71 Cl 21.37 -8.90 C:124 13.29 -7.06 C:154 14.42 -6.37 C:61 15.58 -13.21 C:37 19.25 -5.77 O 14.85 -14.39 O 15.67 -10.79 O 20.07 -10.79 O 16.84 -4.39 O 13.21 -9.76 C:169 15.51 -15.61 C:170 11.95 -10.46 C:138 20.07 -6.94 C:167 14.92 -11.98 C:195 13.29 -8.41 C:176 19.25 -11.86 C:45 17.88 -11.49 C:68 20.07 -8.41 C:54 17.88 -5.36 C:79 19.25 -9.58 C:63 16.53 -5.77 C:79 16.39 -9.58 C:41 15.58 -8.41 C:41 15.58 -7.06 C:82 14.42 -9.11 C:80 17.88 -10.11 36 1 -2 2 26 2 3 24 1 4 25 1 30 5 -2 37 6 -1 38 7 -1 8 24 2 9 25 2 10 27 2 11 28 2 12 29 2 39 13 -2 31 14 -2 15 16 2 15 28 1 16 37 1 17 19 1 17 27 1 18 26 1 18 32 1 19 24 1 20 27 1 35 20 -1 21 29 1 33 21 -2 32 22 -2 34 22 -1 23 25 1 38 23 -2 26 31 1 28 38 1 29 30 1 30 39 1 31 33 1 32 34 1 33 39 1 34 37 1 35 36 1 35 39 1 36 37 1 36 38 1', 'C26H31ClO11', 554.732, 'C', 'jo91_2344_4', 4023, '', 'Erythropodlum carlbaeorum', '1', 45, 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
(16025, 'Erytrolide H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O)[CH2:4][C@H:3]2O[C@@H:2]2[C@@:1]3([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]4([CH3:20])O[C:11001]([CH3:11002])=O', '[H][C@@]34[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(CO)C[C@H]2O[C@@H]2[C@@]3(C)C=CC(=O)[C@@]4(C)OC(C)=O', '[H][C@@:41]34[C@H:79](O[C:171]([CH3:22])=O)[C@:82]1(O)[C@@H:44]([CH3:7])[C:176](=O)O[C@H:69]1[CH:118]=[C:148]([CH2:67]O)[CH2:29][C@H:58]2O[C@@H:64]2[C@@:41]3([CH3:14])[CH:154]=[CH:124][C:195](=O)[C@@:82]4([CH3:22])O[C:169]([CH3:21])=O', '35 38 H 15.81 -9.68 C:9002 15.08 -15.03 C:11002 10.29 -11.54 C:18 16.22 -14.10 C:15 15.08 -7.27 C:20 13.94 -12.24 O 13.03 -13.78 O 11.46 -13.65 O 11.58 -10.90 O 19.19 -15.03 O 21.95 -9.12 O 17.38 -10.49 C:13 12.82 -8.85 C:14 13.94 -8.16 C:6 19.56 -10.20 C:16 20.88 -8.24 C:4 18.74 -7.55 O 15.19 -12.58 O 19.56 -12.58 O 16.35 -6.18 O 12.74 -11.54 C:9001 14.44 -13.78 C:11001 11.46 -12.24 C:12 12.82 -10.20 C:5 19.56 -8.72 C:19 18.74 -13.65 C:17 17.38 -13.29 C:3 17.38 -7.15 C:7 18.74 -11.36 C:2 16.04 -7.55 C:9 15.90 -11.36 C:1 15.08 -8.85 C:11 13.94 -10.90 C:10 15.08 -10.20 C:8 17.38 -11.89 34 1 -2 2 22 1 3 23 1 27 4 -2 32 5 -1 33 6 -1 7 22 2 8 23 2 9 24 2 10 26 2 11 16 1 35 12 -2 13 14 2 13 24 1 14 32 1 15 25 2 15 29 1 16 25 1 17 25 1 17 28 1 18 22 1 31 18 -1 19 26 1 29 19 -2 28 20 -2 30 20 -1 21 23 1 33 21 -2 24 33 1 26 27 1 27 35 1 28 30 1 29 35 1 30 32 1 31 34 1 31 35 1 32 34 1 33 34 1', '35 38 H 15.81 -9.68 C 15.08 -15.03 C 10.29 -11.54 C 16.22 -14.10 C 15.08 -7.27 C 13.94 -12.24 O 13.03 -13.78 O 11.46 -13.65 O 11.58 -10.90 O 19.19 -15.03 O 21.95 -9.12 O 17.38 -10.49 C 12.82 -8.85 C 13.94 -8.16 C 19.56 -10.20 C 20.88 -8.24 C 18.74 -7.55 O 15.19 -12.58 O 19.56 -12.58 O 16.35 -6.18 O 12.74 -11.54 C 14.44 -13.78 C 11.46 -12.24 C 12.82 -10.20 C 19.56 -8.72 C 18.74 -13.65 C 17.38 -13.29 C 17.38 -7.15 C 18.74 -11.36 C 16.04 -7.55 C 15.90 -11.36 C 15.08 -8.85 C 13.94 -10.90 C 15.08 -10.20 C 17.38 -11.89 34 1 -2 2 22 1 3 23 1 27 4 -2 32 5 -1 33 6 -1 7 22 2 8 23 2 9 24 2 10 26 2 11 16 1 35 12 -2 13 14 2 13 24 1 14 32 1 15 25 2 15 29 1 16 25 1 17 25 1 17 28 1 18 22 1 31 18 -1 19 26 1 29 19 -2 28 20 -2 30 20 -1 21 23 1 33 21 -2 24 33 1 26 27 1 27 35 1 28 30 1 29 35 1 30 32 1 31 34 1 31 35 1 32 34 1 33 34 1', '35 38 H 15.81 -9.68 C:22 15.08 -15.03 C:21 10.29 -11.54 C:7 16.22 -14.10 C:14 15.08 -7.27 C:22 13.94 -12.24 O 13.03 -13.78 O 11.46 -13.65 O 11.58 -10.90 O 19.19 -15.03 O 21.95 -9.12 O 17.38 -10.49 C:124 12.82 -8.85 C:154 13.94 -8.16 C:118 19.56 -10.20 C:67 20.88 -8.24 C:29 18.74 -7.55 O 15.19 -12.58 O 19.56 -12.58 O 16.35 -6.18 O 12.74 -11.54 C:171 14.44 -13.78 C:169 11.46 -12.24 C:195 12.82 -10.20 C:148 19.56 -8.72 C:176 18.74 -13.65 C:44 17.38 -13.29 C:58 17.38 -7.15 C:69 18.74 -11.36 C:64 16.04 -7.55 C:79 15.90 -11.36 C:41 15.08 -8.85 C:82 13.94 -10.90 C:41 15.08 -10.20 C:82 17.38 -11.89 34 1 -2 2 22 1 3 23 1 27 4 -2 32 5 -1 33 6 -1 7 22 2 8 23 2 9 24 2 10 26 2 11 16 1 35 12 -2 13 14 2 13 24 1 14 32 1 15 25 2 15 29 1 16 25 1 17 25 1 17 28 1 18 22 1 31 18 -1 19 26 1 29 19 -2 28 20 -2 30 20 -1 21 23 1 33 21 -2 24 33 1 26 27 1 27 35 1 28 30 1 29 35 1 30 32 1 31 34 1 31 35 1 32 34 1 33 34 1', 'C24H30O10', 478.259, 'C', 'jo91_2344_5', 4023, '', 'Erythropodlum carlbaeorum', '1', 45, NULL, NULL),
(16026, 'Erytrolide F', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001](=O)[CH2:9002]O[C:9003]([CH3:9004])=O)[C@@:8]12O[C@H:2]([C@H:3](O)[CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]1O[C:19](=O)[C@@H:17]2[CH3:18])[C@@:1]3([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]4([CH3:20])O[C:11001]([CH3:11002])=O', '[H][C@@]34[C@H](OC(=O)COC(C)=O)[C@@]12O[C@H]([C@H](O)CC(=C)[C@H](Cl)[C@@H]1OC(=O)[C@@H]2C)[C@@]3(C)C=CC(=O)[C@@]4(C)OC(C)=O', '[H][C@@:42]34[C@H:70](O[C:168](=O)[CH2:61]O[C:170]([CH3:21])=O)[C@@:83]12O[C@H:86]([C@H:70](O)[CH2:41][C:138](=[CH2:123])[C@H:59](Cl)[C@@H:86]1O[C:174](=O)[C@@H:49]2[CH3:7])[C@@:36]3([CH3:21])[CH:152]=[CH:125][C:194](=O)[C@@:81]4([CH3:22])O[C:170]([CH3:20])=O', '39 42 H 16.37 -8.61 C:16 21.25 -7.13 C:9004 12.35 -16.45 C:11002 12.16 -12.45 C:18 16.75 -12.77 C:15 15.70 -6.28 C:20 14.59 -11.00 O 14.76 -16.45 O 10.96 -10.33 O 13.56 -11.56 O 12.35 -9.79 O 19.58 -13.67 O 17.79 -4.77 Cl 21.25 -9.54 C:13 13.56 -7.80 C:14 14.59 -7.13 C:9002 14.76 -13.67 C:4 19.15 -6.55 O 13.56 -14.36 O 16.03 -11.65 O 19.93 -11.34 O 13.40 -10.40 O 17.85 -8.67 C:9003 13.56 -15.76 C:11001 12.16 -11.05 C:5 19.93 -7.66 C:9001 14.76 -12.29 C:12 13.56 -9.07 C:19 19.15 -12.40 C:17 17.85 -12.02 C:3 17.85 -6.17 C:6 19.93 -9.07 C:7 19.15 -10.20 C:2 16.58 -6.55 C:9 16.46 -10.20 C:10 15.70 -9.07 C:1 15.70 -7.80 C:11 14.59 -9.71 C:8 17.85 -10.69 36 1 -2 2 26 2 3 24 1 4 25 1 30 5 -2 37 6 -1 38 7 -1 8 24 2 9 25 2 10 27 2 11 28 2 12 29 2 31 13 -2 32 14 -2 15 16 2 15 28 1 16 37 1 17 19 1 17 27 1 18 26 1 18 31 1 19 24 1 20 27 1 35 20 -1 21 29 1 33 21 -2 22 25 1 38 22 -2 34 23 -1 39 23 -2 26 32 1 28 38 1 29 30 1 30 39 1 31 34 1 32 33 1 33 39 1 34 37 1 35 36 1 35 39 1 36 37 1 36 38 1', '39 42 H 16.37 -8.61 C 21.25 -7.13 C 12.35 -16.45 C 12.16 -12.45 C 16.75 -12.77 C 15.70 -6.28 C 14.59 -11.00 O 14.76 -16.45 O 10.96 -10.33 O 13.56 -11.56 O 12.35 -9.79 O 19.58 -13.67 O 17.79 -4.77 Cl 21.25 -9.54 C 13.56 -7.80 C 14.59 -7.13 C 14.76 -13.67 C 19.15 -6.55 O 13.56 -14.36 O 16.03 -11.65 O 19.93 -11.34 O 13.40 -10.40 O 17.85 -8.67 C 13.56 -15.76 C 12.16 -11.05 C 19.93 -7.66 C 14.76 -12.29 C 13.56 -9.07 C 19.15 -12.40 C 17.85 -12.02 C 17.85 -6.17 C 19.93 -9.07 C 19.15 -10.20 C 16.58 -6.55 C 16.46 -10.20 C 15.70 -9.07 C 15.70 -7.80 C 14.59 -9.71 C 17.85 -10.69 36 1 -2 2 26 2 3 24 1 4 25 1 30 5 -2 37 6 -1 38 7 -1 8 24 2 9 25 2 10 27 2 11 28 2 12 29 2 31 13 -2 32 14 -2 15 16 2 15 28 1 16 37 1 17 19 1 17 27 1 18 26 1 18 31 1 19 24 1 20 27 1 35 20 -1 21 29 1 33 21 -2 22 25 1 38 22 -2 34 23 -1 39 23 -2 26 32 1 28 38 1 29 30 1 30 39 1 31 34 1 32 33 1 33 39 1 34 37 1 35 36 1 35 39 1 36 37 1 36 38 1', '39 42 H 16.37 -8.61 C:123 21.25 -7.13 C:21 12.35 -16.45 C:20 12.16 -12.45 C:7 16.75 -12.77 C:21 15.70 -6.28 C:22 14.59 -11.00 O 14.76 -16.45 O 10.96 -10.33 O 13.56 -11.56 O 12.35 -9.79 O 19.58 -13.67 O 17.79 -4.77 Cl 21.25 -9.54 C:125 13.56 -7.80 C:152 14.59 -7.13 C:61 14.76 -13.67 C:41 19.15 -6.55 O 13.56 -14.36 O 16.03 -11.65 O 19.93 -11.34 O 13.40 -10.40 O 17.85 -8.67 C:170 13.56 -15.76 C:170 12.16 -11.05 C:138 19.93 -7.66 C:168 14.76 -12.29 C:194 13.56 -9.07 C:174 19.15 -12.40 C:49 17.85 -12.02 C:70 17.85 -6.17 C:59 19.93 -9.07 C:86 19.15 -10.20 C:86 16.58 -6.55 C:70 16.46 -10.20 C:42 15.70 -9.07 C:36 15.70 -7.80 C:81 14.59 -9.71 C:83 17.85 -10.69 36 1 -2 2 26 2 3 24 1 4 25 1 30 5 -2 37 6 -1 38 7 -1 8 24 2 9 25 2 10 27 2 11 28 2 12 29 2 31 13 -2 32 14 -2 15 16 2 15 28 1 16 37 1 17 19 1 17 27 1 18 26 1 18 31 1 19 24 1 20 27 1 35 20 -1 21 29 1 33 21 -2 22 25 1 38 22 -2 34 23 -1 39 23 -2 26 32 1 28 38 1 29 30 1 30 39 1 31 34 1 32 33 1 33 39 1 34 37 1 35 36 1 35 39 1 36 37 1 36 38 1', 'C26H31ClO11', 554.732, 'C', 'jo91_2344_7', 4023, '', 'Erythropodlum carlbaeorum', '1', 45, NULL, NULL),
(16027, 'Erytrolide I', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001](=O)[CH2:9002]O)[C@@:8]12O[C@H:2]([C@H:3](O)[CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]1O[C:19](=O)[C@@H:17]2[CH3:18])[C@@:1]3([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]4([CH3:20])O[C:11001]([CH3:11002])=O', '[H][C@@]34[C@H](OC(=O)CO)[C@@]12O[C@H]([C@H](O)CC(=C)[C@H](Cl)[C@@H]1OC(=O)[C@@H]2C)[C@@]3(C)C=CC(=O)[C@@]4(C)OC(C)=O', '[H][C@@:42]34[C@H:70](O[C:172](=O)[CH2:61]O)[C@@:83]12O[C@H:86]([C@H:70](O)[CH2:41][C:138](=[CH2:123])[C@H:59](Cl)[C@@H:86]1O[C:174](=O)[C@@H:49]2[CH3:7])[C@@:36]3([CH3:21])[CH:152]=[CH:125][C:194](=O)[C@@:81]4([CH3:23])O[C:170]([CH3:21])=O', '36 39 H 16.37 -8.61 C:16 21.25 -7.13 C:11002 12.16 -12.45 C:18 16.75 -12.77 C:15 15.70 -6.28 C:20 14.59 -11.00 O 10.96 -10.33 O 13.56 -11.56 O 12.35 -9.79 O 19.58 -13.67 O 13.56 -14.36 O 17.79 -4.77 Cl 21.25 -9.54 C:13 13.56 -7.80 C:14 14.59 -7.13 C:9002 14.76 -13.67 C:4 19.15 -6.55 O 16.03 -11.65 O 19.93 -11.34 O 13.40 -10.40 O 17.85 -8.67 C:11001 12.16 -11.05 C:5 19.93 -7.66 C:9001 14.76 -12.29 C:12 13.56 -9.07 C:19 19.15 -12.40 C:17 17.85 -12.02 C:3 17.85 -6.17 C:6 19.93 -9.07 C:7 19.15 -10.20 C:2 16.58 -6.55 C:9 16.46 -10.20 C:10 15.70 -9.07 C:1 15.70 -7.80 C:11 14.59 -9.71 C:8 17.85 -10.69 33 1 -2 2 23 2 3 22 1 27 4 -2 34 5 -1 35 6 -1 7 22 2 8 24 2 9 25 2 10 26 2 11 16 1 28 12 -2 29 13 -2 14 15 2 14 25 1 15 34 1 16 24 1 17 23 1 17 28 1 18 24 1 32 18 -1 19 26 1 30 19 -2 20 22 1 35 20 -2 31 21 -1 36 21 -2 23 29 1 25 35 1 26 27 1 27 36 1 28 31 1 29 30 1 30 36 1 31 34 1 32 33 1 32 36 1 33 34 1 33 35 1', '36 39 H 16.37 -8.61 C 21.25 -7.13 C 12.16 -12.45 C 16.75 -12.77 C 15.70 -6.28 C 14.59 -11.00 O 10.96 -10.33 O 13.56 -11.56 O 12.35 -9.79 O 19.58 -13.67 O 13.56 -14.36 O 17.79 -4.77 Cl 21.25 -9.54 C 13.56 -7.80 C 14.59 -7.13 C 14.76 -13.67 C 19.15 -6.55 O 16.03 -11.65 O 19.93 -11.34 O 13.40 -10.40 O 17.85 -8.67 C 12.16 -11.05 C 19.93 -7.66 C 14.76 -12.29 C 13.56 -9.07 C 19.15 -12.40 C 17.85 -12.02 C 17.85 -6.17 C 19.93 -9.07 C 19.15 -10.20 C 16.58 -6.55 C 16.46 -10.20 C 15.70 -9.07 C 15.70 -7.80 C 14.59 -9.71 C 17.85 -10.69 33 1 -2 2 23 2 3 22 1 27 4 -2 34 5 -1 35 6 -1 7 22 2 8 24 2 9 25 2 10 26 2 11 16 1 28 12 -2 29 13 -2 14 15 2 14 25 1 15 34 1 16 24 1 17 23 1 17 28 1 18 24 1 32 18 -1 19 26 1 30 19 -2 20 22 1 35 20 -2 31 21 -1 36 21 -2 23 29 1 25 35 1 26 27 1 27 36 1 28 31 1 29 30 1 30 36 1 31 34 1 32 33 1 32 36 1 33 34 1 33 35 1', '36 39 H 16.37 -8.61 C:123 21.25 -7.13 C:21 12.16 -12.45 C:7 16.75 -12.77 C:21 15.70 -6.28 C:23 14.59 -11.00 O 10.96 -10.33 O 13.56 -11.56 O 12.35 -9.79 O 19.58 -13.67 O 13.56 -14.36 O 17.79 -4.77 Cl 21.25 -9.54 C:125 13.56 -7.80 C:152 14.59 -7.13 C:61 14.76 -13.67 C:41 19.15 -6.55 O 16.03 -11.65 O 19.93 -11.34 O 13.40 -10.40 O 17.85 -8.67 C:170 12.16 -11.05 C:138 19.93 -7.66 C:172 14.76 -12.29 C:194 13.56 -9.07 C:174 19.15 -12.40 C:49 17.85 -12.02 C:70 17.85 -6.17 C:59 19.93 -9.07 C:86 19.15 -10.20 C:86 16.58 -6.55 C:70 16.46 -10.20 C:42 15.70 -9.07 C:36 15.70 -7.80 C:81 14.59 -9.71 C:83 17.85 -10.69 33 1 -2 2 23 2 3 22 1 27 4 -2 34 5 -1 35 6 -1 7 22 2 8 24 2 9 25 2 10 26 2 11 16 1 28 12 -2 29 13 -2 14 15 2 14 25 1 15 34 1 16 24 1 17 23 1 17 28 1 18 24 1 32 18 -1 19 26 1 30 19 -2 20 22 1 35 20 -2 31 21 -1 36 21 -2 23 29 1 25 35 1 26 27 1 27 36 1 28 31 1 29 30 1 30 36 1 31 34 1 32 33 1 32 36 1 33 34 1 33 35 1', 'C24H29ClO10', 512.711, 'C', 'jo91_2344_8', 4023, '', 'Erythropodlum carlbaeorum', '1', 45, NULL, NULL),
(16028, 'Erytrolide G', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]12O[C@H:2]([C@H:3](O)[CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]1O[C:19](=O)[C@@H:17]2[CH3:18])[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]4([CH3:20])O[C:11001]([CH3:11002])=O', '[H][C@@]34[C@H](OC(C)=O)[C@@]12O[C@H]([C@H](O)CC(=C)[C@H](Cl)[C@@H]1OC(=O)[C@@H]2C)[C@@]3(C)C=C[C@@H](OC(C)=O)[C@@]4(C)OC(C)=O', '[H][C@@:41]34[C@H:68](O[C:170]([CH3:21])=O)[C@@:83]12O[C@H:88]([C@H:70](O)[CH2:41][C:139](=[CH2:123])[C@H:59](Cl)[C@@H:86]1O[C:174](=O)[C@@H:50]2[CH3:6])[C@@:36]3([CH3:22])[CH:138]=[CH:121][C@@H:77](O[C:169]([CH3:20])=O)[C@@:83]4([CH3:19])O[C:169]([CH3:21])=O', '38 41 H 16.90 -10.00 C:16 21.77 -8.52 C:12002 10.48 -11.21 C:9002 15.30 -15.05 C:11002 12.71 -13.83 C:18 17.28 -14.15 C:15 16.23 -7.67 C:20 15.13 -12.39 O 11.68 -9.10 O 14.10 -12.95 O 11.51 -11.72 O 20.11 -15.05 O 18.32 -6.16 Cl 21.77 -10.93 C:13 14.10 -9.19 C:14 15.13 -8.52 C:4 19.68 -7.94 O 12.90 -11.21 O 16.56 -13.04 O 20.46 -12.73 O 13.94 -11.79 O 18.38 -10.06 C:12001 11.68 -10.50 C:9001 15.30 -13.67 C:11001 12.71 -12.44 C:5 20.46 -9.05 C:19 19.68 -13.83 C:17 18.38 -13.40 C:3 18.38 -7.56 C:6 20.46 -10.46 C:12 14.10 -10.50 C:7 19.68 -11.59 C:2 17.11 -7.94 C:9 16.99 -11.59 C:10 16.23 -10.50 C:1 16.23 -9.19 C:11 15.13 -11.10 C:8 18.38 -12.08 35 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 28 6 -2 36 7 -1 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -2 30 14 -2 15 16 2 15 31 1 16 36 1 17 26 1 17 29 1 18 23 1 31 18 -2 19 24 1 34 19 -1 20 27 1 32 20 -2 21 25 1 37 21 -2 33 22 -1 38 22 -2 26 30 1 27 28 1 28 38 1 29 33 1 30 32 1 31 37 1 32 38 1 33 36 1 34 35 1 34 38 1 35 36 1 35 37 1', '38 41 H 16.90 -10.00 C 21.77 -8.52 C 10.48 -11.21 C 15.30 -15.05 C 12.71 -13.83 C 17.28 -14.15 C 16.23 -7.67 C 15.13 -12.39 O 11.68 -9.10 O 14.10 -12.95 O 11.51 -11.72 O 20.11 -15.05 O 18.32 -6.16 Cl 21.77 -10.93 C 14.10 -9.19 C 15.13 -8.52 C 19.68 -7.94 O 12.90 -11.21 O 16.56 -13.04 O 20.46 -12.73 O 13.94 -11.79 O 18.38 -10.06 C 11.68 -10.50 C 15.30 -13.67 C 12.71 -12.44 C 20.46 -9.05 C 19.68 -13.83 C 18.38 -13.40 C 18.38 -7.56 C 20.46 -10.46 C 14.10 -10.50 C 19.68 -11.59 C 17.11 -7.94 C 16.99 -11.59 C 16.23 -10.50 C 16.23 -9.19 C 15.13 -11.10 C 18.38 -12.08 35 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 28 6 -2 36 7 -1 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -2 30 14 -2 15 16 2 15 31 1 16 36 1 17 26 1 17 29 1 18 23 1 31 18 -2 19 24 1 34 19 -1 20 27 1 32 20 -2 21 25 1 37 21 -2 33 22 -1 38 22 -2 26 30 1 27 28 1 28 38 1 29 33 1 30 32 1 31 37 1 32 38 1 33 36 1 34 35 1 34 38 1 35 36 1 35 37 1', '38 41 H 16.90 -10.00 C:123 21.77 -8.52 C:20 10.48 -11.21 C:21 15.30 -15.05 C:21 12.71 -13.83 C:6 17.28 -14.15 C:22 16.23 -7.67 C:19 15.13 -12.39 O 11.68 -9.10 O 14.10 -12.95 O 11.51 -11.72 O 20.11 -15.05 O 18.32 -6.16 Cl 21.77 -10.93 C:121 14.10 -9.19 C:138 15.13 -8.52 C:41 19.68 -7.94 O 12.90 -11.21 O 16.56 -13.04 O 20.46 -12.73 O 13.94 -11.79 O 18.38 -10.06 C:169 11.68 -10.50 C:170 15.30 -13.67 C:169 12.71 -12.44 C:139 20.46 -9.05 C:174 19.68 -13.83 C:50 18.38 -13.40 C:70 18.38 -7.56 C:59 20.46 -10.46 C:77 14.10 -10.50 C:86 19.68 -11.59 C:88 17.11 -7.94 C:68 16.99 -11.59 C:41 16.23 -10.50 C:36 16.23 -9.19 C:83 15.13 -11.10 C:83 18.38 -12.08 35 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 28 6 -2 36 7 -1 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -2 30 14 -2 15 16 2 15 31 1 16 36 1 17 26 1 17 29 1 18 23 1 31 18 -2 19 24 1 34 19 -1 20 27 1 32 20 -2 21 25 1 37 21 -2 33 22 -1 38 22 -2 26 30 1 27 28 1 28 38 1 29 33 1 30 32 1 31 37 1 32 38 1 33 36 1 34 35 1 34 38 1 35 36 1 35 37 1', 'C26H33ClO10', 540.733, 'C', 'jo91_2344_9', 4023, '', 'erythropodlum carlbaeorum', '1', 45, NULL, NULL),
(16029, 'Cyclobutenbriarein A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:3]15[CH:4]=[C:5]([CH3:16])[C@@:6]1([H])[C@@H:7]2O[C:18](=O)[C@H:17]([CH3:19])[C@@:8]2(O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]4([H])[C@:11]([CH3:20])(O)[C@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@@H:13]3O[C@@H:14]3[C@:1]4([CH3:15])[C:2]5=O', '[H][C@]15C=C(C)[C@@]1([H])[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@@]4([H])[C@](C)(O)[C@H](OC(=O)CCC)[C@@H]3O[C@@H]3[C@]4(C)C5=O', '[H][C@:48]15[CH:128]=[C:149]([CH3:17])[C@@:47]1([H])[C@@H:83]2O[C:176](=O)[C@H:42]([CH3:7])[C@@:80]2(O)[C@@H:66](O[C:169]([CH3:21])=O)[C@@:36]4([H])[C@:71]([CH3:26])(O)[C@H:72](O[C:175](=O)[CH2:36][CH2:19][CH3:14])[C@@H:51]3O[C@@H:59]3[C@:50]4([CH3:16])[C:209]5=O', '39 43 H 21.04 -7.29 H 22.84 -10.30 H 18.62 -12.13 C:12004 10.01 -11.62 C:9002 19.34 -15.69 C:16 24.46 -8.49 C:19 21.04 -14.46 C:20 18.04 -12.81 C:15 18.62 -8.07 O 17.10 -14.70 O 13.69 -9.51 O 24.08 -13.97 O 19.07 -7.19 O 16.64 -12.81 O 20.40 -10.66 C:4 22.05 -7.49 C:12003 11.25 -10.92 C:12002 12.46 -11.62 O 19.07 -13.24 O 14.92 -11.62 O 23.29 -11.56 O 16.16 -8.07 C:9001 18.51 -14.54 C:5 23.07 -8.49 C:12001 13.69 -10.92 C:18 23.07 -12.97 C:2 19.61 -8.49 C:17 21.68 -13.19 C:13 16.16 -9.51 C:12 16.16 -10.92 C:14 17.37 -8.79 C:7 22.05 -10.92 C:9 19.61 -11.92 C:3 21.04 -8.49 C:11 17.37 -11.62 C:6 22.05 -9.51 C:1 18.62 -9.51 C:10 18.62 -10.92 C:8 21.04 -11.92 34 1 -2 36 2 -2 38 3 -2 4 17 1 5 23 1 6 24 1 28 7 -2 35 8 -1 37 9 -1 10 23 2 11 25 2 12 26 2 13 27 2 35 14 -2 39 15 -2 16 24 2 16 34 1 17 18 1 18 25 1 19 23 1 33 19 -1 20 25 1 30 20 -2 21 26 1 32 21 -2 29 22 -2 31 22 -2 24 36 1 26 28 1 27 34 1 27 37 1 28 39 1 29 30 1 29 31 1 30 35 1 31 37 1 32 36 1 32 39 1 33 38 1 33 39 1 34 36 1 35 38 1 37 38 1', '39 43 H 21.04 -7.29 H 22.84 -10.30 H 18.62 -12.13 C 10.01 -11.62 C 19.34 -15.69 C 24.46 -8.49 C 21.04 -14.46 C 18.04 -12.81 C 18.62 -8.07 O 17.10 -14.70 O 13.69 -9.51 O 24.08 -13.97 O 19.07 -7.19 O 16.64 -12.81 O 20.40 -10.66 C 22.05 -7.49 C 11.25 -10.92 C 12.46 -11.62 O 19.07 -13.24 O 14.92 -11.62 O 23.29 -11.56 O 16.16 -8.07 C 18.51 -14.54 C 23.07 -8.49 C 13.69 -10.92 C 23.07 -12.97 C 19.61 -8.49 C 21.68 -13.19 C 16.16 -9.51 C 16.16 -10.92 C 17.37 -8.79 C 22.05 -10.92 C 19.61 -11.92 C 21.04 -8.49 C 17.37 -11.62 C 22.05 -9.51 C 18.62 -9.51 C 18.62 -10.92 C 21.04 -11.92 34 1 -2 36 2 -2 38 3 -2 4 17 1 5 23 1 6 24 1 28 7 -2 35 8 -1 37 9 -1 10 23 2 11 25 2 12 26 2 13 27 2 35 14 -2 39 15 -2 16 24 2 16 34 1 17 18 1 18 25 1 19 23 1 33 19 -1 20 25 1 30 20 -2 21 26 1 32 21 -2 29 22 -2 31 22 -2 24 36 1 26 28 1 27 34 1 27 37 1 28 39 1 29 30 1 29 31 1 30 35 1 31 37 1 32 36 1 32 39 1 33 38 1 33 39 1 34 36 1 35 38 1 37 38 1', '39 43 H 21.04 -7.29 H 22.84 -10.30 H 18.62 -12.13 C:14 10.01 -11.62 C:21 19.34 -15.69 C:17 24.46 -8.49 C:7 21.04 -14.46 C:26 18.04 -12.81 C:16 18.62 -8.07 O 17.10 -14.70 O 13.69 -9.51 O 24.08 -13.97 O 19.07 -7.19 O 16.64 -12.81 O 20.40 -10.66 C:128 22.05 -7.49 C:19 11.25 -10.92 C:36 12.46 -11.62 O 19.07 -13.24 O 14.92 -11.62 O 23.29 -11.56 O 16.16 -8.07 C:169 18.51 -14.54 C:149 23.07 -8.49 C:175 13.69 -10.92 C:176 23.07 -12.97 C:209 19.61 -8.49 C:42 21.68 -13.19 C:51 16.16 -9.51 C:72 16.16 -10.92 C:59 17.37 -8.79 C:83 22.05 -10.92 C:66 19.61 -11.92 C:48 21.04 -8.49 C:71 17.37 -11.62 C:47 22.05 -9.51 C:50 18.62 -9.51 C:36 18.62 -10.92 C:80 21.04 -11.92 34 1 -2 36 2 -2 38 3 -2 4 17 1 5 23 1 6 24 1 28 7 -2 35 8 -1 37 9 -1 10 23 2 11 25 2 12 26 2 13 27 2 35 14 -2 39 15 -2 16 24 2 16 34 1 17 18 1 18 25 1 19 23 1 33 19 -1 20 25 1 30 20 -2 21 26 1 32 21 -2 29 22 -2 31 22 -2 24 36 1 26 28 1 27 34 1 27 37 1 28 39 1 29 30 1 29 31 1 30 35 1 31 37 1 32 36 1 32 39 1 33 38 1 33 39 1 34 36 1 35 38 1 37 38 1', 'C26H34O10', 506.296, 'C', 'jo02_5117_2', 4024, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16030, '11-Hydroxybrianthein V', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@H:14]3O[C@H:13]3[C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@@:11]4([CH3:20])O', '[H][C@@]24[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@H](OC(=O)CCC)[C@@]2(C)[C@H]3O[C@H]3[C@@H](OC(=O)CCC)[C@@]4(C)O', '[H][C@@:37]24[C@H:69](O[C:170]([CH3:22])=O)[C@:84]1(O)[C@@H:46]([CH3:7])[C:174](=O)O[C@H:78]1[C@@H:63](Cl)[C:136](=[CH2:118])[CH:128]=[CH:130][C@H:76](O[C:172](=O)[CH2:36][CH2:18][CH3:14])[C@@:43]2([CH3:16])[C@H:62]3O[C@H:54]3[C@@H:73](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[C@@:73]4([CH3:22])O', '43 46 H 19.29 -12.62 C:16 24.34 -11.08 C:2004 21.94 -4.88 C:12004 10.20 -13.87 C:9002 18.24 -17.86 C:18 19.69 -17.02 C:20 18.12 -15.01 C:15 18.59 -10.18 O 16.34 -16.37 O 21.94 -9.06 O 13.86 -11.72 O 22.68 -17.94 O 16.72 -15.01 O 20.85 -13.42 Cl 24.34 -13.70 C:4 22.22 -10.47 C:3 20.85 -10.06 C:2003 21.94 -6.29 C:12003 11.41 -13.15 C:2002 20.74 -6.98 C:12002 12.64 -13.87 O 19.51 -9.06 O 18.59 -15.47 O 15.08 -13.87 O 23.05 -15.47 O 16.21 -10.38 C:9001 17.73 -16.57 C:5 23.05 -11.64 C:2001 20.74 -8.38 C:12001 13.86 -13.15 C:19 22.22 -16.57 C:17 20.85 -16.22 C:6 23.05 -13.15 C:2 19.51 -10.47 C:13 16.28 -11.72 C:7 22.22 -14.32 C:12 16.28 -13.15 C:14 17.43 -11.08 C:9 19.38 -14.32 C:11 17.43 -13.79 C:10 18.59 -13.15 C:1 18.59 -11.72 C:8 20.85 -14.83 41 1 -2 2 28 2 3 18 1 4 19 1 5 27 1 32 6 -2 40 7 -1 42 8 -1 9 27 2 10 29 2 11 30 2 12 31 2 40 13 -2 43 14 -2 33 15 -2 16 17 2 16 28 1 17 34 1 18 20 1 19 21 1 20 29 1 21 30 1 22 29 1 34 22 -1 23 27 1 39 23 -1 24 30 1 37 24 -2 25 31 1 36 25 -2 35 26 -2 38 26 -2 28 33 1 31 32 1 32 43 1 33 36 1 34 42 1 35 37 1 35 38 1 36 43 1 37 40 1 38 42 1 39 41 1 39 43 1 40 41 1 41 42 1', '43 46 H 19.29 -12.62 C 24.34 -11.08 C 21.94 -4.88 C 10.20 -13.87 C 18.24 -17.86 C 19.69 -17.02 C 18.12 -15.01 C 18.59 -10.18 O 16.34 -16.37 O 21.94 -9.06 O 13.86 -11.72 O 22.68 -17.94 O 16.72 -15.01 O 20.85 -13.42 Cl 24.34 -13.70 C 22.22 -10.47 C 20.85 -10.06 C 21.94 -6.29 C 11.41 -13.15 C 20.74 -6.98 C 12.64 -13.87 O 19.51 -9.06 O 18.59 -15.47 O 15.08 -13.87 O 23.05 -15.47 O 16.21 -10.38 C 17.73 -16.57 C 23.05 -11.64 C 20.74 -8.38 C 13.86 -13.15 C 22.22 -16.57 C 20.85 -16.22 C 23.05 -13.15 C 19.51 -10.47 C 16.28 -11.72 C 22.22 -14.32 C 16.28 -13.15 C 17.43 -11.08 C 19.38 -14.32 C 17.43 -13.79 C 18.59 -13.15 C 18.59 -11.72 C 20.85 -14.83 41 1 -2 2 28 2 3 18 1 4 19 1 5 27 1 32 6 -2 40 7 -1 42 8 -1 9 27 2 10 29 2 11 30 2 12 31 2 40 13 -2 43 14 -2 33 15 -2 16 17 2 16 28 1 17 34 1 18 20 1 19 21 1 20 29 1 21 30 1 22 29 1 34 22 -1 23 27 1 39 23 -1 24 30 1 37 24 -2 25 31 1 36 25 -2 35 26 -2 38 26 -2 28 33 1 31 32 1 32 43 1 33 36 1 34 42 1 35 37 1 35 38 1 36 43 1 37 40 1 38 42 1 39 41 1 39 43 1 40 41 1 41 42 1', '43 46 H 19.29 -12.62 C:118 24.34 -11.08 C:14 21.94 -4.88 C:14 10.20 -13.87 C:22 18.24 -17.86 C:7 19.69 -17.02 C:22 18.12 -15.01 C:16 18.59 -10.18 O 16.34 -16.37 O 21.94 -9.06 O 13.86 -11.72 O 22.68 -17.94 O 16.72 -15.01 O 20.85 -13.42 Cl 24.34 -13.70 C:128 22.22 -10.47 C:130 20.85 -10.06 C:18 21.94 -6.29 C:19 11.41 -13.15 C:36 20.74 -6.98 C:36 12.64 -13.87 O 19.51 -9.06 O 18.59 -15.47 O 15.08 -13.87 O 23.05 -15.47 O 16.21 -10.38 C:170 17.73 -16.57 C:136 23.05 -11.64 C:172 20.74 -8.38 C:173 13.86 -13.15 C:174 22.22 -16.57 C:46 20.85 -16.22 C:63 23.05 -13.15 C:76 19.51 -10.47 C:54 16.28 -11.72 C:78 22.22 -14.32 C:73 16.28 -13.15 C:62 17.43 -11.08 C:69 19.38 -14.32 C:73 17.43 -13.79 C:37 18.59 -13.15 C:43 18.59 -11.72 C:84 20.85 -14.83 41 1 -2 2 28 2 3 18 1 4 19 1 5 27 1 32 6 -2 40 7 -1 42 8 -1 9 27 2 10 29 2 11 30 2 12 31 2 40 13 -2 43 14 -2 33 15 -2 16 17 2 16 28 1 17 34 1 18 20 1 19 21 1 20 29 1 21 30 1 22 29 1 34 22 -1 23 27 1 39 23 -1 24 30 1 37 24 -2 25 31 1 36 25 -2 35 26 -2 38 26 -2 28 33 1 31 32 1 32 43 1 33 36 1 34 42 1 35 37 1 35 38 1 36 43 1 37 40 1 38 42 1 39 41 1 39 43 1 40 41 1 41 42 1', 'C30H41ClO11', 612.775, 'C', 'jo02_5117_1', 4024, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16031, '11-Hydroxybrianthein U', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@H:14]3O[C@H:13]3[C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@@:11]4([CH3:20])O', '[H][C@@]24[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@H](OC(C)=O)[C@@]2(C)[C@H]3O[C@H]3[C@@H](OC(=O)CCC)[C@@]4(C)O', '[H][C@@:36]24[C@H:69](O[C:170]([CH3:22])=O)[C@:84]1(O)[C@@H:46]([CH3:77])[C:175](=O)O[C@H:78]1[C@@H:63](Cl)[C:136](=[CH2:118])[CH:128]=[CH:130][C@H:76](O[C:170]([CH3:21])=O)[C@@:43]2([CH3:16])[C@H:62]3O[C@H:54]3[C@@H:73](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[C@@:73]4([CH3:22])O', '41 44 H 19.26 -11.59 C:16 24.36 -10.05 C:12004 10.18 -12.83 C:2002 20.71 -5.97 C:9002 18.21 -16.82 C:18 19.66 -15.98 C:20 18.09 -13.96 C:15 18.56 -9.15 O 21.91 -8.04 O 16.30 -15.33 O 13.83 -10.69 O 22.64 -16.90 O 16.68 -13.96 O 20.82 -12.39 Cl 24.30 -12.67 C:4 22.19 -9.44 C:3 20.82 -9.03 C:12003 11.39 -12.12 C:12002 12.62 -12.83 O 19.48 -8.04 O 18.56 -14.43 O 15.04 -12.83 O 23.01 -14.43 O 16.17 -9.35 C:2001 20.71 -7.36 C:9001 17.70 -15.53 C:5 23.01 -10.61 C:12001 13.83 -12.12 C:19 22.19 -15.53 C:17 20.82 -15.18 C:6 23.01 -12.12 C:2 19.48 -9.44 C:13 16.24 -10.69 C:7 22.19 -13.28 C:12 16.24 -12.12 C:14 17.39 -10.05 C:9 19.35 -13.28 C:11 17.39 -12.76 C:10 18.56 -12.12 C:1 18.56 -10.69 C:8 20.82 -13.79 39 1 -2 2 27 2 3 18 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 2 16 27 1 17 32 1 18 19 1 19 28 1 20 25 1 32 20 -1 21 26 1 37 21 -1 22 28 1 35 22 -2 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', '41 44 H 19.26 -11.59 C 24.36 -10.05 C 10.18 -12.83 C 20.71 -5.97 C 18.21 -16.82 C 19.66 -15.98 C 18.09 -13.96 C 18.56 -9.15 O 21.91 -8.04 O 16.30 -15.33 O 13.83 -10.69 O 22.64 -16.90 O 16.68 -13.96 O 20.82 -12.39 Cl 24.30 -12.67 C 22.19 -9.44 C 20.82 -9.03 C 11.39 -12.12 C 12.62 -12.83 O 19.48 -8.04 O 18.56 -14.43 O 15.04 -12.83 O 23.01 -14.43 O 16.17 -9.35 C 20.71 -7.36 C 17.70 -15.53 C 23.01 -10.61 C 13.83 -12.12 C 22.19 -15.53 C 20.82 -15.18 C 23.01 -12.12 C 19.48 -9.44 C 16.24 -10.69 C 22.19 -13.28 C 16.24 -12.12 C 17.39 -10.05 C 19.35 -13.28 C 17.39 -12.76 C 18.56 -12.12 C 18.56 -10.69 C 20.82 -13.79 39 1 -2 2 27 2 3 18 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 2 16 27 1 17 32 1 18 19 1 19 28 1 20 25 1 32 20 -1 21 26 1 37 21 -1 22 28 1 35 22 -2 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', '41 44 H 19.26 -11.59 C:118 24.36 -10.05 C:14 10.18 -12.83 C:21 20.71 -5.97 C:22 18.21 -16.82 C:7 19.66 -15.98 C:22 18.09 -13.96 C:16 18.56 -9.15 O 21.91 -8.04 O 16.30 -15.33 O 13.83 -10.69 O 22.64 -16.90 O 16.68 -13.96 O 20.82 -12.39 Cl 24.30 -12.67 C:128 22.19 -9.44 C:130 20.82 -9.03 C:19 11.39 -12.12 C:36 12.62 -12.83 O 19.48 -8.04 O 18.56 -14.43 O 15.04 -12.83 O 23.01 -14.43 O 16.17 -9.35 C:170 20.71 -7.36 C:170 17.70 -15.53 C:136 23.01 -10.61 C:173 13.83 -12.12 C:175 22.19 -15.53 C:46 20.82 -15.18 C:63 23.01 -12.12 C:76 19.48 -9.44 C:54 16.24 -10.69 C:78 22.19 -13.28 C:73 16.24 -12.12 C:62 17.39 -10.05 C:69 19.35 -13.28 C:73 17.39 -12.76 C:36 18.56 -12.12 C:43 18.56 -10.69 C:84 20.82 -13.79 39 1 -2 2 27 2 3 18 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 2 16 27 1 17 32 1 18 19 1 19 28 1 20 25 1 32 20 -1 21 26 1 37 21 -1 22 28 1 35 22 -2 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', 'C28H37ClO11', 584.754, 'C', 'jo02_5117_3', 4024, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16032, '11-Hydroxybrianthein Y', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@H:14]3O[C@H:13]3[C@@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]4([CH3:20])O', '[H][C@@]24[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@H](OC(=O)CCC)[C@@]2(C)[C@H]3O[C@H]3[C@@H](OC(C)=O)[C@@]4(C)O', '[H][C@@:36]24[C@H:68](O[C:170]([CH3:22])=O)[C@:84]1(O)[C@@H:46]([CH3:77])[C:175](=O)O[C@H:78]1[C@@H:63](Cl)[C:136](=[CH2:118])[CH:128]=[CH:130][C@H:76](O[C:172](=O)[CH2:36][CH2:18][CH3:14])[C@@:43]2([CH3:16])[C@H:62]3O[C@H:54]3[C@@H:73](O[C:171]([CH3:20])=O)[C@@:73]4([CH3:22])O', '41 44 H 18.03 -12.62 C:16 23.14 -11.08 C:2004 20.69 -4.88 C:12002 11.40 -13.86 C:9002 16.98 -17.84 C:18 18.43 -17.00 C:20 16.85 -14.99 C:15 17.33 -10.18 O 12.61 -11.72 O 15.08 -16.36 O 20.69 -9.06 O 21.43 -17.92 O 15.45 -14.99 O 19.59 -13.42 Cl 23.08 -13.70 C:4 20.97 -10.47 C:3 19.59 -10.06 C:2003 20.69 -6.29 C:2002 19.48 -6.98 O 13.82 -13.86 O 18.25 -9.06 O 17.33 -15.48 O 21.80 -15.48 O 14.95 -10.38 C:12001 12.61 -13.15 C:9001 16.47 -16.56 C:5 21.80 -11.64 C:2001 19.48 -8.37 C:19 20.97 -16.56 C:17 19.59 -16.21 C:6 21.80 -13.15 C:2 18.25 -10.47 C:13 15.02 -11.72 C:7 20.97 -14.31 C:12 15.02 -13.15 C:14 16.17 -11.08 C:9 18.12 -14.31 C:11 16.17 -13.79 C:10 17.33 -13.15 C:1 17.33 -11.72 C:8 19.59 -14.83 39 1 -2 2 27 2 3 18 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 2 16 27 1 17 32 1 18 19 1 19 28 1 20 25 1 35 20 -2 21 28 1 32 21 -1 22 26 1 37 22 -1 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', '41 44 H 18.03 -12.62 C 23.14 -11.08 C 20.69 -4.88 C 11.40 -13.86 C 16.98 -17.84 C 18.43 -17.00 C 16.85 -14.99 C 17.33 -10.18 O 12.61 -11.72 O 15.08 -16.36 O 20.69 -9.06 O 21.43 -17.92 O 15.45 -14.99 O 19.59 -13.42 Cl 23.08 -13.70 C 20.97 -10.47 C 19.59 -10.06 C 20.69 -6.29 C 19.48 -6.98 O 13.82 -13.86 O 18.25 -9.06 O 17.33 -15.48 O 21.80 -15.48 O 14.95 -10.38 C 12.61 -13.15 C 16.47 -16.56 C 21.80 -11.64 C 19.48 -8.37 C 20.97 -16.56 C 19.59 -16.21 C 21.80 -13.15 C 18.25 -10.47 C 15.02 -11.72 C 20.97 -14.31 C 15.02 -13.15 C 16.17 -11.08 C 18.12 -14.31 C 16.17 -13.79 C 17.33 -13.15 C 17.33 -11.72 C 19.59 -14.83 39 1 -2 2 27 2 3 18 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 2 16 27 1 17 32 1 18 19 1 19 28 1 20 25 1 35 20 -2 21 28 1 32 21 -1 22 26 1 37 22 -1 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', '41 44 H 18.03 -12.62 C:118 23.14 -11.08 C:14 20.69 -4.88 C:20 11.40 -13.86 C:22 16.98 -17.84 C:7 18.43 -17.00 C:22 16.85 -14.99 C:16 17.33 -10.18 O 12.61 -11.72 O 15.08 -16.36 O 20.69 -9.06 O 21.43 -17.92 O 15.45 -14.99 O 19.59 -13.42 Cl 23.08 -13.70 C:128 20.97 -10.47 C:130 19.59 -10.06 C:18 20.69 -6.29 C:36 19.48 -6.98 O 13.82 -13.86 O 18.25 -9.06 O 17.33 -15.48 O 21.80 -15.48 O 14.95 -10.38 C:171 12.61 -13.15 C:170 16.47 -16.56 C:136 21.80 -11.64 C:172 19.48 -8.37 C:175 20.97 -16.56 C:46 19.59 -16.21 C:63 21.80 -13.15 C:76 18.25 -10.47 C:54 15.02 -11.72 C:78 20.97 -14.31 C:73 15.02 -13.15 C:62 16.17 -11.08 C:68 18.12 -14.31 C:73 16.17 -13.79 C:36 17.33 -13.15 C:43 17.33 -11.72 C:84 19.59 -14.83 39 1 -2 2 27 2 3 18 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 2 16 27 1 17 32 1 18 19 1 19 28 1 20 25 1 35 20 -2 21 28 1 32 21 -1 22 26 1 37 22 -1 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', 'C28H37ClO11', 584.754, 'C', 'jo02_5117_4', 4024, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16033, '3,4-Dihydro-11-hydroxybrianthein V', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@H:14]3O[C@H:13]3[C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@@:11]4([CH3:20])O', '[H][C@@]24[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@H](OC(=O)CCC)[C@@]2(C)[C@H]3O[C@H]3[C@@H](OC(=O)CCC)[C@@]4(C)O', '[H][C@@:36]24[C@H:69](O[C:170]([CH3:22])=O)[C@:83]1(O)[C@@H:45]([CH3:8])[C:175](=O)O[C@H:78]1[C@@H:67](Cl)[C:139](=[CH2:118])[CH2:33][CH2:28][C@H:78](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[C@@:43]2([CH3:16])[C@H:62]3O[C@H:54]3[C@@H:73](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[C@@:74]4([CH3:22])O', '43 46 H 19.21 -12.64 C:16 24.34 -11.09 C:2004 21.88 -4.89 C:12004 10.18 -13.88 C:9002 18.17 -17.85 C:18 19.61 -17.00 C:20 17.96 -15.05 C:15 18.52 -10.19 O 16.27 -16.35 O 21.88 -9.07 O 13.81 -11.77 O 22.62 -17.93 O 16.56 -14.95 O 20.77 -13.43 Cl 24.28 -13.70 C:2003 21.88 -6.30 C:12003 11.39 -13.18 C:2002 20.66 -6.99 C:12002 12.61 -13.88 C:4 22.16 -10.48 C:3 20.77 -10.07 O 18.52 -15.47 O 19.43 -9.07 O 15.02 -13.88 O 22.99 -15.47 O 16.15 -10.39 C:9001 17.65 -16.55 C:5 22.99 -11.66 C:2001 20.66 -8.38 C:12001 13.81 -13.18 C:19 22.16 -16.55 C:17 20.77 -16.21 C:6 22.99 -13.18 C:2 19.43 -10.48 C:13 16.27 -11.77 C:7 22.16 -14.31 C:12 16.27 -13.18 C:14 17.35 -11.09 C:9 19.30 -14.31 C:11 17.35 -13.79 C:10 18.52 -13.18 C:1 18.52 -11.77 C:8 20.77 -14.83 41 1 -2 2 28 2 3 16 1 4 17 1 5 27 1 32 6 -2 40 7 -1 42 8 -1 9 27 2 10 29 2 11 30 2 12 31 2 40 13 -2 43 14 -2 33 15 -2 16 18 1 17 19 1 18 29 1 19 30 1 20 21 1 20 28 1 21 34 1 22 27 1 39 22 -1 23 29 1 34 23 -1 24 30 1 37 24 -2 25 31 1 36 25 -2 35 26 -2 38 26 -2 28 33 1 31 32 1 32 43 1 33 36 1 34 42 1 35 37 1 35 38 1 36 43 1 37 40 1 38 42 1 39 41 1 39 43 1 40 41 1 41 42 1', '43 46 H 19.21 -12.64 C 24.34 -11.09 C 21.88 -4.89 C 10.18 -13.88 C 18.17 -17.85 C 19.61 -17.00 C 17.96 -15.05 C 18.52 -10.19 O 16.27 -16.35 O 21.88 -9.07 O 13.81 -11.77 O 22.62 -17.93 O 16.56 -14.95 O 20.77 -13.43 Cl 24.28 -13.70 C 21.88 -6.30 C 11.39 -13.18 C 20.66 -6.99 C 12.61 -13.88 C 22.16 -10.48 C 20.77 -10.07 O 18.52 -15.47 O 19.43 -9.07 O 15.02 -13.88 O 22.99 -15.47 O 16.15 -10.39 C 17.65 -16.55 C 22.99 -11.66 C 20.66 -8.38 C 13.81 -13.18 C 22.16 -16.55 C 20.77 -16.21 C 22.99 -13.18 C 19.43 -10.48 C 16.27 -11.77 C 22.16 -14.31 C 16.27 -13.18 C 17.35 -11.09 C 19.30 -14.31 C 17.35 -13.79 C 18.52 -13.18 C 18.52 -11.77 C 20.77 -14.83 41 1 -2 2 28 2 3 16 1 4 17 1 5 27 1 32 6 -2 40 7 -1 42 8 -1 9 27 2 10 29 2 11 30 2 12 31 2 40 13 -2 43 14 -2 33 15 -2 16 18 1 17 19 1 18 29 1 19 30 1 20 21 1 20 28 1 21 34 1 22 27 1 39 22 -1 23 29 1 34 23 -1 24 30 1 37 24 -2 25 31 1 36 25 -2 35 26 -2 38 26 -2 28 33 1 31 32 1 32 43 1 33 36 1 34 42 1 35 37 1 35 38 1 36 43 1 37 40 1 38 42 1 39 41 1 39 43 1 40 41 1 41 42 1', '43 46 H 19.21 -12.64 C:118 24.34 -11.09 C:14 21.88 -4.89 C:14 10.18 -13.88 C:22 18.17 -17.85 C:8 19.61 -17.00 C:22 17.96 -15.05 C:16 18.52 -10.19 O 16.27 -16.35 O 21.88 -9.07 O 13.81 -11.77 O 22.62 -17.93 O 16.56 -14.95 O 20.77 -13.43 Cl 24.28 -13.70 C:18 21.88 -6.30 C:18 11.39 -13.18 C:36 20.66 -6.99 C:36 12.61 -13.88 C:33 22.16 -10.48 C:28 20.77 -10.07 O 18.52 -15.47 O 19.43 -9.07 O 15.02 -13.88 O 22.99 -15.47 O 16.15 -10.39 C:170 17.65 -16.55 C:139 22.99 -11.66 C:173 20.66 -8.38 C:173 13.81 -13.18 C:175 22.16 -16.55 C:45 20.77 -16.21 C:67 22.99 -13.18 C:78 19.43 -10.48 C:54 16.27 -11.77 C:78 22.16 -14.31 C:73 16.27 -13.18 C:62 17.35 -11.09 C:69 19.30 -14.31 C:74 17.35 -13.79 C:36 18.52 -13.18 C:43 18.52 -11.77 C:83 20.77 -14.83 41 1 -2 2 28 2 3 16 1 4 17 1 5 27 1 32 6 -2 40 7 -1 42 8 -1 9 27 2 10 29 2 11 30 2 12 31 2 40 13 -2 43 14 -2 33 15 -2 16 18 1 17 19 1 18 29 1 19 30 1 20 21 1 20 28 1 21 34 1 22 27 1 39 22 -1 23 29 1 34 23 -1 24 30 1 37 24 -2 25 31 1 36 25 -2 35 26 -2 38 26 -2 28 33 1 31 32 1 32 43 1 33 36 1 34 42 1 35 37 1 35 38 1 36 43 1 37 40 1 38 42 1 39 41 1 39 43 1 40 41 1 41 42 1', 'C30H43ClO11', 614.775, 'C', 'jo02_5117_5', 4024, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16034, '3,4-Dihydro-11-hydroxybrianthein U', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@H:14]3O[C@H:13]3[C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@@:11]4([CH3:20])O', '[H][C@@]24[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@H](OC(C)=O)[C@@]2(C)[C@H]3O[C@H]3[C@@H](OC(=O)CCC)[C@@]4(C)O', '[H][C@@:36]24[C@H:70](O[C:170]([CH3:22])=O)[C@:83]1(O)[C@@H:45]([CH3:175])[C:8](=O)O[C@H:78]1[C@@H:67](Cl)[C:139](=[CH2:122])[CH2:30][CH2:28][C@H:78](O[C:170]([CH3:21])=O)[C@@:43]2([CH3:17])[C@H:63]3O[C@H:54]3[C@@H:73](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[C@@:73]4([CH3:22])O', '41 44 H 19.23 -11.58 C:16 24.35 -10.03 C:12004 10.18 -12.82 C:2002 20.68 -5.93 C:9002 18.18 -16.79 C:18 19.63 -15.94 C:20 17.97 -13.99 C:15 18.54 -9.13 O 21.90 -8.01 O 16.28 -15.29 O 13.82 -10.71 O 22.64 -16.87 O 16.57 -13.89 O 20.79 -12.37 Cl 24.29 -12.64 C:12003 11.39 -12.12 C:12002 12.62 -12.82 C:4 22.18 -9.42 C:3 20.79 -9.01 O 19.45 -8.01 O 18.54 -14.41 O 15.03 -12.82 O 23.01 -14.41 O 16.16 -9.33 C:2001 20.68 -7.32 C:9001 17.66 -15.49 C:5 23.01 -10.60 C:12001 13.82 -12.12 C:19 22.18 -15.49 C:17 20.79 -15.15 C:6 23.01 -12.12 C:2 19.45 -9.42 C:13 16.28 -10.71 C:7 22.18 -13.25 C:12 16.28 -12.12 C:14 17.36 -10.03 C:9 19.32 -13.25 C:11 17.36 -12.73 C:10 18.54 -12.12 C:1 18.54 -10.71 C:8 20.79 -13.77 39 1 -2 2 27 2 3 16 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 1 17 28 1 18 19 1 18 27 1 19 32 1 20 25 1 32 20 -1 21 26 1 37 21 -1 22 28 1 35 22 -2 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', '41 44 H 19.23 -11.58 C 24.35 -10.03 C 10.18 -12.82 C 20.68 -5.93 C 18.18 -16.79 C 19.63 -15.94 C 17.97 -13.99 C 18.54 -9.13 O 21.90 -8.01 O 16.28 -15.29 O 13.82 -10.71 O 22.64 -16.87 O 16.57 -13.89 O 20.79 -12.37 Cl 24.29 -12.64 C 11.39 -12.12 C 12.62 -12.82 C 22.18 -9.42 C 20.79 -9.01 O 19.45 -8.01 O 18.54 -14.41 O 15.03 -12.82 O 23.01 -14.41 O 16.16 -9.33 C 20.68 -7.32 C 17.66 -15.49 C 23.01 -10.60 C 13.82 -12.12 C 22.18 -15.49 C 20.79 -15.15 C 23.01 -12.12 C 19.45 -9.42 C 16.28 -10.71 C 22.18 -13.25 C 16.28 -12.12 C 17.36 -10.03 C 19.32 -13.25 C 17.36 -12.73 C 18.54 -12.12 C 18.54 -10.71 C 20.79 -13.77 39 1 -2 2 27 2 3 16 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 1 17 28 1 18 19 1 18 27 1 19 32 1 20 25 1 32 20 -1 21 26 1 37 21 -1 22 28 1 35 22 -2 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', '41 44 H 19.23 -11.58 C:122 24.35 -10.03 C:14 10.18 -12.82 C:21 20.68 -5.93 C:22 18.18 -16.79 C:175 19.63 -15.94 C:22 17.97 -13.99 C:17 18.54 -9.13 O 21.90 -8.01 O 16.28 -15.29 O 13.82 -10.71 O 22.64 -16.87 O 16.57 -13.89 O 20.79 -12.37 Cl 24.29 -12.64 C:19 11.39 -12.12 C:36 12.62 -12.82 C:30 22.18 -9.42 C:28 20.79 -9.01 O 19.45 -8.01 O 18.54 -14.41 O 15.03 -12.82 O 23.01 -14.41 O 16.16 -9.33 C:170 20.68 -7.32 C:170 17.66 -15.49 C:139 23.01 -10.60 C:173 13.82 -12.12 C:8 22.18 -15.49 C:45 20.79 -15.15 C:67 23.01 -12.12 C:78 19.45 -9.42 C:54 16.28 -10.71 C:78 22.18 -13.25 C:73 16.28 -12.12 C:63 17.36 -10.03 C:70 19.32 -13.25 C:73 17.36 -12.73 C:36 18.54 -12.12 C:43 18.54 -10.71 C:83 20.79 -13.77 39 1 -2 2 27 2 3 16 1 4 25 1 5 26 1 30 6 -2 38 7 -1 40 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 38 13 -2 41 14 -2 31 15 -2 16 17 1 17 28 1 18 19 1 18 27 1 19 32 1 20 25 1 32 20 -1 21 26 1 37 21 -1 22 28 1 35 22 -2 23 29 1 34 23 -2 33 24 -2 36 24 -2 27 31 1 29 30 1 30 41 1 31 34 1 32 40 1 33 35 1 33 36 1 34 41 1 35 38 1 36 40 1 37 39 1 37 41 1 38 39 1 39 40 1', 'C28H39ClO11', 586.754, 'C', 'jo02_5117_6', 4024, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16035, 'Briaexcavatolide X', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C:12](=O)[C:13](O)=[CH:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C@@:5]([CH3:16])(O)[C@H:6](O)[C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)C(=O)C(O)=C[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@](C)(O)[C@H](O)[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:40]14[C@@H:43]([CH3:15])[C:193](=O)[C:130](O)=[CH:150][C@:46]1([CH3:18])[C@@H:80](O[C:169]([CH3:22])=O)[C@@H:71](O[C:170]([CH3:21])=O)[CH2:38][C@@:59]([CH3:22])(O)[C@H:63](O)[C@@H:76]2O[C:170](=O)[C@@:60]3([CH3:10])O[C@:69]23[C@H:66]4O[C:170]([CH3:21])=O', '40 43 H 16.82 -11.81 C:3002 19.59 -5.75 C:2002 14.60 -6.87 C:9002 16.07 -17.11 C:20 14.94 -14.39 C:16 21.92 -11.26 C:15 16.07 -9.37 C:18 17.22 -16.20 O 20.79 -7.85 O 14.26 -9.27 O 14.02 -15.81 O 12.59 -13.00 O 20.19 -17.11 O 12.59 -10.28 O 21.92 -12.67 O 21.55 -9.84 C:14 14.94 -10.28 C:4 19.75 -9.66 O 18.38 -7.85 O 16.51 -8.36 O 16.17 -14.69 O 20.57 -14.69 O 19.59 -14.69 C:3001 19.59 -7.15 C:2001 15.12 -8.17 C:9001 15.42 -15.87 C:13 13.80 -10.97 C:12 13.80 -12.30 C:19 19.75 -15.81 C:11 14.94 -13.00 C:6 20.57 -12.30 C:3 18.38 -9.27 C:2 17.04 -9.66 C:7 19.75 -13.49 C:9 16.91 -13.49 C:5 20.57 -10.84 C:1 16.07 -10.97 C:17 18.38 -15.40 C:10 16.07 -12.30 C:8 18.38 -14.00 39 1 -2 2 24 1 3 25 1 4 26 1 30 5 -1 36 6 -2 37 7 -1 38 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 13 29 2 14 27 1 31 15 -2 36 16 -1 17 27 2 17 37 1 18 32 1 18 36 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 35 21 -1 22 29 1 34 22 -2 23 38 1 40 23 -2 27 28 1 28 30 1 29 38 1 30 39 1 31 34 1 31 36 1 32 33 1 33 37 1 34 40 1 35 39 1 35 40 1 37 39 1 38 40 1', '40 43 H 16.82 -11.81 C 19.59 -5.75 C 14.60 -6.87 C 16.07 -17.11 C 14.94 -14.39 C 21.92 -11.26 C 16.07 -9.37 C 17.22 -16.20 O 20.79 -7.85 O 14.26 -9.27 O 14.02 -15.81 O 12.59 -13.00 O 20.19 -17.11 O 12.59 -10.28 O 21.92 -12.67 O 21.55 -9.84 C 14.94 -10.28 C 19.75 -9.66 O 18.38 -7.85 O 16.51 -8.36 O 16.17 -14.69 O 20.57 -14.69 O 19.59 -14.69 C 19.59 -7.15 C 15.12 -8.17 C 15.42 -15.87 C 13.80 -10.97 C 13.80 -12.30 C 19.75 -15.81 C 14.94 -13.00 C 20.57 -12.30 C 18.38 -9.27 C 17.04 -9.66 C 19.75 -13.49 C 16.91 -13.49 C 20.57 -10.84 C 16.07 -10.97 C 18.38 -15.40 C 16.07 -12.30 C 18.38 -14.00 39 1 -2 2 24 1 3 25 1 4 26 1 30 5 -1 36 6 -2 37 7 -1 38 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 13 29 2 14 27 1 31 15 -2 36 16 -1 17 27 2 17 37 1 18 32 1 18 36 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 35 21 -1 22 29 1 34 22 -2 23 38 1 40 23 -2 27 28 1 28 30 1 29 38 1 30 39 1 31 34 1 31 36 1 32 33 1 33 37 1 34 40 1 35 39 1 35 40 1 37 39 1 38 40 1', '40 43 H 16.82 -11.81 C:21 19.59 -5.75 C:22 14.60 -6.87 C:21 16.07 -17.11 C:15 14.94 -14.39 C:22 21.92 -11.26 C:18 16.07 -9.37 C:10 17.22 -16.20 O 20.79 -7.85 O 14.26 -9.27 O 14.02 -15.81 O 12.59 -13.00 O 20.19 -17.11 O 12.59 -10.28 O 21.92 -12.67 O 21.55 -9.84 C:150 14.94 -10.28 C:38 19.75 -9.66 O 18.38 -7.85 O 16.51 -8.36 O 16.17 -14.69 O 20.57 -14.69 O 19.59 -14.69 C:170 19.59 -7.15 C:169 15.12 -8.17 C:170 15.42 -15.87 C:130 13.80 -10.97 C:193 13.80 -12.30 C:170 19.75 -15.81 C:43 14.94 -13.00 C:63 20.57 -12.30 C:71 18.38 -9.27 C:80 17.04 -9.66 C:76 19.75 -13.49 C:66 16.91 -13.49 C:59 20.57 -10.84 C:46 16.07 -10.97 C:60 18.38 -15.40 C:40 16.07 -12.30 C:69 18.38 -14.00 39 1 -2 2 24 1 3 25 1 4 26 1 30 5 -1 36 6 -2 37 7 -1 38 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 13 29 2 14 27 1 31 15 -2 36 16 -1 17 27 2 17 37 1 18 32 1 18 36 1 19 24 1 32 19 -1 20 25 1 33 20 -1 21 26 1 35 21 -1 22 29 1 34 22 -2 23 38 1 40 23 -2 27 28 1 28 30 1 29 38 1 30 39 1 31 34 1 31 36 1 32 33 1 33 37 1 34 40 1 35 39 1 35 40 1 37 39 1 38 40 1', 'C26H34O13', 554.278, 'C', 'tt04_8975_1', 4025, '', 'Briareum excavatum,', '1', 45, NULL, NULL),
(16036, 'Briaexcavatolide Y', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C:12](=O)[CH:13]=[CH:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C@@:5]([CH3:16])(O)[C@H:6](O)[C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)C(=O)C=C[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@](C)(O)[C@H](O)[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:42]14[C@@H:40]([CH3:15])[C:201](=O)[CH:126]=[CH:155][C@:43]1([CH3:18])[C@@H:81](O[C:170]([CH3:22])=O)[C@@H:71](O[C:170]([CH3:22])=O)[CH2:33][C@@:59]([CH3:21])(O)[C@H:63](O)[C@@H:76]2O[C:170](=O)[C@@:60]3([CH3:10])O[C@:69]23[C@H:66]4O[C:169]([CH3:22])=O', '39 42 H 16.82 -11.81 C:3002 19.58 -5.75 C:2002 14.60 -6.87 C:9002 16.07 -17.11 C:20 14.94 -14.39 C:16 21.91 -11.26 C:15 16.07 -9.37 C:18 17.22 -16.20 O 20.78 -7.85 O 14.26 -9.27 O 14.02 -15.81 O 12.59 -13.00 O 20.18 -17.11 O 21.91 -12.67 O 21.54 -9.84 C:13 13.80 -10.97 C:14 14.94 -10.28 C:4 19.74 -9.66 O 18.37 -7.85 O 16.51 -8.36 O 16.17 -14.69 O 20.56 -14.69 O 19.58 -14.69 C:3001 19.58 -7.15 C:2001 15.12 -8.17 C:9001 15.42 -15.87 C:12 13.80 -12.30 C:19 19.74 -15.81 C:11 14.94 -13.00 C:6 20.56 -12.30 C:3 18.37 -9.27 C:2 17.04 -9.66 C:7 19.74 -13.49 C:9 16.91 -13.49 C:5 20.56 -10.84 C:1 16.07 -10.97 C:17 18.37 -15.40 C:10 16.07 -12.30 C:8 18.37 -14.00 38 1 -2 2 24 1 3 25 1 4 26 1 29 5 -1 35 6 -2 36 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 27 2 13 28 2 30 14 -2 35 15 -1 16 17 2 16 27 1 17 36 1 18 31 1 18 35 1 19 24 1 31 19 -1 20 25 1 32 20 -1 21 26 1 34 21 -1 22 28 1 33 22 -2 23 37 1 39 23 -2 27 29 1 28 37 1 29 38 1 30 33 1 30 35 1 31 32 1 32 36 1 33 39 1 34 38 1 34 39 1 36 38 1 37 39 1', '39 42 H 16.82 -11.81 C 19.58 -5.75 C 14.60 -6.87 C 16.07 -17.11 C 14.94 -14.39 C 21.91 -11.26 C 16.07 -9.37 C 17.22 -16.20 O 20.78 -7.85 O 14.26 -9.27 O 14.02 -15.81 O 12.59 -13.00 O 20.18 -17.11 O 21.91 -12.67 O 21.54 -9.84 C 13.80 -10.97 C 14.94 -10.28 C 19.74 -9.66 O 18.37 -7.85 O 16.51 -8.36 O 16.17 -14.69 O 20.56 -14.69 O 19.58 -14.69 C 19.58 -7.15 C 15.12 -8.17 C 15.42 -15.87 C 13.80 -12.30 C 19.74 -15.81 C 14.94 -13.00 C 20.56 -12.30 C 18.37 -9.27 C 17.04 -9.66 C 19.74 -13.49 C 16.91 -13.49 C 20.56 -10.84 C 16.07 -10.97 C 18.37 -15.40 C 16.07 -12.30 C 18.37 -14.00 38 1 -2 2 24 1 3 25 1 4 26 1 29 5 -1 35 6 -2 36 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 27 2 13 28 2 30 14 -2 35 15 -1 16 17 2 16 27 1 17 36 1 18 31 1 18 35 1 19 24 1 31 19 -1 20 25 1 32 20 -1 21 26 1 34 21 -1 22 28 1 33 22 -2 23 37 1 39 23 -2 27 29 1 28 37 1 29 38 1 30 33 1 30 35 1 31 32 1 32 36 1 33 39 1 34 38 1 34 39 1 36 38 1 37 39 1', '39 42 H 16.82 -11.81 C:22 19.58 -5.75 C:22 14.60 -6.87 C:22 16.07 -17.11 C:15 14.94 -14.39 C:21 21.91 -11.26 C:18 16.07 -9.37 C:10 17.22 -16.20 O 20.78 -7.85 O 14.26 -9.27 O 14.02 -15.81 O 12.59 -13.00 O 20.18 -17.11 O 21.91 -12.67 O 21.54 -9.84 C:126 13.80 -10.97 C:155 14.94 -10.28 C:33 19.74 -9.66 O 18.37 -7.85 O 16.51 -8.36 O 16.17 -14.69 O 20.56 -14.69 O 19.58 -14.69 C:170 19.58 -7.15 C:170 15.12 -8.17 C:169 15.42 -15.87 C:201 13.80 -12.30 C:170 19.74 -15.81 C:40 14.94 -13.00 C:63 20.56 -12.30 C:71 18.37 -9.27 C:81 17.04 -9.66 C:76 19.74 -13.49 C:66 16.91 -13.49 C:59 20.56 -10.84 C:43 16.07 -10.97 C:60 18.37 -15.40 C:42 16.07 -12.30 C:69 18.37 -14.00 38 1 -2 2 24 1 3 25 1 4 26 1 29 5 -1 35 6 -2 36 7 -1 37 8 -1 9 24 2 10 25 2 11 26 2 12 27 2 13 28 2 30 14 -2 35 15 -1 16 17 2 16 27 1 17 36 1 18 31 1 18 35 1 19 24 1 31 19 -1 20 25 1 32 20 -1 21 26 1 34 21 -1 22 28 1 33 22 -2 23 37 1 39 23 -2 27 29 1 28 37 1 29 38 1 30 33 1 30 35 1 31 32 1 32 36 1 33 39 1 34 38 1 34 39 1 36 38 1 37 39 1', 'C26H34O12', 538.279, 'C', 'tt04_8975_2', 4025, '', 'Briareum excavatum,', '1', 45, 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
(16037, 'Briaexcavatolide Z', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C@@H:11]([CH3:20])[C@@H:12](O[C:12001]([CH3:12002])=O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH3:3004])[CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@:17]([CH3:18])(O)[C@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13[C@@H](C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CCC)CC(C)=C[C@@H]2OC(=O)[C@](C)(O)[C@]2(O)[C@H]3OC(C)=O', '[H][C@:43]13[C@@H:35]([CH3:15])[C@@H:71](O[C:171]([CH3:21])=O)[CH2:32][C@H:74](O[C:170]([CH3:21])=O)[C@:43]1([CH3:20])[C@@H:73](O[C:169]([CH3:22])=O)[C@@H:73](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[CH2:33][C:142]([CH3:23])=[CH:125][C@@H:86]2O[C:176](=O)[C@:77]([CH3:17])(O)[C@:82]2(O)[C@H:65]3O[C:169]([CH3:21])=O', '47 49 H 18.00 -12.83 C:3004 21.96 -4.69 C:12002 11.35 -14.06 C:14002 14.90 -7.82 C:2002 17.64 -7.03 C:9002 17.35 -18.13 C:16 23.14 -11.30 C:20 16.15 -15.43 C:18 18.40 -17.22 C:15 17.35 -10.41 O 12.55 -11.95 O 13.68 -9.96 O 19.67 -8.27 O 15.27 -16.93 O 22.01 -8.90 O 21.39 -18.13 O 19.55 -17.82 O 19.55 -13.63 C:6 21.76 -13.34 C:3003 21.96 -6.09 C:3002 20.80 -6.82 C:4 20.94 -10.70 C:13 15.01 -11.95 O 13.78 -14.06 O 16.15 -9.96 O 17.56 -9.46 O 19.55 -8.90 O 17.35 -15.74 O 21.76 -15.74 C:12001 12.55 -13.34 C:14001 14.90 -9.23 C:2001 18.30 -8.27 C:9001 16.67 -16.93 C:5 21.76 -11.86 C:3001 20.80 -8.27 C:19 20.94 -16.84 C:11 16.15 -14.06 C:12 15.01 -13.34 C:3 19.55 -10.30 C:7 20.94 -14.52 C:14 16.15 -11.30 C:2 18.22 -10.70 C:9 18.09 -14.52 C:17 19.55 -16.44 C:10 17.35 -13.34 C:1 17.35 -11.95 C:8 19.55 -15.04 45 1 -2 2 20 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 37 8 -1 44 9 -1 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 44 17 -2 47 18 -1 19 34 2 19 40 1 20 21 1 21 35 1 22 34 1 22 39 1 23 38 1 23 41 1 24 30 1 38 24 -1 25 31 1 41 25 -2 26 32 1 42 26 -1 27 35 1 39 27 -1 28 33 1 43 28 -1 29 36 1 40 29 -2 36 44 1 37 38 1 37 45 1 39 42 1 40 47 1 41 46 1 42 46 1 43 45 1 43 47 1 44 47 1 45 46 1', '47 49 H 18.00 -12.83 C 21.96 -4.69 C 11.35 -14.06 C 14.90 -7.82 C 17.64 -7.03 C 17.35 -18.13 C 23.14 -11.30 C 16.15 -15.43 C 18.40 -17.22 C 17.35 -10.41 O 12.55 -11.95 O 13.68 -9.96 O 19.67 -8.27 O 15.27 -16.93 O 22.01 -8.90 O 21.39 -18.13 O 19.55 -17.82 O 19.55 -13.63 C 21.76 -13.34 C 21.96 -6.09 C 20.80 -6.82 C 20.94 -10.70 C 15.01 -11.95 O 13.78 -14.06 O 16.15 -9.96 O 17.56 -9.46 O 19.55 -8.90 O 17.35 -15.74 O 21.76 -15.74 C 12.55 -13.34 C 14.90 -9.23 C 18.30 -8.27 C 16.67 -16.93 C 21.76 -11.86 C 20.80 -8.27 C 20.94 -16.84 C 16.15 -14.06 C 15.01 -13.34 C 19.55 -10.30 C 20.94 -14.52 C 16.15 -11.30 C 18.22 -10.70 C 18.09 -14.52 C 19.55 -16.44 C 17.35 -13.34 C 17.35 -11.95 C 19.55 -15.04 45 1 -2 2 20 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 37 8 -1 44 9 -1 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 44 17 -2 47 18 -1 19 34 2 19 40 1 20 21 1 21 35 1 22 34 1 22 39 1 23 38 1 23 41 1 24 30 1 38 24 -1 25 31 1 41 25 -2 26 32 1 42 26 -1 27 35 1 39 27 -1 28 33 1 43 28 -1 29 36 1 40 29 -2 36 44 1 37 38 1 37 45 1 39 42 1 40 47 1 41 46 1 42 46 1 43 45 1 43 47 1 44 47 1 45 46 1', '47 49 H 18.00 -12.83 C:14 21.96 -4.69 C:21 11.35 -14.06 C:21 14.90 -7.82 C:22 17.64 -7.03 C:21 17.35 -18.13 C:23 23.14 -11.30 C:15 16.15 -15.43 C:17 18.40 -17.22 C:20 17.35 -10.41 O 12.55 -11.95 O 13.68 -9.96 O 19.67 -8.27 O 15.27 -16.93 O 22.01 -8.90 O 21.39 -18.13 O 19.55 -17.82 O 19.55 -13.63 C:125 21.76 -13.34 C:18 21.96 -6.09 C:36 20.80 -6.82 C:33 20.94 -10.70 C:32 15.01 -11.95 O 13.78 -14.06 O 16.15 -9.96 O 17.56 -9.46 O 19.55 -8.90 O 17.35 -15.74 O 21.76 -15.74 C:171 12.55 -13.34 C:170 14.90 -9.23 C:169 18.30 -8.27 C:169 16.67 -16.93 C:142 21.76 -11.86 C:173 20.80 -8.27 C:176 20.94 -16.84 C:35 16.15 -14.06 C:71 15.01 -13.34 C:73 19.55 -10.30 C:86 20.94 -14.52 C:74 16.15 -11.30 C:73 18.22 -10.70 C:65 18.09 -14.52 C:77 19.55 -16.44 C:43 17.35 -13.34 C:43 17.35 -11.95 C:82 19.55 -15.04 45 1 -2 2 20 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 37 8 -1 44 9 -1 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 44 17 -2 47 18 -1 19 34 2 19 40 1 20 21 1 21 35 1 22 34 1 22 39 1 23 38 1 23 41 1 24 30 1 38 24 -1 25 31 1 41 25 -2 26 32 1 42 26 -1 27 35 1 39 27 -1 28 33 1 43 28 -1 29 36 1 40 29 -2 36 44 1 37 38 1 37 45 1 39 42 1 40 47 1 41 46 1 42 46 1 43 45 1 43 47 1 44 47 1 45 46 1', 'C32H46O14', 654.342, 'C', 'tt04_8975_3', 4025, '', 'Briareum excavatum,', '1', 45, NULL, NULL),
(16038, 'Juncin R', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]Cl)[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001](=O)[CH2:14002][CH:14003]([CH3:14005])[CH3:14004])[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(CCl)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:33]23[C@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:175](=O)O[C@H:79]1[CH:126]=[C:140]([CH2:45]Cl)[CH:128]=[CH:132][C@H:74](O[C:170]([CH3:21])=O)[C@@:47]2([CH3:14])[C@@H:73](O[C:172](=O)[CH2:43][CH:25]([CH3:22])[CH3:22])[C@@H:67](O[C:172]([CH3:22])=O)[C@@H:73](O[C:170]([CH3:21])=O)[C@:58]34[CH2:49]O4', '49 52 H 17.51 -12.30 C:2002 17.36 -6.46 C:13002 10.86 -10.64 C:12002 10.86 -13.54 C:9002 16.78 -17.60 C:14005 12.00 -7.31 C:14004 13.21 -5.20 C:18 17.91 -16.67 C:15 16.78 -9.87 O 19.31 -7.74 O 12.07 -8.58 O 12.07 -11.41 O 14.72 -16.33 O 13.21 -9.39 O 20.88 -17.60 O 19.08 -13.09 Cl 23.68 -11.72 C:4 20.43 -10.16 C:3 19.08 -9.75 C:6 21.24 -12.79 C:16 22.61 -10.74 C:20 15.64 -14.86 C:14002 14.43 -7.31 O 14.43 -14.16 O 17.14 -8.88 O 13.29 -10.74 O 13.29 -13.54 O 21.24 -15.16 O 16.89 -15.16 O 15.64 -9.39 C:2001 17.91 -7.74 C:13001 12.07 -9.99 C:12001 12.07 -12.85 C:9001 16.12 -16.33 C:14001 14.43 -8.69 C:19 20.43 -16.33 C:5 21.24 -11.33 C:14003 13.21 -6.60 C:17 19.08 -15.86 C:2 17.73 -10.16 C:7 20.43 -13.97 C:13 14.50 -11.41 C:14 15.64 -10.74 C:12 14.50 -12.79 C:9 17.60 -13.97 C:10 16.78 -12.85 C:1 16.78 -11.41 C:8 19.08 -14.48 C:11 15.64 -13.46 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 38 1 7 38 1 39 8 -2 47 9 -1 10 31 2 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 48 16 -2 17 21 1 18 19 2 18 37 1 19 40 1 20 37 2 20 41 1 21 37 1 22 24 1 49 22 -1 23 35 1 23 38 1 49 24 -2 25 31 1 40 25 -1 26 32 1 42 26 -2 27 33 1 44 27 -2 28 36 1 41 28 -2 29 34 1 45 29 -1 30 35 1 43 30 -2 36 39 1 39 48 1 40 47 1 41 48 1 42 43 1 42 44 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', '49 52 H 17.51 -12.30 C 17.36 -6.46 C 10.86 -10.64 C 10.86 -13.54 C 16.78 -17.60 C 12.00 -7.31 C 13.21 -5.20 C 17.91 -16.67 C 16.78 -9.87 O 19.31 -7.74 O 12.07 -8.58 O 12.07 -11.41 O 14.72 -16.33 O 13.21 -9.39 O 20.88 -17.60 O 19.08 -13.09 Cl 23.68 -11.72 C 20.43 -10.16 C 19.08 -9.75 C 21.24 -12.79 C 22.61 -10.74 C 15.64 -14.86 C 14.43 -7.31 O 14.43 -14.16 O 17.14 -8.88 O 13.29 -10.74 O 13.29 -13.54 O 21.24 -15.16 O 16.89 -15.16 O 15.64 -9.39 C 17.91 -7.74 C 12.07 -9.99 C 12.07 -12.85 C 16.12 -16.33 C 14.43 -8.69 C 20.43 -16.33 C 21.24 -11.33 C 13.21 -6.60 C 19.08 -15.86 C 17.73 -10.16 C 20.43 -13.97 C 14.50 -11.41 C 15.64 -10.74 C 14.50 -12.79 C 17.60 -13.97 C 16.78 -12.85 C 16.78 -11.41 C 19.08 -14.48 C 15.64 -13.46 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 38 1 7 38 1 39 8 -2 47 9 -1 10 31 2 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 48 16 -2 17 21 1 18 19 2 18 37 1 19 40 1 20 37 2 20 41 1 21 37 1 22 24 1 49 22 -1 23 35 1 23 38 1 49 24 -2 25 31 1 40 25 -1 26 32 1 42 26 -2 27 33 1 44 27 -2 28 36 1 41 28 -2 29 34 1 45 29 -1 30 35 1 43 30 -2 36 39 1 39 48 1 40 47 1 41 48 1 42 43 1 42 44 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', '49 52 H 17.51 -12.30 C:21 17.36 -6.46 C:22 10.86 -10.64 C:21 10.86 -13.54 C:21 16.78 -17.60 C:22 12.00 -7.31 C:22 13.21 -5.20 C:6 17.91 -16.67 C:14 16.78 -9.87 O 19.31 -7.74 O 12.07 -8.58 O 12.07 -11.41 O 14.72 -16.33 O 13.21 -9.39 O 20.88 -17.60 O 19.08 -13.09 Cl 23.68 -11.72 C:128 20.43 -10.16 C:132 19.08 -9.75 C:126 21.24 -12.79 C:45 22.61 -10.74 C:49 15.64 -14.86 C:43 14.43 -7.31 O 14.43 -14.16 O 17.14 -8.88 O 13.29 -10.74 O 13.29 -13.54 O 21.24 -15.16 O 16.89 -15.16 O 15.64 -9.39 C:170 17.91 -7.74 C:172 12.07 -9.99 C:170 12.07 -12.85 C:170 16.12 -16.33 C:172 14.43 -8.69 C:175 20.43 -16.33 C:140 21.24 -11.33 C:25 13.21 -6.60 C:44 19.08 -15.86 C:74 17.73 -10.16 C:79 20.43 -13.97 C:67 14.50 -11.41 C:73 15.64 -10.74 C:73 14.50 -12.79 C:64 17.60 -13.97 C:33 16.78 -12.85 C:47 16.78 -11.41 C:81 19.08 -14.48 C:58 15.64 -13.46 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 38 1 7 38 1 39 8 -2 47 9 -1 10 31 2 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 48 16 -2 17 21 1 18 19 2 18 37 1 19 40 1 20 37 2 20 41 1 21 37 1 22 24 1 49 22 -1 23 35 1 23 38 1 49 24 -2 25 31 1 40 25 -1 26 32 1 42 26 -2 27 33 1 44 27 -2 28 36 1 41 28 -2 29 34 1 45 29 -1 30 35 1 43 30 -2 36 39 1 39 48 1 40 47 1 41 48 1 42 43 1 42 44 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', 'C33H43ClO14', 698.805, 'C', 'tt06_9123_1', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16039, 'Juncin S', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]Cl)[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003]([CH3:12005])[CH3:12004])[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(CCl)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]34CO4', '[H][C@@:33]23[C@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:175](=O)O[C@H:79]1[CH:126]=[C:140]([CH2:45]Cl)[CH:128]=[CH:132][C@H:74](O[C:170]([CH3:21])=O)[C@@:47]2([CH3:14])[C@@H:74](O[C:172]([CH3:22])=O)[C@@H:66](O[C:170]([CH3:21])=O)[C@@H:73](O[C:172](=O)[CH2:44][CH:26]([CH3:22])[CH3:22])[C@:58]34[CH2:49]O4', '49 52 H 18.68 -11.68 C:2002 18.53 -5.84 C:13002 12.04 -10.02 C:14002 15.60 -6.67 C:9002 17.95 -16.98 C:12005 10.83 -10.81 C:12004 9.61 -12.91 C:18 19.08 -16.05 C:15 17.95 -9.25 O 20.48 -7.12 O 13.25 -7.96 O 14.39 -8.77 O 15.89 -15.75 O 13.25 -10.79 O 22.05 -16.98 O 20.25 -12.47 Cl 24.86 -11.10 C:4 21.60 -9.54 C:3 20.25 -9.13 C:6 22.42 -12.21 C:16 23.79 -10.12 C:20 16.81 -14.24 C:12002 12.04 -12.91 O 15.60 -13.54 O 18.31 -8.26 O 14.47 -10.12 O 16.81 -8.77 O 22.42 -14.54 O 18.06 -14.54 O 14.47 -12.91 C:2001 19.08 -7.12 C:13001 13.25 -9.37 C:14001 15.60 -8.07 C:9001 17.29 -15.75 C:12001 13.25 -12.21 C:19 21.60 -15.67 C:5 22.42 -10.71 C:12003 10.83 -12.21 C:17 20.25 -15.24 C:2 18.90 -9.54 C:7 21.60 -13.35 C:13 15.67 -10.79 C:14 16.81 -10.12 C:12 15.67 -12.21 C:9 18.77 -13.35 C:10 17.95 -12.21 C:1 17.95 -10.79 C:8 20.25 -13.86 C:11 16.81 -12.84 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 38 1 7 38 1 39 8 -2 47 9 -1 10 31 2 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 48 16 -2 17 21 1 18 19 2 18 37 1 19 40 1 20 37 2 20 41 1 21 37 1 22 24 1 49 22 -1 23 35 1 23 38 1 49 24 -2 25 31 1 40 25 -1 26 32 1 42 26 -2 27 33 1 43 27 -2 28 36 1 41 28 -2 29 34 1 45 29 -1 30 35 1 44 30 -2 36 39 1 39 48 1 40 47 1 41 48 1 42 43 1 42 44 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', '49 52 H 18.68 -11.68 C 18.53 -5.84 C 12.04 -10.02 C 15.60 -6.67 C 17.95 -16.98 C 10.83 -10.81 C 9.61 -12.91 C 19.08 -16.05 C 17.95 -9.25 O 20.48 -7.12 O 13.25 -7.96 O 14.39 -8.77 O 15.89 -15.75 O 13.25 -10.79 O 22.05 -16.98 O 20.25 -12.47 Cl 24.86 -11.10 C 21.60 -9.54 C 20.25 -9.13 C 22.42 -12.21 C 23.79 -10.12 C 16.81 -14.24 C 12.04 -12.91 O 15.60 -13.54 O 18.31 -8.26 O 14.47 -10.12 O 16.81 -8.77 O 22.42 -14.54 O 18.06 -14.54 O 14.47 -12.91 C 19.08 -7.12 C 13.25 -9.37 C 15.60 -8.07 C 17.29 -15.75 C 13.25 -12.21 C 21.60 -15.67 C 22.42 -10.71 C 10.83 -12.21 C 20.25 -15.24 C 18.90 -9.54 C 21.60 -13.35 C 15.67 -10.79 C 16.81 -10.12 C 15.67 -12.21 C 18.77 -13.35 C 17.95 -12.21 C 17.95 -10.79 C 20.25 -13.86 C 16.81 -12.84 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 38 1 7 38 1 39 8 -2 47 9 -1 10 31 2 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 48 16 -2 17 21 1 18 19 2 18 37 1 19 40 1 20 37 2 20 41 1 21 37 1 22 24 1 49 22 -1 23 35 1 23 38 1 49 24 -2 25 31 1 40 25 -1 26 32 1 42 26 -2 27 33 1 43 27 -2 28 36 1 41 28 -2 29 34 1 45 29 -1 30 35 1 44 30 -2 36 39 1 39 48 1 40 47 1 41 48 1 42 43 1 42 44 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', '49 52 H 18.68 -11.68 C:21 18.53 -5.84 C:21 12.04 -10.02 C:22 15.60 -6.67 C:21 17.95 -16.98 C:22 10.83 -10.81 C:22 9.61 -12.91 C:6 19.08 -16.05 C:14 17.95 -9.25 O 20.48 -7.12 O 13.25 -7.96 O 14.39 -8.77 O 15.89 -15.75 O 13.25 -10.79 O 22.05 -16.98 O 20.25 -12.47 Cl 24.86 -11.10 C:128 21.60 -9.54 C:132 20.25 -9.13 C:126 22.42 -12.21 C:45 23.79 -10.12 C:49 16.81 -14.24 C:44 12.04 -12.91 O 15.60 -13.54 O 18.31 -8.26 O 14.47 -10.12 O 16.81 -8.77 O 22.42 -14.54 O 18.06 -14.54 O 14.47 -12.91 C:170 19.08 -7.12 C:170 13.25 -9.37 C:172 15.60 -8.07 C:170 17.29 -15.75 C:172 13.25 -12.21 C:175 21.60 -15.67 C:140 22.42 -10.71 C:26 10.83 -12.21 C:44 20.25 -15.24 C:74 18.90 -9.54 C:79 21.60 -13.35 C:66 15.67 -10.79 C:74 16.81 -10.12 C:73 15.67 -12.21 C:64 18.77 -13.35 C:33 17.95 -12.21 C:47 17.95 -10.79 C:81 20.25 -13.86 C:58 16.81 -12.84 46 1 -2 2 31 1 3 32 1 4 33 1 5 34 1 6 38 1 7 38 1 39 8 -2 47 9 -1 10 31 2 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 48 16 -2 17 21 1 18 19 2 18 37 1 19 40 1 20 37 2 20 41 1 21 37 1 22 24 1 49 22 -1 23 35 1 23 38 1 49 24 -2 25 31 1 40 25 -1 26 32 1 42 26 -2 27 33 1 43 27 -2 28 36 1 41 28 -2 29 34 1 45 29 -1 30 35 1 44 30 -2 36 39 1 39 48 1 40 47 1 41 48 1 42 43 1 42 44 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', 'C33H43ClO14', 698.805, 'C', 'tt06_9123_2', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16040, 'Juncin T', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O)[CH:4]=[CH:3][C@H:2](O[C:2001](=O)[CH2:2002]O[C:2003](=O)[CH2:2004][CH2:2005][CH:2006]([CH3:2601])[CH3:2007])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(CO)C=C[C@H](OC(=O)COC(=O)CCC(C)C)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:33]23[C@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:177](=O)O[C@H:79]1[CH:123]=[C:140]([CH2:63]O)[CH:129]=[CH:131][C@H:76](O[C:171](=O)[CH2:61]O[C:172](=O)[CH2:43][CH2:30][CH:26]([CH3:22])[CH3:22])[C@@:46]2([CH3:14])[C@@H:74](O[C:170]([CH3:22])=O)[C@@H:67](O[C:170]([CH3:21])=O)[C@@H:73](O[C:170]([CH3:21])=O)[C@:58]34[CH2:49]O4', '54 57 H 17.46 -15.36 C:13002 10.83 -13.70 C:14002 14.39 -10.34 C:12002 10.83 -16.60 C:9002 16.73 -20.65 C:2601 19.98 -3.53 C:2007 18.00 -2.25 C:18 17.86 -19.73 C:15 16.73 -12.94 O 12.04 -11.64 O 13.18 -12.46 O 12.04 -14.47 O 14.68 -19.39 O 16.14 -7.06 O 19.26 -10.79 O 20.84 -20.65 O 23.68 -14.78 O 19.04 -16.15 C:4 20.39 -13.23 C:3 19.04 -12.82 C:6 21.21 -15.85 C:16 22.59 -13.80 C:2004 18.35 -5.94 C:2005 17.77 -4.67 C:2002 17.31 -9.51 C:20 15.59 -17.91 O 18.12 -8.37 O 14.39 -17.22 O 13.26 -13.80 O 17.09 -11.94 O 15.59 -12.46 O 13.26 -16.60 O 16.84 -18.21 O 21.21 -18.21 C:13001 12.04 -13.06 C:14001 14.39 -11.75 C:12001 12.04 -15.91 C:9001 16.07 -19.39 C:2003 17.55 -7.06 C:2001 17.86 -10.79 C:5 21.21 -14.39 C:19 20.39 -19.39 C:2006 18.58 -3.53 C:17 19.04 -18.91 C:2 17.68 -13.23 C:7 20.39 -17.03 C:13 14.46 -14.47 C:14 15.59 -13.80 C:12 14.46 -15.85 C:9 17.55 -17.03 C:10 16.73 -15.91 C:1 16.73 -14.47 C:8 19.04 -17.54 C:11 15.59 -16.52 51 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 6 43 1 7 43 1 44 8 -2 52 9 -1 10 35 2 11 36 2 12 37 2 13 38 2 14 39 2 15 40 2 16 42 2 17 22 1 53 18 -2 19 20 2 19 41 1 20 45 1 21 41 2 21 46 1 22 41 1 23 24 1 23 39 1 24 43 1 25 27 1 25 40 1 26 28 1 54 26 -1 27 39 1 54 28 -2 29 35 1 47 29 -2 30 40 1 45 30 -1 31 36 1 48 31 -2 32 37 1 49 32 -2 33 38 1 50 33 -1 34 42 1 46 34 -2 42 44 1 44 53 1 45 52 1 46 53 1 47 48 1 47 49 1 48 52 1 49 54 1 50 51 1 50 53 1 51 52 1 51 54 1', '54 57 H 17.46 -15.36 C 10.83 -13.70 C 14.39 -10.34 C 10.83 -16.60 C 16.73 -20.65 C 19.98 -3.53 C 18.00 -2.25 C 17.86 -19.73 C 16.73 -12.94 O 12.04 -11.64 O 13.18 -12.46 O 12.04 -14.47 O 14.68 -19.39 O 16.14 -7.06 O 19.26 -10.79 O 20.84 -20.65 O 23.68 -14.78 O 19.04 -16.15 C 20.39 -13.23 C 19.04 -12.82 C 21.21 -15.85 C 22.59 -13.80 C 18.35 -5.94 C 17.77 -4.67 C 17.31 -9.51 C 15.59 -17.91 O 18.12 -8.37 O 14.39 -17.22 O 13.26 -13.80 O 17.09 -11.94 O 15.59 -12.46 O 13.26 -16.60 O 16.84 -18.21 O 21.21 -18.21 C 12.04 -13.06 C 14.39 -11.75 C 12.04 -15.91 C 16.07 -19.39 C 17.55 -7.06 C 17.86 -10.79 C 21.21 -14.39 C 20.39 -19.39 C 18.58 -3.53 C 19.04 -18.91 C 17.68 -13.23 C 20.39 -17.03 C 14.46 -14.47 C 15.59 -13.80 C 14.46 -15.85 C 17.55 -17.03 C 16.73 -15.91 C 16.73 -14.47 C 19.04 -17.54 C 15.59 -16.52 51 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 6 43 1 7 43 1 44 8 -2 52 9 -1 10 35 2 11 36 2 12 37 2 13 38 2 14 39 2 15 40 2 16 42 2 17 22 1 53 18 -2 19 20 2 19 41 1 20 45 1 21 41 2 21 46 1 22 41 1 23 24 1 23 39 1 24 43 1 25 27 1 25 40 1 26 28 1 54 26 -1 27 39 1 54 28 -2 29 35 1 47 29 -2 30 40 1 45 30 -1 31 36 1 48 31 -2 32 37 1 49 32 -2 33 38 1 50 33 -1 34 42 1 46 34 -2 42 44 1 44 53 1 45 52 1 46 53 1 47 48 1 47 49 1 48 52 1 49 54 1 50 51 1 50 53 1 51 52 1 51 54 1', '54 57 H 17.46 -15.36 C:21 10.83 -13.70 C:22 14.39 -10.34 C:21 10.83 -16.60 C:21 16.73 -20.65 C:22 19.98 -3.53 C:22 18.00 -2.25 C:6 17.86 -19.73 C:14 16.73 -12.94 O 12.04 -11.64 O 13.18 -12.46 O 12.04 -14.47 O 14.68 -19.39 O 16.14 -7.06 O 19.26 -10.79 O 20.84 -20.65 O 23.68 -14.78 O 19.04 -16.15 C:129 20.39 -13.23 C:131 19.04 -12.82 C:123 21.21 -15.85 C:63 22.59 -13.80 C:43 18.35 -5.94 C:30 17.77 -4.67 C:61 17.31 -9.51 C:49 15.59 -17.91 O 18.12 -8.37 O 14.39 -17.22 O 13.26 -13.80 O 17.09 -11.94 O 15.59 -12.46 O 13.26 -16.60 O 16.84 -18.21 O 21.21 -18.21 C:170 12.04 -13.06 C:170 14.39 -11.75 C:170 12.04 -15.91 C:170 16.07 -19.39 C:172 17.55 -7.06 C:171 17.86 -10.79 C:140 21.21 -14.39 C:177 20.39 -19.39 C:26 18.58 -3.53 C:44 19.04 -18.91 C:76 17.68 -13.23 C:79 20.39 -17.03 C:67 14.46 -14.47 C:74 15.59 -13.80 C:73 14.46 -15.85 C:64 17.55 -17.03 C:33 16.73 -15.91 C:46 16.73 -14.47 C:81 19.04 -17.54 C:58 15.59 -16.52 51 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 6 43 1 7 43 1 44 8 -2 52 9 -1 10 35 2 11 36 2 12 37 2 13 38 2 14 39 2 15 40 2 16 42 2 17 22 1 53 18 -2 19 20 2 19 41 1 20 45 1 21 41 2 21 46 1 22 41 1 23 24 1 23 39 1 24 43 1 25 27 1 25 40 1 26 28 1 54 26 -1 27 39 1 54 28 -2 29 35 1 47 29 -2 30 40 1 45 30 -1 31 36 1 48 31 -2 32 37 1 49 32 -2 33 38 1 50 33 -1 34 42 1 46 34 -2 42 44 1 44 53 1 45 52 1 46 53 1 47 48 1 47 49 1 48 52 1 49 54 1 50 51 1 50 53 1 51 52 1 51 54 1', 'C36H48O17', 752.383, 'C', 'tt06_9123_3', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16041, 'Juncin U', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O[CH3:16001])[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13004])[CH3:13005])[C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(COC)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:33]23[C@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:175](=O)O[C@H:79]1[CH:123]=[C:142]([CH2:72]O[CH3:53])[CH:129]=[CH:131][C@H:74](O[C:170]([CH3:21])=O)[C@@:47]2([CH3:14])[C@@H:74](O[C:170]([CH3:22])=O)[C@@H:66](O[C:172](=O)[CH2:43][CH:25]([CH3:22])[CH3:22])[C@@H:73](O[C:170]([CH3:21])=O)[C@:58]34[CH2:49]O4', '50 53 H 18.02 -11.72 C:16001 25.56 -10.75 C:2002 17.87 -5.86 C:14002 14.94 -6.69 C:12002 11.38 -12.96 C:9002 17.28 -17.00 C:13004 8.97 -9.97 C:13005 10.20 -7.91 C:18 18.42 -16.09 C:15 17.28 -9.31 O 19.83 -7.14 O 13.73 -8.81 O 12.59 -10.83 O 15.23 -15.75 O 12.59 -7.99 O 21.40 -17.00 O 19.61 -12.51 C:4 20.95 -9.58 C:3 19.61 -9.17 C:6 21.77 -12.21 C:16 23.15 -10.16 C:13002 11.38 -10.06 C:20 16.14 -14.27 O 24.24 -11.14 O 14.94 -13.58 O 17.64 -8.29 O 13.81 -10.16 O 16.14 -8.81 O 13.81 -12.96 O 21.77 -14.57 O 17.39 -14.57 C:2001 18.42 -7.14 C:14001 14.94 -8.10 C:12001 12.59 -12.27 C:9001 16.62 -15.75 C:13001 12.59 -9.41 C:5 21.77 -10.75 C:19 20.95 -15.75 C:13003 10.20 -9.31 C:17 19.61 -15.27 C:2 18.24 -9.58 C:7 20.95 -13.39 C:13 15.01 -10.83 C:14 16.14 -10.16 C:12 15.01 -12.21 C:9 18.11 -13.39 C:10 17.28 -12.27 C:1 17.28 -10.83 C:8 19.61 -13.90 C:11 16.14 -12.88 47 1 -2 2 24 1 3 32 1 4 33 1 5 34 1 6 35 1 7 39 1 8 39 1 40 9 -2 48 10 -1 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 16 38 2 49 17 -2 18 19 2 18 37 1 19 41 1 20 37 2 20 42 1 21 24 1 21 37 1 22 36 1 22 39 1 23 25 1 50 23 -1 50 25 -2 26 32 1 41 26 -1 27 36 1 43 27 -2 28 33 1 44 28 -2 29 34 1 45 29 -2 30 38 1 42 30 -2 31 35 1 46 31 -1 38 40 1 40 49 1 41 48 1 42 49 1 43 44 1 43 45 1 44 48 1 45 50 1 46 47 1 46 49 1 47 48 1 47 50 1', '50 53 H 18.02 -11.72 C 25.56 -10.75 C 17.87 -5.86 C 14.94 -6.69 C 11.38 -12.96 C 17.28 -17.00 C 8.97 -9.97 C 10.20 -7.91 C 18.42 -16.09 C 17.28 -9.31 O 19.83 -7.14 O 13.73 -8.81 O 12.59 -10.83 O 15.23 -15.75 O 12.59 -7.99 O 21.40 -17.00 O 19.61 -12.51 C 20.95 -9.58 C 19.61 -9.17 C 21.77 -12.21 C 23.15 -10.16 C 11.38 -10.06 C 16.14 -14.27 O 24.24 -11.14 O 14.94 -13.58 O 17.64 -8.29 O 13.81 -10.16 O 16.14 -8.81 O 13.81 -12.96 O 21.77 -14.57 O 17.39 -14.57 C 18.42 -7.14 C 14.94 -8.10 C 12.59 -12.27 C 16.62 -15.75 C 12.59 -9.41 C 21.77 -10.75 C 20.95 -15.75 C 10.20 -9.31 C 19.61 -15.27 C 18.24 -9.58 C 20.95 -13.39 C 15.01 -10.83 C 16.14 -10.16 C 15.01 -12.21 C 18.11 -13.39 C 17.28 -12.27 C 17.28 -10.83 C 19.61 -13.90 C 16.14 -12.88 47 1 -2 2 24 1 3 32 1 4 33 1 5 34 1 6 35 1 7 39 1 8 39 1 40 9 -2 48 10 -1 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 16 38 2 49 17 -2 18 19 2 18 37 1 19 41 1 20 37 2 20 42 1 21 24 1 21 37 1 22 36 1 22 39 1 23 25 1 50 23 -1 50 25 -2 26 32 1 41 26 -1 27 36 1 43 27 -2 28 33 1 44 28 -2 29 34 1 45 29 -2 30 38 1 42 30 -2 31 35 1 46 31 -1 38 40 1 40 49 1 41 48 1 42 49 1 43 44 1 43 45 1 44 48 1 45 50 1 46 47 1 46 49 1 47 48 1 47 50 1', '50 53 H 18.02 -11.72 C:53 25.56 -10.75 C:21 17.87 -5.86 C:22 14.94 -6.69 C:21 11.38 -12.96 C:21 17.28 -17.00 C:22 8.97 -9.97 C:22 10.20 -7.91 C:6 18.42 -16.09 C:14 17.28 -9.31 O 19.83 -7.14 O 13.73 -8.81 O 12.59 -10.83 O 15.23 -15.75 O 12.59 -7.99 O 21.40 -17.00 O 19.61 -12.51 C:129 20.95 -9.58 C:131 19.61 -9.17 C:123 21.77 -12.21 C:72 23.15 -10.16 C:43 11.38 -10.06 C:49 16.14 -14.27 O 24.24 -11.14 O 14.94 -13.58 O 17.64 -8.29 O 13.81 -10.16 O 16.14 -8.81 O 13.81 -12.96 O 21.77 -14.57 O 17.39 -14.57 C:170 18.42 -7.14 C:170 14.94 -8.10 C:170 12.59 -12.27 C:170 16.62 -15.75 C:172 12.59 -9.41 C:142 21.77 -10.75 C:175 20.95 -15.75 C:25 10.20 -9.31 C:44 19.61 -15.27 C:74 18.24 -9.58 C:79 20.95 -13.39 C:66 15.01 -10.83 C:74 16.14 -10.16 C:73 15.01 -12.21 C:64 18.11 -13.39 C:33 17.28 -12.27 C:47 17.28 -10.83 C:81 19.61 -13.90 C:58 16.14 -12.88 47 1 -2 2 24 1 3 32 1 4 33 1 5 34 1 6 35 1 7 39 1 8 39 1 40 9 -2 48 10 -1 11 32 2 12 33 2 13 34 2 14 35 2 15 36 2 16 38 2 49 17 -2 18 19 2 18 37 1 19 41 1 20 37 2 20 42 1 21 24 1 21 37 1 22 36 1 22 39 1 23 25 1 50 23 -1 50 25 -2 26 32 1 41 26 -1 27 36 1 43 27 -2 28 33 1 44 28 -2 29 34 1 45 29 -2 30 38 1 42 30 -2 31 35 1 46 31 -1 38 40 1 40 49 1 41 48 1 42 49 1 43 44 1 43 45 1 44 48 1 45 50 1 46 47 1 46 49 1 47 48 1 47 50 1', 'C34H46O15', 694.363, 'C', 'tt06_9123_4', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16042, 'Juncin V', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O[CH3:16001])[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(COC)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@@H](OC(C)=O)[C@@H](O)[C@]34CO4', '[H][C@@:31]23[C@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:176](=O)O[C@H:79]1[CH:123]=[C:141]([CH2:73]O[CH3:53])[CH:128]=[CH:132][C@H:76](O[C:170]([CH3:21])=O)[C@@:48]2([CH3:14])[C@@H:77](O)[C@@H:68](O[C:171]([CH3:22])=O)[C@@H:76](O)[C@:60]34[CH2:49]O4', '41 44 H 16.80 -11.73 C:16001 24.34 -10.76 C:2002 16.65 -5.86 C:13002 10.16 -10.07 C:9002 16.06 -17.01 C:18 17.20 -16.10 C:15 16.06 -9.32 O 18.61 -7.14 O 11.37 -7.99 O 14.01 -15.76 O 20.18 -17.01 O 14.92 -8.82 O 12.59 -12.97 O 18.39 -12.52 C:4 19.73 -9.59 C:3 18.39 -9.18 C:6 20.55 -12.22 C:16 21.93 -10.17 C:20 14.92 -14.28 O 23.02 -11.15 O 13.72 -13.59 O 16.42 -8.30 O 12.59 -10.17 O 16.17 -14.58 O 20.55 -14.58 C:2001 17.20 -7.14 C:13001 11.37 -9.42 C:9001 15.40 -15.76 C:5 20.55 -10.76 C:19 19.73 -15.76 C:17 18.39 -15.28 C:14 14.92 -10.17 C:12 13.79 -12.22 C:2 17.02 -9.59 C:7 19.73 -13.40 C:13 13.79 -10.84 C:9 16.89 -13.40 C:10 16.06 -12.28 C:1 16.06 -10.84 C:8 18.39 -13.91 C:11 14.92 -12.89 38 1 -2 2 20 1 3 26 1 4 27 1 5 28 1 31 6 -2 39 7 -1 8 26 2 9 27 2 10 28 2 11 30 2 32 12 -2 33 13 -2 40 14 -2 15 16 2 15 29 1 16 34 1 17 29 2 17 35 1 18 20 1 18 29 1 19 21 1 41 19 -1 41 21 -2 22 26 1 34 22 -1 23 27 1 36 23 -2 24 28 1 37 24 -1 25 30 1 35 25 -2 30 31 1 31 40 1 32 36 1 32 39 1 33 36 1 33 41 1 34 39 1 35 40 1 37 38 1 37 40 1 38 39 1 38 41 1', '41 44 H 16.80 -11.73 C 24.34 -10.76 C 16.65 -5.86 C 10.16 -10.07 C 16.06 -17.01 C 17.20 -16.10 C 16.06 -9.32 O 18.61 -7.14 O 11.37 -7.99 O 14.01 -15.76 O 20.18 -17.01 O 14.92 -8.82 O 12.59 -12.97 O 18.39 -12.52 C 19.73 -9.59 C 18.39 -9.18 C 20.55 -12.22 C 21.93 -10.17 C 14.92 -14.28 O 23.02 -11.15 O 13.72 -13.59 O 16.42 -8.30 O 12.59 -10.17 O 16.17 -14.58 O 20.55 -14.58 C 17.20 -7.14 C 11.37 -9.42 C 15.40 -15.76 C 20.55 -10.76 C 19.73 -15.76 C 18.39 -15.28 C 14.92 -10.17 C 13.79 -12.22 C 17.02 -9.59 C 19.73 -13.40 C 13.79 -10.84 C 16.89 -13.40 C 16.06 -12.28 C 16.06 -10.84 C 18.39 -13.91 C 14.92 -12.89 38 1 -2 2 20 1 3 26 1 4 27 1 5 28 1 31 6 -2 39 7 -1 8 26 2 9 27 2 10 28 2 11 30 2 32 12 -2 33 13 -2 40 14 -2 15 16 2 15 29 1 16 34 1 17 29 2 17 35 1 18 20 1 18 29 1 19 21 1 41 19 -1 41 21 -2 22 26 1 34 22 -1 23 27 1 36 23 -2 24 28 1 37 24 -1 25 30 1 35 25 -2 30 31 1 31 40 1 32 36 1 32 39 1 33 36 1 33 41 1 34 39 1 35 40 1 37 38 1 37 40 1 38 39 1 38 41 1', '41 44 H 16.80 -11.73 C:53 24.34 -10.76 C:21 16.65 -5.86 C:22 10.16 -10.07 C:21 16.06 -17.01 C:6 17.20 -16.10 C:14 16.06 -9.32 O 18.61 -7.14 O 11.37 -7.99 O 14.01 -15.76 O 20.18 -17.01 O 14.92 -8.82 O 12.59 -12.97 O 18.39 -12.52 C:128 19.73 -9.59 C:132 18.39 -9.18 C:123 20.55 -12.22 C:73 21.93 -10.17 C:49 14.92 -14.28 O 23.02 -11.15 O 13.72 -13.59 O 16.42 -8.30 O 12.59 -10.17 O 16.17 -14.58 O 20.55 -14.58 C:170 17.20 -7.14 C:171 11.37 -9.42 C:170 15.40 -15.76 C:141 20.55 -10.76 C:176 19.73 -15.76 C:44 18.39 -15.28 C:77 14.92 -10.17 C:76 13.79 -12.22 C:76 17.02 -9.59 C:79 19.73 -13.40 C:68 13.79 -10.84 C:64 16.89 -13.40 C:31 16.06 -12.28 C:48 16.06 -10.84 C:81 18.39 -13.91 C:60 14.92 -12.89 38 1 -2 2 20 1 3 26 1 4 27 1 5 28 1 31 6 -2 39 7 -1 8 26 2 9 27 2 10 28 2 11 30 2 32 12 -2 33 13 -2 40 14 -2 15 16 2 15 29 1 16 34 1 17 29 2 17 35 1 18 20 1 18 29 1 19 21 1 41 19 -1 41 21 -2 22 26 1 34 22 -1 23 27 1 36 23 -2 24 28 1 37 24 -1 25 30 1 35 25 -2 30 31 1 31 40 1 32 36 1 32 39 1 33 36 1 33 41 1 34 39 1 35 40 1 37 38 1 37 40 1 38 39 1 38 41 1', 'C27H36O13', 568.289, 'C', 'tt06_9123_5', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16043, 'Juncin W', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O[C:16001]([CH3:16002])=O)[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(COC(C)=O)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@@H](OC(C)=O)[C@@H](O)[C@]34CO4', '[H][C@@:31]23[C@H:64](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:44]([CH3:6])[C:176](=O)O[C@H:79]1[CH:123]=[C:139]([CH2:64]O[C:171]([CH3:21])=O)[CH:127]=[CH:133][C@H:75](O[C:170]([CH3:21])=O)[C@@:47]2([CH3:14])[C@@H:77](O)[C@@H:68](O[C:170]([CH3:21])=O)[C@@H:76](O)[C@:60]34[CH2:48]O4', '43 46 H 16.30 -11.73 C:16002 24.86 -11.73 C:2002 16.15 -5.85 C:13002 9.65 -10.07 C:9002 15.55 -17.01 C:18 16.70 -16.09 C:15 15.55 -9.32 O 24.16 -9.42 O 18.11 -7.13 O 10.86 -7.99 O 13.50 -15.75 O 19.68 -17.01 O 14.42 -8.82 O 12.08 -12.96 O 17.89 -12.52 C:4 19.23 -9.59 C:3 17.89 -9.18 C:6 20.05 -12.22 C:16 21.43 -10.17 C:20 14.42 -14.28 O 22.52 -11.15 O 13.21 -13.58 O 15.92 -8.30 O 12.08 -10.17 O 15.66 -14.58 O 20.05 -14.58 C:16001 23.85 -10.76 C:2001 16.70 -7.13 C:13001 10.86 -9.42 C:9001 14.90 -15.75 C:5 20.05 -10.76 C:19 19.23 -15.75 C:17 17.89 -15.27 C:14 14.42 -10.17 C:12 13.28 -12.22 C:2 16.52 -9.59 C:7 19.23 -13.39 C:13 13.28 -10.84 C:9 16.39 -13.39 C:10 15.55 -12.28 C:1 15.55 -10.84 C:8 17.89 -13.90 C:11 14.42 -12.88 40 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 33 6 -2 41 7 -1 8 27 2 9 28 2 10 29 2 11 30 2 12 32 2 34 13 -2 35 14 -2 42 15 -2 16 17 2 16 31 1 17 36 1 18 31 2 18 37 1 19 21 1 19 31 1 20 22 1 43 20 -1 21 27 1 43 22 -2 23 28 1 36 23 -1 24 29 1 38 24 -2 25 30 1 39 25 -1 26 32 1 37 26 -2 32 33 1 33 42 1 34 38 1 34 41 1 35 38 1 35 43 1 36 41 1 37 42 1 39 40 1 39 42 1 40 41 1 40 43 1', '43 46 H 16.30 -11.73 C 24.86 -11.73 C 16.15 -5.85 C 9.65 -10.07 C 15.55 -17.01 C 16.70 -16.09 C 15.55 -9.32 O 24.16 -9.42 O 18.11 -7.13 O 10.86 -7.99 O 13.50 -15.75 O 19.68 -17.01 O 14.42 -8.82 O 12.08 -12.96 O 17.89 -12.52 C 19.23 -9.59 C 17.89 -9.18 C 20.05 -12.22 C 21.43 -10.17 C 14.42 -14.28 O 22.52 -11.15 O 13.21 -13.58 O 15.92 -8.30 O 12.08 -10.17 O 15.66 -14.58 O 20.05 -14.58 C 23.85 -10.76 C 16.70 -7.13 C 10.86 -9.42 C 14.90 -15.75 C 20.05 -10.76 C 19.23 -15.75 C 17.89 -15.27 C 14.42 -10.17 C 13.28 -12.22 C 16.52 -9.59 C 19.23 -13.39 C 13.28 -10.84 C 16.39 -13.39 C 15.55 -12.28 C 15.55 -10.84 C 17.89 -13.90 C 14.42 -12.88 40 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 33 6 -2 41 7 -1 8 27 2 9 28 2 10 29 2 11 30 2 12 32 2 34 13 -2 35 14 -2 42 15 -2 16 17 2 16 31 1 17 36 1 18 31 2 18 37 1 19 21 1 19 31 1 20 22 1 43 20 -1 21 27 1 43 22 -2 23 28 1 36 23 -1 24 29 1 38 24 -2 25 30 1 39 25 -1 26 32 1 37 26 -2 32 33 1 33 42 1 34 38 1 34 41 1 35 38 1 35 43 1 36 41 1 37 42 1 39 40 1 39 42 1 40 41 1 40 43 1', '43 46 H 16.30 -11.73 C:21 24.86 -11.73 C:21 16.15 -5.85 C:21 9.65 -10.07 C:21 15.55 -17.01 C:6 16.70 -16.09 C:14 15.55 -9.32 O 24.16 -9.42 O 18.11 -7.13 O 10.86 -7.99 O 13.50 -15.75 O 19.68 -17.01 O 14.42 -8.82 O 12.08 -12.96 O 17.89 -12.52 C:127 19.23 -9.59 C:133 17.89 -9.18 C:123 20.05 -12.22 C:64 21.43 -10.17 C:48 14.42 -14.28 O 22.52 -11.15 O 13.21 -13.58 O 15.92 -8.30 O 12.08 -10.17 O 15.66 -14.58 O 20.05 -14.58 C:171 23.85 -10.76 C:170 16.70 -7.13 C:170 10.86 -9.42 C:170 14.90 -15.75 C:139 20.05 -10.76 C:176 19.23 -15.75 C:44 17.89 -15.27 C:77 14.42 -10.17 C:76 13.28 -12.22 C:75 16.52 -9.59 C:79 19.23 -13.39 C:68 13.28 -10.84 C:64 16.39 -13.39 C:31 15.55 -12.28 C:47 15.55 -10.84 C:81 17.89 -13.90 C:60 14.42 -12.88 40 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 33 6 -2 41 7 -1 8 27 2 9 28 2 10 29 2 11 30 2 12 32 2 34 13 -2 35 14 -2 42 15 -2 16 17 2 16 31 1 17 36 1 18 31 2 18 37 1 19 21 1 19 31 1 20 22 1 43 20 -1 21 27 1 43 22 -2 23 28 1 36 23 -1 24 29 1 38 24 -2 25 30 1 39 25 -1 26 32 1 37 26 -2 32 33 1 33 42 1 34 38 1 34 41 1 35 38 1 35 43 1 36 41 1 37 42 1 39 40 1 39 42 1 40 41 1 40 43 1', 'C28H36O14', 596.299, 'C', 'tt06_9123_6', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16044, 'Juncin X', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O[C:16001]([CH3:16002])=O)[C@H:4](O[C:4001]([CH3:4002])=O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(COC(C)=O)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)CC[C@]34CO4', '[H][C@@:40]23[C@H:71](O[C:170]([CH3:21])=O)[C@:80]1(O)[C@@H:42]([CH3:7])[C:176](=O)O[C@H:76]1[CH:124]=[C:140]([CH2:66]O[C:171]([CH3:21])=O)[C@H:69](O[C:170]([CH3:21])=O)[CH2:38][C@H:73](O[C:170]([CH3:21])=O)[C@@:48]2([CH3:15])[C@@H:73](O[C:171]([CH3:21])=O)[CH2:25][CH2:24][C@:62]34[CH2:59]O4', '45 48 H 15.12 -11.64 C:16002 23.73 -10.68 C:4002 19.40 -6.00 C:14002 12.03 -6.67 C:2002 16.27 -5.88 C:9002 14.40 -16.95 C:18 15.52 -16.03 C:15 14.40 -9.22 O 22.51 -8.60 O 21.14 -7.67 O 10.81 -8.76 O 17.55 -7.82 O 12.32 -15.71 O 18.50 -16.95 O 16.68 -12.43 C:6 18.88 -12.13 C:13 12.10 -10.81 C:16 20.09 -10.00 C:12 12.10 -12.13 C:20 13.27 -14.22 C:3 16.68 -9.10 O 21.30 -10.68 O 12.03 -13.52 O 18.88 -8.37 O 13.27 -8.76 O 15.12 -8.15 O 18.88 -14.51 O 14.51 -14.51 C:16001 22.51 -10.00 C:4001 19.82 -7.34 C:14001 12.03 -8.06 C:2001 16.27 -7.28 C:9001 13.76 -15.71 C:19 18.04 -15.63 C:5 18.88 -10.68 C:17 16.68 -15.21 C:4 18.04 -9.52 C:7 18.04 -13.32 C:14 13.27 -10.12 C:2 15.34 -9.52 C:9 15.21 -13.32 C:10 14.40 -12.13 C:1 14.40 -10.81 C:11 13.27 -12.80 C:8 16.68 -13.84 42 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 36 7 -2 43 8 -1 9 29 2 10 30 2 11 31 2 12 32 2 13 33 2 14 34 2 45 15 -2 16 35 2 16 38 1 17 19 1 17 39 1 18 22 1 18 35 1 19 44 1 20 23 1 44 20 -1 21 37 1 21 40 1 22 29 1 23 44 1 24 30 1 37 24 -1 25 31 1 39 25 -2 26 32 1 40 26 -1 27 34 1 38 27 -2 28 33 1 41 28 -1 34 36 1 35 37 1 36 45 1 38 45 1 39 43 1 40 43 1 41 42 1 41 45 1 42 43 1 42 44 1', '45 48 H 15.12 -11.64 C 23.73 -10.68 C 19.40 -6.00 C 12.03 -6.67 C 16.27 -5.88 C 14.40 -16.95 C 15.52 -16.03 C 14.40 -9.22 O 22.51 -8.60 O 21.14 -7.67 O 10.81 -8.76 O 17.55 -7.82 O 12.32 -15.71 O 18.50 -16.95 O 16.68 -12.43 C 18.88 -12.13 C 12.10 -10.81 C 20.09 -10.00 C 12.10 -12.13 C 13.27 -14.22 C 16.68 -9.10 O 21.30 -10.68 O 12.03 -13.52 O 18.88 -8.37 O 13.27 -8.76 O 15.12 -8.15 O 18.88 -14.51 O 14.51 -14.51 C 22.51 -10.00 C 19.82 -7.34 C 12.03 -8.06 C 16.27 -7.28 C 13.76 -15.71 C 18.04 -15.63 C 18.88 -10.68 C 16.68 -15.21 C 18.04 -9.52 C 18.04 -13.32 C 13.27 -10.12 C 15.34 -9.52 C 15.21 -13.32 C 14.40 -12.13 C 14.40 -10.81 C 13.27 -12.80 C 16.68 -13.84 42 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 36 7 -2 43 8 -1 9 29 2 10 30 2 11 31 2 12 32 2 13 33 2 14 34 2 45 15 -2 16 35 2 16 38 1 17 19 1 17 39 1 18 22 1 18 35 1 19 44 1 20 23 1 44 20 -1 21 37 1 21 40 1 22 29 1 23 44 1 24 30 1 37 24 -1 25 31 1 39 25 -2 26 32 1 40 26 -1 27 34 1 38 27 -2 28 33 1 41 28 -1 34 36 1 35 37 1 36 45 1 38 45 1 39 43 1 40 43 1 41 42 1 41 45 1 42 43 1 42 44 1', '45 48 H 15.12 -11.64 C:21 23.73 -10.68 C:21 19.40 -6.00 C:21 12.03 -6.67 C:21 16.27 -5.88 C:21 14.40 -16.95 C:7 15.52 -16.03 C:15 14.40 -9.22 O 22.51 -8.60 O 21.14 -7.67 O 10.81 -8.76 O 17.55 -7.82 O 12.32 -15.71 O 18.50 -16.95 O 16.68 -12.43 C:124 18.88 -12.13 C:25 12.10 -10.81 C:66 20.09 -10.00 C:24 12.10 -12.13 C:59 13.27 -14.22 C:38 16.68 -9.10 O 21.30 -10.68 O 12.03 -13.52 O 18.88 -8.37 O 13.27 -8.76 O 15.12 -8.15 O 18.88 -14.51 O 14.51 -14.51 C:171 22.51 -10.00 C:170 19.82 -7.34 C:171 12.03 -8.06 C:170 16.27 -7.28 C:170 13.76 -15.71 C:176 18.04 -15.63 C:140 18.88 -10.68 C:42 16.68 -15.21 C:69 18.04 -9.52 C:76 18.04 -13.32 C:73 13.27 -10.12 C:73 15.34 -9.52 C:71 15.21 -13.32 C:40 14.40 -12.13 C:48 14.40 -10.81 C:62 13.27 -12.80 C:80 16.68 -13.84 42 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 36 7 -2 43 8 -1 9 29 2 10 30 2 11 31 2 12 32 2 13 33 2 14 34 2 45 15 -2 16 35 2 16 38 1 17 19 1 17 39 1 18 22 1 18 35 1 19 44 1 20 23 1 44 20 -1 21 37 1 21 40 1 22 29 1 23 44 1 24 30 1 37 24 -1 25 31 1 39 25 -2 26 32 1 40 26 -1 27 34 1 38 27 -2 28 33 1 41 28 -1 34 36 1 35 37 1 36 45 1 38 45 1 39 43 1 40 43 1 41 42 1 41 45 1 42 43 1 42 44 1', 'C30H40O14', 624.321, 'C', 'tt06_9123_7', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16045, 'Juncin Y', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@H:4](O[C:4001]([CH3:4002])=O)[C:5]([CH2:16]O[C:16001]([CH3:16002])=O)=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C(COC(C)=O)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:42]13[C:151](=[CH2:113])[CH2:26][CH2:28][C@H:71](O[C:171]([CH3:21])=O)[C@:48]1([CH3:15])[C@@H:72](O[C:169]([CH3:21])=O)[CH2:38][C@@H:69](O[C:170]([CH3:21])=O)[C:142]([CH2:66]O[C:171]([CH3:22])=O)=[CH:123][C@@H:76]2O[C:176](=O)[C@H:42]([CH3:7])[C@@:83]2(O)[C@H:73]3O[C:170]([CH3:21])=O', '44 46 H 13.99 -10.84 C:20 12.15 -13.42 C:16002 22.58 -9.91 C:4002 18.41 -5.22 C:14002 10.90 -5.85 C:2002 15.12 -5.06 C:9002 13.26 -16.16 C:18 14.39 -15.24 C:15 13.26 -8.41 O 21.38 -7.81 O 20.07 -6.99 O 9.67 -7.95 O 16.41 -6.99 O 11.19 -14.92 O 17.35 -16.16 O 15.55 -11.64 C:6 17.72 -11.34 C:12 10.97 -11.34 C:16 18.94 -9.21 C:13 10.97 -10.00 C:3 15.55 -8.29 O 20.15 -9.91 O 17.72 -7.55 O 12.15 -7.95 O 13.99 -7.32 O 13.37 -13.73 O 17.72 -13.73 C:16001 21.37 -9.21 C:4001 18.73 -6.59 C:14001 10.90 -7.23 C:2001 15.13 -6.46 C:9001 12.61 -14.92 C:11 12.15 -12.01 C:19 16.89 -14.84 C:5 17.72 -9.87 C:17 15.55 -14.43 C:4 16.89 -8.71 C:7 16.89 -12.53 C:14 12.15 -9.32 C:2 14.21 -8.71 C:9 14.08 -12.53 C:10 13.26 -11.34 C:1 13.26 -10.00 C:8 15.55 -13.04 42 1 -2 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 36 8 -2 43 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 44 16 -2 17 35 2 17 38 1 18 20 1 18 33 1 19 22 1 19 35 1 20 39 1 21 37 1 21 40 1 22 28 1 23 29 1 37 23 -1 24 30 1 39 24 -2 25 31 1 40 25 -1 26 32 1 41 26 -1 27 34 1 38 27 -2 33 42 1 34 36 1 35 37 1 36 44 1 38 44 1 39 43 1 40 43 1 41 42 1 41 44 1 42 43 1', '44 46 H 13.99 -10.84 C 12.15 -13.42 C 22.58 -9.91 C 18.41 -5.22 C 10.90 -5.85 C 15.12 -5.06 C 13.26 -16.16 C 14.39 -15.24 C 13.26 -8.41 O 21.38 -7.81 O 20.07 -6.99 O 9.67 -7.95 O 16.41 -6.99 O 11.19 -14.92 O 17.35 -16.16 O 15.55 -11.64 C 17.72 -11.34 C 10.97 -11.34 C 18.94 -9.21 C 10.97 -10.00 C 15.55 -8.29 O 20.15 -9.91 O 17.72 -7.55 O 12.15 -7.95 O 13.99 -7.32 O 13.37 -13.73 O 17.72 -13.73 C 21.37 -9.21 C 18.73 -6.59 C 10.90 -7.23 C 15.13 -6.46 C 12.61 -14.92 C 12.15 -12.01 C 16.89 -14.84 C 17.72 -9.87 C 15.55 -14.43 C 16.89 -8.71 C 16.89 -12.53 C 12.15 -9.32 C 14.21 -8.71 C 14.08 -12.53 C 13.26 -11.34 C 13.26 -10.00 C 15.55 -13.04 42 1 -2 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 36 8 -2 43 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 44 16 -2 17 35 2 17 38 1 18 20 1 18 33 1 19 22 1 19 35 1 20 39 1 21 37 1 21 40 1 22 28 1 23 29 1 37 23 -1 24 30 1 39 24 -2 25 31 1 40 25 -1 26 32 1 41 26 -1 27 34 1 38 27 -2 33 42 1 34 36 1 35 37 1 36 44 1 38 44 1 39 43 1 40 43 1 41 42 1 41 44 1 42 43 1', '44 46 H 13.99 -10.84 C:113 12.15 -13.42 C:22 22.58 -9.91 C:21 18.41 -5.22 C:21 10.90 -5.85 C:21 15.12 -5.06 C:21 13.26 -16.16 C:7 14.39 -15.24 C:15 13.26 -8.41 O 21.38 -7.81 O 20.07 -6.99 O 9.67 -7.95 O 16.41 -6.99 O 11.19 -14.92 O 17.35 -16.16 O 15.55 -11.64 C:123 17.72 -11.34 C:26 10.97 -11.34 C:66 18.94 -9.21 C:28 10.97 -10.00 C:38 15.55 -8.29 O 20.15 -9.91 O 17.72 -7.55 O 12.15 -7.95 O 13.99 -7.32 O 13.37 -13.73 O 17.72 -13.73 C:171 21.37 -9.21 C:170 18.73 -6.59 C:171 10.90 -7.23 C:169 15.13 -6.46 C:170 12.61 -14.92 C:151 12.15 -12.01 C:176 16.89 -14.84 C:142 17.72 -9.87 C:42 15.55 -14.43 C:69 16.89 -8.71 C:76 16.89 -12.53 C:71 12.15 -9.32 C:72 14.21 -8.71 C:73 14.08 -12.53 C:42 13.26 -11.34 C:48 13.26 -10.00 C:83 15.55 -13.04 42 1 -2 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 36 8 -2 43 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 44 16 -2 17 35 2 17 38 1 18 20 1 18 33 1 19 22 1 19 35 1 20 39 1 21 37 1 21 40 1 22 28 1 23 29 1 37 23 -1 24 30 1 39 24 -2 25 31 1 40 25 -1 26 32 1 41 26 -1 27 34 1 38 27 -2 33 42 1 34 36 1 35 37 1 36 44 1 38 44 1 39 43 1 40 43 1 41 42 1 41 44 1 42 43 1', 'C30H40O13', 608.321, 'C', 'tt06_9123_8', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16046, 'Juncin Z', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@H:4](O[C:4001]([CH3:4002])=O)[C:5]([C:16](=O)O[CH3:16001])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C(C(=O)OC)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:43]13[C:151](=[CH2:112])[CH2:29][CH2:28][C@H:74](O[C:171]([CH3:22])=O)[C@:48]1([CH3:14])[C@@H:73](O[C:169]([CH3:21])=O)[CH2:37][C@@H:68](O[C:170]([CH3:21])=O)[C:137]([C:167](=O)O[CH3:53])=[CH:139][C@@H:77]2O[C:175](=O)[C@H:43]([CH3:6])[C@@:83]2(O)[C@H:72]3O[C:170]([CH3:21])=O', '43 45 H 15.71 -11.68 C:20 13.87 -14.25 C:16001 23.10 -10.04 C:4002 20.11 -6.04 C:14002 12.63 -6.69 C:2002 16.85 -5.89 C:9002 14.98 -16.99 C:18 16.11 -16.07 C:15 14.98 -9.25 O 21.80 -7.84 O 11.40 -8.79 O 18.14 -7.84 O 12.92 -15.75 O 20.67 -8.64 O 19.09 -16.99 O 17.28 -12.48 C:6 19.46 -12.18 C:12 12.70 -12.18 C:13 12.70 -10.84 C:3 17.28 -9.13 O 21.88 -10.71 O 19.46 -8.40 O 13.87 -8.79 O 15.71 -8.17 O 15.09 -14.56 O 19.46 -14.56 C:4001 20.46 -7.42 C:14001 12.63 -8.08 C:2001 16.85 -7.30 C:9001 14.33 -15.75 C:11 13.87 -12.85 C:16 20.67 -10.04 C:19 18.63 -15.67 C:5 19.46 -10.71 C:17 17.28 -15.26 C:4 18.63 -9.55 C:7 18.63 -13.36 C:14 13.87 -10.16 C:2 15.93 -9.55 C:9 15.80 -13.36 C:10 14.98 -12.18 C:1 14.98 -10.84 C:8 17.28 -13.87 41 1 -2 2 31 2 3 21 1 4 27 1 5 28 1 6 29 1 7 30 1 35 8 -2 42 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 15 33 2 43 16 -2 17 34 2 17 37 1 18 19 1 18 31 1 19 38 1 20 36 1 20 39 1 21 32 1 22 27 1 36 22 -1 23 28 1 38 23 -2 24 29 1 39 24 -1 25 30 1 40 25 -1 26 33 1 37 26 -2 31 41 1 32 34 1 33 35 1 34 36 1 35 43 1 37 43 1 38 42 1 39 42 1 40 41 1 40 43 1 41 42 1', '43 45 H 15.71 -11.68 C 13.87 -14.25 C 23.10 -10.04 C 20.11 -6.04 C 12.63 -6.69 C 16.85 -5.89 C 14.98 -16.99 C 16.11 -16.07 C 14.98 -9.25 O 21.80 -7.84 O 11.40 -8.79 O 18.14 -7.84 O 12.92 -15.75 O 20.67 -8.64 O 19.09 -16.99 O 17.28 -12.48 C 19.46 -12.18 C 12.70 -12.18 C 12.70 -10.84 C 17.28 -9.13 O 21.88 -10.71 O 19.46 -8.40 O 13.87 -8.79 O 15.71 -8.17 O 15.09 -14.56 O 19.46 -14.56 C 20.46 -7.42 C 12.63 -8.08 C 16.85 -7.30 C 14.33 -15.75 C 13.87 -12.85 C 20.67 -10.04 C 18.63 -15.67 C 19.46 -10.71 C 17.28 -15.26 C 18.63 -9.55 C 18.63 -13.36 C 13.87 -10.16 C 15.93 -9.55 C 15.80 -13.36 C 14.98 -12.18 C 14.98 -10.84 C 17.28 -13.87 41 1 -2 2 31 2 3 21 1 4 27 1 5 28 1 6 29 1 7 30 1 35 8 -2 42 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 15 33 2 43 16 -2 17 34 2 17 37 1 18 19 1 18 31 1 19 38 1 20 36 1 20 39 1 21 32 1 22 27 1 36 22 -1 23 28 1 38 23 -2 24 29 1 39 24 -1 25 30 1 40 25 -1 26 33 1 37 26 -2 31 41 1 32 34 1 33 35 1 34 36 1 35 43 1 37 43 1 38 42 1 39 42 1 40 41 1 40 43 1 41 42 1', '43 45 H 15.71 -11.68 C:112 13.87 -14.25 C:53 23.10 -10.04 C:21 20.11 -6.04 C:22 12.63 -6.69 C:21 16.85 -5.89 C:21 14.98 -16.99 C:6 16.11 -16.07 C:14 14.98 -9.25 O 21.80 -7.84 O 11.40 -8.79 O 18.14 -7.84 O 12.92 -15.75 O 20.67 -8.64 O 19.09 -16.99 O 17.28 -12.48 C:139 19.46 -12.18 C:29 12.70 -12.18 C:28 12.70 -10.84 C:37 17.28 -9.13 O 21.88 -10.71 O 19.46 -8.40 O 13.87 -8.79 O 15.71 -8.17 O 15.09 -14.56 O 19.46 -14.56 C:170 20.46 -7.42 C:171 12.63 -8.08 C:169 16.85 -7.30 C:170 14.33 -15.75 C:151 13.87 -12.85 C:167 20.67 -10.04 C:175 18.63 -15.67 C:137 19.46 -10.71 C:43 17.28 -15.26 C:68 18.63 -9.55 C:77 18.63 -13.36 C:74 13.87 -10.16 C:73 15.93 -9.55 C:72 15.80 -13.36 C:43 14.98 -12.18 C:48 14.98 -10.84 C:83 17.28 -13.87 41 1 -2 2 31 2 3 21 1 4 27 1 5 28 1 6 29 1 7 30 1 35 8 -2 42 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 15 33 2 43 16 -2 17 34 2 17 37 1 18 19 1 18 31 1 19 38 1 20 36 1 20 39 1 21 32 1 22 27 1 36 22 -1 23 28 1 38 23 -2 24 29 1 39 24 -1 25 30 1 40 25 -1 26 33 1 37 26 -2 31 41 1 32 34 1 33 35 1 34 36 1 35 43 1 37 43 1 38 42 1 39 42 1 40 41 1 40 43 1 41 42 1', 'C29H38O13', 594.31, 'C', 'tt06_9123_9', 4026, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16047, 'Juncin ZI', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]45O[C@:4](O)([CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@:11]23[CH2:20]O3)[C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]4O[C:19](=O)[C@@H:17]5[CH3:18]', '[H][C@@]12[C@H](OC(C)=O)[C@@]45O[C@](O)(C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]23CO3)C(=C)[C@H](Cl)[C@@H]4OC(=O)[C@@H]5C', '[H][C@@:41]12[C@H:72](O[C:170]([CH3:21])=O)[C@@:81]45O[C@:97](O)([CH2:41][C@H:73](O[C:169]([CH3:21])=O)[C@@:47]1([CH3:16])[C@@H:73](O[C:173]([CH3:22])=O)[CH2:30][CH2:25][C@:56]23[CH2:51]O3)[C:138](=[CH2:118])[C@H:55](Cl)[C@@H:79]4O[C:174](=O)[C@@H:50]5[CH3:7]', '39 43 H 16.84 -11.67 C:16 21.78 -10.25 C:14002 13.87 -6.85 C:2002 17.92 -6.03 C:9002 16.12 -16.78 C:18 17.22 -15.88 C:15 16.12 -9.33 O 12.68 -8.88 O 19.20 -7.94 O 14.13 -15.58 O 20.09 -16.78 O 20.45 -8.47 Cl 21.78 -12.58 C:13 13.92 -10.86 C:12 13.92 -12.14 C:20 15.05 -14.16 C:3 18.34 -9.20 O 13.87 -13.47 O 15.05 -8.88 O 16.84 -8.26 O 16.22 -14.45 O 20.45 -14.45 O 18.34 -11.41 C:14001 13.87 -8.17 C:2001 17.92 -7.43 C:9001 15.51 -15.58 C:5 20.45 -10.74 C:19 19.65 -15.50 C:17 18.34 -15.12 C:6 20.45 -12.14 C:14 15.05 -10.20 C:2 17.06 -9.60 C:7 19.65 -13.29 C:9 16.93 -13.29 C:10 16.12 -12.14 C:4 19.65 -9.60 C:1 16.12 -10.86 C:11 15.05 -12.81 C:8 18.34 -13.79 35 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 37 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 36 12 -1 30 13 -2 14 15 1 14 31 1 15 38 1 16 18 1 38 16 -1 17 32 1 17 36 1 18 38 1 19 24 1 31 19 -2 20 25 1 32 20 -1 21 26 1 34 21 -1 22 28 1 33 22 -2 23 36 1 39 23 -2 27 30 1 27 36 1 28 29 1 29 39 1 30 33 1 31 37 1 32 37 1 33 39 1 34 35 1 34 39 1 35 37 1 35 38 1', '39 43 H 16.84 -11.67 C 21.78 -10.25 C 13.87 -6.85 C 17.92 -6.03 C 16.12 -16.78 C 17.22 -15.88 C 16.12 -9.33 O 12.68 -8.88 O 19.20 -7.94 O 14.13 -15.58 O 20.09 -16.78 O 20.45 -8.47 Cl 21.78 -12.58 C 13.92 -10.86 C 13.92 -12.14 C 15.05 -14.16 C 18.34 -9.20 O 13.87 -13.47 O 15.05 -8.88 O 16.84 -8.26 O 16.22 -14.45 O 20.45 -14.45 O 18.34 -11.41 C 13.87 -8.17 C 17.92 -7.43 C 15.51 -15.58 C 20.45 -10.74 C 19.65 -15.50 C 18.34 -15.12 C 20.45 -12.14 C 15.05 -10.20 C 17.06 -9.60 C 19.65 -13.29 C 16.93 -13.29 C 16.12 -12.14 C 19.65 -9.60 C 16.12 -10.86 C 15.05 -12.81 C 18.34 -13.79 35 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 37 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 36 12 -1 30 13 -2 14 15 1 14 31 1 15 38 1 16 18 1 38 16 -1 17 32 1 17 36 1 18 38 1 19 24 1 31 19 -2 20 25 1 32 20 -1 21 26 1 34 21 -1 22 28 1 33 22 -2 23 36 1 39 23 -2 27 30 1 27 36 1 28 29 1 29 39 1 30 33 1 31 37 1 32 37 1 33 39 1 34 35 1 34 39 1 35 37 1 35 38 1', '39 43 H 16.84 -11.67 C:118 21.78 -10.25 C:22 13.87 -6.85 C:21 17.92 -6.03 C:21 16.12 -16.78 C:7 17.22 -15.88 C:16 16.12 -9.33 O 12.68 -8.88 O 19.20 -7.94 O 14.13 -15.58 O 20.09 -16.78 O 20.45 -8.47 Cl 21.78 -12.58 C:30 13.92 -10.86 C:25 13.92 -12.14 C:51 15.05 -14.16 C:41 18.34 -9.20 O 13.87 -13.47 O 15.05 -8.88 O 16.84 -8.26 O 16.22 -14.45 O 20.45 -14.45 O 18.34 -11.41 C:173 13.87 -8.17 C:169 17.92 -7.43 C:170 15.51 -15.58 C:138 20.45 -10.74 C:174 19.65 -15.50 C:50 18.34 -15.12 C:55 20.45 -12.14 C:73 15.05 -10.20 C:73 17.06 -9.60 C:79 19.65 -13.29 C:72 16.93 -13.29 C:41 16.12 -12.14 C:97 19.65 -9.60 C:47 16.12 -10.86 C:56 15.05 -12.81 C:81 18.34 -13.79 35 1 -2 2 27 2 3 24 1 4 25 1 5 26 1 29 6 -2 37 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 36 12 -1 30 13 -2 14 15 1 14 31 1 15 38 1 16 18 1 38 16 -1 17 32 1 17 36 1 18 38 1 19 24 1 31 19 -2 20 25 1 32 20 -1 21 26 1 34 21 -1 22 28 1 33 22 -2 23 36 1 39 23 -2 27 30 1 27 36 1 28 29 1 29 39 1 30 33 1 31 37 1 32 37 1 33 39 1 34 35 1 34 39 1 35 37 1 35 38 1', 'C26H33ClO11', 556.732, 'C', 'tt06_9123_10', 4026, '', 'Junceella juncea', '1', 45, 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
(16048, 'Juncin Q', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O)[CH:4]=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(CO)C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H](O)[C@@H](OC(C)=O)[C@@H](O)[C@]34CO4', '[H][C@@:31]23[C@H:66](O[C:170]([CH3:21])=O)[C@:82]1(O)[C@@H:46]([CH3:7])[C:177](=O)O[C@H:82]1[CH:122]=[C:147]([CH2:63]O)[CH:128]=[CH:133][C@H:76](O[C:168]([CH3:21])=O)[C@@:48]2([CH3:14])[C@@H:77](O)[C@@H:70](O[C:171]([CH3:21])=O)[C@@H:77](O)[C@:60]34[CH2:48]O4', '40 43 H 17.46 -11.72 C:2002 17.31 -5.85 C:13002 10.82 -10.06 C:9002 16.71 -17.00 C:18 17.86 -16.08 C:15 16.71 -9.31 O 19.27 -7.12 O 12.03 -7.98 O 14.67 -15.74 O 20.84 -17.00 O 23.68 -11.14 O 15.58 -8.81 O 13.25 -12.95 O 19.05 -12.51 C:4 20.39 -9.58 C:3 19.05 -9.17 C:6 21.21 -12.21 C:16 22.59 -10.16 C:20 15.58 -14.27 O 14.38 -13.57 O 17.08 -8.29 O 13.25 -10.16 O 16.82 -14.57 O 21.21 -14.57 C:2001 17.86 -7.12 C:13001 12.03 -9.41 C:9001 16.06 -15.74 C:5 21.21 -10.75 C:19 20.39 -15.74 C:17 19.05 -15.26 C:14 15.58 -10.16 C:12 14.45 -12.21 C:2 17.68 -9.58 C:7 20.39 -13.38 C:13 14.45 -10.83 C:9 17.55 -13.38 C:10 16.71 -12.27 C:1 16.71 -10.83 C:8 19.05 -13.89 C:11 15.58 -12.87 37 1 -2 2 25 1 3 26 1 4 27 1 30 5 -2 38 6 -1 7 25 2 8 26 2 9 27 2 10 29 2 11 18 1 31 12 -2 32 13 -2 39 14 -2 15 16 2 15 28 1 16 33 1 17 28 2 17 34 1 18 28 1 19 20 1 40 19 -1 20 40 1 21 25 1 33 21 -1 22 26 1 35 22 -2 23 27 1 36 23 -1 24 29 1 34 24 -2 29 30 1 30 39 1 31 35 1 31 38 1 32 35 1 32 40 1 33 38 1 34 39 1 36 37 1 36 39 1 37 38 1 37 40 1', '40 43 H 17.46 -11.72 C 17.31 -5.85 C 10.82 -10.06 C 16.71 -17.00 C 17.86 -16.08 C 16.71 -9.31 O 19.27 -7.12 O 12.03 -7.98 O 14.67 -15.74 O 20.84 -17.00 O 23.68 -11.14 O 15.58 -8.81 O 13.25 -12.95 O 19.05 -12.51 C 20.39 -9.58 C 19.05 -9.17 C 21.21 -12.21 C 22.59 -10.16 C 15.58 -14.27 O 14.38 -13.57 O 17.08 -8.29 O 13.25 -10.16 O 16.82 -14.57 O 21.21 -14.57 C 17.86 -7.12 C 12.03 -9.41 C 16.06 -15.74 C 21.21 -10.75 C 20.39 -15.74 C 19.05 -15.26 C 15.58 -10.16 C 14.45 -12.21 C 17.68 -9.58 C 20.39 -13.38 C 14.45 -10.83 C 17.55 -13.38 C 16.71 -12.27 C 16.71 -10.83 C 19.05 -13.89 C 15.58 -12.87 37 1 -2 2 25 1 3 26 1 4 27 1 30 5 -2 38 6 -1 7 25 2 8 26 2 9 27 2 10 29 2 11 18 1 31 12 -2 32 13 -2 39 14 -2 15 16 2 15 28 1 16 33 1 17 28 2 17 34 1 18 28 1 19 20 1 40 19 -1 20 40 1 21 25 1 33 21 -1 22 26 1 35 22 -2 23 27 1 36 23 -1 24 29 1 34 24 -2 29 30 1 30 39 1 31 35 1 31 38 1 32 35 1 32 40 1 33 38 1 34 39 1 36 37 1 36 39 1 37 38 1 37 40 1', '40 43 H 17.46 -11.72 C:21 17.31 -5.85 C:21 10.82 -10.06 C:21 16.71 -17.00 C:7 17.86 -16.08 C:14 16.71 -9.31 O 19.27 -7.12 O 12.03 -7.98 O 14.67 -15.74 O 20.84 -17.00 O 23.68 -11.14 O 15.58 -8.81 O 13.25 -12.95 O 19.05 -12.51 C:128 20.39 -9.58 C:133 19.05 -9.17 C:122 21.21 -12.21 C:63 22.59 -10.16 C:48 15.58 -14.27 O 14.38 -13.57 O 17.08 -8.29 O 13.25 -10.16 O 16.82 -14.57 O 21.21 -14.57 C:168 17.86 -7.12 C:171 12.03 -9.41 C:170 16.06 -15.74 C:147 21.21 -10.75 C:177 20.39 -15.74 C:46 19.05 -15.26 C:77 15.58 -10.16 C:77 14.45 -12.21 C:76 17.68 -9.58 C:82 20.39 -13.38 C:70 14.45 -10.83 C:66 17.55 -13.38 C:31 16.71 -12.27 C:48 16.71 -10.83 C:82 19.05 -13.89 C:60 15.58 -12.87 37 1 -2 2 25 1 3 26 1 4 27 1 30 5 -2 38 6 -1 7 25 2 8 26 2 9 27 2 10 29 2 11 18 1 31 12 -2 32 13 -2 39 14 -2 15 16 2 15 28 1 16 33 1 17 28 2 17 34 1 18 28 1 19 20 1 40 19 -1 20 40 1 21 25 1 33 21 -1 22 26 1 35 22 -2 23 27 1 36 23 -1 24 29 1 34 24 -2 29 30 1 30 39 1 31 35 1 31 38 1 32 35 1 32 40 1 33 38 1 34 39 1 36 37 1 36 39 1 37 38 1 37 40 1', 'C26H34O13', 554.278, 'C', 'tt06_9123_11', 4026, '', '', '1', 45, NULL, NULL),
(16049, 'Briarenolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11]([CH2:20]O)=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C:9]3=O', '[H][C@]13C(CO)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)C3=O', '[H][C@:44]13[C:134]([CH2:67]O)=[CH:127][CH2:28][C@H:70](O[C:171]([CH3:21])=O)[C@:46]1([CH3:12])[C@@H:73](O[C:170]([CH3:21])=O)[CH2:34][CH2:28][C:143]([CH3:28])=[CH:119][C@@H:80]2O[C:177](=O)[C@H:45]([CH3:8])[C@@:91]2(O)[C:216]3=O', '34 36 H 16.90 -11.68 C:14002 13.81 -6.60 C:2002 16.60 -5.88 C:16 21.98 -10.14 C:18 17.30 -16.06 C:15 16.19 -9.24 O 12.56 -8.63 O 18.64 -7.12 O 20.25 -16.99 O 16.01 -14.36 O 13.81 -14.97 O 18.45 -12.48 C:12 13.89 -12.19 C:6 20.62 -12.19 C:20 15.03 -14.27 C:4 19.81 -9.53 C:13 13.89 -10.84 C:3 18.45 -9.12 O 15.03 -8.74 O 16.48 -8.29 O 20.62 -14.56 C:14001 13.81 -8.00 C:2001 17.24 -7.12 C:5 20.62 -10.71 C:19 19.81 -15.67 C:11 15.03 -12.85 C:9 16.99 -13.37 C:17 18.45 -15.27 C:7 19.81 -13.42 C:14 15.03 -10.14 C:2 17.12 -9.53 C:10 16.19 -12.19 C:1 16.19 -10.84 C:8 18.45 -13.88 32 1 -2 2 22 1 3 23 1 4 24 1 28 5 -2 33 6 -1 7 22 2 8 23 2 9 25 2 10 27 2 11 15 1 34 12 -2 13 17 1 13 26 2 14 24 2 14 29 1 15 26 1 16 18 1 16 24 1 17 30 1 18 31 1 19 22 1 30 19 -2 20 23 1 31 20 -1 21 25 1 29 21 -2 25 28 1 26 32 1 27 32 1 27 34 1 28 34 1 29 34 1 30 33 1 31 33 1 32 33 1', '34 36 H 16.90 -11.68 C 13.81 -6.60 C 16.60 -5.88 C 21.98 -10.14 C 17.30 -16.06 C 16.19 -9.24 O 12.56 -8.63 O 18.64 -7.12 O 20.25 -16.99 O 16.01 -14.36 O 13.81 -14.97 O 18.45 -12.48 C 13.89 -12.19 C 20.62 -12.19 C 15.03 -14.27 C 19.81 -9.53 C 13.89 -10.84 C 18.45 -9.12 O 15.03 -8.74 O 16.48 -8.29 O 20.62 -14.56 C 13.81 -8.00 C 17.24 -7.12 C 20.62 -10.71 C 19.81 -15.67 C 15.03 -12.85 C 16.99 -13.37 C 18.45 -15.27 C 19.81 -13.42 C 15.03 -10.14 C 17.12 -9.53 C 16.19 -12.19 C 16.19 -10.84 C 18.45 -13.88 32 1 -2 2 22 1 3 23 1 4 24 1 28 5 -2 33 6 -1 7 22 2 8 23 2 9 25 2 10 27 2 11 15 1 34 12 -2 13 17 1 13 26 2 14 24 2 14 29 1 15 26 1 16 18 1 16 24 1 17 30 1 18 31 1 19 22 1 30 19 -2 20 23 1 31 20 -1 21 25 1 29 21 -2 25 28 1 26 32 1 27 32 1 27 34 1 28 34 1 29 34 1 30 33 1 31 33 1 32 33 1', '34 36 H 16.90 -11.68 C:21 13.81 -6.60 C:21 16.60 -5.88 C:28 21.98 -10.14 C:8 17.30 -16.06 C:12 16.19 -9.24 O 12.56 -8.63 O 18.64 -7.12 O 20.25 -16.99 O 16.01 -14.36 O 13.81 -14.97 O 18.45 -12.48 C:127 13.89 -12.19 C:119 20.62 -12.19 C:67 15.03 -14.27 C:28 19.81 -9.53 C:28 13.89 -10.84 C:34 18.45 -9.12 O 15.03 -8.74 O 16.48 -8.29 O 20.62 -14.56 C:171 13.81 -8.00 C:170 17.24 -7.12 C:143 20.62 -10.71 C:177 19.81 -15.67 C:134 15.03 -12.85 C:216 16.99 -13.37 C:45 18.45 -15.27 C:80 19.81 -13.42 C:70 15.03 -10.14 C:73 17.12 -9.53 C:44 16.19 -12.19 C:46 16.19 -10.84 C:91 18.45 -13.88 32 1 -2 2 22 1 3 23 1 4 24 1 28 5 -2 33 6 -1 7 22 2 8 23 2 9 25 2 10 27 2 11 15 1 34 12 -2 13 17 1 13 26 2 14 24 2 14 29 1 15 26 1 16 18 1 16 24 1 17 30 1 18 31 1 19 22 1 30 19 -2 20 23 1 31 20 -1 21 25 1 29 21 -2 25 28 1 26 32 1 27 32 1 27 34 1 28 34 1 29 34 1 30 33 1 31 33 1 32 33 1', 'C24H32O9', 464.259, 'C', 'tt07_8282_1', 4027, '', 'Briareum sp', '1', 45, NULL, NULL),
(16050, 'Briarenolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[C@@H:12](OO)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C:9]3=O', '[H][C@]13C(=C)[C@@H](OO)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)C3=O', '[H][C@:48]13[C:139](=[CH2:111])[C@@H:81](OO)[CH2:33][C@H:73](O[C:170]([CH3:21])=O)[C@:48]1([CH3:12])[C@@H:74](O[C:171]([CH3:21])=O)[CH2:32][CH2:29][C:146]([CH3:28])=[CH:118][C@@H:81]2O[C:176](=O)[C@H:45]([CH3:8])[C@@:90]2(O)[C:211]3=O', '35 37 H 17.41 -11.69 C:20 15.54 -14.28 C:2002 17.11 -5.89 C:14002 14.32 -6.62 C:16 22.49 -10.15 C:18 17.82 -16.07 C:15 16.70 -9.25 O 19.15 -7.13 O 13.07 -8.64 O 20.76 -17.00 O 16.52 -14.37 O 11.97 -12.23 O 18.97 -12.49 C:6 21.13 -12.23 C:4 20.32 -9.54 C:3 18.97 -9.13 C:13 14.40 -10.85 O 13.19 -12.91 O 16.99 -8.30 O 15.54 -8.75 O 21.13 -14.57 C:2001 17.75 -7.13 C:14001 14.32 -8.01 C:5 21.13 -10.72 C:11 15.54 -12.91 C:19 20.32 -15.68 C:9 17.50 -13.38 C:17 18.97 -15.28 C:12 14.40 -12.23 C:7 20.32 -13.38 C:2 17.63 -9.54 C:14 15.54 -10.15 C:10 16.70 -12.23 C:1 16.70 -10.85 C:8 18.97 -13.89 33 1 -2 2 25 2 3 22 1 4 23 1 5 24 1 28 6 -2 34 7 -1 8 22 2 9 23 2 10 26 2 11 27 2 12 18 1 35 13 -2 14 24 2 14 30 1 15 16 1 15 24 1 16 31 1 17 29 1 17 32 1 29 18 -1 19 22 1 31 19 -1 20 23 1 32 20 -2 21 26 1 30 21 -2 25 29 1 25 33 1 26 28 1 27 33 1 27 35 1 28 35 1 30 35 1 31 34 1 32 34 1 33 34 1', '35 37 H 17.41 -11.69 C 15.54 -14.28 C 17.11 -5.89 C 14.32 -6.62 C 22.49 -10.15 C 17.82 -16.07 C 16.70 -9.25 O 19.15 -7.13 O 13.07 -8.64 O 20.76 -17.00 O 16.52 -14.37 O 11.97 -12.23 O 18.97 -12.49 C 21.13 -12.23 C 20.32 -9.54 C 18.97 -9.13 C 14.40 -10.85 O 13.19 -12.91 O 16.99 -8.30 O 15.54 -8.75 O 21.13 -14.57 C 17.75 -7.13 C 14.32 -8.01 C 21.13 -10.72 C 15.54 -12.91 C 20.32 -15.68 C 17.50 -13.38 C 18.97 -15.28 C 14.40 -12.23 C 20.32 -13.38 C 17.63 -9.54 C 15.54 -10.15 C 16.70 -12.23 C 16.70 -10.85 C 18.97 -13.89 33 1 -2 2 25 2 3 22 1 4 23 1 5 24 1 28 6 -2 34 7 -1 8 22 2 9 23 2 10 26 2 11 27 2 12 18 1 35 13 -2 14 24 2 14 30 1 15 16 1 15 24 1 16 31 1 17 29 1 17 32 1 29 18 -1 19 22 1 31 19 -1 20 23 1 32 20 -2 21 26 1 30 21 -2 25 29 1 25 33 1 26 28 1 27 33 1 27 35 1 28 35 1 30 35 1 31 34 1 32 34 1 33 34 1', '35 37 H 17.41 -11.69 C:111 15.54 -14.28 C:21 17.11 -5.89 C:21 14.32 -6.62 C:28 22.49 -10.15 C:8 17.82 -16.07 C:12 16.70 -9.25 O 19.15 -7.13 O 13.07 -8.64 O 20.76 -17.00 O 16.52 -14.37 O 11.97 -12.23 O 18.97 -12.49 C:118 21.13 -12.23 C:29 20.32 -9.54 C:32 18.97 -9.13 C:33 14.40 -10.85 O 13.19 -12.91 O 16.99 -8.30 O 15.54 -8.75 O 21.13 -14.57 C:171 17.75 -7.13 C:170 14.32 -8.01 C:146 21.13 -10.72 C:139 15.54 -12.91 C:176 20.32 -15.68 C:211 17.50 -13.38 C:45 18.97 -15.28 C:81 14.40 -12.23 C:81 20.32 -13.38 C:74 17.63 -9.54 C:73 15.54 -10.15 C:48 16.70 -12.23 C:48 16.70 -10.85 C:90 18.97 -13.89 33 1 -2 2 25 2 3 22 1 4 23 1 5 24 1 28 6 -2 34 7 -1 8 22 2 9 23 2 10 26 2 11 27 2 12 18 1 35 13 -2 14 24 2 14 30 1 15 16 1 15 24 1 16 31 1 17 29 1 17 32 1 29 18 -1 19 22 1 31 19 -1 20 23 1 32 20 -2 21 26 1 30 21 -2 25 29 1 25 33 1 26 28 1 27 33 1 27 35 1 28 35 1 30 35 1 31 34 1 32 34 1 33 34 1', 'C24H32O10', 480.259, 'C', 'tt07_8282_2', 4027, '', 'Briareum sp', '1', 45, NULL, NULL),
(16051, 'Briarenolide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C@@H:11]([CH3:20])[C:12](=O)[CH:13]=[CH:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13[C@@H](C)C(=O)C=C[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:39]13[C@@H:47]([CH3:15])[C:202](=O)[CH:127]=[CH:153][C@:45]1([CH3:19])[C@@H:83](O[C:169]([CH3:21])=O)[C@@H:76](O[C:170]([CH3:21])=O)[CH2:35][C:137](=[CH2:122])[C@H:67](Cl)[C@@H:78]2O[C:176](=O)[C@H:42]([CH3:10])[C@@:83]2(O)[C@H:74]3O[C:170]([CH3:22])=O', '38 40 H 16.83 -11.79 C:16 21.90 -10.31 C:3002 19.56 -5.71 C:2002 14.54 -6.92 C:9002 16.10 -17.10 C:20 14.97 -14.37 C:18 17.23 -16.17 C:15 16.10 -9.33 O 20.80 -7.77 O 14.27 -9.33 O 14.04 -15.85 O 12.60 -13.00 O 20.22 -17.10 O 18.39 -12.59 Cl 21.90 -12.75 C:13 13.82 -10.95 C:14 14.97 -10.26 C:4 19.76 -9.65 O 18.39 -7.84 O 16.49 -8.36 O 16.21 -14.67 O 20.59 -14.67 C:3001 19.56 -7.11 C:2001 15.10 -8.20 C:9001 15.45 -15.85 C:5 20.59 -10.82 C:12 13.82 -12.29 C:19 19.76 -15.77 C:11 14.97 -13.00 C:17 18.39 -15.37 C:6 20.59 -12.29 C:3 18.39 -9.24 C:7 19.76 -13.47 C:2 17.05 -9.65 C:9 16.92 -13.47 C:10 16.10 -12.29 C:1 16.10 -10.95 C:8 18.39 -13.98 36 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 29 6 -1 30 7 -2 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 13 28 2 38 14 -2 31 15 -2 16 17 2 16 27 1 17 37 1 18 26 1 18 32 1 19 23 1 32 19 -1 20 24 1 34 20 -1 21 25 1 35 21 -1 22 28 1 33 22 -2 26 31 1 27 29 1 28 30 1 29 36 1 30 38 1 31 33 1 32 34 1 33 38 1 34 37 1 35 36 1 35 38 1 36 37 1', '38 40 H 16.83 -11.79 C 21.90 -10.31 C 19.56 -5.71 C 14.54 -6.92 C 16.10 -17.10 C 14.97 -14.37 C 17.23 -16.17 C 16.10 -9.33 O 20.80 -7.77 O 14.27 -9.33 O 14.04 -15.85 O 12.60 -13.00 O 20.22 -17.10 O 18.39 -12.59 Cl 21.90 -12.75 C 13.82 -10.95 C 14.97 -10.26 C 19.76 -9.65 O 18.39 -7.84 O 16.49 -8.36 O 16.21 -14.67 O 20.59 -14.67 C 19.56 -7.11 C 15.10 -8.20 C 15.45 -15.85 C 20.59 -10.82 C 13.82 -12.29 C 19.76 -15.77 C 14.97 -13.00 C 18.39 -15.37 C 20.59 -12.29 C 18.39 -9.24 C 19.76 -13.47 C 17.05 -9.65 C 16.92 -13.47 C 16.10 -12.29 C 16.10 -10.95 C 18.39 -13.98 36 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 29 6 -1 30 7 -2 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 13 28 2 38 14 -2 31 15 -2 16 17 2 16 27 1 17 37 1 18 26 1 18 32 1 19 23 1 32 19 -1 20 24 1 34 20 -1 21 25 1 35 21 -1 22 28 1 33 22 -2 26 31 1 27 29 1 28 30 1 29 36 1 30 38 1 31 33 1 32 34 1 33 38 1 34 37 1 35 36 1 35 38 1 36 37 1', '38 40 H 16.83 -11.79 C:122 21.90 -10.31 C:21 19.56 -5.71 C:21 14.54 -6.92 C:22 16.10 -17.10 C:15 14.97 -14.37 C:10 17.23 -16.17 C:19 16.10 -9.33 O 20.80 -7.77 O 14.27 -9.33 O 14.04 -15.85 O 12.60 -13.00 O 20.22 -17.10 O 18.39 -12.59 Cl 21.90 -12.75 C:127 13.82 -10.95 C:153 14.97 -10.26 C:35 19.76 -9.65 O 18.39 -7.84 O 16.49 -8.36 O 16.21 -14.67 O 20.59 -14.67 C:170 19.56 -7.11 C:169 15.10 -8.20 C:170 15.45 -15.85 C:137 20.59 -10.82 C:202 13.82 -12.29 C:176 19.76 -15.77 C:47 14.97 -13.00 C:42 18.39 -15.37 C:67 20.59 -12.29 C:76 18.39 -9.24 C:78 19.76 -13.47 C:83 17.05 -9.65 C:74 16.92 -13.47 C:39 16.10 -12.29 C:45 16.10 -10.95 C:83 18.39 -13.98 36 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 29 6 -1 30 7 -2 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 13 28 2 38 14 -2 31 15 -2 16 17 2 16 27 1 17 37 1 18 26 1 18 32 1 19 23 1 32 19 -1 20 24 1 34 20 -1 21 25 1 35 21 -1 22 28 1 33 22 -2 26 31 1 27 29 1 28 30 1 29 36 1 30 38 1 31 33 1 32 34 1 33 38 1 34 37 1 35 36 1 35 38 1 36 37 1', 'C26H33ClO10', 540.733, 'C', 'tt07_8282_3', 4027, '', 'Briareum sp', '1', 45, NULL, NULL),
(16052, 'Robustolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:44]13[C:150](=[CH2:110])[CH2:33][CH2:28][C@H:75](O[C:170]([CH3:22])=O)[C@:48]1([CH3:15])[C@@H:73](O[C:171]([CH3:22])=O)[CH2:29][CH2:33][C:147](=[CH2:121])[C@H:9999](Cl)[C@@H:82]2O[C:175](=O)[C@H:51]([CH3:7])[C@@:82]2(O)[C@H:80]3O[C:171]([CH3:22])=O', '37 39 H 16.88 -11.69 C:16 21.98 -10.21 C:20 15.02 -14.26 C:2002 16.58 -5.88 C:14002 13.76 -6.67 C:9002 14.10 -15.73 C:18 17.28 -16.05 C:15 16.20 -9.25 O 18.62 -7.13 O 12.56 -8.78 O 16.20 -16.96 O 20.28 -16.96 O 18.45 -12.49 Cl 21.98 -12.65 C:4 19.83 -9.56 C:12 13.86 -12.19 C:3 18.45 -9.13 C:13 13.86 -10.86 O 16.46 -8.30 O 15.02 -8.78 O 16.20 -14.53 O 20.66 -14.53 C:2001 17.22 -7.13 C:14001 13.76 -8.07 C:9001 15.50 -15.73 C:5 20.66 -10.73 C:11 15.02 -12.85 C:19 19.83 -15.65 C:17 18.45 -15.25 C:6 20.66 -12.19 C:2 17.10 -9.56 C:14 15.02 -10.16 C:7 19.83 -13.41 C:9 16.97 -13.36 C:10 16.20 -12.19 C:1 16.20 -10.86 C:8 18.45 -13.87 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 31 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.88 -11.69 C 21.98 -10.21 C 15.02 -14.26 C 16.58 -5.88 C 13.76 -6.67 C 14.10 -15.73 C 17.28 -16.05 C 16.20 -9.25 O 18.62 -7.13 O 12.56 -8.78 O 16.20 -16.96 O 20.28 -16.96 O 18.45 -12.49 Cl 21.98 -12.65 C 19.83 -9.56 C 13.86 -12.19 C 18.45 -9.13 C 13.86 -10.86 O 16.46 -8.30 O 15.02 -8.78 O 16.20 -14.53 O 20.66 -14.53 C 17.22 -7.13 C 13.76 -8.07 C 15.50 -15.73 C 20.66 -10.73 C 15.02 -12.85 C 19.83 -15.65 C 18.45 -15.25 C 20.66 -12.19 C 17.10 -9.56 C 15.02 -10.16 C 19.83 -13.41 C 16.97 -13.36 C 16.20 -12.19 C 16.20 -10.86 C 18.45 -13.87 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 31 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.88 -11.69 C:121 21.98 -10.21 C:110 15.02 -14.26 C:22 16.58 -5.88 C:22 13.76 -6.67 C:22 14.10 -15.73 C:7 17.28 -16.05 C:15 16.20 -9.25 O 18.62 -7.13 O 12.56 -8.78 O 16.20 -16.96 O 20.28 -16.96 O 18.45 -12.49 Cl 21.98 -12.65 C:33 19.83 -9.56 C:33 13.86 -12.19 C:29 18.45 -9.13 C:28 13.86 -10.86 O 16.46 -8.30 O 15.02 -8.78 O 16.20 -14.53 O 20.66 -14.53 C:171 17.22 -7.13 C:170 13.76 -8.07 C:171 15.50 -15.73 C:147 20.66 -10.73 C:150 15.02 -12.85 C:175 19.83 -15.65 C:51 18.45 -15.25 C 20.66 -12.19 C:73 17.10 -9.56 C:75 15.02 -10.16 C:82 19.83 -13.41 C:80 16.97 -13.36 C:44 16.20 -12.19 C:48 16.20 -10.86 C:82 18.45 -13.87 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 31 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', 'C26H35ClO9', 526.733, 'C ', 'tt07_7582_1', 4028, 'at 25∫C', 'tt00_4585_5', '1', 45, NULL, NULL),
(16053, 'Robustolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:44]13[C:150](=[CH2:111])[CH2:34][CH2:28][C@H:75](O[C:171]([CH3:22])=O)[C@:49]1([CH3:15])[C@@H:74](O[C:172]([CH3:22])=O)[CH2:29][CH2:34][C:148](=[CH2:122])[C@H:53](Cl)[C@@H:82]2O[C:176](=O)[C@H:52]([CH3:7])[C@@:82]2(O)[C@H:79]3O[C:172]([CH3:22])=O', '37 39 H 16.88 -11.69 C:16 21.98 -10.21 C:20 15.02 -14.26 C:2002 16.58 -5.88 C:14002 13.76 -6.67 C:9002 14.10 -15.73 C:18 17.28 -16.05 C:15 16.20 -9.25 O 18.62 -7.13 O 12.56 -8.78 O 16.20 -16.96 O 20.28 -16.96 O 18.45 -12.49 Cl 21.98 -12.65 C:4 19.83 -9.56 C:12 13.86 -12.19 C:3 18.45 -9.13 C:13 13.86 -10.86 O 16.46 -8.30 O 15.02 -8.78 O 16.20 -14.53 O 20.66 -14.53 C:2001 17.22 -7.13 C:14001 13.76 -8.07 C:9001 15.50 -15.73 C:5 20.66 -10.73 C:11 15.02 -12.85 C:19 19.83 -15.65 C:17 18.45 -15.25 C:6 20.66 -12.19 C:2 17.10 -9.56 C:14 15.02 -10.16 C:7 19.83 -13.41 C:9 16.97 -13.36 C:10 16.20 -12.19 C:1 16.20 -10.86 C:8 18.45 -13.87 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 31 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.88 -11.69 C 21.98 -10.21 C 15.02 -14.26 C 16.58 -5.88 C 13.76 -6.67 C 14.10 -15.73 C 17.28 -16.05 C 16.20 -9.25 O 18.62 -7.13 O 12.56 -8.78 O 16.20 -16.96 O 20.28 -16.96 O 18.45 -12.49 Cl 21.98 -12.65 C 19.83 -9.56 C 13.86 -12.19 C 18.45 -9.13 C 13.86 -10.86 O 16.46 -8.30 O 15.02 -8.78 O 16.20 -14.53 O 20.66 -14.53 C 17.22 -7.13 C 13.76 -8.07 C 15.50 -15.73 C 20.66 -10.73 C 15.02 -12.85 C 19.83 -15.65 C 18.45 -15.25 C 20.66 -12.19 C 17.10 -9.56 C 15.02 -10.16 C 19.83 -13.41 C 16.97 -13.36 C 16.20 -12.19 C 16.20 -10.86 C 18.45 -13.87 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 31 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.88 -11.69 C:122 21.98 -10.21 C:111 15.02 -14.26 C:22 16.58 -5.88 C:22 13.76 -6.67 C:22 14.10 -15.73 C:7 17.28 -16.05 C:15 16.20 -9.25 O 18.62 -7.13 O 12.56 -8.78 O 16.20 -16.96 O 20.28 -16.96 O 18.45 -12.49 Cl 21.98 -12.65 C:34 19.83 -9.56 C:34 13.86 -12.19 C:29 18.45 -9.13 C:28 13.86 -10.86 O 16.46 -8.30 O 15.02 -8.78 O 16.20 -14.53 O 20.66 -14.53 C:172 17.22 -7.13 C:171 13.76 -8.07 C:172 15.50 -15.73 C:148 20.66 -10.73 C:150 15.02 -12.85 C:176 19.83 -15.65 C:52 18.45 -15.25 C:53 20.66 -12.19 C:74 17.10 -9.56 C:75 15.02 -10.16 C:82 19.83 -13.41 C:79 16.97 -13.36 C:44 16.20 -12.19 C:49 16.20 -10.86 C:82 18.45 -13.87 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 17 1 15 26 1 16 18 1 16 27 1 17 31 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', 'C26H35ClO9', 526.733, 'C+X', 'tt07_7582_1', 4028, 'at -35∫C', '', '1', 45, NULL, NULL),
(16054, 'Robustolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:43]13[C:149](=[CH2:113])[CH2:28][CH2:27][C@H:74](O[C:170]([CH3:21])=O)[C@:48]1([CH3:15])[C@@H:71](O[C:170]([CH3:22])=O)[CH:131]=[CH:129][C:138](=[CH2:118])[C@H:63](Cl)[C@@H:79]2O[C:175](=O)[C@H:46]([CH3:8])[C@@:84]2(O)[C@H:75]3O[C:170]([CH3:21])=O', '37 39 H 16.87 -11.67 C:16 21.98 -10.15 C:20 15.00 -14.23 C:2002 16.57 -5.88 C:14002 13.74 -6.67 C:9002 14.08 -15.70 C:18 17.27 -16.02 C:15 16.18 -9.25 O 18.61 -7.13 O 12.54 -8.78 O 16.18 -16.94 O 20.28 -16.94 O 18.45 -12.46 Cl 21.98 -12.62 C:4 19.83 -9.55 C:3 18.45 -9.13 C:12 13.84 -12.16 C:13 13.84 -10.84 O 16.45 -8.30 O 15.00 -8.78 O 16.18 -14.50 O 20.66 -14.50 C:2001 17.21 -7.13 C:14001 13.74 -8.07 C:9001 15.48 -15.70 C:5 20.66 -10.71 C:11 15.00 -12.82 C:19 19.83 -15.62 C:17 18.45 -15.22 C:6 20.66 -12.16 C:2 17.09 -9.55 C:14 15.00 -10.15 C:7 19.83 -13.33 C:9 16.96 -13.33 C:10 16.18 -12.16 C:1 16.18 -10.84 C:8 18.45 -13.84 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 16 2 15 26 1 16 31 1 17 18 1 17 27 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.87 -11.67 C 21.98 -10.15 C 15.00 -14.23 C 16.57 -5.88 C 13.74 -6.67 C 14.08 -15.70 C 17.27 -16.02 C 16.18 -9.25 O 18.61 -7.13 O 12.54 -8.78 O 16.18 -16.94 O 20.28 -16.94 O 18.45 -12.46 Cl 21.98 -12.62 C 19.83 -9.55 C 18.45 -9.13 C 13.84 -12.16 C 13.84 -10.84 O 16.45 -8.30 O 15.00 -8.78 O 16.18 -14.50 O 20.66 -14.50 C 17.21 -7.13 C 13.74 -8.07 C 15.48 -15.70 C 20.66 -10.71 C 15.00 -12.82 C 19.83 -15.62 C 18.45 -15.22 C 20.66 -12.16 C 17.09 -9.55 C 15.00 -10.15 C 19.83 -13.33 C 16.96 -13.33 C 16.18 -12.16 C 16.18 -10.84 C 18.45 -13.84 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 16 2 15 26 1 16 31 1 17 18 1 17 27 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.87 -11.67 C:118 21.98 -10.15 C:113 15.00 -14.23 C:22 16.57 -5.88 C:21 13.74 -6.67 C:21 14.08 -15.70 C:8 17.27 -16.02 C:15 16.18 -9.25 O 18.61 -7.13 O 12.54 -8.78 O 16.18 -16.94 O 20.28 -16.94 O 18.45 -12.46 Cl 21.98 -12.62 C:129 19.83 -9.55 C:131 18.45 -9.13 C:28 13.84 -12.16 C:27 13.84 -10.84 O 16.45 -8.30 O 15.00 -8.78 O 16.18 -14.50 O 20.66 -14.50 C:170 17.21 -7.13 C:170 13.74 -8.07 C:170 15.48 -15.70 C:138 20.66 -10.71 C:149 15.00 -12.82 C:175 19.83 -15.62 C:46 18.45 -15.22 C:63 20.66 -12.16 C:71 17.09 -9.55 C:74 15.00 -10.15 C:79 19.83 -13.33 C:75 16.96 -13.33 C:43 16.18 -12.16 C:48 16.18 -10.84 C:84 18.45 -13.84 35 1 -2 2 26 2 3 27 2 4 23 1 5 24 1 6 25 1 29 7 -2 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 37 13 -2 30 14 -2 15 16 2 15 26 1 16 31 1 17 18 1 17 27 1 18 32 1 19 23 1 31 19 -1 20 24 1 32 20 -2 21 25 1 34 21 -1 22 28 1 33 22 -2 26 30 1 27 35 1 28 29 1 29 37 1 30 33 1 31 36 1 32 36 1 33 37 1 34 35 1 34 37 1 35 36 1', 'C26H33ClO9', 524.733, 'C', 'tt07_7582_2', 4028, 'A 25∫C', 'Ellisella robusta', '1', 45, NULL, NULL),
(16055, 'Robustolide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5]([CH2:16]O[C:16001]([CH3:16002])=O)=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(COC(C)=O)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:43]13[C:151](=[CH2:114])[CH2:27][CH2:28][C@H:74](O[C:170]([CH3:21])=O)[C@:48]1([CH3:15])[C@@H:75](O[C:171]([CH3:22])=O)[CH:133]=[CH:127][C:140]([CH2:64]O[C:170]([CH3:21])=O)=[CH:123][C@@H:79]2O[C:176](=O)[C@H:43]([CH3:7])[C@@:83]2(O)[C@H:69]3O[C:170]([CH3:21])=O', '40 42 H 15.07 -11.70 C:20 13.21 -14.29 C:16002 23.71 -10.74 C:2002 14.77 -5.89 C:14002 11.94 -6.68 C:9002 12.29 -15.76 C:18 15.47 -16.08 C:15 14.39 -9.28 O 22.49 -8.67 O 16.81 -7.14 O 10.74 -8.81 O 14.39 -16.98 O 18.46 -16.98 O 16.64 -12.51 C:4 18.01 -9.58 C:3 16.64 -9.16 C:6 18.84 -12.21 C:12 12.04 -12.21 C:16 20.07 -10.07 C:13 12.04 -10.87 O 21.28 -10.74 O 14.65 -8.32 O 13.21 -8.81 O 14.39 -14.56 O 18.84 -14.56 C:16001 22.49 -10.07 C:2001 15.41 -7.14 C:14001 11.94 -8.09 C:9001 13.69 -15.76 C:11 13.21 -12.88 C:5 18.84 -10.74 C:19 18.01 -15.68 C:17 16.64 -15.28 C:2 15.29 -9.58 C:7 18.01 -13.39 C:14 13.21 -10.18 C:9 15.16 -13.39 C:10 14.39 -12.21 C:1 14.39 -10.87 C:8 16.64 -13.90 38 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 39 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 32 2 40 14 -2 15 16 2 15 31 1 16 34 1 17 31 2 17 35 1 18 20 1 18 30 1 19 21 1 19 31 1 20 36 1 21 26 1 22 27 1 34 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -1 25 32 1 35 25 -2 30 38 1 32 33 1 33 40 1 34 39 1 35 40 1 36 39 1 37 38 1 37 40 1 38 39 1', '40 42 H 15.07 -11.70 C 13.21 -14.29 C 23.71 -10.74 C 14.77 -5.89 C 11.94 -6.68 C 12.29 -15.76 C 15.47 -16.08 C 14.39 -9.28 O 22.49 -8.67 O 16.81 -7.14 O 10.74 -8.81 O 14.39 -16.98 O 18.46 -16.98 O 16.64 -12.51 C 18.01 -9.58 C 16.64 -9.16 C 18.84 -12.21 C 12.04 -12.21 C 20.07 -10.07 C 12.04 -10.87 O 21.28 -10.74 O 14.65 -8.32 O 13.21 -8.81 O 14.39 -14.56 O 18.84 -14.56 C 22.49 -10.07 C 15.41 -7.14 C 11.94 -8.09 C 13.69 -15.76 C 13.21 -12.88 C 18.84 -10.74 C 18.01 -15.68 C 16.64 -15.28 C 15.29 -9.58 C 18.01 -13.39 C 13.21 -10.18 C 15.16 -13.39 C 14.39 -12.21 C 14.39 -10.87 C 16.64 -13.90 38 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 39 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 32 2 40 14 -2 15 16 2 15 31 1 16 34 1 17 31 2 17 35 1 18 20 1 18 30 1 19 21 1 19 31 1 20 36 1 21 26 1 22 27 1 34 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -1 25 32 1 35 25 -2 30 38 1 32 33 1 33 40 1 34 39 1 35 40 1 36 39 1 37 38 1 37 40 1 38 39 1', '40 42 H 15.07 -11.70 C:114 13.21 -14.29 C:21 23.71 -10.74 C:22 14.77 -5.89 C:21 11.94 -6.68 C:21 12.29 -15.76 C:7 15.47 -16.08 C:15 14.39 -9.28 O 22.49 -8.67 O 16.81 -7.14 O 10.74 -8.81 O 14.39 -16.98 O 18.46 -16.98 O 16.64 -12.51 C:127 18.01 -9.58 C:133 16.64 -9.16 C:123 18.84 -12.21 C:27 12.04 -12.21 C:64 20.07 -10.07 C:28 12.04 -10.87 O 21.28 -10.74 O 14.65 -8.32 O 13.21 -8.81 O 14.39 -14.56 O 18.84 -14.56 C:170 22.49 -10.07 C:171 15.41 -7.14 C:170 11.94 -8.09 C:170 13.69 -15.76 C:151 13.21 -12.88 C:140 18.84 -10.74 C:176 18.01 -15.68 C:43 16.64 -15.28 C:75 15.29 -9.58 C:79 18.01 -13.39 C:74 13.21 -10.18 C:69 15.16 -13.39 C:43 14.39 -12.21 C:48 14.39 -10.87 C:83 16.64 -13.90 38 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 39 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 32 2 40 14 -2 15 16 2 15 31 1 16 34 1 17 31 2 17 35 1 18 20 1 18 30 1 19 21 1 19 31 1 20 36 1 21 26 1 22 27 1 34 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -1 25 32 1 35 25 -2 30 38 1 32 33 1 33 40 1 34 39 1 35 40 1 36 39 1 37 38 1 37 40 1 38 39 1', 'C28H36O11', 548.301, 'C', 'tt07_7582_3', 4028, '', 'A 25∫C  , Ellisella robusta', '1', 45, NULL, NULL),
(16056, 'Briaexcavatin 1', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C@@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)[C@@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(C)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:41]14[C@@H:45]([CH3:99])[C@@H:67](O)[CH2:29][C@H:76](O[C:168]([CH3:21])=O)[C@:46]1([CH3:15])[C@@H:75](O[C:171]([CH3:22])=O)[CH2:32][CH2:29][C:145]([CH3:27])=[CH:118][C@@H:75]2O[C:171](=O)[C@@:65]3([CH3:11])O[C@:71]23[C@H:74]4O[C:170]([CH3:21])=O', '37 40 H 16.86 -11.69 C:2002 16.71 -5.88 C:14002 13.73 -6.69 C:9002 15.95 -16.95 C:16 21.94 -10.17 C:20 14.98 -14.28 C:18 17.26 -16.09 C:15 16.14 -9.27 O 18.66 -7.28 O 12.52 -8.81 O 13.96 -15.58 O 20.22 -17.01 O 12.62 -12.89 C:6 20.60 -12.19 C:4 19.77 -9.56 C:3 18.40 -9.15 C:13 13.84 -10.86 O 16.48 -8.29 O 14.98 -8.81 O 20.60 -14.59 O 16.14 -14.54 O 19.61 -14.54 C:2001 17.26 -7.15 C:14001 13.73 -8.08 C:9001 15.35 -15.69 C:5 20.60 -10.73 C:19 19.77 -15.69 C:11 14.98 -12.89 C:12 13.84 -12.19 C:7 19.77 -13.41 C:2 17.08 -9.56 C:14 14.98 -10.17 C:9 16.95 -13.36 C:17 18.40 -15.29 C:10 16.14 -12.19 C:1 16.14 -10.86 C:8 18.40 -13.89 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -1 34 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -1 14 26 2 14 30 1 15 16 1 15 26 1 16 31 1 17 29 1 17 32 1 18 23 1 31 18 -1 19 24 1 32 19 -2 20 27 1 30 20 -2 21 25 1 33 21 -1 22 34 1 37 22 -2 27 34 1 28 29 1 28 35 1 30 37 1 31 36 1 32 36 1 33 35 1 33 37 1 34 37 1 35 36 1', '37 40 H 16.86 -11.69 C 16.71 -5.88 C 13.73 -6.69 C 15.95 -16.95 C 21.94 -10.17 C 14.98 -14.28 C 17.26 -16.09 C 16.14 -9.27 O 18.66 -7.28 O 12.52 -8.81 O 13.96 -15.58 O 20.22 -17.01 O 12.62 -12.89 C 20.60 -12.19 C 19.77 -9.56 C 18.40 -9.15 C 13.84 -10.86 O 16.48 -8.29 O 14.98 -8.81 O 20.60 -14.59 O 16.14 -14.54 O 19.61 -14.54 C 17.26 -7.15 C 13.73 -8.08 C 15.35 -15.69 C 20.60 -10.73 C 19.77 -15.69 C 14.98 -12.89 C 13.84 -12.19 C 19.77 -13.41 C 17.08 -9.56 C 14.98 -10.17 C 16.95 -13.36 C 18.40 -15.29 C 16.14 -12.19 C 16.14 -10.86 C 18.40 -13.89 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -1 34 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -1 14 26 2 14 30 1 15 16 1 15 26 1 16 31 1 17 29 1 17 32 1 18 23 1 31 18 -1 19 24 1 32 19 -2 20 27 1 30 20 -2 21 25 1 33 21 -1 22 34 1 37 22 -2 27 34 1 28 29 1 28 35 1 30 37 1 31 36 1 32 36 1 33 35 1 33 37 1 34 37 1 35 36 1', '37 40 H 16.86 -11.69 C:22 16.71 -5.88 C:21 13.73 -6.69 C:21 15.95 -16.95 C:27 21.94 -10.17 C:9 14.98 -14.28 C:11 17.26 -16.09 C:15 16.14 -9.27 O 18.66 -7.28 O 12.52 -8.81 O 13.96 -15.58 O 20.22 -17.01 O 12.62 -12.89 C:118 20.60 -12.19 C:29 19.77 -9.56 C:32 18.40 -9.15 C:29 13.84 -10.86 O 16.48 -8.29 O 14.98 -8.81 O 20.60 -14.59 O 16.14 -14.54 O 19.61 -14.54 C:171 17.26 -7.15 C:168 13.73 -8.08 C:170 15.35 -15.69 C:145 20.60 -10.73 C:171 19.77 -15.69 C:45 14.98 -12.89 C:67 13.84 -12.19 C:75 19.77 -13.41 C:75 17.08 -9.56 C:76 14.98 -10.17 C:74 16.95 -13.36 C:65 18.40 -15.29 C:41 16.14 -12.19 C:46 16.14 -10.86 C:71 18.40 -13.89 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -1 34 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 29 13 -1 14 26 2 14 30 1 15 16 1 15 26 1 16 31 1 17 29 1 17 32 1 18 23 1 31 18 -1 19 24 1 32 19 -2 20 27 1 30 20 -2 21 25 1 33 21 -1 22 34 1 37 22 -2 27 34 1 28 29 1 28 35 1 30 37 1 31 36 1 32 36 1 33 35 1 33 37 1 34 37 1 35 36 1', 'C26H36O10', 508.28, 'C', 'tt08_2596_1', 4029, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16057, 'Briaexcavatin J', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C@@H:11]([CH3:20])[C@@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@H:4](O)[C:5]([CH2:16]O[C:16001]([CH3:16002])=O)=[CH:6][C@@H:7]2O[C:19](=O)[C@@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14[C@@H](C)[C@@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](O)C(COC(C)=O)=C[C@@H]2OC(=O)[C@@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:42]14[C@@H:45]([CH3:99])[C@@H:67](O)[CH2:29][C@H:76](O[C:171]([CH3:21])=O)[C@:46]1([CH3:16])[C@@H:74](O[C:171]([CH3:21])=O)[CH2:40][C@@H:69](O)[C:146]([CH2:68]O[C:168]([CH3:21])=O)=[CH:125][C@@H:73]2O[C:170](=O)[C@@:65]3([CH3:11])O[C@:71]23[C@H:74]4O[C:171]([CH3:21])=O', '42 45 H 15.13 -11.68 C:16002 23.72 -10.71 C:2002 14.98 -5.88 C:14002 11.99 -6.69 C:9002 14.15 -16.94 C:20 13.24 -14.27 C:18 15.53 -16.08 C:15 14.41 -9.25 O 22.50 -8.64 O 16.96 -7.28 O 10.77 -8.80 O 12.17 -15.53 O 18.49 -17.01 O 18.86 -8.40 O 10.88 -12.88 C:6 18.86 -12.17 C:16 20.07 -10.04 C:3 16.68 -9.13 C:13 12.10 -10.84 O 21.29 -10.74 O 18.86 -14.58 O 14.76 -8.29 O 13.24 -8.80 O 14.41 -14.53 O 17.88 -14.58 C:16001 22.50 -10.04 C:2001 15.53 -7.15 C:14001 11.99 -8.09 C:9001 13.57 -15.66 C:19 18.04 -15.66 C:5 18.86 -10.71 C:4 18.04 -9.54 C:11 13.24 -12.88 C:12 12.10 -12.17 C:7 18.04 -13.41 C:2 15.35 -9.54 C:14 13.24 -10.16 C:9 15.22 -13.36 C:17 16.68 -15.29 C:10 14.41 -12.17 C:1 14.41 -10.84 C:8 16.68 -13.88 40 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 33 6 -1 39 7 -1 41 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 30 2 32 14 -1 34 15 -1 16 31 2 16 35 1 17 20 1 17 31 1 18 32 1 18 36 1 19 34 1 19 37 1 20 26 1 21 30 1 35 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -2 24 29 1 38 24 -1 25 39 1 42 25 -2 30 39 1 31 32 1 33 34 1 33 40 1 35 42 1 36 41 1 37 41 1 38 40 1 38 42 1 39 42 1 40 41 1', '42 45 H 15.13 -11.68 C 23.72 -10.71 C 14.98 -5.88 C 11.99 -6.69 C 14.15 -16.94 C 13.24 -14.27 C 15.53 -16.08 C 14.41 -9.25 O 22.50 -8.64 O 16.96 -7.28 O 10.77 -8.80 O 12.17 -15.53 O 18.49 -17.01 O 18.86 -8.40 O 10.88 -12.88 C 18.86 -12.17 C 20.07 -10.04 C 16.68 -9.13 C 12.10 -10.84 O 21.29 -10.74 O 18.86 -14.58 O 14.76 -8.29 O 13.24 -8.80 O 14.41 -14.53 O 17.88 -14.58 C 22.50 -10.04 C 15.53 -7.15 C 11.99 -8.09 C 13.57 -15.66 C 18.04 -15.66 C 18.86 -10.71 C 18.04 -9.54 C 13.24 -12.88 C 12.10 -12.17 C 18.04 -13.41 C 15.35 -9.54 C 13.24 -10.16 C 15.22 -13.36 C 16.68 -15.29 C 14.41 -12.17 C 14.41 -10.84 C 16.68 -13.88 40 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 33 6 -1 39 7 -1 41 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 30 2 32 14 -1 34 15 -1 16 31 2 16 35 1 17 20 1 17 31 1 18 32 1 18 36 1 19 34 1 19 37 1 20 26 1 21 30 1 35 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -2 24 29 1 38 24 -1 25 39 1 42 25 -2 30 39 1 31 32 1 33 34 1 33 40 1 35 42 1 36 41 1 37 41 1 38 40 1 38 42 1 39 42 1 40 41 1', '42 45 H 15.13 -11.68 C:21 23.72 -10.71 C:21 14.98 -5.88 C:21 11.99 -6.69 C:21 14.15 -16.94 C:9 13.24 -14.27 C:11 15.53 -16.08 C:16 14.41 -9.25 O 22.50 -8.64 O 16.96 -7.28 O 10.77 -8.80 O 12.17 -15.53 O 18.49 -17.01 O 18.86 -8.40 O 10.88 -12.88 C:125 18.86 -12.17 C:68 20.07 -10.04 C:40 16.68 -9.13 C:29 12.10 -10.84 O 21.29 -10.74 O 18.86 -14.58 O 14.76 -8.29 O 13.24 -8.80 O 14.41 -14.53 O 17.88 -14.58 C:168 22.50 -10.04 C:171 15.53 -7.15 C:171 11.99 -8.09 C:171 13.57 -15.66 C:170 18.04 -15.66 C:146 18.86 -10.71 C:69 18.04 -9.54 C:45 13.24 -12.88 C:67 12.10 -12.17 C:73 18.04 -13.41 C:74 15.35 -9.54 C:76 13.24 -10.16 C:74 15.22 -13.36 C:65 16.68 -15.29 C:42 14.41 -12.17 C:46 14.41 -10.84 C:71 16.68 -13.88 40 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 33 6 -1 39 7 -1 41 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 30 2 32 14 -1 34 15 -1 16 31 2 16 35 1 17 20 1 17 31 1 18 32 1 18 36 1 19 34 1 19 37 1 20 26 1 21 30 1 35 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -2 24 29 1 38 24 -1 25 39 1 42 25 -2 30 39 1 31 32 1 33 34 1 33 40 1 35 42 1 36 41 1 37 41 1 38 40 1 38 42 1 39 42 1 40 41 1', 'C28H38O13', 582.3, 'C', 'tt08_2596_2', 4029, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16058, 'Briaexcavatin K', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](O)C[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@]4(C)O', '[H][C@@:44]34[C@H:67](O[C:170]([CH3:21])=O)[C@:70]12O[C@:63]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:122]=[C:147]([CH3:26])[C@H:71](O)[CH2:41][C@H:78](O[C:171]([CH3:22])=O)[C@@:45]3([CH3:18])[CH:139]=[CH:124][C@@H:72](O)[C@:75]4([CH3:28])O', '35 38 H 16.85 -11.64 C:2002 16.70 -5.84 C:9002 15.88 -16.90 C:16 21.92 -10.12 C:20 15.65 -14.05 C:15 16.13 -9.22 C:18 17.25 -16.04 O 18.68 -7.24 O 13.90 -15.48 O 20.20 -16.96 O 20.58 -8.37 O 12.60 -12.85 O 14.25 -14.05 C:13 13.83 -10.81 C:14 14.97 -10.12 C:6 20.58 -12.14 C:3 18.39 -9.10 O 16.47 -8.24 O 20.58 -14.49 O 16.13 -14.49 O 19.59 -14.49 C:2001 17.25 -7.11 C:9001 15.30 -15.62 C:5 20.58 -10.68 C:19 19.75 -15.62 C:4 19.75 -9.51 C:12 13.83 -12.14 C:7 19.75 -13.33 C:2 17.07 -9.51 C:9 16.94 -13.33 C:11 14.97 -12.85 C:1 16.13 -10.81 C:17 18.39 -15.24 C:10 16.13 -12.14 C:8 18.39 -13.84 34 1 -2 2 22 1 3 23 1 4 24 1 31 5 -2 32 6 -1 33 7 -1 8 22 2 9 23 2 10 25 2 26 11 -1 27 12 -2 31 13 -1 14 15 2 14 27 1 15 32 1 16 24 2 16 28 1 17 26 1 17 29 1 18 22 1 29 18 -1 19 25 1 28 19 -2 20 23 1 30 20 -1 21 33 1 35 21 -2 24 26 1 25 33 1 27 31 1 28 35 1 29 32 1 30 34 1 30 35 1 31 34 1 32 34 1 33 35 1', '35 38 H 16.85 -11.64 C 16.70 -5.84 C 15.88 -16.90 C 21.92 -10.12 C 15.65 -14.05 C 16.13 -9.22 C 17.25 -16.04 O 18.68 -7.24 O 13.90 -15.48 O 20.20 -16.96 O 20.58 -8.37 O 12.60 -12.85 O 14.25 -14.05 C 13.83 -10.81 C 14.97 -10.12 C 20.58 -12.14 C 18.39 -9.10 O 16.47 -8.24 O 20.58 -14.49 O 16.13 -14.49 O 19.59 -14.49 C 17.25 -7.11 C 15.30 -15.62 C 20.58 -10.68 C 19.75 -15.62 C 19.75 -9.51 C 13.83 -12.14 C 19.75 -13.33 C 17.07 -9.51 C 16.94 -13.33 C 14.97 -12.85 C 16.13 -10.81 C 18.39 -15.24 C 16.13 -12.14 C 18.39 -13.84 34 1 -2 2 22 1 3 23 1 4 24 1 31 5 -2 32 6 -1 33 7 -1 8 22 2 9 23 2 10 25 2 26 11 -1 27 12 -2 31 13 -1 14 15 2 14 27 1 15 32 1 16 24 2 16 28 1 17 26 1 17 29 1 18 22 1 29 18 -1 19 25 1 28 19 -2 20 23 1 30 20 -1 21 33 1 35 21 -2 24 26 1 25 33 1 27 31 1 28 35 1 29 32 1 30 34 1 30 35 1 31 34 1 32 34 1 33 35 1', '35 38 H 16.85 -11.64 C:22 16.70 -5.84 C:21 15.88 -16.90 C:26 21.92 -10.12 C:28 15.65 -14.05 C:18 16.13 -9.22 C:10 17.25 -16.04 O 18.68 -7.24 O 13.90 -15.48 O 20.20 -16.96 O 20.58 -8.37 O 12.60 -12.85 O 14.25 -14.05 C:124 13.83 -10.81 C:139 14.97 -10.12 C:122 20.58 -12.14 C:41 18.39 -9.10 O 16.47 -8.24 O 20.58 -14.49 O 16.13 -14.49 O 19.59 -14.49 C:171 17.25 -7.11 C:170 15.30 -15.62 C:147 20.58 -10.68 C:171 19.75 -15.62 C:71 19.75 -9.51 C:72 13.83 -12.14 C:74 19.75 -13.33 C:78 17.07 -9.51 C:67 16.94 -13.33 C:75 14.97 -12.85 C:45 16.13 -10.81 C:63 18.39 -15.24 C:44 16.13 -12.14 C:70 18.39 -13.84 34 1 -2 2 22 1 3 23 1 4 24 1 31 5 -2 32 6 -1 33 7 -1 8 22 2 9 23 2 10 25 2 26 11 -1 27 12 -2 31 13 -1 14 15 2 14 27 1 15 32 1 16 24 2 16 28 1 17 26 1 17 29 1 18 22 1 29 18 -1 19 25 1 28 19 -2 20 23 1 30 20 -1 21 33 1 35 21 -2 24 26 1 25 33 1 27 31 1 28 35 1 29 32 1 30 34 1 30 35 1 31 34 1 32 34 1 33 35 1', 'C24H32O10', 480.259, 'C', 'tt08_2596_3', 4029, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16059, 'Briaexcavatin L', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)O', '[H][C@@:49]34[C@H:67](O[C:170]([CH3:21])=O)[C@:71]12O[C@:66]1([CH3:10])[C:170](=O)O[C@H:74]2[CH:122]=[C:146]([CH3:25])[C@H:71](O)[CH2:40][C@H:74](O[C:170]([CH3:21])=O)[C@@:48]3([CH3:14])[C@@H:75](O[C:168]([CH3:21])=O)[CH2:30][C@H:73](O)[C@@:78]4([CH3:17])O', '39 42 H 16.89 -11.68 C:2002 16.74 -5.87 C:14002 13.78 -6.68 C:9002 15.92 -16.91 C:16 21.96 -10.15 C:20 15.75 -14.11 C:18 17.29 -16.06 C:15 16.18 -9.26 O 18.73 -7.26 O 12.56 -8.79 O 13.96 -15.52 O 20.24 -16.98 O 20.62 -8.39 O 12.66 -12.88 O 14.35 -14.11 C:6 20.62 -12.18 C:3 18.44 -9.14 C:13 13.84 -10.85 O 16.51 -8.27 O 15.03 -8.79 O 16.18 -14.52 O 20.62 -14.57 O 19.63 -14.57 C:2001 17.29 -7.13 C:14001 13.78 -8.06 C:9001 15.36 -15.66 C:5 20.62 -10.72 C:19 19.79 -15.66 C:4 19.79 -9.54 C:12 13.84 -12.18 C:7 19.79 -13.41 C:2 17.11 -9.54 C:14 15.03 -10.15 C:9 16.98 -13.36 C:11 15.03 -12.88 C:17 18.44 -15.28 C:10 16.18 -12.18 C:1 16.18 -10.85 C:8 18.44 -13.88 37 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 35 6 -1 36 7 -1 38 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 29 13 -1 30 14 -1 35 15 -2 16 27 2 16 31 1 17 29 1 17 32 1 18 30 1 18 33 1 19 24 1 32 19 -1 20 25 1 33 20 -2 21 26 1 34 21 -1 22 28 1 31 22 -2 23 36 1 39 23 -2 27 29 1 28 36 1 30 35 1 31 39 1 32 38 1 33 38 1 34 37 1 34 39 1 35 37 1 36 39 1 37 38 1', '39 42 H 16.89 -11.68 C 16.74 -5.87 C 13.78 -6.68 C 15.92 -16.91 C 21.96 -10.15 C 15.75 -14.11 C 17.29 -16.06 C 16.18 -9.26 O 18.73 -7.26 O 12.56 -8.79 O 13.96 -15.52 O 20.24 -16.98 O 20.62 -8.39 O 12.66 -12.88 O 14.35 -14.11 C 20.62 -12.18 C 18.44 -9.14 C 13.84 -10.85 O 16.51 -8.27 O 15.03 -8.79 O 16.18 -14.52 O 20.62 -14.57 O 19.63 -14.57 C 17.29 -7.13 C 13.78 -8.06 C 15.36 -15.66 C 20.62 -10.72 C 19.79 -15.66 C 19.79 -9.54 C 13.84 -12.18 C 19.79 -13.41 C 17.11 -9.54 C 15.03 -10.15 C 16.98 -13.36 C 15.03 -12.88 C 18.44 -15.28 C 16.18 -12.18 C 16.18 -10.85 C 18.44 -13.88 37 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 35 6 -1 36 7 -1 38 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 29 13 -1 30 14 -1 35 15 -2 16 27 2 16 31 1 17 29 1 17 32 1 18 30 1 18 33 1 19 24 1 32 19 -1 20 25 1 33 20 -2 21 26 1 34 21 -1 22 28 1 31 22 -2 23 36 1 39 23 -2 27 29 1 28 36 1 30 35 1 31 39 1 32 38 1 33 38 1 34 37 1 34 39 1 35 37 1 36 39 1 37 38 1', '39 42 H 16.89 -11.68 C:21 16.74 -5.87 C:21 13.78 -6.68 C:21 15.92 -16.91 C:25 21.96 -10.15 C:17 15.75 -14.11 C:10 17.29 -16.06 C:14 16.18 -9.26 O 18.73 -7.26 O 12.56 -8.79 O 13.96 -15.52 O 20.24 -16.98 O 20.62 -8.39 O 12.66 -12.88 O 14.35 -14.11 C:122 20.62 -12.18 C:40 18.44 -9.14 C:30 13.84 -10.85 O 16.51 -8.27 O 15.03 -8.79 O 16.18 -14.52 O 20.62 -14.57 O 19.63 -14.57 C:170 17.29 -7.13 C:168 13.78 -8.06 C:170 15.36 -15.66 C:146 20.62 -10.72 C:170 19.79 -15.66 C:71 19.79 -9.54 C:73 13.84 -12.18 C:74 19.79 -13.41 C:74 17.11 -9.54 C:75 15.03 -10.15 C:67 16.98 -13.36 C:78 15.03 -12.88 C:66 18.44 -15.28 C:49 16.18 -12.18 C:48 16.18 -10.85 C:71 18.44 -13.88 37 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 35 6 -1 36 7 -1 38 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 29 13 -1 30 14 -1 35 15 -2 16 27 2 16 31 1 17 29 1 17 32 1 18 30 1 18 33 1 19 24 1 32 19 -1 20 25 1 33 20 -2 21 26 1 34 21 -1 22 28 1 31 22 -2 23 36 1 39 23 -2 27 29 1 28 36 1 30 35 1 31 39 1 32 38 1 33 38 1 34 37 1 34 39 1 35 37 1 36 39 1 37 38 1', 'C26H36O12', 540.279, 'C', 'tt08_2596_4', 4029, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16060, 'Fragilide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]45O[C@:4](O)([CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH3:2003])[C@@:1]1([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@:11]23[CH2:20]O3)[C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]4O[C:19](=O)[C@@H:17]5[CH3:18]', '[H][C@@]12[C@H](OC(C)=O)[C@@]45O[C@](O)(C[C@H](OC(=O)CC)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]23CO3)C(=C)[C@H](Cl)[C@@H]4OC(=O)[C@@H]5C', '[H][C@@:41]12[C@H:72](O[C:170]([CH3:21])=O)[C@@:81]45O[C@:97](O)([CH2:41][C@H:73](O[C:177](=O)[CH2:28][CH3:9])[C@@:47]1([CH3:16])[C@@H:74](O[C:169]([CH3:22])=O)[CH2:25][CH2:30][C@:56]23[CH2:51]O3)[C:138](=[CH2:118])[C@H:55](Cl)[C@@H:79]4O[C:174](=O)[C@@H:50]5[CH3:7]', '40 44 H 15.77 -11.22 C:16 20.70 -9.80 C:2003 18.04 -4.88 C:14002 12.80 -6.41 C:9002 15.05 -16.33 C:18 16.15 -15.44 C:15 15.05 -8.88 O 11.61 -8.43 O 13.06 -15.14 O 18.09 -7.63 O 19.01 -16.33 O 19.37 -8.03 Cl 20.70 -12.13 C:2002 16.83 -5.59 C:13 12.85 -10.41 C:12 12.85 -11.69 C:20 13.97 -13.71 C:3 17.27 -8.75 O 12.80 -13.02 O 13.97 -8.43 O 15.77 -7.82 O 15.15 -14.00 O 19.37 -14.00 O 17.27 -10.96 C:14001 12.80 -7.73 C:9001 14.43 -15.14 C:2001 16.85 -6.99 C:5 19.37 -10.29 C:19 18.58 -15.06 C:17 17.27 -14.67 C:6 19.37 -11.69 C:14 13.97 -9.75 C:2 15.99 -9.15 C:7 18.58 -12.84 C:9 15.86 -12.84 C:10 15.05 -11.69 C:4 18.58 -9.15 C:1 15.05 -10.41 C:11 13.97 -12.36 C:8 17.27 -13.34 36 1 -2 2 28 2 3 14 1 4 25 1 5 26 1 30 6 -2 38 7 -1 8 25 2 9 26 2 10 27 2 11 29 2 37 12 -1 31 13 -2 14 27 1 15 16 1 15 32 1 16 39 1 17 19 1 39 17 -1 18 33 1 18 37 1 39 19 -2 20 25 1 32 20 -2 21 27 1 33 21 -1 22 26 1 35 22 -1 23 29 1 34 23 -2 24 37 1 40 24 -2 28 31 1 28 37 1 29 30 1 30 40 1 31 34 1 32 38 1 33 38 1 34 40 1 35 36 1 35 40 1 36 38 1 36 39 1', '40 44 H 15.77 -11.22 C 20.70 -9.80 C 18.04 -4.88 C 12.80 -6.41 C 15.05 -16.33 C 16.15 -15.44 C 15.05 -8.88 O 11.61 -8.43 O 13.06 -15.14 O 18.09 -7.63 O 19.01 -16.33 O 19.37 -8.03 Cl 20.70 -12.13 C 16.83 -5.59 C 12.85 -10.41 C 12.85 -11.69 C 13.97 -13.71 C 17.27 -8.75 O 12.80 -13.02 O 13.97 -8.43 O 15.77 -7.82 O 15.15 -14.00 O 19.37 -14.00 O 17.27 -10.96 C 12.80 -7.73 C 14.43 -15.14 C 16.85 -6.99 C 19.37 -10.29 C 18.58 -15.06 C 17.27 -14.67 C 19.37 -11.69 C 13.97 -9.75 C 15.99 -9.15 C 18.58 -12.84 C 15.86 -12.84 C 15.05 -11.69 C 18.58 -9.15 C 15.05 -10.41 C 13.97 -12.36 C 17.27 -13.34 36 1 -2 2 28 2 3 14 1 4 25 1 5 26 1 30 6 -2 38 7 -1 8 25 2 9 26 2 10 27 2 11 29 2 37 12 -1 31 13 -2 14 27 1 15 16 1 15 32 1 16 39 1 17 19 1 39 17 -1 18 33 1 18 37 1 39 19 -2 20 25 1 32 20 -2 21 27 1 33 21 -1 22 26 1 35 22 -1 23 29 1 34 23 -2 24 37 1 40 24 -2 28 31 1 28 37 1 29 30 1 30 40 1 31 34 1 32 38 1 33 38 1 34 40 1 35 36 1 35 40 1 36 38 1 36 39 1', '40 44 H 15.77 -11.22 C:118 20.70 -9.80 C:9 18.04 -4.88 C:22 12.80 -6.41 C:21 15.05 -16.33 C:7 16.15 -15.44 C:16 15.05 -8.88 O 11.61 -8.43 O 13.06 -15.14 O 18.09 -7.63 O 19.01 -16.33 O 19.37 -8.03 Cl 20.70 -12.13 C:28 16.83 -5.59 C:25 12.85 -10.41 C:30 12.85 -11.69 C:51 13.97 -13.71 C:41 17.27 -8.75 O 12.80 -13.02 O 13.97 -8.43 O 15.77 -7.82 O 15.15 -14.00 O 19.37 -14.00 O 17.27 -10.96 C:169 12.80 -7.73 C:170 14.43 -15.14 C:177 16.85 -6.99 C:138 19.37 -10.29 C:174 18.58 -15.06 C:50 17.27 -14.67 C:55 19.37 -11.69 C:74 13.97 -9.75 C:73 15.99 -9.15 C:79 18.58 -12.84 C:72 15.86 -12.84 C:41 15.05 -11.69 C:97 18.58 -9.15 C:47 15.05 -10.41 C:56 13.97 -12.36 C:81 17.27 -13.34 36 1 -2 2 28 2 3 14 1 4 25 1 5 26 1 30 6 -2 38 7 -1 8 25 2 9 26 2 10 27 2 11 29 2 37 12 -1 31 13 -2 14 27 1 15 16 1 15 32 1 16 39 1 17 19 1 39 17 -1 18 33 1 18 37 1 39 19 -2 20 25 1 32 20 -2 21 27 1 33 21 -1 22 26 1 35 22 -1 23 29 1 34 23 -2 24 37 1 40 24 -2 28 31 1 28 37 1 29 30 1 30 40 1 31 34 1 32 38 1 33 38 1 34 40 1 35 36 1 35 40 1 36 38 1 36 39 1', 'C27H35ClO11', 570.743, 'C', 'tt08_2596_10', 4029, '', 'Junceella fragilis', '1', 45, 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
(16061, 'Junceol A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11](=[CH2:20])[CH2:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@@H:4](O[C:4001](=O)[CH2:4002][CH:4003]([CH3:4005])[CH3:4004])[C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(=C)CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)CC(C)C)C(C)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:42]13[C:151](=[CH2:113])[CH2:26][CH2:28][C@H:74](O[C:170]([CH3:21])=O)[C@:47]1([CH3:15])[C@@H:72](O[C:169]([CH3:22])=O)[CH2:38][C@@H:72](O[C:172](=O)[CH2:43][CH:26]([CH3:22])[CH3:23])[C:145]([CH3:26])=[CH:124][C@@H:77]2O[C:176](=O)[C@H:43]([CH3:6])[C@@:83]2(O)[C@H:71]3O[C:171]([CH3:21])=O', '43 45 H 14.20 -10.83 C:20 12.34 -13.40 C:14002 11.12 -5.84 C:2002 15.36 -5.07 C:9002 13.47 -16.15 C:16 19.32 -9.29 C:4005 22.13 -7.98 C:4004 22.38 -5.57 C:18 14.61 -15.23 C:15 13.47 -8.40 O 9.90 -7.91 O 16.64 -7.00 O 11.41 -14.85 O 19.93 -8.95 O 17.59 -16.15 O 15.77 -11.63 C:6 17.96 -11.33 C:12 11.19 -11.33 C:13 11.19 -9.97 C:4002 20.17 -6.57 C:3 15.77 -8.28 O 12.34 -7.91 O 14.20 -7.32 O 13.58 -13.71 O 17.96 -7.55 O 17.96 -13.71 C:14001 11.12 -7.23 C:2001 15.35 -6.47 C:9001 12.81 -14.91 C:11 12.34 -12.00 C:5 17.96 -9.84 C:4001 19.32 -7.69 C:19 17.13 -14.85 C:4003 21.56 -6.71 C:17 15.77 -14.43 C:4 17.13 -8.69 C:7 17.13 -12.51 C:14 12.34 -9.29 C:2 14.43 -8.69 C:9 14.30 -12.51 C:10 13.47 -11.33 C:1 13.47 -9.97 C:8 15.77 -13.02 41 1 -2 2 30 2 3 27 1 4 28 1 5 29 1 6 31 1 7 34 1 8 34 1 35 9 -2 42 10 -1 11 27 2 12 28 2 13 29 2 14 32 2 15 33 2 43 16 -2 17 31 2 17 37 1 18 19 1 18 30 1 19 38 1 20 32 1 20 34 1 21 36 1 21 39 1 22 27 1 38 22 -2 23 28 1 39 23 -1 24 29 1 40 24 -1 25 32 1 36 25 -1 26 33 1 37 26 -2 30 41 1 31 36 1 33 35 1 35 43 1 37 43 1 38 42 1 39 42 1 40 41 1 40 43 1 41 42 1', '43 45 H 14.20 -10.83 C 12.34 -13.40 C 11.12 -5.84 C 15.36 -5.07 C 13.47 -16.15 C 19.32 -9.29 C 22.13 -7.98 C 22.38 -5.57 C 14.61 -15.23 C 13.47 -8.40 O 9.90 -7.91 O 16.64 -7.00 O 11.41 -14.85 O 19.93 -8.95 O 17.59 -16.15 O 15.77 -11.63 C 17.96 -11.33 C 11.19 -11.33 C 11.19 -9.97 C 20.17 -6.57 C 15.77 -8.28 O 12.34 -7.91 O 14.20 -7.32 O 13.58 -13.71 O 17.96 -7.55 O 17.96 -13.71 C 11.12 -7.23 C 15.35 -6.47 C 12.81 -14.91 C 12.34 -12.00 C 17.96 -9.84 C 19.32 -7.69 C 17.13 -14.85 C 21.56 -6.71 C 15.77 -14.43 C 17.13 -8.69 C 17.13 -12.51 C 12.34 -9.29 C 14.43 -8.69 C 14.30 -12.51 C 13.47 -11.33 C 13.47 -9.97 C 15.77 -13.02 41 1 -2 2 30 2 3 27 1 4 28 1 5 29 1 6 31 1 7 34 1 8 34 1 35 9 -2 42 10 -1 11 27 2 12 28 2 13 29 2 14 32 2 15 33 2 43 16 -2 17 31 2 17 37 1 18 19 1 18 30 1 19 38 1 20 32 1 20 34 1 21 36 1 21 39 1 22 27 1 38 22 -2 23 28 1 39 23 -1 24 29 1 40 24 -1 25 32 1 36 25 -1 26 33 1 37 26 -2 30 41 1 31 36 1 33 35 1 35 43 1 37 43 1 38 42 1 39 42 1 40 41 1 40 43 1 41 42 1', '43 45 H 14.20 -10.83 C:113 12.34 -13.40 C:21 11.12 -5.84 C:22 15.36 -5.07 C:21 13.47 -16.15 C:26 19.32 -9.29 C:22 22.13 -7.98 C:23 22.38 -5.57 C:6 14.61 -15.23 C:15 13.47 -8.40 O 9.90 -7.91 O 16.64 -7.00 O 11.41 -14.85 O 19.93 -8.95 O 17.59 -16.15 O 15.77 -11.63 C:124 17.96 -11.33 C:26 11.19 -11.33 C:28 11.19 -9.97 C:43 20.17 -6.57 C:38 15.77 -8.28 O 12.34 -7.91 O 14.20 -7.32 O 13.58 -13.71 O 17.96 -7.55 O 17.96 -13.71 C:170 11.12 -7.23 C:169 15.35 -6.47 C:171 12.81 -14.91 C:151 12.34 -12.00 C:145 17.96 -9.84 C:172 19.32 -7.69 C:176 17.13 -14.85 C:26 21.56 -6.71 C:43 15.77 -14.43 C:72 17.13 -8.69 C:77 17.13 -12.51 C:74 12.34 -9.29 C:72 14.43 -8.69 C:71 14.30 -12.51 C:42 13.47 -11.33 C:47 13.47 -9.97 C:83 15.77 -13.02 41 1 -2 2 30 2 3 27 1 4 28 1 5 29 1 6 31 1 7 34 1 8 34 1 35 9 -2 42 10 -1 11 27 2 12 28 2 13 29 2 14 32 2 15 33 2 43 16 -2 17 31 2 17 37 1 18 19 1 18 30 1 19 38 1 20 32 1 20 34 1 21 36 1 21 39 1 22 27 1 38 22 -2 23 28 1 39 23 -1 24 29 1 40 24 -1 25 32 1 36 25 -1 26 33 1 37 26 -2 30 41 1 31 36 1 33 35 1 35 43 1 37 43 1 38 42 1 39 42 1 40 41 1 40 43 1 41 42 1', 'C31H44O11', 592.333, 'C', 'tt08_4224_1', 4030, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16062, 'Junceol B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH:2002]([CH3:2003])[CH3:2201])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13004])[CH3:13301])[C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:35]23[C@H:72](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:51]([CH3:6])[C:174](=O)O[C@H:81]1[C@@H:54](Cl)[C:147](=[CH2:121])[CH2:34][CH2:28][C@H:72](O[C:177](=O)[CH:34]([CH3:19])[CH3:18])[C@@:47]2([CH3:14])[C@@H:73](O[C:169]([CH3:21])=O)[C@@H:67](O[C:172](=O)[CH2:43][CH:25]([CH3:22])[CH3:22])[C@@H:74](O[C:169]([CH3:21])=O)[C@:57]34[CH2:50]O4', '51 54 H 19.27 -12.27 C:16 24.33 -10.80 C:14002 16.19 -7.26 C:12002 12.63 -13.49 C:9002 18.53 -17.58 C:13004 10.19 -10.80 C:13301 11.39 -8.68 C:2003 20.09 -5.26 C:2201 17.88 -6.20 C:18 19.67 -16.66 C:15 18.53 -9.82 O 14.95 -9.36 O 13.82 -11.38 O 16.48 -16.33 O 13.82 -8.68 O 21.18 -7.83 O 22.64 -17.58 O 20.83 -13.07 Cl 24.33 -13.23 C:4 22.19 -10.08 C:3 20.83 -9.68 C:20 17.40 -14.84 C:13002 12.63 -10.80 O 16.19 -14.13 O 17.40 -9.36 O 15.04 -13.49 O 18.65 -15.14 O 18.94 -8.79 O 15.04 -10.80 O 23.01 -15.14 C:14001 16.19 -8.68 C:12001 13.82 -12.79 C:9001 17.88 -16.33 C:5 23.01 -11.29 C:13001 13.82 -10.08 C:2001 19.79 -7.67 C:19 22.19 -16.25 C:13003 11.39 -10.08 C:2002 19.27 -6.37 C:17 20.83 -15.84 C:6 23.01 -12.79 C:2 19.49 -10.08 C:13 16.26 -11.38 C:7 22.19 -13.94 C:14 17.40 -10.80 C:12 16.26 -12.79 C:9 19.36 -13.94 C:10 18.53 -12.79 C:1 18.53 -11.38 C:8 20.83 -14.45 C:11 17.40 -13.43 48 1 -2 2 34 2 3 31 1 4 32 1 5 33 1 6 38 1 7 38 1 8 39 1 9 39 1 40 10 -2 49 11 -1 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 37 2 50 18 -2 41 19 -2 20 21 1 20 34 1 21 42 1 22 24 1 51 22 -1 23 35 1 23 38 1 51 24 -2 25 31 1 45 25 -2 26 32 1 46 26 -2 27 33 1 47 27 -1 28 36 1 42 28 -1 29 35 1 43 29 -2 30 37 1 44 30 -2 34 41 1 36 39 1 37 40 1 40 50 1 41 44 1 42 49 1 43 45 1 43 46 1 44 50 1 45 49 1 46 51 1 47 48 1 47 50 1 48 49 1 48 51 1', '51 54 H 19.27 -12.27 C 24.33 -10.80 C 16.19 -7.26 C 12.63 -13.49 C 18.53 -17.58 C 10.19 -10.80 C 11.39 -8.68 C 20.09 -5.26 C 17.88 -6.20 C 19.67 -16.66 C 18.53 -9.82 O 14.95 -9.36 O 13.82 -11.38 O 16.48 -16.33 O 13.82 -8.68 O 21.18 -7.83 O 22.64 -17.58 O 20.83 -13.07 Cl 24.33 -13.23 C 22.19 -10.08 C 20.83 -9.68 C 17.40 -14.84 C 12.63 -10.80 O 16.19 -14.13 O 17.40 -9.36 O 15.04 -13.49 O 18.65 -15.14 O 18.94 -8.79 O 15.04 -10.80 O 23.01 -15.14 C 16.19 -8.68 C 13.82 -12.79 C 17.88 -16.33 C 23.01 -11.29 C 13.82 -10.08 C 19.79 -7.67 C 22.19 -16.25 C 11.39 -10.08 C 19.27 -6.37 C 20.83 -15.84 C 23.01 -12.79 C 19.49 -10.08 C 16.26 -11.38 C 22.19 -13.94 C 17.40 -10.80 C 16.26 -12.79 C 19.36 -13.94 C 18.53 -12.79 C 18.53 -11.38 C 20.83 -14.45 C 17.40 -13.43 48 1 -2 2 34 2 3 31 1 4 32 1 5 33 1 6 38 1 7 38 1 8 39 1 9 39 1 40 10 -2 49 11 -1 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 37 2 50 18 -2 41 19 -2 20 21 1 20 34 1 21 42 1 22 24 1 51 22 -1 23 35 1 23 38 1 51 24 -2 25 31 1 45 25 -2 26 32 1 46 26 -2 27 33 1 47 27 -1 28 36 1 42 28 -1 29 35 1 43 29 -2 30 37 1 44 30 -2 34 41 1 36 39 1 37 40 1 40 50 1 41 44 1 42 49 1 43 45 1 43 46 1 44 50 1 45 49 1 46 51 1 47 48 1 47 50 1 48 49 1 48 51 1', '51 54 H 19.27 -12.27 C:121 24.33 -10.80 C:21 16.19 -7.26 C:21 12.63 -13.49 C:21 18.53 -17.58 C:22 10.19 -10.80 C:22 11.39 -8.68 C:19 20.09 -5.26 C:18 17.88 -6.20 C:6 19.67 -16.66 C:14 18.53 -9.82 O 14.95 -9.36 O 13.82 -11.38 O 16.48 -16.33 O 13.82 -8.68 O 21.18 -7.83 O 22.64 -17.58 O 20.83 -13.07 Cl 24.33 -13.23 C:34 22.19 -10.08 C:28 20.83 -9.68 C:50 17.40 -14.84 C:43 12.63 -10.80 O 16.19 -14.13 O 17.40 -9.36 O 15.04 -13.49 O 18.65 -15.14 O 18.94 -8.79 O 15.04 -10.80 O 23.01 -15.14 C:169 16.19 -8.68 C:169 13.82 -12.79 C:170 17.88 -16.33 C:147 23.01 -11.29 C:172 13.82 -10.08 C:177 19.79 -7.67 C:174 22.19 -16.25 C:25 11.39 -10.08 C:34 19.27 -6.37 C:51 20.83 -15.84 C:54 23.01 -12.79 C:72 19.49 -10.08 C:67 16.26 -11.38 C:81 22.19 -13.94 C:73 17.40 -10.80 C:74 16.26 -12.79 C:72 19.36 -13.94 C:35 18.53 -12.79 C:47 18.53 -11.38 C:81 20.83 -14.45 C:57 17.40 -13.43 48 1 -2 2 34 2 3 31 1 4 32 1 5 33 1 6 38 1 7 38 1 8 39 1 9 39 1 40 10 -2 49 11 -1 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 37 2 50 18 -2 41 19 -2 20 21 1 20 34 1 21 42 1 22 24 1 51 22 -1 23 35 1 23 38 1 51 24 -2 25 31 1 45 25 -2 26 32 1 46 26 -2 27 33 1 47 27 -1 28 36 1 42 28 -1 29 35 1 43 29 -2 30 37 1 44 30 -2 34 41 1 36 39 1 37 40 1 40 50 1 41 44 1 42 49 1 43 45 1 43 46 1 44 50 1 45 49 1 46 51 1 47 48 1 47 50 1 48 49 1 48 51 1', 'C35H49ClO14', 728.827, 'C', 'tt08_4224_2', 4030, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16063, 'Junceol C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH:2002]([CH3:2003])[CH3:2201])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13004])[CH3:13301])[C@@H:12](O[C:12001](=O)[CH2:12002][CH:12003]([CH3:12301])[CH3:12004])[C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@]34CO4', '[H][C@@:36]23[C@H:72](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:51]([CH3:6])[C:174](=O)O[C@H:81]1[C@@H:54](Cl)[C:147](=[CH2:121])[CH2:34][CH2:28][C@H:72](O[C:177](=O)[CH:34]([CH3:19])[CH3:18])[C@@:47]2([CH3:14])[C@@H:73](O[C:169]([CH3:21])=O)[C@@H:67](O[C:172](=O)[CH2:43][CH:25]([CH3:22])[CH3:22])[C@@H:73](O[C:172](=O)[CH2:44][CH:26]([CH3:22])[CH3:22])[C@:57]34[CH2:51]O4', '54 57 H 19.27 -12.27 C:16 24.33 -10.80 C:14002 16.18 -7.26 C:9002 18.53 -17.58 C:13004 10.21 -10.80 C:13301 11.41 -8.67 C:12301 11.44 -11.40 C:12004 10.21 -13.50 C:2003 20.09 -5.26 C:2201 17.88 -6.20 C:18 19.67 -16.65 C:15 18.53 -9.81 O 14.94 -9.35 O 16.47 -16.32 O 13.81 -8.67 O 13.81 -11.38 O 21.18 -7.83 O 22.64 -17.58 O 20.83 -13.06 Cl 24.33 -13.22 C:4 22.19 -10.08 C:3 20.83 -9.67 C:20 17.40 -14.83 C:13002 12.63 -10.80 C:12002 12.63 -13.48 O 16.18 -14.12 O 17.40 -9.35 O 18.65 -15.13 O 18.94 -8.78 O 15.03 -10.80 O 15.03 -13.48 O 23.01 -15.13 C:14001 16.18 -8.67 C:9001 17.88 -16.32 C:5 23.01 -11.29 C:13001 13.81 -10.08 C:12001 13.81 -12.79 C:2001 19.79 -7.67 C:19 22.19 -16.24 C:13003 11.41 -10.08 C:12003 11.41 -12.80 C:2002 19.27 -6.37 C:17 20.83 -15.83 C:6 23.01 -12.79 C:2 19.49 -10.08 C:13 16.25 -11.38 C:7 22.19 -13.93 C:14 17.40 -10.80 C:12 16.25 -12.79 C:9 19.36 -13.93 C:10 18.53 -12.79 C:1 18.53 -11.38 C:8 20.83 -14.44 C:11 17.40 -13.42 51 1 -2 2 35 2 3 33 1 4 34 1 5 40 1 6 40 1 7 41 1 8 41 1 9 42 1 10 42 1 43 11 -2 52 12 -1 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 18 39 2 53 19 -2 44 20 -2 21 22 1 21 35 1 22 45 1 23 26 1 54 23 -1 24 36 1 24 40 1 25 37 1 25 41 1 54 26 -2 27 33 1 48 27 -2 28 34 1 50 28 -1 29 38 1 45 29 -1 30 36 1 46 30 -2 31 37 1 49 31 -2 32 39 1 47 32 -2 35 44 1 38 42 1 39 43 1 43 53 1 44 47 1 45 52 1 46 48 1 46 49 1 47 53 1 48 52 1 49 54 1 50 51 1 50 53 1 51 52 1 51 54 1', '54 57 H 19.27 -12.27 C 24.33 -10.80 C 16.18 -7.26 C 18.53 -17.58 C 10.21 -10.80 C 11.41 -8.67 C 11.44 -11.40 C 10.21 -13.50 C 20.09 -5.26 C 17.88 -6.20 C 19.67 -16.65 C 18.53 -9.81 O 14.94 -9.35 O 16.47 -16.32 O 13.81 -8.67 O 13.81 -11.38 O 21.18 -7.83 O 22.64 -17.58 O 20.83 -13.06 Cl 24.33 -13.22 C 22.19 -10.08 C 20.83 -9.67 C 17.40 -14.83 C 12.63 -10.80 C 12.63 -13.48 O 16.18 -14.12 O 17.40 -9.35 O 18.65 -15.13 O 18.94 -8.78 O 15.03 -10.80 O 15.03 -13.48 O 23.01 -15.13 C 16.18 -8.67 C 17.88 -16.32 C 23.01 -11.29 C 13.81 -10.08 C 13.81 -12.79 C 19.79 -7.67 C 22.19 -16.24 C 11.41 -10.08 C 11.41 -12.80 C 19.27 -6.37 C 20.83 -15.83 C 23.01 -12.79 C 19.49 -10.08 C 16.25 -11.38 C 22.19 -13.93 C 17.40 -10.80 C 16.25 -12.79 C 19.36 -13.93 C 18.53 -12.79 C 18.53 -11.38 C 20.83 -14.44 C 17.40 -13.42 51 1 -2 2 35 2 3 33 1 4 34 1 5 40 1 6 40 1 7 41 1 8 41 1 9 42 1 10 42 1 43 11 -2 52 12 -1 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 18 39 2 53 19 -2 44 20 -2 21 22 1 21 35 1 22 45 1 23 26 1 54 23 -1 24 36 1 24 40 1 25 37 1 25 41 1 54 26 -2 27 33 1 48 27 -2 28 34 1 50 28 -1 29 38 1 45 29 -1 30 36 1 46 30 -2 31 37 1 49 31 -2 32 39 1 47 32 -2 35 44 1 38 42 1 39 43 1 43 53 1 44 47 1 45 52 1 46 48 1 46 49 1 47 53 1 48 52 1 49 54 1 50 51 1 50 53 1 51 52 1 51 54 1', '54 57 H 19.27 -12.27 C:121 24.33 -10.80 C:21 16.18 -7.26 C:21 18.53 -17.58 C:22 10.21 -10.80 C:22 11.41 -8.67 C:22 11.44 -11.40 C:22 10.21 -13.50 C:19 20.09 -5.26 C:18 17.88 -6.20 C:6 19.67 -16.65 C:14 18.53 -9.81 O 14.94 -9.35 O 16.47 -16.32 O 13.81 -8.67 O 13.81 -11.38 O 21.18 -7.83 O 22.64 -17.58 O 20.83 -13.06 Cl 24.33 -13.22 C:34 22.19 -10.08 C:28 20.83 -9.67 C:51 17.40 -14.83 C:43 12.63 -10.80 C:44 12.63 -13.48 O 16.18 -14.12 O 17.40 -9.35 O 18.65 -15.13 O 18.94 -8.78 O 15.03 -10.80 O 15.03 -13.48 O 23.01 -15.13 C:169 16.18 -8.67 C:170 17.88 -16.32 C:147 23.01 -11.29 C:172 13.81 -10.08 C:172 13.81 -12.79 C:177 19.79 -7.67 C:174 22.19 -16.24 C:25 11.41 -10.08 C:26 11.41 -12.80 C:34 19.27 -6.37 C:51 20.83 -15.83 C:54 23.01 -12.79 C:72 19.49 -10.08 C:67 16.25 -11.38 C:81 22.19 -13.93 C:73 17.40 -10.80 C:73 16.25 -12.79 C:72 19.36 -13.93 C:36 18.53 -12.79 C:47 18.53 -11.38 C:81 20.83 -14.44 C:57 17.40 -13.42 51 1 -2 2 35 2 3 33 1 4 34 1 5 40 1 6 40 1 7 41 1 8 41 1 9 42 1 10 42 1 43 11 -2 52 12 -1 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 18 39 2 53 19 -2 44 20 -2 21 22 1 21 35 1 22 45 1 23 26 1 54 23 -1 24 36 1 24 40 1 25 37 1 25 41 1 54 26 -2 27 33 1 48 27 -2 28 34 1 50 28 -1 29 38 1 45 29 -1 30 36 1 46 30 -2 31 37 1 49 31 -2 32 39 1 47 32 -2 35 44 1 38 42 1 39 43 1 43 53 1 44 47 1 45 52 1 46 48 1 46 49 1 47 53 1 48 52 1 49 54 1 50 51 1 50 53 1 51 52 1 51 54 1', 'C38H55ClO14', 770.859, 'C', 'tt08_4224_3', 4030, '', 'Junceella juncea', '1', 45, NULL, NULL),
(16064, 'Fragilide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH:4]=[CH:3][C@H:2](O[C:2001](=O)[CH2:2002]O[C:2003](=O)[CH2:2004][CH:2005]([CH3:2007])[CH3:2006])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@:11]34[CH2:20]O4', '[H][C@@]23[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)C=C[C@H](OC(=O)COC(=O)CC(C)C)[C@@]2(C)[C@@H](OC(C)=O)CC[C@]34CO4', '[H][C@@:38]23[C@H:71](O[C:170]([CH3:21])=O)[C@:81]1(O)[C@@H:47]([CH3:8])[C:175](=O)O[C@H:79]1[C@@H:62](Cl)[C:137](=[CH2:117])[CH:129]=[CH:130][C@H:73](O[C:167](=O)[CH2:61]O[C:172](=O)[CH2:43][CH:26]([CH3:22])[CH3:22])[C@@:48]2([CH3:15])[C@@H:74](O[C:170]([CH3:21])=O)[CH2:25][CH2:30][C@:59]34[CH2:51]O4', '45 48 H 16.85 -14.12 C:16 21.93 -12.65 C:14002 13.77 -9.12 C:9002 16.12 -19.44 C:2007 19.15 -3.37 C:2006 21.55 -3.37 C:18 17.25 -18.52 C:15 16.12 -11.70 O 12.53 -11.24 O 14.06 -18.20 O 19.25 -10.35 O 17.88 -5.54 O 20.21 -19.44 O 18.40 -14.93 Cl 21.93 -15.06 C:4 19.76 -11.99 C:3 18.40 -11.58 C:13 13.84 -13.28 C:2002 17.98 -8.34 C:12 13.84 -14.62 C:20 14.99 -16.71 C:2004 20.31 -5.47 O 19.15 -7.61 O 13.77 -16.00 O 14.99 -11.24 O 16.23 -17.01 O 16.85 -10.62 O 20.59 -17.01 C:14001 13.77 -10.53 C:9001 15.47 -18.20 C:5 20.59 -13.15 C:2001 17.98 -9.75 C:2003 19.15 -6.20 C:19 19.76 -18.12 C:2005 20.31 -4.07 C:17 18.40 -17.72 C:6 20.59 -14.62 C:2 17.07 -11.99 C:14 14.99 -12.60 C:7 19.76 -15.81 C:9 16.94 -15.81 C:10 16.12 -14.62 C:1 16.12 -13.28 C:11 14.99 -15.30 C:8 18.40 -16.32 42 1 -2 2 31 2 3 29 1 4 30 1 5 35 1 6 35 1 36 7 -2 43 8 -1 9 29 2 10 30 2 11 32 2 12 33 2 13 34 2 45 14 -2 37 15 -2 16 17 2 16 31 1 17 38 1 18 20 1 18 39 1 19 23 1 19 32 1 20 44 1 21 24 1 44 21 -1 22 33 1 22 35 1 23 33 1 44 24 -2 25 29 1 39 25 -2 26 30 1 41 26 -1 27 32 1 38 27 -1 28 34 1 40 28 -2 31 37 1 34 36 1 36 45 1 37 40 1 38 43 1 39 43 1 40 45 1 41 42 1 41 45 1 42 43 1 42 44 1', '45 48 H 16.85 -14.12 C 21.93 -12.65 C 13.77 -9.12 C 16.12 -19.44 C 19.15 -3.37 C 21.55 -3.37 C 17.25 -18.52 C 16.12 -11.70 O 12.53 -11.24 O 14.06 -18.20 O 19.25 -10.35 O 17.88 -5.54 O 20.21 -19.44 O 18.40 -14.93 Cl 21.93 -15.06 C 19.76 -11.99 C 18.40 -11.58 C 13.84 -13.28 C 17.98 -8.34 C 13.84 -14.62 C 14.99 -16.71 C 20.31 -5.47 O 19.15 -7.61 O 13.77 -16.00 O 14.99 -11.24 O 16.23 -17.01 O 16.85 -10.62 O 20.59 -17.01 C 13.77 -10.53 C 15.47 -18.20 C 20.59 -13.15 C 17.98 -9.75 C 19.15 -6.20 C 19.76 -18.12 C 20.31 -4.07 C 18.40 -17.72 C 20.59 -14.62 C 17.07 -11.99 C 14.99 -12.60 C 19.76 -15.81 C 16.94 -15.81 C 16.12 -14.62 C 16.12 -13.28 C 14.99 -15.30 C 18.40 -16.32 42 1 -2 2 31 2 3 29 1 4 30 1 5 35 1 6 35 1 36 7 -2 43 8 -1 9 29 2 10 30 2 11 32 2 12 33 2 13 34 2 45 14 -2 37 15 -2 16 17 2 16 31 1 17 38 1 18 20 1 18 39 1 19 23 1 19 32 1 20 44 1 21 24 1 44 21 -1 22 33 1 22 35 1 23 33 1 44 24 -2 25 29 1 39 25 -2 26 30 1 41 26 -1 27 32 1 38 27 -1 28 34 1 40 28 -2 31 37 1 34 36 1 36 45 1 37 40 1 38 43 1 39 43 1 40 45 1 41 42 1 41 45 1 42 43 1 42 44 1', '45 48 H 16.85 -14.12 C:117 21.93 -12.65 C:21 13.77 -9.12 C:21 16.12 -19.44 C:22 19.15 -3.37 C:22 21.55 -3.37 C:8 17.25 -18.52 C:15 16.12 -11.70 O 12.53 -11.24 O 14.06 -18.20 O 19.25 -10.35 O 17.88 -5.54 O 20.21 -19.44 O 18.40 -14.93 Cl 21.93 -15.06 C:129 19.76 -11.99 C:130 18.40 -11.58 C:25 13.84 -13.28 C:61 17.98 -8.34 C:30 13.84 -14.62 C:51 14.99 -16.71 C:43 20.31 -5.47 O 19.15 -7.61 O 13.77 -16.00 O 14.99 -11.24 O 16.23 -17.01 O 16.85 -10.62 O 20.59 -17.01 C:170 13.77 -10.53 C:170 15.47 -18.20 C:137 20.59 -13.15 C:167 17.98 -9.75 C:172 19.15 -6.20 C:175 19.76 -18.12 C:26 20.31 -4.07 C:47 18.40 -17.72 C:62 20.59 -14.62 C:73 17.07 -11.99 C:74 14.99 -12.60 C:79 19.76 -15.81 C:71 16.94 -15.81 C:38 16.12 -14.62 C:48 16.12 -13.28 C:59 14.99 -15.30 C:81 18.40 -16.32 42 1 -2 2 31 2 3 29 1 4 30 1 5 35 1 6 35 1 36 7 -2 43 8 -1 9 29 2 10 30 2 11 32 2 12 33 2 13 34 2 45 14 -2 37 15 -2 16 17 2 16 31 1 17 38 1 18 20 1 18 39 1 19 23 1 19 32 1 20 44 1 21 24 1 44 21 -1 22 33 1 22 35 1 23 33 1 44 24 -2 25 29 1 39 25 -2 26 30 1 41 26 -1 27 32 1 38 27 -1 28 34 1 40 28 -2 31 37 1 34 36 1 36 45 1 37 40 1 38 43 1 39 43 1 40 45 1 41 42 1 41 45 1 42 43 1 42 44 1', 'C31H41ClO12', 640.785, 'C', 'tt08_4224_4', 4030, '', 'Revisar el ultimo RMN 22.4', '1', 45, NULL, NULL),
(16065, 'Erythrolide K', '', 'Terpenoids', 'Diterpenoids', 'Aquarianes', '[CH2:16]=[C:5]2[C@H:6](Cl)[C@@H:7]1O[C:18](=O)[C@H:17]([CH3:19])[C@@:8]1(O)[CH:9]=[C:10]3[C:14]([CH3:15])=[C:13]([CH:1]=[CH:2][CH2:3][C@@H:4]2O[C:4001]([CH3:4002])=O)[C:12](=O)[C@@:11]3([CH3:20])O[C:11001]([CH3:11002])=O', 'C=C2[C@H](Cl)[C@@H]1OC(=O)[C@H](C)[C@@]1(O)C=C3C(C)=C(C=CC[C@@H]2OC(C)=O)C(=O)[C@@]3(C)OC(C)=O', '[CH2:120]=[C:143]2[C@H:58](Cl)[C@@H:81]1O[C:8](=O)[C@H:49]([CH3:175])[C@@:79]1(O)[CH:122]=[C:144]3[C:160]([CH3:21])=[C:144]([CH:123]=[CH:135][CH2:35][C@@H:71]2O[C:170]([CH3:21])=O)[C:195](=O)[C@@:83]3([CH3:24])O[C:168]([CH3:21])=O', '33 35 C:16 20.56 -9.19 C:4002 19.50 -5.98 C:11002 13.88 -16.90 C:15 16.71 -10.30 C:19 18.72 -16.06 C:20 15.48 -14.82 O 20.69 -8.11 O 16.14 -16.06 O 21.70 -15.82 O 12.77 -12.63 O 18.58 -12.30 Cl 21.60 -11.14 C:2 15.92 -8.85 C:1 14.64 -9.43 C:9 17.47 -13.64 C:3 16.86 -9.61 O 18.19 -8.03 O 21.14 -13.42 O 14.28 -14.51 C:4001 19.50 -7.37 C:11001 14.77 -15.82 C:14 16.14 -11.33 C:5 19.50 -10.11 C:18 20.80 -14.82 C:12 14.13 -12.41 C:13 14.77 -11.14 C:10 16.46 -12.73 C:17 19.43 -14.91 C:6 20.21 -11.33 C:4 18.19 -9.43 C:7 19.98 -12.73 C:11 15.16 -13.42 C:8 18.89 -13.64 1 23 2 2 20 1 3 21 1 4 22 1 28 5 -2 32 6 -1 7 20 2 8 21 2 9 24 2 10 25 2 33 11 -2 29 12 -2 13 14 2 13 16 1 14 26 1 15 27 2 15 33 1 16 30 1 17 20 1 30 17 -2 18 24 1 31 18 -2 19 21 1 32 19 -2 22 26 2 22 27 1 23 29 1 23 30 1 24 28 1 25 26 1 25 32 1 27 32 1 28 33 1 29 31 1 31 33 1', '33 35 C 20.56 -9.19 C 19.50 -5.98 C 13.88 -16.90 C 16.71 -10.30 C 18.72 -16.06 C 15.48 -14.82 O 20.69 -8.11 O 16.14 -16.06 O 21.70 -15.82 O 12.77 -12.63 O 18.58 -12.30 Cl 21.60 -11.14 C 15.92 -8.85 C 14.64 -9.43 C 17.47 -13.64 C 16.86 -9.61 O 18.19 -8.03 O 21.14 -13.42 O 14.28 -14.51 C 19.50 -7.37 C 14.77 -15.82 C 16.14 -11.33 C 19.50 -10.11 C 20.80 -14.82 C 14.13 -12.41 C 14.77 -11.14 C 16.46 -12.73 C 19.43 -14.91 C 20.21 -11.33 C 18.19 -9.43 C 19.98 -12.73 C 15.16 -13.42 C 18.89 -13.64 1 23 2 2 20 1 3 21 1 4 22 1 28 5 -2 32 6 -1 7 20 2 8 21 2 9 24 2 10 25 2 33 11 -2 29 12 -2 13 14 2 13 16 1 14 26 1 15 27 2 15 33 1 16 30 1 17 20 1 30 17 -2 18 24 1 31 18 -2 19 21 1 32 19 -2 22 26 2 22 27 1 23 29 1 23 30 1 24 28 1 25 26 1 25 32 1 27 32 1 28 33 1 29 31 1 31 33 1', '33 35 C:120 20.56 -9.19 C:21 19.50 -5.98 C:21 13.88 -16.90 C:21 16.71 -10.30 C:175 18.72 -16.06 C:24 15.48 -14.82 O 20.69 -8.11 O 16.14 -16.06 O 21.70 -15.82 O 12.77 -12.63 O 18.58 -12.30 Cl 21.60 -11.14 C:135 15.92 -8.85 C:123 14.64 -9.43 C:122 17.47 -13.64 C:35 16.86 -9.61 O 18.19 -8.03 O 21.14 -13.42 O 14.28 -14.51 C:170 19.50 -7.37 C:168 14.77 -15.82 C:160 16.14 -11.33 C:143 19.50 -10.11 C:8 20.80 -14.82 C:195 14.13 -12.41 C:144 14.77 -11.14 C:144 16.46 -12.73 C:49 19.43 -14.91 C:58 20.21 -11.33 C:71 18.19 -9.43 C:81 19.98 -12.73 C:83 15.16 -13.42 C:79 18.89 -13.64 1 23 2 2 20 1 3 21 1 4 22 1 28 5 -2 32 6 -1 7 20 2 8 21 2 9 24 2 10 25 2 33 11 -2 29 12 -2 13 14 2 13 16 1 14 26 1 15 27 2 15 33 1 16 30 1 17 20 1 30 17 -2 18 24 1 31 18 -2 19 21 1 32 19 -2 22 26 2 22 27 1 23 29 1 23 30 1 24 28 1 25 26 1 25 32 1 27 32 1 28 33 1 29 31 1 31 33 1', 'C24H27ClO8', 478.705, 'C', 'ttl98_1469_4', 4031, '', 'Erythropodium caribaeorum', '1', 45, NULL, NULL),
(16066, 'Briaexcavatin A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]15[C@@H:11]([CH3:20])O[C:12](=O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C@@:5]2([CH3:16])O[C@H:6]2[C@@H:7]3O[C:19](=O)[C@@:17]4([CH3:18])O[C@:8]34[C@H:9]5O[C:9001]([CH3:9002])=O', '[H][C@]15[C@@H](C)OC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]2(C)O[C@H]2[C@@H]3OC(=O)[C@@]4(C)O[C@]34[C@H]5OC(C)=O', '[H][C@:48]15[C@@H:72]([CH3:21])O[C:168](=O)[CH2:37][C@H:72](O[C:168]([CH3:21])=O)[C@:46]1([CH3:19])[C@@H:69](O[C:171]([CH3:21])=O)[C@@H:71](O[C:169]([CH3:21])=O)[CH2:34][C@@:62]2([CH3:22])O[C@H:63]2[C@@H:78]3O[C:170](=O)[C@@:64]4([CH3:11])O[C@:72]34[C@H:68]5O[C:169]([CH3:21])=O', '43 47 H 17.31 -11.70 C:3002 21.12 -6.27 C:14002 14.55 -6.43 C:2002 19.31 -6.98 C:9002 14.63 -15.09 C:20 15.52 -14.44 C:16 22.36 -10.18 C:18 17.76 -16.07 C:15 16.62 -9.29 O 21.60 -8.60 O 13.27 -8.42 O 17.19 -5.81 O 15.86 -17.09 O 12.17 -11.53 O 20.67 -16.95 C:13 14.17 -10.28 C:4 20.22 -9.57 O 19.31 -7.82 O 14.17 -12.77 O 15.69 -8.60 O 17.31 -8.21 O 17.03 -14.90 O 21.05 -14.56 O 22.25 -11.46 O 20.06 -14.56 C:3001 20.67 -7.58 C:14001 14.55 -7.82 C:2001 17.95 -6.98 C:9001 15.86 -15.69 C:12 13.56 -11.53 C:19 20.22 -15.65 C:11 15.52 -13.08 C:3 18.87 -9.17 C:14 15.52 -9.97 C:2 17.53 -9.57 C:6 21.05 -12.19 C:7 20.22 -13.36 C:9 17.40 -13.36 C:5 21.05 -10.73 C:17 18.87 -15.25 C:10 16.62 -12.19 C:1 16.62 -10.87 C:8 18.87 -13.86 41 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 32 6 -1 39 7 -2 40 8 -1 42 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 30 2 15 31 2 16 30 1 16 34 1 17 33 1 17 39 1 18 26 1 33 18 -1 19 30 1 19 32 1 20 27 1 34 20 -2 21 28 1 35 21 -1 22 29 1 38 22 -1 23 31 1 37 23 -2 36 24 -1 24 39 1 25 40 1 43 25 -2 31 40 1 32 41 1 33 35 1 34 42 1 35 42 1 36 37 1 36 39 1 37 43 1 38 41 1 38 43 1 40 43 1 41 42 1', '43 47 H 17.31 -11.70 C 21.12 -6.27 C 14.55 -6.43 C 19.31 -6.98 C 14.63 -15.09 C 15.52 -14.44 C 22.36 -10.18 C 17.76 -16.07 C 16.62 -9.29 O 21.60 -8.60 O 13.27 -8.42 O 17.19 -5.81 O 15.86 -17.09 O 12.17 -11.53 O 20.67 -16.95 C 14.17 -10.28 C 20.22 -9.57 O 19.31 -7.82 O 14.17 -12.77 O 15.69 -8.60 O 17.31 -8.21 O 17.03 -14.90 O 21.05 -14.56 O 22.25 -11.46 O 20.06 -14.56 C 20.67 -7.58 C 14.55 -7.82 C 17.95 -6.98 C 15.86 -15.69 C 13.56 -11.53 C 20.22 -15.65 C 15.52 -13.08 C 18.87 -9.17 C 15.52 -9.97 C 17.53 -9.57 C 21.05 -12.19 C 20.22 -13.36 C 17.40 -13.36 C 21.05 -10.73 C 18.87 -15.25 C 16.62 -12.19 C 16.62 -10.87 C 18.87 -13.86 41 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 32 6 -1 39 7 -2 40 8 -1 42 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 30 2 15 31 2 16 30 1 16 34 1 17 33 1 17 39 1 18 26 1 33 18 -1 19 30 1 19 32 1 20 27 1 34 20 -2 21 28 1 35 21 -1 22 29 1 38 22 -1 23 31 1 37 23 -2 36 24 -1 24 39 1 25 40 1 43 25 -2 31 40 1 32 41 1 33 35 1 34 42 1 35 42 1 36 37 1 36 39 1 37 43 1 38 41 1 38 43 1 40 43 1 41 42 1', '43 47 H 17.31 -11.70 C:21 21.12 -6.27 C:21 14.55 -6.43 C:21 19.31 -6.98 C:21 14.63 -15.09 C:21 15.52 -14.44 C:22 22.36 -10.18 C:11 17.76 -16.07 C:19 16.62 -9.29 O 21.60 -8.60 O 13.27 -8.42 O 17.19 -5.81 O 15.86 -17.09 O 12.17 -11.53 O 20.67 -16.95 C:37 14.17 -10.28 C:34 20.22 -9.57 O 19.31 -7.82 O 14.17 -12.77 O 15.69 -8.60 O 17.31 -8.21 O 17.03 -14.90 O 21.05 -14.56 O 22.25 -11.46 O 20.06 -14.56 C:169 20.67 -7.58 C:168 14.55 -7.82 C:171 17.95 -6.98 C:169 15.86 -15.69 C:168 13.56 -11.53 C:170 20.22 -15.65 C:72 15.52 -13.08 C:71 18.87 -9.17 C:72 15.52 -9.97 C:69 17.53 -9.57 C:63 21.05 -12.19 C:78 20.22 -13.36 C:68 17.40 -13.36 C:62 21.05 -10.73 C:64 18.87 -15.25 C:48 16.62 -12.19 C:46 16.62 -10.87 C:72 18.87 -13.86 41 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 32 6 -1 39 7 -2 40 8 -1 42 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 30 2 15 31 2 16 30 1 16 34 1 17 33 1 17 39 1 18 26 1 33 18 -1 19 30 1 19 32 1 20 27 1 34 20 -2 21 28 1 35 21 -1 22 29 1 38 22 -1 23 31 1 37 23 -2 36 24 -1 24 39 1 25 40 1 43 25 -2 31 40 1 32 41 1 33 35 1 34 42 1 35 42 1 36 37 1 36 39 1 37 43 1 38 41 1 38 43 1 40 43 1 41 42 1', 'C28H36O14', 596.299, 'C', 'ttl06_167_1', 4032, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16067, 'Briaexcavatin B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]15[C@@H:11]([CH3:20])[C:12](=O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C@@:5]2([CH3:16])O[C@H:6]2[C@@H:7]3O[C:19](=O)[C@@:17]4([CH3:18])O[C@:8]34[C@H:9]5O[C:9001]([CH3:9002])=O', '[H][C@]15[C@@H](C)C(=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]2(C)O[C@H]2[C@@H]3OC(=O)[C@@]4(C)O[C@]34[C@H]5OC(C)=O', '[H][C@:44]15[C@@H:44]([CH3:14])[C:206](=O)[CH2:41][C@H:77](O[C:169]([CH3:21])=O)[C@:43]1([CH3:18])[C@@H:75](O[C:170]([CH3:22])=O)[C@@H:72](O[C:170]([CH3:21])=O)[CH2:34][C@@:61]2([CH3:22])O[C@H:63]2[C@@H:78]3O[C:170](=O)[C@@:61]4([CH3:11])O[C@:70]34[C@H:67]5O[C:170]([CH3:21])=O', '42 46 H 15.73 -10.97 C:3002 18.45 -4.91 C:14002 12.66 -6.00 C:2002 14.20 -5.60 C:9002 15.00 -16.28 C:20 13.87 -13.56 C:16 20.83 -9.45 C:18 16.13 -15.36 C:15 15.00 -8.55 O 19.68 -6.97 O 11.42 -8.09 O 16.60 -5.22 O 12.95 -15.04 O 11.51 -12.19 O 19.10 -16.28 C:13 12.73 -10.13 C:4 18.65 -8.84 O 17.29 -7.04 O 13.87 -8.09 O 15.73 -7.48 O 15.11 -13.86 O 19.47 -13.86 O 20.73 -10.74 O 18.51 -13.86 C:3001 18.45 -6.31 C:14001 12.66 -7.39 C:2001 15.51 -6.10 C:9001 14.35 -15.04 C:12 12.73 -11.47 C:19 18.65 -14.96 C:11 13.87 -12.19 C:3 17.29 -8.43 C:14 13.87 -9.45 C:2 15.95 -8.84 C:6 19.47 -11.47 C:7 18.65 -12.66 C:9 15.82 -12.66 C:5 19.47 -10.00 C:17 17.29 -14.56 C:10 15.00 -11.47 C:1 15.00 -10.13 C:8 17.29 -13.17 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 31 6 -1 38 7 -2 39 8 -1 41 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 29 2 15 30 2 16 29 1 16 33 1 17 32 1 17 38 1 18 25 1 32 18 -1 19 26 1 33 19 -2 20 27 1 34 20 -1 21 28 1 37 21 -1 22 30 1 36 22 -2 35 23 -1 23 38 1 24 39 1 42 24 -2 29 31 1 30 39 1 31 40 1 32 34 1 33 41 1 34 41 1 35 36 1 35 38 1 36 42 1 37 40 1 37 42 1 39 42 1 40 41 1', '42 46 H 15.73 -10.97 C 18.45 -4.91 C 12.66 -6.00 C 14.20 -5.60 C 15.00 -16.28 C 13.87 -13.56 C 20.83 -9.45 C 16.13 -15.36 C 15.00 -8.55 O 19.68 -6.97 O 11.42 -8.09 O 16.60 -5.22 O 12.95 -15.04 O 11.51 -12.19 O 19.10 -16.28 C 12.73 -10.13 C 18.65 -8.84 O 17.29 -7.04 O 13.87 -8.09 O 15.73 -7.48 O 15.11 -13.86 O 19.47 -13.86 O 20.73 -10.74 O 18.51 -13.86 C 18.45 -6.31 C 12.66 -7.39 C 15.51 -6.10 C 14.35 -15.04 C 12.73 -11.47 C 18.65 -14.96 C 13.87 -12.19 C 17.29 -8.43 C 13.87 -9.45 C 15.95 -8.84 C 19.47 -11.47 C 18.65 -12.66 C 15.82 -12.66 C 19.47 -10.00 C 17.29 -14.56 C 15.00 -11.47 C 15.00 -10.13 C 17.29 -13.17 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 31 6 -1 38 7 -2 39 8 -1 41 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 29 2 15 30 2 16 29 1 16 33 1 17 32 1 17 38 1 18 25 1 32 18 -1 19 26 1 33 19 -2 20 27 1 34 20 -1 21 28 1 37 21 -1 22 30 1 36 22 -2 35 23 -1 23 38 1 24 39 1 42 24 -2 29 31 1 30 39 1 31 40 1 32 34 1 33 41 1 34 41 1 35 36 1 35 38 1 36 42 1 37 40 1 37 42 1 39 42 1 40 41 1', '42 46 H 15.73 -10.97 C:21 18.45 -4.91 C:21 12.66 -6.00 C:22 14.20 -5.60 C:21 15.00 -16.28 C:14 13.87 -13.56 C:22 20.83 -9.45 C:11 16.13 -15.36 C:18 15.00 -8.55 O 19.68 -6.97 O 11.42 -8.09 O 16.60 -5.22 O 12.95 -15.04 O 11.51 -12.19 O 19.10 -16.28 C:41 12.73 -10.13 C:34 18.65 -8.84 O 17.29 -7.04 O 13.87 -8.09 O 15.73 -7.48 O 15.11 -13.86 O 19.47 -13.86 O 20.73 -10.74 O 18.51 -13.86 C:170 18.45 -6.31 C:169 12.66 -7.39 C:170 15.51 -6.10 C:170 14.35 -15.04 C:206 12.73 -11.47 C:170 18.65 -14.96 C:44 13.87 -12.19 C:72 17.29 -8.43 C:77 13.87 -9.45 C:75 15.95 -8.84 C:63 19.47 -11.47 C:78 18.65 -12.66 C:67 15.82 -12.66 C:61 19.47 -10.00 C:61 17.29 -14.56 C:44 15.00 -11.47 C:43 15.00 -10.13 C:70 17.29 -13.17 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 31 6 -1 38 7 -2 39 8 -1 41 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 29 2 15 30 2 16 29 1 16 33 1 17 32 1 17 38 1 18 25 1 32 18 -1 19 26 1 33 19 -2 20 27 1 34 20 -1 21 28 1 37 21 -1 22 30 1 36 22 -2 35 23 -1 23 38 1 24 39 1 42 24 -2 29 31 1 30 39 1 31 40 1 32 34 1 33 41 1 34 41 1 35 36 1 35 38 1 36 42 1 37 40 1 37 42 1 39 42 1 40 41 1', 'C28H36O13', 580.3, 'C', 'ttl06_167_2', 4032, '', 'Briareum excavatum', '1', 45, NULL, NULL),
(16068, 'Pachyclavulide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C@@H:11]([CH3:20])[C@@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13[C@@H](C)[C@@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:38]13[C@@H:44]([CH3:99])[C@@H:67](O)[CH2:29][C@H:77](O[C:171]([CH3:21])=O)[C@:45]1([CH3:15])[C@@H:76](O[C:171]([CH3:21])=O)[CH2:31][CH2:29][C:147]([CH3:28])=[CH:118][C@@H:79]2O[C:177](=O)[C@H:44]([CH3:7])[C@@:82]2(O)[C@H:75]3O[C:169]([CH3:22])=O', '37 39 H 16.82 -11.67 C:2002 16.52 -5.87 C:14002 13.77 -6.57 C:9002 13.59 -15.00 C:16 21.92 -10.14 C:18 17.22 -16.06 C:20 14.94 -14.26 C:15 16.11 -9.24 O 18.56 -7.11 O 12.54 -8.63 O 15.30 -16.70 O 20.20 -16.99 O 12.62 -12.89 O 18.38 -12.47 C:6 20.57 -12.17 C:4 19.75 -9.53 C:3 18.38 -9.12 C:13 13.82 -10.83 O 16.40 -8.29 O 14.94 -8.74 O 15.93 -14.36 O 20.57 -14.55 C:2001 17.16 -7.11 C:14001 13.77 -7.97 C:9001 14.94 -15.35 C:5 20.57 -10.70 C:19 19.75 -15.66 C:17 18.38 -15.26 C:11 14.94 -12.84 C:12 13.82 -12.17 C:7 19.75 -13.41 C:2 17.04 -9.53 C:14 14.94 -10.14 C:9 16.91 -13.36 C:10 16.11 -12.17 C:1 16.11 -10.83 C:8 18.38 -13.87 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -2 29 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 30 13 -1 37 14 -2 15 26 2 15 31 1 16 17 1 16 26 1 17 32 1 18 30 1 18 33 1 19 23 1 32 19 -1 20 24 1 33 20 -2 21 25 1 34 21 -1 22 27 1 31 22 -2 27 28 1 28 37 1 29 30 1 29 35 1 31 37 1 32 36 1 33 36 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.82 -11.67 C 16.52 -5.87 C 13.77 -6.57 C 13.59 -15.00 C 21.92 -10.14 C 17.22 -16.06 C 14.94 -14.26 C 16.11 -9.24 O 18.56 -7.11 O 12.54 -8.63 O 15.30 -16.70 O 20.20 -16.99 O 12.62 -12.89 O 18.38 -12.47 C 20.57 -12.17 C 19.75 -9.53 C 18.38 -9.12 C 13.82 -10.83 O 16.40 -8.29 O 14.94 -8.74 O 15.93 -14.36 O 20.57 -14.55 C 17.16 -7.11 C 13.77 -7.97 C 14.94 -15.35 C 20.57 -10.70 C 19.75 -15.66 C 18.38 -15.26 C 14.94 -12.84 C 13.82 -12.17 C 19.75 -13.41 C 17.04 -9.53 C 14.94 -10.14 C 16.91 -13.36 C 16.11 -12.17 C 16.11 -10.83 C 18.38 -13.87 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -2 29 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 30 13 -1 37 14 -2 15 26 2 15 31 1 16 17 1 16 26 1 17 32 1 18 30 1 18 33 1 19 23 1 32 19 -1 20 24 1 33 20 -2 21 25 1 34 21 -1 22 27 1 31 22 -2 27 28 1 28 37 1 29 30 1 29 35 1 31 37 1 32 36 1 33 36 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.82 -11.67 C:21 16.52 -5.87 C:21 13.77 -6.57 C:22 13.59 -15.00 C:28 21.92 -10.14 C:7 17.22 -16.06 C:9 14.94 -14.26 C:15 16.11 -9.24 O 18.56 -7.11 O 12.54 -8.63 O 15.30 -16.70 O 20.20 -16.99 O 12.62 -12.89 O 18.38 -12.47 C:118 20.57 -12.17 C:29 19.75 -9.53 C:31 18.38 -9.12 C:29 13.82 -10.83 O 16.40 -8.29 O 14.94 -8.74 O 15.93 -14.36 O 20.57 -14.55 C:171 17.16 -7.11 C:171 13.77 -7.97 C:169 14.94 -15.35 C:147 20.57 -10.70 C:177 19.75 -15.66 C:44 18.38 -15.26 C:44 14.94 -12.84 C:67 13.82 -12.17 C:79 19.75 -13.41 C:76 17.04 -9.53 C:77 14.94 -10.14 C:75 16.91 -13.36 C:38 16.11 -12.17 C:45 16.11 -10.83 C:82 18.38 -13.87 35 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 28 6 -2 29 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 30 13 -1 37 14 -2 15 26 2 15 31 1 16 17 1 16 26 1 17 32 1 18 30 1 18 33 1 19 23 1 32 19 -1 20 24 1 33 20 -2 21 25 1 34 21 -1 22 27 1 31 22 -2 27 28 1 28 37 1 29 30 1 29 35 1 31 37 1 32 36 1 33 36 1 34 35 1 34 37 1 35 36 1', 'C26H38O10', 510.28, 'C', 'np06_2_1', 4033, '', 'PachyclaWularia Wiolacea', '1', 45, NULL, NULL),
(16069, 'Pachyclavulide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5]([CH2:16]O)=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:40]13[C:134]([CH3:25])=[CH:121][CH2:27][C@H:73](O[C:170]([CH3:21])=O)[C@:44]1([CH3:15])[C@@H:76](O[C:171]([CH3:21])=O)[CH:132]=[CH:129][C:146]([CH2:64]O)=[CH:122][C@@H:80]2O[C:177](=O)[C@H:44]([CH3:8])[C@@:81]2(O)[C@H:70]3O[C:170]([CH3:22])=O', '37 39 H 16.26 -11.67 C:2002 15.96 -5.87 C:14002 13.21 -6.57 C:9002 13.03 -15.00 C:20 14.38 -14.26 C:18 16.66 -16.06 C:15 15.55 -9.24 O 18.00 -7.11 O 11.98 -8.63 O 14.74 -16.70 O 19.64 -16.99 O 22.47 -10.99 O 17.82 -12.47 C:4 19.19 -9.53 C:12 13.26 -12.17 C:3 17.82 -9.12 C:6 20.01 -12.17 C:16 21.36 -10.14 C:13 13.26 -10.83 O 15.84 -8.29 O 14.38 -8.74 O 15.37 -14.36 O 20.01 -14.55 C:2001 16.60 -7.11 C:14001 13.21 -7.97 C:9001 14.38 -15.35 C:11 14.38 -12.84 C:5 20.01 -10.70 C:19 19.19 -15.66 C:17 17.82 -15.26 C:2 16.48 -9.53 C:7 19.19 -13.41 C:14 14.38 -10.14 C:9 16.35 -13.36 C:10 15.55 -12.17 C:1 15.55 -10.83 C:8 17.82 -13.87 35 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 30 6 -2 36 7 -1 8 24 2 9 25 2 10 26 2 11 29 2 12 18 1 37 13 -2 14 16 2 14 28 1 15 19 1 15 27 2 16 31 1 17 28 2 17 32 1 18 28 1 19 33 1 20 24 1 31 20 -1 21 25 1 33 21 -2 22 26 1 34 22 -1 23 29 1 32 23 -2 27 35 1 29 30 1 30 37 1 31 36 1 32 37 1 33 36 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.26 -11.67 C 15.96 -5.87 C 13.21 -6.57 C 13.03 -15.00 C 14.38 -14.26 C 16.66 -16.06 C 15.55 -9.24 O 18.00 -7.11 O 11.98 -8.63 O 14.74 -16.70 O 19.64 -16.99 O 22.47 -10.99 O 17.82 -12.47 C 19.19 -9.53 C 13.26 -12.17 C 17.82 -9.12 C 20.01 -12.17 C 21.36 -10.14 C 13.26 -10.83 O 15.84 -8.29 O 14.38 -8.74 O 15.37 -14.36 O 20.01 -14.55 C 16.60 -7.11 C 13.21 -7.97 C 14.38 -15.35 C 14.38 -12.84 C 20.01 -10.70 C 19.19 -15.66 C 17.82 -15.26 C 16.48 -9.53 C 19.19 -13.41 C 14.38 -10.14 C 16.35 -13.36 C 15.55 -12.17 C 15.55 -10.83 C 17.82 -13.87 35 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 30 6 -2 36 7 -1 8 24 2 9 25 2 10 26 2 11 29 2 12 18 1 37 13 -2 14 16 2 14 28 1 15 19 1 15 27 2 16 31 1 17 28 2 17 32 1 18 28 1 19 33 1 20 24 1 31 20 -1 21 25 1 33 21 -2 22 26 1 34 22 -1 23 29 1 32 23 -2 27 35 1 29 30 1 30 37 1 31 36 1 32 37 1 33 36 1 34 35 1 34 37 1 35 36 1', '37 39 H 16.26 -11.67 C:21 15.96 -5.87 C:21 13.21 -6.57 C:22 13.03 -15.00 C:25 14.38 -14.26 C:8 16.66 -16.06 C:15 15.55 -9.24 O 18.00 -7.11 O 11.98 -8.63 O 14.74 -16.70 O 19.64 -16.99 O 22.47 -10.99 O 17.82 -12.47 C:129 19.19 -9.53 C:121 13.26 -12.17 C:132 17.82 -9.12 C:122 20.01 -12.17 C:64 21.36 -10.14 C:27 13.26 -10.83 O 15.84 -8.29 O 14.38 -8.74 O 15.37 -14.36 O 20.01 -14.55 C:171 16.60 -7.11 C:170 13.21 -7.97 C:170 14.38 -15.35 C:134 14.38 -12.84 C:146 20.01 -10.70 C:177 19.19 -15.66 C:44 17.82 -15.26 C:76 16.48 -9.53 C:80 19.19 -13.41 C:73 14.38 -10.14 C:70 16.35 -13.36 C:40 15.55 -12.17 C:44 15.55 -10.83 C:81 17.82 -13.87 35 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 30 6 -2 36 7 -1 8 24 2 9 25 2 10 26 2 11 29 2 12 18 1 37 13 -2 14 16 2 14 28 1 15 19 1 15 27 2 16 31 1 17 28 2 17 32 1 18 28 1 19 33 1 20 24 1 31 20 -1 21 25 1 33 21 -2 22 26 1 34 22 -1 23 29 1 32 23 -2 27 35 1 29 30 1 30 37 1 31 36 1 32 37 1 33 36 1 34 35 1 34 37 1 35 36 1', 'C26H34O10', 506.28, 'C', 'np06_2_2', 4033, '', 'PachyclaWularia Wiolacea', '1', 45, NULL, NULL),
(16070, 'Pachyclavulide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH:3]=[CH:4][C:5]([CH2:16]O[C:16001]([CH3:16002])=O)=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)C=CC(COC(C)=O)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:40]13[C:134]([CH3:25])=[CH:121][CH2:27][C@H:73](O[C:171]([CH3:21])=O)[C@:43]1([CH3:15])[C@@H:75](O[C:169]([CH3:21])=O)[CH:133]=[CH:127][C:142]([CH2:64]O[C:171]([CH3:21])=O)=[CH:121][C@@H:80]2O[C:176](=O)[C@H:44]([CH3:8])[C@@:81]2(O)[C@H:70]3O[C:170]([CH3:22])=O', '40 42 H 15.08 -11.67 C:16002 23.70 -11.31 C:2002 14.78 -5.87 C:14002 12.03 -6.57 C:9002 11.85 -15.00 C:20 13.20 -14.26 C:18 15.48 -16.06 C:15 14.37 -9.24 O 22.78 -9.06 O 16.82 -7.11 O 10.80 -8.63 O 13.56 -16.70 O 18.46 -16.99 O 16.64 -12.47 C:4 18.01 -9.53 C:12 12.08 -12.17 C:3 16.64 -9.12 C:6 18.83 -12.17 C:13 12.08 -10.83 C:16 20.18 -10.14 O 21.29 -10.99 O 14.66 -8.29 O 13.20 -8.74 O 14.19 -14.36 O 18.83 -14.55 C:16001 22.59 -10.45 C:2001 15.42 -7.11 C:14001 12.03 -7.97 C:9001 13.20 -15.35 C:11 13.20 -12.84 C:5 18.83 -10.70 C:19 18.01 -15.66 C:17 16.64 -15.26 C:2 15.30 -9.53 C:7 18.01 -13.41 C:14 13.20 -10.14 C:9 15.17 -13.36 C:10 14.37 -12.17 C:1 14.37 -10.83 C:8 16.64 -13.87 38 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 6 30 1 33 7 -2 39 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 32 2 40 14 -2 15 17 2 15 31 1 16 19 1 16 30 2 17 34 1 18 31 2 18 35 1 19 36 1 20 21 1 20 31 1 21 26 1 22 27 1 34 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -1 25 32 1 35 25 -2 30 38 1 32 33 1 33 40 1 34 39 1 35 40 1 36 39 1 37 38 1 37 40 1 38 39 1', '40 42 H 15.08 -11.67 C 23.70 -11.31 C 14.78 -5.87 C 12.03 -6.57 C 11.85 -15.00 C 13.20 -14.26 C 15.48 -16.06 C 14.37 -9.24 O 22.78 -9.06 O 16.82 -7.11 O 10.80 -8.63 O 13.56 -16.70 O 18.46 -16.99 O 16.64 -12.47 C 18.01 -9.53 C 12.08 -12.17 C 16.64 -9.12 C 18.83 -12.17 C 12.08 -10.83 C 20.18 -10.14 O 21.29 -10.99 O 14.66 -8.29 O 13.20 -8.74 O 14.19 -14.36 O 18.83 -14.55 C 22.59 -10.45 C 15.42 -7.11 C 12.03 -7.97 C 13.20 -15.35 C 13.20 -12.84 C 18.83 -10.70 C 18.01 -15.66 C 16.64 -15.26 C 15.30 -9.53 C 18.01 -13.41 C 13.20 -10.14 C 15.17 -13.36 C 14.37 -12.17 C 14.37 -10.83 C 16.64 -13.87 38 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 6 30 1 33 7 -2 39 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 32 2 40 14 -2 15 17 2 15 31 1 16 19 1 16 30 2 17 34 1 18 31 2 18 35 1 19 36 1 20 21 1 20 31 1 21 26 1 22 27 1 34 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -1 25 32 1 35 25 -2 30 38 1 32 33 1 33 40 1 34 39 1 35 40 1 36 39 1 37 38 1 37 40 1 38 39 1', '40 42 H 15.08 -11.67 C:21 23.70 -11.31 C:21 14.78 -5.87 C:21 12.03 -6.57 C:22 11.85 -15.00 C:25 13.20 -14.26 C:8 15.48 -16.06 C:15 14.37 -9.24 O 22.78 -9.06 O 16.82 -7.11 O 10.80 -8.63 O 13.56 -16.70 O 18.46 -16.99 O 16.64 -12.47 C:127 18.01 -9.53 C:121 12.08 -12.17 C:133 16.64 -9.12 C:121 18.83 -12.17 C:27 12.08 -10.83 C:64 20.18 -10.14 O 21.29 -10.99 O 14.66 -8.29 O 13.20 -8.74 O 14.19 -14.36 O 18.83 -14.55 C:171 22.59 -10.45 C:169 15.42 -7.11 C:171 12.03 -7.97 C:170 13.20 -15.35 C:134 13.20 -12.84 C:142 18.83 -10.70 C:176 18.01 -15.66 C:44 16.64 -15.26 C:75 15.30 -9.53 C:80 18.01 -13.41 C:73 13.20 -10.14 C:70 15.17 -13.36 C:40 14.37 -12.17 C:43 14.37 -10.83 C:81 16.64 -13.87 38 1 -2 2 26 1 3 27 1 4 28 1 5 29 1 6 30 1 33 7 -2 39 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 32 2 40 14 -2 15 17 2 15 31 1 16 19 1 16 30 2 17 34 1 18 31 2 18 35 1 19 36 1 20 21 1 20 31 1 21 26 1 22 27 1 34 22 -1 23 28 1 36 23 -2 24 29 1 37 24 -1 25 32 1 35 25 -2 30 38 1 32 33 1 33 40 1 34 39 1 35 40 1 36 39 1 37 38 1 37 40 1 38 39 1', 'C28H36O11', 548.301, 'C', 'np06_2_3', 4033, '', 'PachyclaWularia Wiolacea', '1', 45, NULL, NULL),
(16071, 'Pachyclavulide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[C@H:4]2O[C@H:3]2[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)[C@H]2O[C@H]2[C@H](OC(C)=O)[C@@]3(C)C=CC(=O)[C@@]4(C)O', '[H][C@@:43]34[C@H:69](O[C:169]([CH3:22])=O)[C@:82]1(O)[C@@H:46]([CH3:7])[C:174](=O)O[C@H:78]1[C@@H:60](Cl)[C:134](=[CH2:119])[C@H:58]2O[C@H:60]2[C@H:76](O[C:169]([CH3:21])=O)[C@@:43]3([CH3:15])[CH:155]=[CH:122][C:199](=O)[C@@:76]4([CH3:25])O', '36 39 H 16.82 -11.67 C:16 21.92 -10.14 C:2002 16.52 -5.87 C:9002 13.59 -15.00 C:18 17.22 -16.06 C:20 15.59 -14.08 C:15 16.11 -9.24 O 18.56 -7.11 O 15.30 -16.70 O 12.62 -12.89 O 20.20 -16.99 O 14.19 -14.02 O 18.38 -12.47 Cl 21.92 -12.55 C:13 13.82 -10.83 C:14 14.94 -10.14 O 16.40 -8.29 O 15.93 -14.36 O 20.57 -14.55 O 19.41 -8.16 C:2001 17.16 -7.11 C:9001 14.94 -15.35 C:5 20.57 -10.70 C:12 13.82 -12.17 C:19 19.75 -15.66 C:17 18.38 -15.26 C:6 20.57 -12.17 C:4 19.75 -9.53 C:3 18.38 -9.12 C:7 19.75 -13.41 C:2 17.04 -9.53 C:9 16.91 -13.36 C:11 14.94 -12.84 C:10 16.11 -12.17 C:1 16.11 -10.83 C:8 18.38 -13.87 34 1 -2 2 23 2 3 21 1 4 22 1 26 5 -2 33 6 -1 35 7 -1 8 21 2 9 22 2 10 24 2 11 25 2 33 12 -2 36 13 -2 27 14 -2 15 16 2 15 24 1 16 35 1 17 21 1 31 17 -1 18 22 1 32 18 -1 19 25 1 30 19 -2 28 20 -2 29 20 -2 23 27 1 23 28 1 24 33 1 25 26 1 26 36 1 27 30 1 28 29 1 29 31 1 30 36 1 31 35 1 32 34 1 32 36 1 33 34 1 34 35 1', '36 39 H 16.82 -11.67 C 21.92 -10.14 C 16.52 -5.87 C 13.59 -15.00 C 17.22 -16.06 C 15.59 -14.08 C 16.11 -9.24 O 18.56 -7.11 O 15.30 -16.70 O 12.62 -12.89 O 20.20 -16.99 O 14.19 -14.02 O 18.38 -12.47 Cl 21.92 -12.55 C 13.82 -10.83 C 14.94 -10.14 O 16.40 -8.29 O 15.93 -14.36 O 20.57 -14.55 O 19.41 -8.16 C 17.16 -7.11 C 14.94 -15.35 C 20.57 -10.70 C 13.82 -12.17 C 19.75 -15.66 C 18.38 -15.26 C 20.57 -12.17 C 19.75 -9.53 C 18.38 -9.12 C 19.75 -13.41 C 17.04 -9.53 C 16.91 -13.36 C 14.94 -12.84 C 16.11 -12.17 C 16.11 -10.83 C 18.38 -13.87 34 1 -2 2 23 2 3 21 1 4 22 1 26 5 -2 33 6 -1 35 7 -1 8 21 2 9 22 2 10 24 2 11 25 2 33 12 -2 36 13 -2 27 14 -2 15 16 2 15 24 1 16 35 1 17 21 1 31 17 -1 18 22 1 32 18 -1 19 25 1 30 19 -2 28 20 -2 29 20 -2 23 27 1 23 28 1 24 33 1 25 26 1 26 36 1 27 30 1 28 29 1 29 31 1 30 36 1 31 35 1 32 34 1 32 36 1 33 34 1 34 35 1', '36 39 H 16.82 -11.67 C:119 21.92 -10.14 C:21 16.52 -5.87 C:22 13.59 -15.00 C:7 17.22 -16.06 C:25 15.59 -14.08 C:15 16.11 -9.24 O 18.56 -7.11 O 15.30 -16.70 O 12.62 -12.89 O 20.20 -16.99 O 14.19 -14.02 O 18.38 -12.47 Cl 21.92 -12.55 C:122 13.82 -10.83 C:155 14.94 -10.14 O 16.40 -8.29 O 15.93 -14.36 O 20.57 -14.55 O 19.41 -8.16 C:169 17.16 -7.11 C:169 14.94 -15.35 C:134 20.57 -10.70 C:199 13.82 -12.17 C:174 19.75 -15.66 C:46 18.38 -15.26 C:60 20.57 -12.17 C:58 19.75 -9.53 C:60 18.38 -9.12 C:78 19.75 -13.41 C:76 17.04 -9.53 C:69 16.91 -13.36 C:76 14.94 -12.84 C:43 16.11 -12.17 C:43 16.11 -10.83 C:82 18.38 -13.87 34 1 -2 2 23 2 3 21 1 4 22 1 26 5 -2 33 6 -1 35 7 -1 8 21 2 9 22 2 10 24 2 11 25 2 33 12 -2 36 13 -2 27 14 -2 15 16 2 15 24 1 16 35 1 17 21 1 31 17 -1 18 22 1 32 18 -1 19 25 1 30 19 -2 28 20 -2 29 20 -2 23 27 1 23 28 1 24 33 1 25 26 1 26 36 1 27 30 1 28 29 1 29 31 1 30 36 1 31 35 1 32 34 1 32 36 1 33 34 1 34 35 1', 'C24H29ClO10', 512.711, 'C', 'np06_2_4', 4033, '', 'PachyclaWularia Wiolacea', '1', 45, NULL, NULL),
(16072, '(+)-Gemmacolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]1(O)[C@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@:1]2([CH3:15])[C@H:14](O[C:14001]([CH3:14002])=O)[C@H:13](O[C:13001](=O)[CH2:13002][CH:13003]([CH3:13005])[CH3:13004])[C@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]34[CH2:20]O4', '[H][C@]23[C@H](OC(C)=O)[C@@]1(O)[C@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)[C@H](OC(=O)CC(C)C)[C@H](OC(C)=O)[C@@]34CO4', '[H][C@:51]23[C@H:82](O[C:169]([CH3:21])=O)[C@@:81]1(O)[C@H:35]([CH3:6])[C:174](=O)O[C@H:72]1[C@@H:54](Cl)[C:147](=[CH2:121])[CH2:34][CH2:28][C@H:73](O[C:171]([CH3:22])=O)[C@:47]2([CH3:14])[C@H:73](O[C:169]([CH3:21])=O)[C@H:67](O[C:172](=O)[CH2:43][CH:25]([CH3:22])[CH3:22])[C@H:74](O[C:170]([CH3:21])=O)[C@@:57]34[CH2:50]O4', '49 52 H 18.09 -10.81 C:16 23.19 -9.27 C:2002 19.19 -5.06 C:14002 15.00 -5.84 C:12002 11.44 -12.02 C:9002 17.36 -16.12 C:13005 10.24 -7.18 C:13004 9.02 -9.27 C:18 18.49 -15.19 C:15 17.36 -8.38 O 20.52 -6.99 O 13.77 -7.93 O 12.65 -9.92 O 15.29 -14.87 O 12.65 -7.18 O 21.46 -16.12 O 19.65 -11.60 Cl 23.15 -11.79 C:4 21.01 -8.67 C:3 19.65 -8.26 C:20 16.23 -13.38 C:13002 11.44 -9.27 O 15.00 -12.67 O 18.09 -7.31 O 16.23 -7.93 O 13.86 -12.02 O 17.47 -13.68 O 13.86 -9.27 O 21.83 -13.68 C:2001 19.23 -6.46 C:14001 15.00 -7.23 C:12001 12.65 -11.31 C:9001 16.71 -14.87 C:5 21.83 -9.84 C:13001 12.65 -8.57 C:19 21.01 -14.79 C:13003 10.24 -8.57 C:17 19.65 -14.38 C:6 21.83 -11.31 C:2 18.31 -8.67 C:13 15.07 -9.97 C:7 21.01 -12.48 C:14 16.23 -9.27 C:12 15.07 -11.31 C:9 18.18 -12.48 C:10 17.36 -11.31 C:1 17.36 -9.97 C:8 19.65 -12.99 C:11 16.23 -12.02 46 1 -1 2 34 2 3 30 1 4 31 1 5 32 1 6 33 1 7 37 1 8 37 1 38 9 -1 47 10 -2 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 48 17 -1 39 18 -2 19 20 1 19 34 1 20 40 1 21 23 1 49 21 -2 22 35 1 22 37 1 49 23 -1 24 30 1 40 24 -1 25 31 1 43 25 -1 26 32 1 44 26 -1 27 33 1 45 27 -1 28 35 1 41 28 -1 29 36 1 42 29 -2 34 39 1 36 38 1 38 48 1 39 42 1 40 47 1 41 43 1 41 44 1 42 48 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', '49 52 H 18.09 -10.81 C 23.19 -9.27 C 19.19 -5.06 C 15.00 -5.84 C 11.44 -12.02 C 17.36 -16.12 C 10.24 -7.18 C 9.02 -9.27 C 18.49 -15.19 C 17.36 -8.38 O 20.52 -6.99 O 13.77 -7.93 O 12.65 -9.92 O 15.29 -14.87 O 12.65 -7.18 O 21.46 -16.12 O 19.65 -11.60 Cl 23.15 -11.79 C 21.01 -8.67 C 19.65 -8.26 C 16.23 -13.38 C 11.44 -9.27 O 15.00 -12.67 O 18.09 -7.31 O 16.23 -7.93 O 13.86 -12.02 O 17.47 -13.68 O 13.86 -9.27 O 21.83 -13.68 C 19.23 -6.46 C 15.00 -7.23 C 12.65 -11.31 C 16.71 -14.87 C 21.83 -9.84 C 12.65 -8.57 C 21.01 -14.79 C 10.24 -8.57 C 19.65 -14.38 C 21.83 -11.31 C 18.31 -8.67 C 15.07 -9.97 C 21.01 -12.48 C 16.23 -9.27 C 15.07 -11.31 C 18.18 -12.48 C 17.36 -11.31 C 17.36 -9.97 C 19.65 -12.99 C 16.23 -12.02 46 1 -1 2 34 2 3 30 1 4 31 1 5 32 1 6 33 1 7 37 1 8 37 1 38 9 -1 47 10 -2 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 48 17 -1 39 18 -2 19 20 1 19 34 1 20 40 1 21 23 1 49 21 -2 22 35 1 22 37 1 49 23 -1 24 30 1 40 24 -1 25 31 1 43 25 -1 26 32 1 44 26 -1 27 33 1 45 27 -1 28 35 1 41 28 -1 29 36 1 42 29 -2 34 39 1 36 38 1 38 48 1 39 42 1 40 47 1 41 43 1 41 44 1 42 48 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', '49 52 H 18.09 -10.81 C:121 23.19 -9.27 C:22 19.19 -5.06 C:21 15.00 -5.84 C:21 11.44 -12.02 C:21 17.36 -16.12 C:22 10.24 -7.18 C:22 9.02 -9.27 C:6 18.49 -15.19 C:14 17.36 -8.38 O 20.52 -6.99 O 13.77 -7.93 O 12.65 -9.92 O 15.29 -14.87 O 12.65 -7.18 O 21.46 -16.12 O 19.65 -11.60 Cl 23.15 -11.79 C:34 21.01 -8.67 C:28 19.65 -8.26 C:50 16.23 -13.38 C:43 11.44 -9.27 O 15.00 -12.67 O 18.09 -7.31 O 16.23 -7.93 O 13.86 -12.02 O 17.47 -13.68 O 13.86 -9.27 O 21.83 -13.68 C:171 19.23 -6.46 C:169 15.00 -7.23 C:170 12.65 -11.31 C:169 16.71 -14.87 C:147 21.83 -9.84 C:172 12.65 -8.57 C:174 21.01 -14.79 C:25 10.24 -8.57 C:35 19.65 -14.38 C:54 21.83 -11.31 C:73 18.31 -8.67 C:67 15.07 -9.97 C:72 21.01 -12.48 C:73 16.23 -9.27 C:74 15.07 -11.31 C:82 18.18 -12.48 C:51 17.36 -11.31 C:47 17.36 -9.97 C:81 19.65 -12.99 C:57 16.23 -12.02 46 1 -1 2 34 2 3 30 1 4 31 1 5 32 1 6 33 1 7 37 1 8 37 1 38 9 -1 47 10 -2 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 48 17 -1 39 18 -2 19 20 1 19 34 1 20 40 1 21 23 1 49 21 -2 22 35 1 22 37 1 49 23 -1 24 30 1 40 24 -1 25 31 1 43 25 -1 26 32 1 44 26 -1 27 33 1 45 27 -1 28 35 1 41 28 -1 29 36 1 42 29 -2 34 39 1 36 38 1 38 48 1 39 42 1 40 47 1 41 43 1 41 44 1 42 48 1 43 47 1 44 49 1 45 46 1 45 48 1 46 47 1 46 49 1', 'C33H45ClO14', 700.805, 'C', 'jcspt97_959_2', 4034, '', '', '1', 45, 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
(16073, 'Juncin H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[C@@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001](=O)[CH2:14002][CH:14003]([CH3:14004])[CH3:14005])[CH2:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)CC(C)C)C[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:51]23[C@@H:81](O[C:170]([CH3:21])=O)[C@:82]1(O)[C@@H:36]([CH3:6])[C:175](=O)O[C@H:72]1[C@@H:54](Cl)[C:147](=[CH2:121])[CH2:34][CH2:28][C@@H:73](O[C:171]([CH3:21])=O)[C@@:48]2([CH3:14])[C@@H:73](O[C:172](=O)[CH2:43][CH:25]([CH3:23])[CH3:23])[CH2:30][C@@H:74](O[C:169]([CH3:21])=O)[C@:58]34[CH2:51]O4', '45 48 H 16.90 -11.48 C:16 21.97 -9.94 C:2002 18.02 -5.73 C:12002 10.27 -12.68 C:9002 16.17 -16.80 C:14004 12.57 -4.42 C:14005 11.38 -6.52 C:18 17.30 -15.87 C:15 16.17 -9.05 O 19.34 -7.66 O 11.47 -10.59 O 14.10 -15.55 O 12.57 -8.60 O 20.28 -16.80 O 18.47 -12.27 Cl 21.97 -12.45 C:4 19.83 -9.34 C:3 18.47 -8.93 C:20 15.04 -14.06 C:14002 13.81 -6.52 C:13 13.88 -10.59 O 13.81 -13.34 O 16.90 -7.97 O 12.66 -12.68 O 15.04 -8.60 O 16.28 -14.36 O 20.65 -14.36 C:2001 18.05 -7.13 C:12001 11.47 -11.98 C:9001 15.52 -15.55 C:5 20.65 -10.51 C:14001 13.81 -7.89 C:19 19.83 -15.47 C:14003 12.57 -5.82 C:17 18.47 -15.06 C:6 20.65 -11.98 C:2 17.12 -9.34 C:14 15.04 -9.94 C:12 13.88 -11.98 C:7 19.83 -13.15 C:9 16.99 -13.15 C:10 16.17 -11.98 C:1 16.17 -10.59 C:8 18.47 -13.66 C:11 15.04 -12.68 42 1 -2 2 31 2 3 28 1 4 29 1 5 30 1 6 34 1 7 34 1 35 8 -2 43 9 -1 10 28 2 11 29 2 12 30 2 13 32 2 14 33 2 44 15 -2 36 16 -2 17 18 1 17 31 1 18 37 1 19 22 1 45 19 -1 20 32 1 20 34 1 21 38 1 21 39 1 45 22 -2 23 28 1 37 23 -2 24 29 1 39 24 -2 25 32 1 38 25 -2 26 30 1 41 26 -2 27 33 1 40 27 -2 31 36 1 33 35 1 35 44 1 36 40 1 37 43 1 38 43 1 39 45 1 40 44 1 41 42 1 41 44 1 42 43 1 42 45 1', '45 48 H 16.90 -11.48 C 21.97 -9.94 C 18.02 -5.73 C 10.27 -12.68 C 16.17 -16.80 C 12.57 -4.42 C 11.38 -6.52 C 17.30 -15.87 C 16.17 -9.05 O 19.34 -7.66 O 11.47 -10.59 O 14.10 -15.55 O 12.57 -8.60 O 20.28 -16.80 O 18.47 -12.27 Cl 21.97 -12.45 C 19.83 -9.34 C 18.47 -8.93 C 15.04 -14.06 C 13.81 -6.52 C 13.88 -10.59 O 13.81 -13.34 O 16.90 -7.97 O 12.66 -12.68 O 15.04 -8.60 O 16.28 -14.36 O 20.65 -14.36 C 18.05 -7.13 C 11.47 -11.98 C 15.52 -15.55 C 20.65 -10.51 C 13.81 -7.89 C 19.83 -15.47 C 12.57 -5.82 C 18.47 -15.06 C 20.65 -11.98 C 17.12 -9.34 C 15.04 -9.94 C 13.88 -11.98 C 19.83 -13.15 C 16.99 -13.15 C 16.17 -11.98 C 16.17 -10.59 C 18.47 -13.66 C 15.04 -12.68 42 1 -2 2 31 2 3 28 1 4 29 1 5 30 1 6 34 1 7 34 1 35 8 -2 43 9 -1 10 28 2 11 29 2 12 30 2 13 32 2 14 33 2 44 15 -2 36 16 -2 17 18 1 17 31 1 18 37 1 19 22 1 45 19 -1 20 32 1 20 34 1 21 38 1 21 39 1 45 22 -2 23 28 1 37 23 -2 24 29 1 39 24 -2 25 32 1 38 25 -2 26 30 1 41 26 -2 27 33 1 40 27 -2 31 36 1 33 35 1 35 44 1 36 40 1 37 43 1 38 43 1 39 45 1 40 44 1 41 42 1 41 44 1 42 43 1 42 45 1', '45 48 H 16.90 -11.48 C:121 21.97 -9.94 C:21 18.02 -5.73 C:21 10.27 -12.68 C:21 16.17 -16.80 C:23 12.57 -4.42 C:23 11.38 -6.52 C:6 17.30 -15.87 C:14 16.17 -9.05 O 19.34 -7.66 O 11.47 -10.59 O 14.10 -15.55 O 12.57 -8.60 O 20.28 -16.80 O 18.47 -12.27 Cl 21.97 -12.45 C:34 19.83 -9.34 C:28 18.47 -8.93 C:51 15.04 -14.06 C:43 13.81 -6.52 C:30 13.88 -10.59 O 13.81 -13.34 O 16.90 -7.97 O 12.66 -12.68 O 15.04 -8.60 O 16.28 -14.36 O 20.65 -14.36 C:171 18.05 -7.13 C:169 11.47 -11.98 C:170 15.52 -15.55 C:147 20.65 -10.51 C:172 13.81 -7.89 C:175 19.83 -15.47 C:25 12.57 -5.82 C:36 18.47 -15.06 C:54 20.65 -11.98 C:73 17.12 -9.34 C:73 15.04 -9.94 C:74 13.88 -11.98 C:72 19.83 -13.15 C:81 16.99 -13.15 C:51 16.17 -11.98 C:48 16.17 -10.59 C:82 18.47 -13.66 C:58 15.04 -12.68 42 1 -2 2 31 2 3 28 1 4 29 1 5 30 1 6 34 1 7 34 1 35 8 -2 43 9 -1 10 28 2 11 29 2 12 30 2 13 32 2 14 33 2 44 15 -2 36 16 -2 17 18 1 17 31 1 18 37 1 19 22 1 45 19 -1 20 32 1 20 34 1 21 38 1 21 39 1 45 22 -2 23 28 1 37 23 -2 24 29 1 39 24 -2 25 32 1 38 25 -2 26 30 1 41 26 -2 27 33 1 40 27 -2 31 36 1 33 35 1 35 44 1 36 40 1 37 43 1 38 43 1 39 45 1 40 44 1 41 42 1 41 44 1 42 43 1 42 45 1', 'C31H43ClO12', 642.785, 'C', 'jcspt97_959_3', 4034, '', '', '1', 45, NULL, NULL),
(16074, '(+)-Gemmacolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]1(O)[C@H:17]([CH3:18])[C:19](=O)O[C@@H:7]1[C@H:6](Cl)[C:5](=[CH2:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@:1]2([CH3:15])[C@H:14](O[C:14001]([CH3:14002])=O)[C@H:13](O[C:13001]([CH3:13002])=O)[C@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]34[CH2:20]O4', '[H][C@]23[C@H](OC(C)=O)[C@@]1(O)[C@H](C)C(=O)O[C@@H]1[C@H](Cl)C(=C)CC[C@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34CO4', '[H][C@:51]23[C@H:81](O[C:170]([CH3:21])=O)[C@@:81]1(O)[C@H:35]([CH3:66])[C:174](=O)O[C@@H:71]1[C@H:54](Cl)[C:147](=[CH2:121])[CH2:33][CH2:28][C@H:73](O[C:171]([CH3:22])=O)[C@:47]2([CH3:14])[C@H:73](O[C:170]([CH3:21])=O)[C@H:67](O[C:170]([CH3:21])=O)[C@H:74](O[C:170]([CH3:21])=O)[C@@:57]34[CH2:50]O4', '46 49 H 18.05 -11.65 C:16 23.10 -10.11 C:2002 19.19 -5.90 C:13002 11.40 -10.11 C:14002 14.96 -6.68 C:12002 11.40 -12.86 C:9002 17.32 -16.97 C:18 18.45 -16.04 C:15 17.32 -9.21 O 20.48 -7.82 O 12.61 -8.01 O 13.73 -8.76 O 12.61 -10.76 O 15.25 -15.72 O 21.41 -16.97 O 19.61 -12.44 Cl 23.10 -12.63 C:4 20.96 -9.51 C:3 19.61 -9.09 C:20 16.19 -14.23 O 14.96 -13.52 O 18.05 -8.14 O 13.82 -10.11 O 16.19 -8.76 O 13.82 -12.86 O 17.43 -14.53 O 21.78 -14.53 C:2001 19.19 -7.30 C:13001 12.61 -9.41 C:14001 14.96 -8.06 C:12001 12.61 -12.15 C:9001 16.67 -15.72 C:5 21.78 -10.68 C:19 20.96 -15.64 C:17 19.61 -15.23 C:6 21.78 -12.15 C:2 18.27 -9.51 C:13 15.03 -10.81 C:7 20.96 -13.33 C:14 16.19 -10.11 C:12 15.03 -12.15 C:9 18.14 -13.33 C:10 17.32 -12.15 C:1 17.32 -10.81 C:8 19.61 -13.84 C:11 16.19 -12.86 43 1 -1 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 35 8 -1 44 9 -2 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 45 16 -1 36 17 -1 18 19 1 18 33 1 19 37 1 20 21 1 46 20 -2 46 21 -1 22 28 1 37 22 -1 23 29 1 38 23 -1 24 30 1 40 24 -1 25 31 1 41 25 -1 26 32 1 42 26 -1 27 34 1 39 27 -1 33 36 1 34 35 1 35 45 1 36 39 1 37 44 1 38 40 1 38 41 1 39 45 1 40 44 1 41 46 1 42 43 1 42 45 1 43 44 1 43 46 1', '46 49 H 18.05 -11.65 C 23.10 -10.11 C 19.19 -5.90 C 11.40 -10.11 C 14.96 -6.68 C 11.40 -12.86 C 17.32 -16.97 C 18.45 -16.04 C 17.32 -9.21 O 20.48 -7.82 O 12.61 -8.01 O 13.73 -8.76 O 12.61 -10.76 O 15.25 -15.72 O 21.41 -16.97 O 19.61 -12.44 Cl 23.10 -12.63 C 20.96 -9.51 C 19.61 -9.09 C 16.19 -14.23 O 14.96 -13.52 O 18.05 -8.14 O 13.82 -10.11 O 16.19 -8.76 O 13.82 -12.86 O 17.43 -14.53 O 21.78 -14.53 C 19.19 -7.30 C 12.61 -9.41 C 14.96 -8.06 C 12.61 -12.15 C 16.67 -15.72 C 21.78 -10.68 C 20.96 -15.64 C 19.61 -15.23 C 21.78 -12.15 C 18.27 -9.51 C 15.03 -10.81 C 20.96 -13.33 C 16.19 -10.11 C 15.03 -12.15 C 18.14 -13.33 C 17.32 -12.15 C 17.32 -10.81 C 19.61 -13.84 C 16.19 -12.86 43 1 -1 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 35 8 -1 44 9 -2 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 45 16 -1 36 17 -1 18 19 1 18 33 1 19 37 1 20 21 1 46 20 -2 46 21 -1 22 28 1 37 22 -1 23 29 1 38 23 -1 24 30 1 40 24 -1 25 31 1 41 25 -1 26 32 1 42 26 -1 27 34 1 39 27 -1 33 36 1 34 35 1 35 45 1 36 39 1 37 44 1 38 40 1 38 41 1 39 45 1 40 44 1 41 46 1 42 43 1 42 45 1 43 44 1 43 46 1', '46 49 H 18.05 -11.65 C:121 23.10 -10.11 C:22 19.19 -5.90 C:21 11.40 -10.11 C:21 14.96 -6.68 C:21 11.40 -12.86 C:21 17.32 -16.97 C:6 18.45 -16.04 C:14 17.32 -9.21 O 20.48 -7.82 O 12.61 -8.01 O 13.73 -8.76 O 12.61 -10.76 O 15.25 -15.72 O 21.41 -16.97 O 19.61 -12.44 Cl 23.10 -12.63 C:33 20.96 -9.51 C:28 19.61 -9.09 C:50 16.19 -14.23 O 14.96 -13.52 O 18.05 -8.14 O 13.82 -10.11 O 16.19 -8.76 O 13.82 -12.86 O 17.43 -14.53 O 21.78 -14.53 C:171 19.19 -7.30 C:170 12.61 -9.41 C:170 14.96 -8.06 C:170 12.61 -12.15 C:170 16.67 -15.72 C:147 21.78 -10.68 C:174 20.96 -15.64 C:35 19.61 -15.23 C:54 21.78 -12.15 C:73 18.27 -9.51 C:67 15.03 -10.81 C:71 20.96 -13.33 C:73 16.19 -10.11 C:74 15.03 -12.15 C:81 18.14 -13.33 C:51 17.32 -12.15 C:47 17.32 -10.81 C:81 19.61 -13.84 C:57 16.19 -12.86 43 1 -1 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 35 8 -1 44 9 -2 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 15 34 2 45 16 -1 36 17 -1 18 19 1 18 33 1 19 37 1 20 21 1 46 20 -2 46 21 -1 22 28 1 37 22 -1 23 29 1 38 23 -1 24 30 1 40 24 -1 25 31 1 41 25 -1 26 32 1 42 26 -1 27 34 1 39 27 -1 33 36 1 34 35 1 35 45 1 36 39 1 37 44 1 38 40 1 38 41 1 39 45 1 40 44 1 41 46 1 42 43 1 42 45 1 43 44 1 43 46 1', 'C30H39ClO14', 658.773, 'C', 'jcspt97_959_4', 4034, '', '', '1', 45, NULL, NULL),
(16075, 'Briareolate ester D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C:9](=O)[C@@:8]1([C@@H:17]([CH3:18])[C:19](=O)O[CH3:19001])O[C@@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12](O)[C@H:11]3[CH3:20]', '[H][C@@]23C(=O)[C@@]1([C@@H](C)C(=O)OC)O[C@@H]1C=C(C)CC[C@H](OC(=O)CCC)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H](O)[C@H]3C', '[H][C@@:42]23[C:209](=O)[C@@:70]1([C@@H:39]([CH3:13])[C:172](=O)O[CH3:52])O[C@@H:63]1[CH:115]=[C:145]([CH3:26])[CH2:33][CH2:30][C@H:79](O[C:174](=O)[CH2:36][CH2:18][CH3:14])[C@@:47]2([CH3:12])[C@@H:74](O[C:170]([CH3:22])=O)[CH2:31][C@@H:70](O)[C@H:37]3[CH3:16]', '37 39 H 15.72 -11.67 C:2004 18.07 -3.80 C:19001 20.32 -17.41 C:14002 12.63 -6.68 C:16 20.83 -10.15 C:18 16.12 -16.05 C:20 13.84 -14.26 C:15 15.02 -9.25 O 11.40 -8.79 O 18.13 -7.89 O 19.67 -14.75 O 15.02 -14.52 O 11.49 -12.89 C:6 19.47 -12.17 C:2003 18.07 -5.20 C:2002 16.86 -5.90 C:4 18.64 -9.54 C:3 17.28 -9.13 C:13 12.70 -10.83 O 18.97 -17.02 O 13.84 -8.79 O 15.72 -8.17 O 18.39 -14.75 C:14001 12.63 -8.07 C:5 19.47 -10.70 C:2001 16.86 -7.30 C:19 18.64 -15.66 C:9 15.81 -13.36 C:17 17.28 -15.26 C:11 13.84 -12.89 C:12 12.70 -12.17 C:7 18.64 -13.36 C:2 15.94 -9.54 C:14 13.84 -10.15 C:10 15.02 -12.17 C:1 15.02 -10.83 C:8 17.28 -13.87 35 1 -2 2 15 1 3 20 1 4 24 1 5 25 1 29 6 -2 30 7 -2 36 8 -1 9 24 2 10 26 2 11 27 2 12 28 2 31 13 -2 14 25 2 14 32 1 15 16 1 16 26 1 17 18 1 17 25 1 18 33 1 19 31 1 19 34 1 20 27 1 21 24 1 34 21 -2 22 26 1 33 22 -1 32 23 -1 37 23 -2 27 29 1 28 35 1 28 37 1 29 37 1 30 31 1 30 35 1 32 37 1 33 36 1 34 36 1 35 36 1', '37 39 H 15.72 -11.67 C 18.07 -3.80 C 20.32 -17.41 C 12.63 -6.68 C 20.83 -10.15 C 16.12 -16.05 C 13.84 -14.26 C 15.02 -9.25 O 11.40 -8.79 O 18.13 -7.89 O 19.67 -14.75 O 15.02 -14.52 O 11.49 -12.89 C 19.47 -12.17 C 18.07 -5.20 C 16.86 -5.90 C 18.64 -9.54 C 17.28 -9.13 C 12.70 -10.83 O 18.97 -17.02 O 13.84 -8.79 O 15.72 -8.17 O 18.39 -14.75 C 12.63 -8.07 C 19.47 -10.70 C 16.86 -7.30 C 18.64 -15.66 C 15.81 -13.36 C 17.28 -15.26 C 13.84 -12.89 C 12.70 -12.17 C 18.64 -13.36 C 15.94 -9.54 C 13.84 -10.15 C 15.02 -12.17 C 15.02 -10.83 C 17.28 -13.87 35 1 -2 2 15 1 3 20 1 4 24 1 5 25 1 29 6 -2 30 7 -2 36 8 -1 9 24 2 10 26 2 11 27 2 12 28 2 31 13 -2 14 25 2 14 32 1 15 16 1 16 26 1 17 18 1 17 25 1 18 33 1 19 31 1 19 34 1 20 27 1 21 24 1 34 21 -2 22 26 1 33 22 -1 32 23 -1 37 23 -2 27 29 1 28 35 1 28 37 1 29 37 1 30 31 1 30 35 1 32 37 1 33 36 1 34 36 1 35 36 1', '37 39 H 15.72 -11.67 C:14 18.07 -3.80 C:52 20.32 -17.41 C:22 12.63 -6.68 C:26 20.83 -10.15 C:13 16.12 -16.05 C:16 13.84 -14.26 C:12 15.02 -9.25 O 11.40 -8.79 O 18.13 -7.89 O 19.67 -14.75 O 15.02 -14.52 O 11.49 -12.89 C:115 19.47 -12.17 C:18 18.07 -5.20 C:36 16.86 -5.90 C:33 18.64 -9.54 C:30 17.28 -9.13 C:31 12.70 -10.83 O 18.97 -17.02 O 13.84 -8.79 O 15.72 -8.17 O 18.39 -14.75 C:170 12.63 -8.07 C:145 19.47 -10.70 C:174 16.86 -7.30 C:172 18.64 -15.66 C:209 15.81 -13.36 C:39 17.28 -15.26 C:37 13.84 -12.89 C:70 12.70 -12.17 C:63 18.64 -13.36 C:79 15.94 -9.54 C:74 13.84 -10.15 C:42 15.02 -12.17 C:47 15.02 -10.83 C:70 17.28 -13.87 35 1 -2 2 15 1 3 20 1 4 24 1 5 25 1 29 6 -2 30 7 -2 36 8 -1 9 24 2 10 26 2 11 27 2 12 28 2 31 13 -2 14 25 2 14 32 1 15 16 1 16 26 1 17 18 1 17 25 1 18 33 1 19 31 1 19 34 1 20 27 1 21 24 1 34 21 -2 22 26 1 33 22 -1 32 23 -1 37 23 -2 27 29 1 28 35 1 28 37 1 29 37 1 30 31 1 30 35 1 32 37 1 33 36 1 34 36 1 35 36 1', 'C27H40O9', 508.291, 'C', 'tt96_9953_4', 4035, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16076, 'Briareolate ester E', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C:9](=O)[C@@:8]1([C@@H:17]([CH3:18])[C:19](=O)O[CH3:19001])O[C@@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@H:11]3[CH3:20]', '[H][C@@]23C(=O)[C@@]1([C@@H](C)C(=O)OC)O[C@@H]1C=C(C)CC[C@H](OC(=O)CCC)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]3C', '[H][C@@:43]23[C:210](=O)[C@@:70]1([C@@H:40]([CH3:13])[C:172](=O)O[CH3:52])O[C@@H:63]1[CH:115]=[C:146]([CH3:27])[CH2:32][CH2:30][C@H:79](O[C:174](=O)[CH2:36][CH2:18][CH3:14])[C@@:47]2([CH3:12])[C@@H:73](O[C:171]([CH3:21])=O)[CH2:29][C@@H:71](O[C:170]([CH3:21])=O)[C@H:35]3[CH3:16]', '40 42 H 16.89 -11.51 C:2004 19.26 -3.65 C:19001 21.06 -17.57 C:12002 10.23 -12.76 C:14002 13.80 -6.52 C:16 21.99 -9.99 C:18 17.29 -15.89 C:20 15.01 -14.10 C:15 16.19 -9.09 O 11.44 -10.64 O 12.57 -8.63 O 19.30 -7.73 O 20.83 -14.59 O 16.19 -14.36 C:6 20.63 -12.04 C:2003 19.25 -5.05 C:2002 18.04 -5.74 C:4 19.81 -9.38 C:3 18.45 -8.97 C:13 13.87 -10.64 O 19.84 -16.89 O 12.66 -12.76 O 15.01 -8.63 O 16.89 -8.01 O 19.56 -14.59 C:12001 11.44 -12.04 C:14001 13.80 -7.91 C:5 20.63 -10.54 C:2001 18.03 -7.14 C:19 19.81 -15.50 C:9 16.98 -13.20 C:17 18.45 -15.10 C:11 15.01 -12.76 C:7 19.81 -13.20 C:12 13.87 -12.04 C:2 17.11 -9.38 C:14 15.01 -9.99 C:10 16.19 -12.04 C:1 16.19 -10.64 C:8 18.45 -13.71 38 1 -2 2 16 1 3 21 1 4 26 1 5 27 1 6 28 1 32 7 -2 33 8 -2 39 9 -1 10 26 2 11 27 2 12 29 2 13 30 2 14 31 2 15 28 2 15 34 1 16 17 1 17 29 1 18 19 1 18 28 1 19 36 1 20 35 1 20 37 1 21 30 1 22 26 1 35 22 -2 23 27 1 37 23 -2 24 29 1 36 24 -1 34 25 -1 40 25 -2 30 32 1 31 38 1 31 40 1 32 40 1 33 35 1 33 38 1 34 40 1 36 39 1 37 39 1 38 39 1', '40 42 H 16.89 -11.51 C 19.26 -3.65 C 21.06 -17.57 C 10.23 -12.76 C 13.80 -6.52 C 21.99 -9.99 C 17.29 -15.89 C 15.01 -14.10 C 16.19 -9.09 O 11.44 -10.64 O 12.57 -8.63 O 19.30 -7.73 O 20.83 -14.59 O 16.19 -14.36 C 20.63 -12.04 C 19.25 -5.05 C 18.04 -5.74 C 19.81 -9.38 C 18.45 -8.97 C 13.87 -10.64 O 19.84 -16.89 O 12.66 -12.76 O 15.01 -8.63 O 16.89 -8.01 O 19.56 -14.59 C 11.44 -12.04 C 13.80 -7.91 C 20.63 -10.54 C 18.03 -7.14 C 19.81 -15.50 C 16.98 -13.20 C 18.45 -15.10 C 15.01 -12.76 C 19.81 -13.20 C 13.87 -12.04 C 17.11 -9.38 C 15.01 -9.99 C 16.19 -12.04 C 16.19 -10.64 C 18.45 -13.71 38 1 -2 2 16 1 3 21 1 4 26 1 5 27 1 6 28 1 32 7 -2 33 8 -2 39 9 -1 10 26 2 11 27 2 12 29 2 13 30 2 14 31 2 15 28 2 15 34 1 16 17 1 17 29 1 18 19 1 18 28 1 19 36 1 20 35 1 20 37 1 21 30 1 22 26 1 35 22 -2 23 27 1 37 23 -2 24 29 1 36 24 -1 34 25 -1 40 25 -2 30 32 1 31 38 1 31 40 1 32 40 1 33 35 1 33 38 1 34 40 1 36 39 1 37 39 1 38 39 1', '40 42 H 16.89 -11.51 C:14 19.26 -3.65 C:52 21.06 -17.57 C:21 10.23 -12.76 C:21 13.80 -6.52 C:27 21.99 -9.99 C:13 17.29 -15.89 C:16 15.01 -14.10 C:12 16.19 -9.09 O 11.44 -10.64 O 12.57 -8.63 O 19.30 -7.73 O 20.83 -14.59 O 16.19 -14.36 C:115 20.63 -12.04 C:18 19.25 -5.05 C:36 18.04 -5.74 C:32 19.81 -9.38 C:30 18.45 -8.97 C:29 13.87 -10.64 O 19.84 -16.89 O 12.66 -12.76 O 15.01 -8.63 O 16.89 -8.01 O 19.56 -14.59 C:170 11.44 -12.04 C:171 13.80 -7.91 C:146 20.63 -10.54 C:174 18.03 -7.14 C:172 19.81 -15.50 C:210 16.98 -13.20 C:40 18.45 -15.10 C:35 15.01 -12.76 C:63 19.81 -13.20 C:71 13.87 -12.04 C:79 17.11 -9.38 C:73 15.01 -9.99 C:43 16.19 -12.04 C:47 16.19 -10.64 C:70 18.45 -13.71 38 1 -2 2 16 1 3 21 1 4 26 1 5 27 1 6 28 1 32 7 -2 33 8 -2 39 9 -1 10 26 2 11 27 2 12 29 2 13 30 2 14 31 2 15 28 2 15 34 1 16 17 1 17 29 1 18 19 1 18 28 1 19 36 1 20 35 1 20 37 1 21 30 1 22 26 1 35 22 -2 23 27 1 37 23 -2 24 29 1 36 24 -1 34 25 -1 40 25 -2 30 32 1 31 38 1 31 40 1 32 40 1 33 35 1 33 38 1 34 40 1 36 39 1 37 39 1 38 39 1', 'C29H42O10', 550.312, 'C', 'tt96_9953_5', 4035, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16077, 'Briareolate ester F', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C:9](=O)[C@@:8]1([C@@H:17]([CH3:18])[C:19](=O)O[CH3:19001])O[C@@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@H:11]3[CH3:20]', '[H][C@@]23C(=O)[C@@]1([C@@H](C)C(=O)OC)O[C@@H]1C=C(C)CC[C@H](OC(=O)CCC)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)CCC)[C@H]3C', '[H][C@@:43]23[C:210](=O)[C@@:70]1([C@@H:39]([CH3:13])[C:172](=O)O[CH3:52])O[C@@H:63]1[CH:115]=[C:145]([CH3:26])[CH2:33][CH2:30][C@H:79](O[C:174](=O)[CH2:36][CH2:18][CH3:14])[C@@:47]2([CH3:12])[C@@H:72](O[C:171]([CH3:22])=O)[CH2:29][C@@H:70](O[C:173](=O)[CH2:37][CH2:19][CH3:14])[C@H:35]3[CH3:16]', '42 44 H 18.13 -11.73 C:12004 9.05 -13.01 C:2004 19.99 -3.72 C:19001 22.73 -17.47 C:14002 15.04 -6.74 C:16 23.24 -10.21 C:18 18.53 -16.11 C:20 16.25 -14.32 C:15 17.43 -9.31 O 13.81 -8.85 O 12.67 -10.86 O 20.57 -7.88 O 22.08 -14.81 O 17.43 -14.58 C:6 21.88 -12.23 C:12003 10.25 -12.30 C:2003 20.18 -5.11 C:12002 11.47 -12.98 C:2002 19.08 -5.97 C:4 21.05 -9.60 C:3 19.69 -9.19 C:13 15.11 -10.89 O 21.38 -17.08 O 16.25 -8.85 O 13.90 -12.95 O 18.13 -8.23 O 20.80 -14.81 C:14001 15.04 -8.13 C:5 21.88 -10.76 C:12001 12.68 -12.26 C:2001 19.27 -7.36 C:19 21.05 -15.72 C:9 18.22 -13.42 C:17 19.69 -15.32 C:11 16.25 -12.95 C:7 21.05 -13.42 C:12 15.11 -12.23 C:2 18.35 -9.60 C:14 16.25 -10.21 C:10 17.43 -12.23 C:1 17.43 -10.89 C:8 19.69 -13.93 40 1 -2 2 16 1 3 17 1 4 23 1 5 28 1 6 29 1 34 7 -2 35 8 -2 41 9 -1 10 28 2 11 30 2 12 31 2 13 32 2 14 33 2 15 29 2 15 36 1 16 18 1 17 19 1 18 30 1 19 31 1 20 21 1 20 29 1 21 38 1 22 37 1 22 39 1 23 32 1 24 28 1 39 24 -2 25 30 1 37 25 -2 26 31 1 38 26 -1 36 27 -1 42 27 -2 32 34 1 33 40 1 33 42 1 34 42 1 35 37 1 35 40 1 36 42 1 38 41 1 39 41 1 40 41 1', '42 44 H 18.13 -11.73 C 9.05 -13.01 C 19.99 -3.72 C 22.73 -17.47 C 15.04 -6.74 C 23.24 -10.21 C 18.53 -16.11 C 16.25 -14.32 C 17.43 -9.31 O 13.81 -8.85 O 12.67 -10.86 O 20.57 -7.88 O 22.08 -14.81 O 17.43 -14.58 C 21.88 -12.23 C 10.25 -12.30 C 20.18 -5.11 C 11.47 -12.98 C 19.08 -5.97 C 21.05 -9.60 C 19.69 -9.19 C 15.11 -10.89 O 21.38 -17.08 O 16.25 -8.85 O 13.90 -12.95 O 18.13 -8.23 O 20.80 -14.81 C 15.04 -8.13 C 21.88 -10.76 C 12.68 -12.26 C 19.27 -7.36 C 21.05 -15.72 C 18.22 -13.42 C 19.69 -15.32 C 16.25 -12.95 C 21.05 -13.42 C 15.11 -12.23 C 18.35 -9.60 C 16.25 -10.21 C 17.43 -12.23 C 17.43 -10.89 C 19.69 -13.93 40 1 -2 2 16 1 3 17 1 4 23 1 5 28 1 6 29 1 34 7 -2 35 8 -2 41 9 -1 10 28 2 11 30 2 12 31 2 13 32 2 14 33 2 15 29 2 15 36 1 16 18 1 17 19 1 18 30 1 19 31 1 20 21 1 20 29 1 21 38 1 22 37 1 22 39 1 23 32 1 24 28 1 39 24 -2 25 30 1 37 25 -2 26 31 1 38 26 -1 36 27 -1 42 27 -2 32 34 1 33 40 1 33 42 1 34 42 1 35 37 1 35 40 1 36 42 1 38 41 1 39 41 1 40 41 1', '42 44 H 18.13 -11.73 C:14 9.05 -13.01 C:14 19.99 -3.72 C:52 22.73 -17.47 C:22 15.04 -6.74 C:26 23.24 -10.21 C:13 18.53 -16.11 C:16 16.25 -14.32 C:12 17.43 -9.31 O 13.81 -8.85 O 12.67 -10.86 O 20.57 -7.88 O 22.08 -14.81 O 17.43 -14.58 C:115 21.88 -12.23 C:19 10.25 -12.30 C:18 20.18 -5.11 C:37 11.47 -12.98 C:36 19.08 -5.97 C:33 21.05 -9.60 C:30 19.69 -9.19 C:29 15.11 -10.89 O 21.38 -17.08 O 16.25 -8.85 O 13.90 -12.95 O 18.13 -8.23 O 20.80 -14.81 C:171 15.04 -8.13 C:145 21.88 -10.76 C:173 12.68 -12.26 C:174 19.27 -7.36 C:172 21.05 -15.72 C:210 18.22 -13.42 C:39 19.69 -15.32 C:35 16.25 -12.95 C:63 21.05 -13.42 C:70 15.11 -12.23 C:79 18.35 -9.60 C:72 16.25 -10.21 C:43 17.43 -12.23 C:47 17.43 -10.89 C:70 19.69 -13.93 40 1 -2 2 16 1 3 17 1 4 23 1 5 28 1 6 29 1 34 7 -2 35 8 -2 41 9 -1 10 28 2 11 30 2 12 31 2 13 32 2 14 33 2 15 29 2 15 36 1 16 18 1 17 19 1 18 30 1 19 31 1 20 21 1 20 29 1 21 38 1 22 37 1 22 39 1 23 32 1 24 28 1 39 24 -2 25 30 1 37 25 -2 26 31 1 38 26 -1 36 27 -1 42 27 -2 32 34 1 33 40 1 33 42 1 34 42 1 35 37 1 35 40 1 36 42 1 38 41 1 39 41 1 40 41 1', 'C31H46O10', 578.334, 'C', 'tt96_9953_6', 4035, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16078, 'Briareolate ester G', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C:9](=O)[C:8]([C@@H:17]([CH3:18])[C:19](=O)O[CH3:19001])=[CH:7][CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]1([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12](O)[C@H:11]2[CH3:20]', '[H][C@@]12C(=O)C([C@@H](C)C(=O)OC)=CC=C(C)CC[C@H](OC(=O)CCC)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](O)[C@H]2C', '[H][C@@:46]12[C:206](=O)[C:144]([C@@H:44]([CH3:19])[C:175](=O)O[CH3:52])=[CH:138][CH:124]=[C:145]([CH3:27])[CH2:29][CH2:31][C@H:74](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[C@@:45]1([CH3:14])[C@@H:76](O[C:169]([CH3:21])=O)[CH2:32][C@@H:71](O)[C@H:39]2[CH3:17]', '36 37 H 16.85 -12.58 C:2004 18.70 -4.56 C:19001 21.44 -18.31 C:14002 13.76 -7.58 C:16 21.95 -11.05 C:18 17.25 -16.96 C:20 14.97 -15.17 C:15 16.15 -10.15 O 12.53 -9.69 O 19.28 -8.72 O 20.79 -15.66 O 16.15 -15.43 O 12.62 -13.80 C:6 20.59 -13.08 C:7 19.76 -14.27 C:2003 18.89 -5.95 C:2002 17.80 -6.81 C:4 19.76 -10.44 C:3 18.40 -10.03 C:13 13.83 -11.74 O 20.09 -17.92 O 14.97 -9.69 O 16.85 -9.07 C:14001 13.76 -8.97 C:5 20.59 -11.60 C:2001 17.98 -8.20 C:19 19.76 -16.57 C:9 16.94 -14.27 C:8 18.40 -14.78 C:17 18.40 -16.17 C:11 14.97 -13.80 C:12 13.83 -13.08 C:2 17.07 -10.44 C:14 14.97 -11.05 C:10 16.15 -13.08 C:1 16.15 -11.74 35 1 -2 2 16 1 3 21 1 4 24 1 5 25 1 30 6 -2 31 7 -2 36 8 -1 9 24 2 10 26 2 11 27 2 12 28 2 32 13 -2 14 15 1 14 25 2 15 29 2 16 17 1 17 26 1 18 19 1 18 25 1 19 33 1 20 32 1 20 34 1 21 27 1 22 24 1 34 22 -2 23 26 1 33 23 -1 27 30 1 28 29 1 28 35 1 29 30 1 31 32 1 31 35 1 33 36 1 34 36 1 35 36 1', '36 37 H 16.85 -12.58 C 18.70 -4.56 C 21.44 -18.31 C 13.76 -7.58 C 21.95 -11.05 C 17.25 -16.96 C 14.97 -15.17 C 16.15 -10.15 O 12.53 -9.69 O 19.28 -8.72 O 20.79 -15.66 O 16.15 -15.43 O 12.62 -13.80 C 20.59 -13.08 C 19.76 -14.27 C 18.89 -5.95 C 17.80 -6.81 C 19.76 -10.44 C 18.40 -10.03 C 13.83 -11.74 O 20.09 -17.92 O 14.97 -9.69 O 16.85 -9.07 C 13.76 -8.97 C 20.59 -11.60 C 17.98 -8.20 C 19.76 -16.57 C 16.94 -14.27 C 18.40 -14.78 C 18.40 -16.17 C 14.97 -13.80 C 13.83 -13.08 C 17.07 -10.44 C 14.97 -11.05 C 16.15 -13.08 C 16.15 -11.74 35 1 -2 2 16 1 3 21 1 4 24 1 5 25 1 30 6 -2 31 7 -2 36 8 -1 9 24 2 10 26 2 11 27 2 12 28 2 32 13 -2 14 15 1 14 25 2 15 29 2 16 17 1 17 26 1 18 19 1 18 25 1 19 33 1 20 32 1 20 34 1 21 27 1 22 24 1 34 22 -2 23 26 1 33 23 -1 27 30 1 28 29 1 28 35 1 29 30 1 31 32 1 31 35 1 33 36 1 34 36 1 35 36 1', '36 37 H 16.85 -12.58 C:14 18.70 -4.56 C:52 21.44 -18.31 C:21 13.76 -7.58 C:27 21.95 -11.05 C:19 17.25 -16.96 C:17 14.97 -15.17 C:14 16.15 -10.15 O 12.53 -9.69 O 19.28 -8.72 O 20.79 -15.66 O 16.15 -15.43 O 12.62 -13.80 C:124 20.59 -13.08 C:138 19.76 -14.27 C:18 18.89 -5.95 C:36 17.80 -6.81 C:29 19.76 -10.44 C:31 18.40 -10.03 C:32 13.83 -11.74 O 20.09 -17.92 O 14.97 -9.69 O 16.85 -9.07 C:169 13.76 -8.97 C:145 20.59 -11.60 C:173 17.98 -8.20 C:175 19.76 -16.57 C:206 16.94 -14.27 C:144 18.40 -14.78 C:44 18.40 -16.17 C:39 14.97 -13.80 C:71 13.83 -13.08 C:74 17.07 -10.44 C:76 14.97 -11.05 C:46 16.15 -13.08 C:45 16.15 -11.74 35 1 -2 2 16 1 3 21 1 4 24 1 5 25 1 30 6 -2 31 7 -2 36 8 -1 9 24 2 10 26 2 11 27 2 12 28 2 32 13 -2 14 15 1 14 25 2 15 29 2 16 17 1 17 26 1 18 19 1 18 25 1 19 33 1 20 32 1 20 34 1 21 27 1 22 24 1 34 22 -2 23 26 1 33 23 -1 27 30 1 28 29 1 28 35 1 29 30 1 31 32 1 31 35 1 33 36 1 34 36 1 35 36 1', 'C27H40O8', 492.292, 'C', 'tt96_9953_7', 4035, 'The geometry across the 7-8 bond was not determined', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16079, 'Briareolate ester H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C:9]3=[C:8]([C@@H:17]([CH3:18])[C:19](=O)O[CH3:19001])[CH:7]=[CH:6][C@@:5]([CH3:16])([CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]1([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@H:11]2[CH3:20])O3', '[H][C@@]12C3=C([C@@H](C)C(=O)OC)C=C[C@@](C)(CC[C@H](OC(=O)CCC)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@H]2C)O3', '[H][C@@:37]12[C:151]3=[C:118]([C@@H:38]([CH3:14])[C:175](=O)O[CH3:52])[CH:120]=[CH:130][C@@:75]([CH3:24])([CH2:35][CH2:29][C@H:78](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[C@@:46]1([CH3:15])[C@@H:74](O[C:170]([CH3:21])=O)[CH2:31][C@@H:73](O[C:170]([CH3:21])=O)[C@H:32]2[CH3:15])O3', '39 41 H 17.21 -13.27 C:2004 18.66 -4.76 C:19001 20.12 -18.06 C:12002 11.20 -13.00 C:14002 14.80 -6.70 C:18 17.58 -14.69 C:20 16.02 -14.35 C:16 23.26 -10.61 C:15 17.21 -9.49 O 12.42 -10.88 O 13.64 -8.83 O 20.27 -8.64 O 21.21 -15.49 C:7 20.90 -13.27 C:6 21.87 -12.28 C:2003 19.20 -6.05 C:2002 18.35 -7.17 C:3 19.52 -9.93 C:4 20.90 -9.93 C:13 14.87 -10.88 O 19.29 -16.94 O 13.64 -13.00 O 16.02 -8.83 O 18.02 -9.60 O 20.12 -11.27 C:12001 12.42 -12.28 C:14001 14.80 -8.11 C:2001 18.88 -8.47 C:19 19.82 -15.65 C:8 19.52 -13.27 C:9 18.57 -12.28 C:17 18.98 -14.52 C:11 16.02 -13.00 C:12 14.87 -12.28 C:2 18.57 -10.88 C:14 16.02 -10.22 C:5 21.87 -10.88 C:10 17.21 -12.28 C:1 17.21 -10.88 38 1 -2 2 16 1 3 21 1 4 26 1 5 27 1 32 6 -2 33 7 -2 37 8 -1 39 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 15 2 14 30 1 15 37 1 16 17 1 17 28 1 18 19 1 18 35 1 19 37 1 20 34 1 20 36 1 21 29 1 22 26 1 34 22 -2 23 27 1 36 23 -2 24 28 1 35 24 -1 25 31 1 25 37 1 29 32 1 30 31 2 30 32 1 31 38 1 33 34 1 33 38 1 35 39 1 36 39 1 38 39 1', '39 41 H 17.21 -13.27 C 18.66 -4.76 C 20.12 -18.06 C 11.20 -13.00 C 14.80 -6.70 C 17.58 -14.69 C 16.02 -14.35 C 23.26 -10.61 C 17.21 -9.49 O 12.42 -10.88 O 13.64 -8.83 O 20.27 -8.64 O 21.21 -15.49 C 20.90 -13.27 C 21.87 -12.28 C 19.20 -6.05 C 18.35 -7.17 C 19.52 -9.93 C 20.90 -9.93 C 14.87 -10.88 O 19.29 -16.94 O 13.64 -13.00 O 16.02 -8.83 O 18.02 -9.60 O 20.12 -11.27 C 12.42 -12.28 C 14.80 -8.11 C 18.88 -8.47 C 19.82 -15.65 C 19.52 -13.27 C 18.57 -12.28 C 18.98 -14.52 C 16.02 -13.00 C 14.87 -12.28 C 18.57 -10.88 C 16.02 -10.22 C 21.87 -10.88 C 17.21 -12.28 C 17.21 -10.88 38 1 -2 2 16 1 3 21 1 4 26 1 5 27 1 32 6 -2 33 7 -2 37 8 -1 39 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 15 2 14 30 1 15 37 1 16 17 1 17 28 1 18 19 1 18 35 1 19 37 1 20 34 1 20 36 1 21 29 1 22 26 1 34 22 -2 23 27 1 36 23 -2 24 28 1 35 24 -1 25 31 1 25 37 1 29 32 1 30 31 2 30 32 1 31 38 1 33 34 1 33 38 1 35 39 1 36 39 1 38 39 1', '39 41 H 17.21 -13.27 C:14 18.66 -4.76 C:52 20.12 -18.06 C:21 11.20 -13.00 C:21 14.80 -6.70 C:14 17.58 -14.69 C:15 16.02 -14.35 C:24 23.26 -10.61 C:15 17.21 -9.49 O 12.42 -10.88 O 13.64 -8.83 O 20.27 -8.64 O 21.21 -15.49 C:120 20.90 -13.27 C:130 21.87 -12.28 C:18 19.20 -6.05 C:36 18.35 -7.17 C:29 19.52 -9.93 C:35 20.90 -9.93 C:31 14.87 -10.88 O 19.29 -16.94 O 13.64 -13.00 O 16.02 -8.83 O 18.02 -9.60 O 20.12 -11.27 C:170 12.42 -12.28 C:170 14.80 -8.11 C:173 18.88 -8.47 C:175 19.82 -15.65 C:118 19.52 -13.27 C:151 18.57 -12.28 C:38 18.98 -14.52 C:32 16.02 -13.00 C:73 14.87 -12.28 C:78 18.57 -10.88 C:74 16.02 -10.22 C:75 21.87 -10.88 C:37 17.21 -12.28 C:46 17.21 -10.88 38 1 -2 2 16 1 3 21 1 4 26 1 5 27 1 32 6 -2 33 7 -2 37 8 -1 39 9 -1 10 26 2 11 27 2 12 28 2 13 29 2 14 15 2 14 30 1 15 37 1 16 17 1 17 28 1 18 19 1 18 35 1 19 37 1 20 34 1 20 36 1 21 29 1 22 26 1 34 22 -2 23 27 1 36 23 -2 24 28 1 35 24 -1 25 31 1 25 37 1 29 32 1 30 31 2 30 32 1 31 38 1 33 34 1 33 38 1 35 39 1 36 39 1 38 39 1', 'C29H42O9', 534.313, 'C', 'tt96_9953_8', 4035, '', 'Briareum asbestinum', '1', 45, NULL, NULL),
(16080, 'Briareolate ester I', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C:9](=O)[C@@:8]1([C@@H:17]([CH3:18])[C:19](=O)O[CH3:19001])O[C@@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[CH:14]=[CH:13][C:12](=O)[C@H:11]3[CH3:20]', '[H][C@@]23C(=O)[C@@]1([C@@H](C)C(=O)OC)O[C@@H]1C=C(C)CC[C@H](OC(=O)CCC)[C@@]2(C)C=CC(=O)[C@H]3C', '[H][C@@:50]23[C:207](=O)[C@@:69]1([C@@H:39]([CH3:13])[C:172](=O)O[CH3:52])O[C@@H:64]1[CH:115]=[C:146]([CH3:26])[CH2:33][CH2:30][C@H:82](O[C:173](=O)[CH2:36][CH2:19][CH3:14])[C@@:46]2([CH3:14])[CH:151]=[CH:127][C:199](=O)[C@H:41]3[CH3:13]', '33 35 H 16.89 -11.73 C:2004 18.75 -3.72 C:19001 21.48 -17.47 C:16 21.99 -10.21 C:20 15.01 -14.32 C:18 17.29 -16.11 C:15 16.19 -9.31 O 12.66 -12.98 O 19.33 -7.88 O 20.83 -14.81 O 16.19 -14.58 C:13 13.87 -10.86 C:14 15.01 -10.21 C:6 20.63 -12.26 C:2003 18.94 -5.11 C:2002 17.84 -5.97 C:4 19.81 -9.60 C:3 18.45 -9.19 O 20.13 -17.08 O 16.89 -8.23 O 19.56 -14.81 C:5 20.63 -10.76 C:12 13.87 -12.26 C:2001 18.03 -7.36 C:19 19.81 -15.72 C:9 16.98 -13.42 C:11 15.01 -12.98 C:17 18.45 -15.32 C:7 19.81 -13.42 C:2 17.11 -9.60 C:1 16.19 -10.86 C:10 16.19 -12.26 C:8 18.45 -13.93 32 1 -2 2 15 1 3 19 1 4 22 1 27 5 -2 28 6 -2 31 7 -1 8 23 2 9 24 2 10 25 2 11 26 2 12 13 2 12 23 1 13 31 1 14 22 2 14 29 1 15 16 1 16 24 1 17 18 1 17 22 1 18 30 1 19 25 1 20 24 1 30 20 -1 29 21 -1 33 21 -2 23 27 1 25 28 1 26 32 1 26 33 1 27 32 1 28 33 1 29 33 1 30 31 1 31 32 1', '33 35 H 16.89 -11.73 C 18.75 -3.72 C 21.48 -17.47 C 21.99 -10.21 C 15.01 -14.32 C 17.29 -16.11 C 16.19 -9.31 O 12.66 -12.98 O 19.33 -7.88 O 20.83 -14.81 O 16.19 -14.58 C 13.87 -10.86 C 15.01 -10.21 C 20.63 -12.26 C 18.94 -5.11 C 17.84 -5.97 C 19.81 -9.60 C 18.45 -9.19 O 20.13 -17.08 O 16.89 -8.23 O 19.56 -14.81 C 20.63 -10.76 C 13.87 -12.26 C 18.03 -7.36 C 19.81 -15.72 C 16.98 -13.42 C 15.01 -12.98 C 18.45 -15.32 C 19.81 -13.42 C 17.11 -9.60 C 16.19 -10.86 C 16.19 -12.26 C 18.45 -13.93 32 1 -2 2 15 1 3 19 1 4 22 1 27 5 -2 28 6 -2 31 7 -1 8 23 2 9 24 2 10 25 2 11 26 2 12 13 2 12 23 1 13 31 1 14 22 2 14 29 1 15 16 1 16 24 1 17 18 1 17 22 1 18 30 1 19 25 1 20 24 1 30 20 -1 29 21 -1 33 21 -2 23 27 1 25 28 1 26 32 1 26 33 1 27 32 1 28 33 1 29 33 1 30 31 1 31 32 1', '33 35 H 16.89 -11.73 C:14 18.75 -3.72 C:52 21.48 -17.47 C:26 21.99 -10.21 C:13 15.01 -14.32 C:13 17.29 -16.11 C:14 16.19 -9.31 O 12.66 -12.98 O 19.33 -7.88 O 20.83 -14.81 O 16.19 -14.58 C:127 13.87 -10.86 C:151 15.01 -10.21 C:115 20.63 -12.26 C:19 18.94 -5.11 C:36 17.84 -5.97 C:33 19.81 -9.60 C:30 18.45 -9.19 O 20.13 -17.08 O 16.89 -8.23 O 19.56 -14.81 C:146 20.63 -10.76 C:199 13.87 -12.26 C:173 18.03 -7.36 C:172 19.81 -15.72 C:207 16.98 -13.42 C:41 15.01 -12.98 C:39 18.45 -15.32 C:64 19.81 -13.42 C:82 17.11 -9.60 C:46 16.19 -10.86 C:50 16.19 -12.26 C:69 18.45 -13.93 32 1 -2 2 15 1 3 19 1 4 22 1 27 5 -2 28 6 -2 31 7 -1 8 23 2 9 24 2 10 25 2 11 26 2 12 13 2 12 23 1 13 31 1 14 22 2 14 29 1 15 16 1 16 24 1 17 18 1 17 22 1 18 30 1 19 25 1 20 24 1 30 20 -1 29 21 -1 33 21 -2 23 27 1 25 28 1 26 32 1 26 33 1 27 32 1 28 33 1 29 33 1 30 31 1 31 32 1', 'C25H34O7', 446.271, 'C', 'tt96_9953_9', 4035, '', 'briareum asbestinum', '1', 45, NULL, NULL),
(16081, 'Briareolide J', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C:17]([CH3:18])=[C:8]2[C@H:9]3O', '[H][C@]13C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(=O)CCC)CCC(C)=C[C@@H]2OC(=O)C(C)=C2[C@H]3O', '[H][C@:46]13[C:132]([CH3:22])=[CH:123][CH2:28][C@H:76](O[C:171]([CH3:21])=O)[C@:43]1([CH3:18])[C@@H:74](O[C:172](=O)[CH2:37][CH2:18][CH3:14])[CH2:26][CH2:30][C:145]([CH3:24])=[CH:122][C@@H:80]2O[C:174](=O)[C:127]([CH3:10])=[C:161]2[C@H:69]3O', '34 36 H 16.84 -12.86 C:2004 16.68 -4.63 C:14002 13.73 -7.86 C:16 21.94 -11.33 C:20 14.97 -15.45 C:18 17.24 -17.25 C:15 16.13 -10.43 O 12.51 -9.94 O 18.59 -8.31 O 20.23 -18.18 O 16.46 -15.88 C:12 13.84 -13.36 C:6 20.60 -13.36 C:2003 17.31 -5.88 C:2002 16.54 -7.07 C:4 19.78 -10.72 C:13 13.84 -12.02 C:3 18.40 -10.31 O 14.97 -9.94 O 20.60 -15.74 O 16.46 -9.48 C:14001 13.73 -9.25 C:5 20.60 -11.89 C:11 14.97 -14.03 C:17 18.40 -16.45 C:2001 17.18 -8.31 C:19 19.78 -16.85 C:8 18.40 -15.06 C:7 19.78 -14.61 C:9 16.93 -14.56 C:14 14.97 -11.33 C:2 17.06 -10.72 C:10 16.13 -13.36 C:1 16.13 -12.02 33 1 -2 2 14 1 3 22 1 4 23 1 5 24 1 6 25 1 34 7 -1 8 22 2 9 26 2 10 27 2 30 11 -1 12 17 1 12 24 2 13 23 2 13 29 1 14 15 1 15 26 1 16 18 1 16 23 1 17 31 1 18 32 1 19 22 1 31 19 -2 20 27 1 29 20 -2 21 26 1 32 21 -1 24 33 1 25 27 1 25 28 2 28 29 1 28 30 1 30 33 1 31 34 1 32 34 1 33 34 1', '34 36 H 16.84 -12.86 C 16.68 -4.63 C 13.73 -7.86 C 21.94 -11.33 C 14.97 -15.45 C 17.24 -17.25 C 16.13 -10.43 O 12.51 -9.94 O 18.59 -8.31 O 20.23 -18.18 O 16.46 -15.88 C 13.84 -13.36 C 20.60 -13.36 C 17.31 -5.88 C 16.54 -7.07 C 19.78 -10.72 C 13.84 -12.02 C 18.40 -10.31 O 14.97 -9.94 O 20.60 -15.74 O 16.46 -9.48 C 13.73 -9.25 C 20.60 -11.89 C 14.97 -14.03 C 18.40 -16.45 C 17.18 -8.31 C 19.78 -16.85 C 18.40 -15.06 C 19.78 -14.61 C 16.93 -14.56 C 14.97 -11.33 C 17.06 -10.72 C 16.13 -13.36 C 16.13 -12.02 33 1 -2 2 14 1 3 22 1 4 23 1 5 24 1 6 25 1 34 7 -1 8 22 2 9 26 2 10 27 2 30 11 -1 12 17 1 12 24 2 13 23 2 13 29 1 14 15 1 15 26 1 16 18 1 16 23 1 17 31 1 18 32 1 19 22 1 31 19 -2 20 27 1 29 20 -2 21 26 1 32 21 -1 24 33 1 25 27 1 25 28 2 28 29 1 28 30 1 30 33 1 31 34 1 32 34 1 33 34 1', '34 36 H 16.84 -12.86 C:14 16.68 -4.63 C:21 13.73 -7.86 C:24 21.94 -11.33 C:22 14.97 -15.45 C:10 17.24 -17.25 C:18 16.13 -10.43 O 12.51 -9.94 O 18.59 -8.31 O 20.23 -18.18 O 16.46 -15.88 C:123 13.84 -13.36 C:122 20.60 -13.36 C:18 17.31 -5.88 C:37 16.54 -7.07 C:30 19.78 -10.72 C:28 13.84 -12.02 C:26 18.40 -10.31 O 14.97 -9.94 O 20.60 -15.74 O 16.46 -9.48 C:171 13.73 -9.25 C:145 20.60 -11.89 C:132 14.97 -14.03 C:127 18.40 -16.45 C:172 17.18 -8.31 C:174 19.78 -16.85 C:161 18.40 -15.06 C:80 19.78 -14.61 C:69 16.93 -14.56 C:76 14.97 -11.33 C:74 17.06 -10.72 C:46 16.13 -13.36 C:43 16.13 -12.02 33 1 -2 2 14 1 3 22 1 4 23 1 5 24 1 6 25 1 34 7 -1 8 22 2 9 26 2 10 27 2 30 11 -1 12 17 1 12 24 2 13 23 2 13 29 1 14 15 1 15 26 1 16 18 1 16 23 1 17 31 1 18 32 1 19 22 1 31 19 -2 20 27 1 29 20 -2 21 26 1 32 21 -1 24 33 1 25 27 1 25 28 2 28 29 1 28 30 1 30 33 1 31 34 1 32 34 1 33 34 1', 'C26H36O7', 460.282, 'C', 'tt96_9953_10', 4035, '', '', '1', 45, NULL, NULL),
(16082, 'Briareolide K', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[CH2:3][CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@:8]2(O)[C:9]3=O', '[H][C@]13C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(=O)CCC)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@]2(O)C3=O', '[H][C@:51]13[C:130]([CH3:24])=[CH:122][CH2:26][C@H:72](O[C:170]([CH3:21])=O)[C@:47]1([CH3:15])[C@@H:73](O[C:173](=O)[CH2:36][CH2:18][CH3:14])[CH2:35][CH2:30][C:148]([CH3:27])=[CH:120][C@@H:84]2O[C:175](=O)[C@H:42]([CH3:8])[C@:87]2(O)[C:210]3=O', '35 37 H 16.87 -12.90 C:2004 16.71 -4.68 C:14002 13.76 -7.91 C:16 21.97 -11.38 C:20 15.00 -15.48 C:18 17.27 -17.28 C:15 16.16 -10.48 O 12.54 -9.99 O 18.62 -8.36 O 20.26 -18.21 O 15.98 -15.57 O 18.43 -13.69 C:12 13.87 -13.40 C:6 20.63 -13.40 C:2003 17.34 -5.93 C:2002 16.57 -7.12 C:4 19.81 -10.77 C:13 13.87 -12.06 C:3 18.43 -10.36 O 15.00 -9.99 O 16.45 -9.53 O 20.63 -15.77 C:14001 13.76 -9.30 C:5 20.63 -11.93 C:11 15.00 -14.07 C:2001 17.21 -8.36 C:19 19.81 -16.88 C:9 16.96 -14.59 C:17 18.43 -16.48 C:7 19.81 -14.59 C:14 15.00 -11.38 C:2 17.09 -10.77 C:10 16.16 -13.40 C:1 16.16 -12.06 C:8 18.43 -15.09 33 1 -2 2 15 1 3 23 1 4 24 1 5 25 1 29 6 -2 34 7 -1 8 23 2 9 26 2 10 27 2 11 28 2 35 12 -1 13 18 1 13 25 2 14 24 2 14 30 1 15 16 1 16 26 1 17 19 1 17 24 1 18 31 1 19 32 1 20 23 1 31 20 -2 21 26 1 32 21 -1 22 27 1 30 22 -2 25 33 1 27 29 1 28 33 1 28 35 1 29 35 1 30 35 1 31 34 1 32 34 1 33 34 1', '35 37 H 16.87 -12.90 C 16.71 -4.68 C 13.76 -7.91 C 21.97 -11.38 C 15.00 -15.48 C 17.27 -17.28 C 16.16 -10.48 O 12.54 -9.99 O 18.62 -8.36 O 20.26 -18.21 O 15.98 -15.57 O 18.43 -13.69 C 13.87 -13.40 C 20.63 -13.40 C 17.34 -5.93 C 16.57 -7.12 C 19.81 -10.77 C 13.87 -12.06 C 18.43 -10.36 O 15.00 -9.99 O 16.45 -9.53 O 20.63 -15.77 C 13.76 -9.30 C 20.63 -11.93 C 15.00 -14.07 C 17.21 -8.36 C 19.81 -16.88 C 16.96 -14.59 C 18.43 -16.48 C 19.81 -14.59 C 15.00 -11.38 C 17.09 -10.77 C 16.16 -13.40 C 16.16 -12.06 C 18.43 -15.09 33 1 -2 2 15 1 3 23 1 4 24 1 5 25 1 29 6 -2 34 7 -1 8 23 2 9 26 2 10 27 2 11 28 2 35 12 -1 13 18 1 13 25 2 14 24 2 14 30 1 15 16 1 16 26 1 17 19 1 17 24 1 18 31 1 19 32 1 20 23 1 31 20 -2 21 26 1 32 21 -1 22 27 1 30 22 -2 25 33 1 27 29 1 28 33 1 28 35 1 29 35 1 30 35 1 31 34 1 32 34 1 33 34 1', '35 37 H 16.87 -12.90 C:14 16.71 -4.68 C:21 13.76 -7.91 C:27 21.97 -11.38 C:24 15.00 -15.48 C:8 17.27 -17.28 C:15 16.16 -10.48 O 12.54 -9.99 O 18.62 -8.36 O 20.26 -18.21 O 15.98 -15.57 O 18.43 -13.69 C:122 13.87 -13.40 C:120 20.63 -13.40 C:18 17.34 -5.93 C:36 16.57 -7.12 C:30 19.81 -10.77 C:26 13.87 -12.06 C:35 18.43 -10.36 O 15.00 -9.99 O 16.45 -9.53 O 20.63 -15.77 C:170 13.76 -9.30 C:148 20.63 -11.93 C:130 15.00 -14.07 C:173 17.21 -8.36 C:175 19.81 -16.88 C:210 16.96 -14.59 C:42 18.43 -16.48 C:84 19.81 -14.59 C:72 15.00 -11.38 C:73 17.09 -10.77 C:51 16.16 -13.40 C:47 16.16 -12.06 C:87 18.43 -15.09 33 1 -2 2 15 1 3 23 1 4 24 1 5 25 1 29 6 -2 34 7 -1 8 23 2 9 26 2 10 27 2 11 28 2 35 12 -1 13 18 1 13 25 2 14 24 2 14 30 1 15 16 1 16 26 1 17 19 1 17 24 1 18 31 1 19 32 1 20 23 1 31 20 -2 21 26 1 32 21 -1 22 27 1 30 22 -2 25 33 1 27 29 1 28 33 1 28 35 1 29 35 1 30 35 1 31 34 1 32 34 1 33 34 1', 'C26H36O8', 476.281, 'C', 'tt96_9953_11', 4035, '', '', '1', 45, NULL, NULL),
(16083, 'Briantheins A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH:12]=[C:11]3[CH3:20]', '[H][C@@]23CC1=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)CC=C3C', '[H][C@@:38]23[CH2:29][C:160]1=[C:125]([CH3:10])[C:174](=O)O[C@H:81]1[CH:125]=[C:138]([CH3:27])[CH2:36][C@@H:69](O[C:171]([CH3:21])=O)[C@@H:73](O[C:171]([CH3:21])=O)[C@@:42]2([CH3:14])[C@@H:72](O[C:171]([CH3:20])=O)[CH2:26][CH:117]=[C:136]3[CH3:22]', '35 37 H 16.88 -11.79 C:3002 19.60 -5.72 C:14002 13.77 -6.79 C:2002 16.57 -5.99 C:16 21.98 -10.26 C:20 15.02 -14.38 C:18 17.28 -16.17 C:15 16.17 -9.36 O 20.81 -7.84 O 12.55 -8.87 O 18.61 -7.32 O 20.27 -17.10 C:12 13.88 -12.29 C:6 20.64 -12.29 C:13 13.88 -10.95 C:4 19.82 -9.65 C:9 16.97 -13.49 O 18.44 -7.84 O 15.02 -8.87 O 16.46 -8.41 O 20.64 -14.67 C:3001 19.60 -7.12 C:14001 13.77 -8.18 C:2001 17.21 -7.24 C:5 20.64 -10.82 C:11 15.02 -12.96 C:17 18.44 -15.38 C:19 19.82 -15.77 C:8 18.44 -13.99 C:7 19.82 -13.49 C:3 18.44 -9.24 C:14 15.02 -10.26 C:2 17.10 -9.65 C:10 16.17 -12.29 C:1 16.17 -10.95 34 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 9 22 2 10 23 2 11 24 2 12 28 2 13 15 1 13 26 2 14 25 2 14 30 1 15 32 1 16 25 1 16 31 1 17 29 1 17 34 1 18 22 1 31 18 -2 19 23 1 32 19 -2 20 24 1 33 20 -2 21 28 1 30 21 -2 26 34 1 27 28 1 27 29 2 29 30 1 31 33 1 32 35 1 33 35 1 34 35 1', '35 37 H 16.88 -11.79 C 19.60 -5.72 C 13.77 -6.79 C 16.57 -5.99 C 21.98 -10.26 C 15.02 -14.38 C 17.28 -16.17 C 16.17 -9.36 O 20.81 -7.84 O 12.55 -8.87 O 18.61 -7.32 O 20.27 -17.10 C 13.88 -12.29 C 20.64 -12.29 C 13.88 -10.95 C 19.82 -9.65 C 16.97 -13.49 O 18.44 -7.84 O 15.02 -8.87 O 16.46 -8.41 O 20.64 -14.67 C 19.60 -7.12 C 13.77 -8.18 C 17.21 -7.24 C 20.64 -10.82 C 15.02 -12.96 C 18.44 -15.38 C 19.82 -15.77 C 18.44 -13.99 C 19.82 -13.49 C 18.44 -9.24 C 15.02 -10.26 C 17.10 -9.65 C 16.17 -12.29 C 16.17 -10.95 34 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 9 22 2 10 23 2 11 24 2 12 28 2 13 15 1 13 26 2 14 25 2 14 30 1 15 32 1 16 25 1 16 31 1 17 29 1 17 34 1 18 22 1 31 18 -2 19 23 1 32 19 -2 20 24 1 33 20 -2 21 28 1 30 21 -2 26 34 1 27 28 1 27 29 2 29 30 1 31 33 1 32 35 1 33 35 1 34 35 1', '35 37 H 16.88 -11.79 C:21 19.60 -5.72 C:20 13.77 -6.79 C:21 16.57 -5.99 C:27 21.98 -10.26 C:22 15.02 -14.38 C:10 17.28 -16.17 C:14 16.17 -9.36 O 20.81 -7.84 O 12.55 -8.87 O 18.61 -7.32 O 20.27 -17.10 C:117 13.88 -12.29 C:125 20.64 -12.29 C:26 13.88 -10.95 C:36 19.82 -9.65 C:29 16.97 -13.49 O 18.44 -7.84 O 15.02 -8.87 O 16.46 -8.41 O 20.64 -14.67 C:171 19.60 -7.12 C:171 13.77 -8.18 C:171 17.21 -7.24 C:138 20.64 -10.82 C:136 15.02 -12.96 C:125 18.44 -15.38 C:174 19.82 -15.77 C:160 18.44 -13.99 C:81 19.82 -13.49 C:69 18.44 -9.24 C:72 15.02 -10.26 C:73 17.10 -9.65 C:38 16.17 -12.29 C:42 16.17 -10.95 34 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 9 22 2 10 23 2 11 24 2 12 28 2 13 15 1 13 26 2 14 25 2 14 30 1 15 32 1 16 25 1 16 31 1 17 29 1 17 34 1 18 22 1 31 18 -2 19 23 1 32 19 -2 20 24 1 33 20 -2 21 28 1 30 21 -2 26 34 1 27 28 1 27 29 2 29 30 1 31 33 1 32 35 1 33 35 1 34 35 1', 'C26H34O8', 474.281, 'C', 'tt01_8951_1', 4036, '', '', '1', 45, NULL, NULL),
(16084, 'Briantheins B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@H:12](OO)[C:11]3=[CH2:20]', '[H][C@@]23CC1=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H](OO)C3=C', '[H][C@@:37]23[CH2:31][C:159]1=[C:126]([CH3:8])[C:174](=O)O[C@H:80]1[CH:128]=[C:145]([CH3:30])[CH2:36][C@@H:69](O[C:170]([CH3:21])=O)[C@@H:73](O[C:171]([CH3:20])=O)[C@@:42]2([CH3:13])[C@@H:71](O[C:170]([CH3:20])=O)[CH2:27][C@H:83](OO)[C:137]3=[CH2:116]', '37 39 H 17.40 -11.78 C:20 15.53 -14.38 C:3002 20.11 -5.73 C:14002 14.28 -6.80 C:2002 17.09 -6.00 C:16 22.49 -10.26 C:18 17.80 -16.18 C:15 16.69 -9.36 O 21.32 -7.84 O 13.06 -8.87 O 19.12 -7.33 O 20.78 -17.11 O 11.96 -12.30 C:6 21.15 -12.30 C:4 20.33 -9.65 C:9 17.49 -13.49 C:13 14.39 -10.95 O 13.19 -13.00 O 18.95 -7.84 O 15.53 -8.87 O 16.98 -8.41 O 21.15 -14.67 C:3001 20.11 -7.13 C:14001 14.28 -8.18 C:2001 17.73 -7.25 C:5 21.15 -10.82 C:17 18.95 -15.38 C:11 15.53 -13.00 C:19 20.33 -15.77 C:8 18.95 -13.99 C:7 20.33 -13.49 C:12 14.39 -12.30 C:3 18.95 -9.24 C:14 15.53 -10.26 C:2 17.62 -9.65 C:10 16.69 -12.30 C:1 16.69 -10.95 36 1 -2 2 28 2 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 37 8 -1 9 23 2 10 24 2 11 25 2 12 29 2 13 18 1 14 26 2 14 31 1 15 26 1 15 33 1 16 30 1 16 36 1 17 32 1 17 34 1 32 18 -1 19 23 1 33 19 -2 20 24 1 34 20 -2 21 25 1 35 21 -2 22 29 1 31 22 -2 27 29 1 27 30 2 28 32 1 28 36 1 30 31 1 33 35 1 34 37 1 35 37 1 36 37 1', '37 39 H 17.40 -11.78 C 15.53 -14.38 C 20.11 -5.73 C 14.28 -6.80 C 17.09 -6.00 C 22.49 -10.26 C 17.80 -16.18 C 16.69 -9.36 O 21.32 -7.84 O 13.06 -8.87 O 19.12 -7.33 O 20.78 -17.11 O 11.96 -12.30 C 21.15 -12.30 C 20.33 -9.65 C 17.49 -13.49 C 14.39 -10.95 O 13.19 -13.00 O 18.95 -7.84 O 15.53 -8.87 O 16.98 -8.41 O 21.15 -14.67 C 20.11 -7.13 C 14.28 -8.18 C 17.73 -7.25 C 21.15 -10.82 C 18.95 -15.38 C 15.53 -13.00 C 20.33 -15.77 C 18.95 -13.99 C 20.33 -13.49 C 14.39 -12.30 C 18.95 -9.24 C 15.53 -10.26 C 17.62 -9.65 C 16.69 -12.30 C 16.69 -10.95 36 1 -2 2 28 2 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 37 8 -1 9 23 2 10 24 2 11 25 2 12 29 2 13 18 1 14 26 2 14 31 1 15 26 1 15 33 1 16 30 1 16 36 1 17 32 1 17 34 1 32 18 -1 19 23 1 33 19 -2 20 24 1 34 20 -2 21 25 1 35 21 -2 22 29 1 31 22 -2 27 29 1 27 30 2 28 32 1 28 36 1 30 31 1 33 35 1 34 37 1 35 37 1 36 37 1', '37 39 H 17.40 -11.78 C:116 15.53 -14.38 C:21 20.11 -5.73 C:20 14.28 -6.80 C:20 17.09 -6.00 C:30 22.49 -10.26 C:8 17.80 -16.18 C:13 16.69 -9.36 O 21.32 -7.84 O 13.06 -8.87 O 19.12 -7.33 O 20.78 -17.11 O 11.96 -12.30 C:128 21.15 -12.30 C:36 20.33 -9.65 C:31 17.49 -13.49 C:27 14.39 -10.95 O 13.19 -13.00 O 18.95 -7.84 O 15.53 -8.87 O 16.98 -8.41 O 21.15 -14.67 C:170 20.11 -7.13 C:170 14.28 -8.18 C:171 17.73 -7.25 C:145 21.15 -10.82 C:126 18.95 -15.38 C:137 15.53 -13.00 C:174 20.33 -15.77 C:159 18.95 -13.99 C:80 20.33 -13.49 C:83 14.39 -12.30 C:69 18.95 -9.24 C:71 15.53 -10.26 C:73 17.62 -9.65 C:37 16.69 -12.30 C:42 16.69 -10.95 36 1 -2 2 28 2 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 37 8 -1 9 23 2 10 24 2 11 25 2 12 29 2 13 18 1 14 26 2 14 31 1 15 26 1 15 33 1 16 30 1 16 36 1 17 32 1 17 34 1 32 18 -1 19 23 1 33 19 -2 20 24 1 34 20 -2 21 25 1 35 21 -2 22 29 1 31 22 -2 27 29 1 27 30 2 28 32 1 28 36 1 30 31 1 33 35 1 34 37 1 35 37 1 36 37 1', 'C26H34O10', 506.28, 'C', 'tt01_8951_8', 4036, '', '', '1', 45, NULL, NULL),
(16085, 'Briantheins C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]35[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@H:2](O)[C@@:1]3([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12]4O[C@@:11]45[CH3:20]', '[H][C@@]35[C@@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)C[C@@H](OC(C)=O)[C@@H](O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]4O[C@@]45C', '[H][C@@:43]35[C@@H:70](O[C:168]([CH3:21])=O)[C@:71]12O[C@:64]1([CH3:10])[C:171](=O)O[C@H:74]2[CH:121]=[C:140]([CH3:27])[CH2:35][C@@H:72](O[C:169]([CH3:21])=O)[C@@H:73](O)[C@@:47]3([CH3:14])[C@@H:75](O[C:170]([CH3:21])=O)[CH2:25][C@@H:61]4O[C@@:62]45[CH3:25]', '38 42 H 16.84 -11.78 C:3002 19.55 -5.73 C:14002 13.77 -6.80 C:9002 13.63 -15.18 C:16 21.94 -10.27 C:18 17.24 -16.18 C:20 14.99 -14.38 C:15 16.13 -9.37 O 20.76 -7.85 O 12.50 -8.88 O 15.38 -16.86 O 20.22 -17.11 O 16.42 -8.42 C:6 20.59 -12.30 C:4 19.77 -9.66 C:13 13.83 -10.95 O 18.39 -7.85 O 14.99 -8.88 O 15.96 -14.50 O 20.59 -14.69 O 13.77 -13.68 O 19.60 -14.69 C:3001 19.55 -7.13 C:14001 13.77 -8.19 C:9001 14.99 -15.51 C:5 20.59 -10.82 C:19 19.77 -15.77 C:2 17.06 -9.66 C:3 18.39 -9.25 C:7 19.77 -13.49 C:14 14.99 -10.27 C:12 13.83 -12.30 C:9 16.93 -13.49 C:17 18.39 -15.38 C:11 14.99 -13.00 C:10 16.13 -12.30 C:1 16.13 -10.95 C:8 18.39 -13.99 36 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 34 6 -1 35 7 -2 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 28 13 -2 14 26 2 14 30 1 15 26 1 15 29 1 16 31 1 16 32 1 17 23 1 29 17 -2 18 24 1 31 18 -2 19 25 1 33 19 -2 20 27 1 30 20 -2 32 21 -1 21 35 1 22 34 1 38 22 -2 27 34 1 28 29 1 28 37 1 30 38 1 31 37 1 32 35 1 33 36 1 33 38 1 34 38 1 35 36 1 36 37 1', '38 42 H 16.84 -11.78 C 19.55 -5.73 C 13.77 -6.80 C 13.63 -15.18 C 21.94 -10.27 C 17.24 -16.18 C 14.99 -14.38 C 16.13 -9.37 O 20.76 -7.85 O 12.50 -8.88 O 15.38 -16.86 O 20.22 -17.11 O 16.42 -8.42 C 20.59 -12.30 C 19.77 -9.66 C 13.83 -10.95 O 18.39 -7.85 O 14.99 -8.88 O 15.96 -14.50 O 20.59 -14.69 O 13.77 -13.68 O 19.60 -14.69 C 19.55 -7.13 C 13.77 -8.19 C 14.99 -15.51 C 20.59 -10.82 C 19.77 -15.77 C 17.06 -9.66 C 18.39 -9.25 C 19.77 -13.49 C 14.99 -10.27 C 13.83 -12.30 C 16.93 -13.49 C 18.39 -15.38 C 14.99 -13.00 C 16.13 -12.30 C 16.13 -10.95 C 18.39 -13.99 36 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 34 6 -1 35 7 -2 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 28 13 -2 14 26 2 14 30 1 15 26 1 15 29 1 16 31 1 16 32 1 17 23 1 29 17 -2 18 24 1 31 18 -2 19 25 1 33 19 -2 20 27 1 30 20 -2 32 21 -1 21 35 1 22 34 1 38 22 -2 27 34 1 28 29 1 28 37 1 30 38 1 31 37 1 32 35 1 33 36 1 33 38 1 34 38 1 35 36 1 36 37 1', '38 42 H 16.84 -11.78 C:21 19.55 -5.73 C:21 13.77 -6.80 C:21 13.63 -15.18 C:27 21.94 -10.27 C:10 17.24 -16.18 C:25 14.99 -14.38 C:14 16.13 -9.37 O 20.76 -7.85 O 12.50 -8.88 O 15.38 -16.86 O 20.22 -17.11 O 16.42 -8.42 C:121 20.59 -12.30 C:35 19.77 -9.66 C:25 13.83 -10.95 O 18.39 -7.85 O 14.99 -8.88 O 15.96 -14.50 O 20.59 -14.69 O 13.77 -13.68 O 19.60 -14.69 C:169 19.55 -7.13 C:170 13.77 -8.19 C:168 14.99 -15.51 C:140 20.59 -10.82 C:171 19.77 -15.77 C:73 17.06 -9.66 C:72 18.39 -9.25 C:74 19.77 -13.49 C:75 14.99 -10.27 C:61 13.83 -12.30 C:70 16.93 -13.49 C:64 18.39 -15.38 C:62 14.99 -13.00 C:43 16.13 -12.30 C:47 16.13 -10.95 C:71 18.39 -13.99 36 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 34 6 -1 35 7 -2 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 28 13 -2 14 26 2 14 30 1 15 26 1 15 29 1 16 31 1 16 32 1 17 23 1 29 17 -2 18 24 1 31 18 -2 19 25 1 33 19 -2 20 27 1 30 20 -2 32 21 -1 21 35 1 22 34 1 38 22 -2 27 34 1 28 29 1 28 37 1 30 38 1 31 37 1 32 35 1 33 36 1 33 38 1 34 38 1 35 36 1 36 37 1', 'C26H34O11', 522.28, 'C', 'tt01_8951_9', 4036, '', '', '1', 45, 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
(16086, 'Violide N', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH2:16]O)[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(CO)[C@H](OC(=O)CCCCCCC)C[C@H](OC(C)=O)[C@@]3(C)C=C[C@@H](O)[C@@]4(C)O', '[H][C@@:43]34[C@H:66](O[C:171]([CH3:22])=O)[C@:71]12O[C@:64]1([CH3:10])[C:171](=O)O[C@H:73]2[CH:124]=[C:146]([CH2:66]O)[C@H:70](O[C:173](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:23][CH3:14])[CH2:38][C@H:78](O[C:168]([CH3:21])=O)[C@@:47]3([CH3:15])[CH:139]=[CH:125][C@@H:70](O)[C@@:74]4([CH3:21])O', '45 48 H 12.18 -12.01 C:4008 24.25 -3.82 C:2002 12.03 -6.19 C:9002 11.54 -17.34 C:20 10.31 -14.59 C:15 11.47 -9.58 C:18 12.58 -16.40 O 14.02 -7.59 O 9.46 -16.13 O 18.03 -9.94 O 15.56 -17.34 O 18.38 -11.33 O 7.96 -13.21 O 9.09 -13.87 C:13 9.17 -11.17 C:14 10.31 -10.48 C:6 15.93 -12.50 C:4007 23.58 -5.04 C:16 17.27 -10.48 C:4006 22.18 -5.04 C:4005 21.49 -6.28 C:4004 20.09 -6.28 C:4003 19.40 -7.46 C:4002 18.03 -7.46 C:3 13.74 -9.46 O 15.93 -8.74 O 11.81 -8.60 O 11.54 -14.91 O 15.93 -14.91 O 14.95 -14.91 C:2001 12.58 -7.46 C:9001 10.86 -16.13 C:4001 17.32 -8.74 C:19 15.11 -16.00 C:5 15.93 -11.04 C:12 9.17 -12.50 C:4 15.11 -9.87 C:7 15.11 -13.74 C:2 12.40 -9.87 C:9 12.27 -13.69 C:11 10.31 -13.21 C:1 11.47 -11.17 C:17 13.74 -15.60 C:10 11.47 -12.50 C:8 13.74 -14.20 44 1 -2 2 18 1 3 31 1 4 32 1 41 5 -1 42 6 -1 43 7 -1 8 31 2 9 32 2 10 33 2 11 34 2 12 19 1 36 13 -2 41 14 -2 15 16 2 15 36 1 16 42 1 17 35 2 17 38 1 18 20 1 19 35 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 37 1 25 39 1 26 33 1 37 26 -1 27 31 1 39 27 -1 28 32 1 40 28 -1 29 34 1 38 29 -2 30 43 1 45 30 -2 34 43 1 35 37 1 36 41 1 38 45 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', '45 48 H 12.18 -12.01 C 24.25 -3.82 C 12.03 -6.19 C 11.54 -17.34 C 10.31 -14.59 C 11.47 -9.58 C 12.58 -16.40 O 14.02 -7.59 O 9.46 -16.13 O 18.03 -9.94 O 15.56 -17.34 O 18.38 -11.33 O 7.96 -13.21 O 9.09 -13.87 C 9.17 -11.17 C 10.31 -10.48 C 15.93 -12.50 C 23.58 -5.04 C 17.27 -10.48 C 22.18 -5.04 C 21.49 -6.28 C 20.09 -6.28 C 19.40 -7.46 C 18.03 -7.46 C 13.74 -9.46 O 15.93 -8.74 O 11.81 -8.60 O 11.54 -14.91 O 15.93 -14.91 O 14.95 -14.91 C 12.58 -7.46 C 10.86 -16.13 C 17.32 -8.74 C 15.11 -16.00 C 15.93 -11.04 C 9.17 -12.50 C 15.11 -9.87 C 15.11 -13.74 C 12.40 -9.87 C 12.27 -13.69 C 10.31 -13.21 C 11.47 -11.17 C 13.74 -15.60 C 11.47 -12.50 C 13.74 -14.20 44 1 -2 2 18 1 3 31 1 4 32 1 41 5 -1 42 6 -1 43 7 -1 8 31 2 9 32 2 10 33 2 11 34 2 12 19 1 36 13 -2 41 14 -2 15 16 2 15 36 1 16 42 1 17 35 2 17 38 1 18 20 1 19 35 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 37 1 25 39 1 26 33 1 37 26 -1 27 31 1 39 27 -1 28 32 1 40 28 -1 29 34 1 38 29 -2 30 43 1 45 30 -2 34 43 1 35 37 1 36 41 1 38 45 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', '45 48 H 12.18 -12.01 C:14 24.25 -3.82 C:21 12.03 -6.19 C:22 11.54 -17.34 C:21 10.31 -14.59 C:15 11.47 -9.58 C:10 12.58 -16.40 O 14.02 -7.59 O 9.46 -16.13 O 18.03 -9.94 O 15.56 -17.34 O 18.38 -11.33 O 7.96 -13.21 O 9.09 -13.87 C:125 9.17 -11.17 C:139 10.31 -10.48 C:124 15.93 -12.50 C:23 23.58 -5.04 C:66 17.27 -10.48 C:32 22.18 -5.04 C:29 21.49 -6.28 C:29 20.09 -6.28 C:25 19.40 -7.46 C:34 18.03 -7.46 C:38 13.74 -9.46 O 15.93 -8.74 O 11.81 -8.60 O 11.54 -14.91 O 15.93 -14.91 O 14.95 -14.91 C:168 12.58 -7.46 C:171 10.86 -16.13 C:173 17.32 -8.74 C:171 15.11 -16.00 C:146 15.93 -11.04 C:70 9.17 -12.50 C:70 15.11 -9.87 C:73 15.11 -13.74 C:78 12.40 -9.87 C:66 12.27 -13.69 C:74 10.31 -13.21 C:47 11.47 -11.17 C:64 13.74 -15.60 C:43 11.47 -12.50 C:71 13.74 -14.20 44 1 -2 2 18 1 3 31 1 4 32 1 41 5 -1 42 6 -1 43 7 -1 8 31 2 9 32 2 10 33 2 11 34 2 12 19 1 36 13 -2 41 14 -2 15 16 2 15 36 1 16 42 1 17 35 2 17 38 1 18 20 1 19 35 1 20 21 1 21 22 1 22 23 1 23 24 1 24 33 1 25 37 1 25 39 1 26 33 1 37 26 -1 27 31 1 39 27 -1 28 32 1 40 28 -1 29 34 1 38 29 -2 30 43 1 45 30 -2 34 43 1 35 37 1 36 41 1 38 45 1 39 42 1 40 44 1 40 45 1 41 44 1 42 44 1 43 45 1', 'C32H46O12', 622.343, 'C', 'hr53_1789_1', 4037, '', '', '1', 45, NULL, NULL),
(16087, 'Violide O', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001]([CH3:4002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](OC(C)=O)[C@@]2(C)O)OC(=O)[C@@]3(C)O', '[H][C@@:39]12[C@H:65](O[C:173]([CH3:21])=O)[C@@:79]3(O)[C@H:78]([CH:128]=[C:138]([CH3:26])[C@H:76](O[C:169]([CH3:21])=O)[C@H:71](O[C:172]([CH3:21])=O)[C@H:77](O[C:169]([CH3:21])=O)[C@@:47]1([CH3:16])[CH:142]=[CH:121][C@@H:72](O[C:170]([CH3:22])=O)[C@@:76]2([CH3:24])O)O[C:176](=O)[C@@:80]3([CH3:17])O', '46 48 H 16.54 -11.00 C:12002 9.90 -12.22 C:4002 22.39 -6.45 C:3002 19.01 -4.85 C:2002 16.39 -5.18 C:9002 15.90 -16.32 C:16 21.63 -9.47 C:18 16.95 -15.38 C:20 14.68 -13.57 C:15 15.83 -8.57 O 11.11 -10.11 O 22.39 -8.93 O 21.03 -6.18 O 18.39 -6.58 O 13.83 -15.11 O 19.92 -16.32 O 18.11 -15.98 O 13.46 -12.85 O 18.11 -11.79 C:13 13.54 -10.16 C:14 14.68 -9.47 C:6 20.29 -11.51 O 12.33 -12.22 O 20.29 -7.73 O 18.86 -7.27 O 20.29 -13.89 O 16.17 -7.59 O 15.90 -13.89 C:12001 11.11 -11.51 C:4001 21.68 -7.73 C:3001 19.63 -6.11 C:2001 16.95 -6.45 C:9001 15.23 -15.11 C:5 20.29 -10.03 C:19 19.47 -14.98 C:12 13.54 -11.51 C:7 19.47 -12.73 C:4 19.47 -8.86 C:3 18.11 -8.45 C:2 16.77 -8.86 C:9 16.64 -12.68 C:17 18.11 -14.58 C:11 14.68 -12.22 C:1 15.83 -10.16 C:10 15.83 -11.51 C:8 18.11 -13.18 45 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 42 8 -2 43 9 -1 44 10 -1 11 29 2 12 30 2 13 31 2 14 32 2 15 33 2 16 35 2 42 17 -1 43 18 -2 46 19 -2 20 21 2 20 36 1 21 44 1 22 34 2 22 37 1 23 29 1 36 23 -2 24 30 1 38 24 -1 25 31 1 39 25 -1 26 35 1 37 26 -2 27 32 1 40 27 -1 28 33 1 41 28 -1 34 38 1 35 42 1 36 43 1 37 46 1 38 39 1 39 40 1 40 44 1 41 45 1 41 46 1 42 46 1 43 45 1 44 45 1', '46 48 H 16.54 -11.00 C 9.90 -12.22 C 22.39 -6.45 C 19.01 -4.85 C 16.39 -5.18 C 15.90 -16.32 C 21.63 -9.47 C 16.95 -15.38 C 14.68 -13.57 C 15.83 -8.57 O 11.11 -10.11 O 22.39 -8.93 O 21.03 -6.18 O 18.39 -6.58 O 13.83 -15.11 O 19.92 -16.32 O 18.11 -15.98 O 13.46 -12.85 O 18.11 -11.79 C 13.54 -10.16 C 14.68 -9.47 C 20.29 -11.51 O 12.33 -12.22 O 20.29 -7.73 O 18.86 -7.27 O 20.29 -13.89 O 16.17 -7.59 O 15.90 -13.89 C 11.11 -11.51 C 21.68 -7.73 C 19.63 -6.11 C 16.95 -6.45 C 15.23 -15.11 C 20.29 -10.03 C 19.47 -14.98 C 13.54 -11.51 C 19.47 -12.73 C 19.47 -8.86 C 18.11 -8.45 C 16.77 -8.86 C 16.64 -12.68 C 18.11 -14.58 C 14.68 -12.22 C 15.83 -10.16 C 15.83 -11.51 C 18.11 -13.18 45 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 42 8 -2 43 9 -1 44 10 -1 11 29 2 12 30 2 13 31 2 14 32 2 15 33 2 16 35 2 42 17 -1 43 18 -2 46 19 -2 20 21 2 20 36 1 21 44 1 22 34 2 22 37 1 23 29 1 36 23 -2 24 30 1 38 24 -1 25 31 1 39 25 -1 26 35 1 37 26 -2 27 32 1 40 27 -1 28 33 1 41 28 -1 34 38 1 35 42 1 36 43 1 37 46 1 38 39 1 39 40 1 40 44 1 41 45 1 41 46 1 42 46 1 43 45 1 44 45 1', '46 48 H 16.54 -11.00 C:22 9.90 -12.22 C:21 22.39 -6.45 C:21 19.01 -4.85 C:21 16.39 -5.18 C:21 15.90 -16.32 C:26 21.63 -9.47 C:17 16.95 -15.38 C:24 14.68 -13.57 C:16 15.83 -8.57 O 11.11 -10.11 O 22.39 -8.93 O 21.03 -6.18 O 18.39 -6.58 O 13.83 -15.11 O 19.92 -16.32 O 18.11 -15.98 O 13.46 -12.85 O 18.11 -11.79 C:121 13.54 -10.16 C:142 14.68 -9.47 C:128 20.29 -11.51 O 12.33 -12.22 O 20.29 -7.73 O 18.86 -7.27 O 20.29 -13.89 O 16.17 -7.59 O 15.90 -13.89 C:170 11.11 -11.51 C:169 21.68 -7.73 C:172 19.63 -6.11 C:169 16.95 -6.45 C:173 15.23 -15.11 C:138 20.29 -10.03 C:176 19.47 -14.98 C:72 13.54 -11.51 C:78 19.47 -12.73 C:76 19.47 -8.86 C:71 18.11 -8.45 C:77 16.77 -8.86 C:65 16.64 -12.68 C:80 18.11 -14.58 C:76 14.68 -12.22 C:47 15.83 -10.16 C:39 15.83 -11.51 C:79 18.11 -13.18 45 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 42 8 -2 43 9 -1 44 10 -1 11 29 2 12 30 2 13 31 2 14 32 2 15 33 2 16 35 2 42 17 -1 43 18 -2 46 19 -2 20 21 2 20 36 1 21 44 1 22 34 2 22 37 1 23 29 1 36 23 -2 24 30 1 38 24 -1 25 31 1 39 25 -1 26 35 1 37 26 -2 27 32 1 40 27 -1 28 33 1 41 28 -1 34 38 1 35 42 1 36 43 1 37 46 1 38 39 1 39 40 1 40 44 1 41 45 1 41 46 1 42 46 1 43 45 1 44 45 1', 'C30H40O15', 640.32, 'C', 'hr53_1789_2', 4037, '', '', '1', 45, NULL, NULL),
(16088, 'Violide P', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]12[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]3(O)[C@H:7]([CH:6]=[C:5]([CH3:16])[CH2:4][C@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]2([CH3:20])O)O[C:19](=O)[C@@:17]3([CH3:18])O', '[H][C@@]12[C@H](OC(C)=O)[C@@]3(O)[C@H](C=C(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)C=C[C@@H](OC(C)=O)[C@@]2(C)O)OC(=O)[C@@]3(C)O', '[H][C@@:39]12[C@H:66](O[C:170]([CH3:21])=O)[C@@:79]3(O)[C@H:79]([CH:123]=[C:138]([CH3:27])[CH2:34][C@H:71](O[C:171]([CH3:21])=O)[C@H:78](O[C:170]([CH3:21])=O)[C@@:47]1([CH3:15])[CH:142]=[CH:121][C@@H:72](O[C:173]([CH3:22])=O)[C@@:76]2([CH3:24])O)O[C:176](=O)[C@@:80]3([CH3:17])O', '42 44 H 16.54 -11.00 C:3002 19.01 -4.85 C:12002 9.90 -12.22 C:2002 16.39 -5.18 C:9002 15.90 -16.32 C:16 21.63 -9.47 C:18 16.95 -15.38 C:20 14.68 -13.57 C:15 15.83 -8.57 O 21.03 -6.18 O 11.11 -10.11 O 18.39 -6.58 O 13.83 -15.11 O 19.92 -16.32 O 18.11 -15.98 O 13.46 -12.85 O 18.11 -11.79 C:13 13.54 -10.16 C:14 14.68 -9.47 C:6 20.29 -11.51 C:4 19.47 -8.86 O 18.86 -7.27 O 12.33 -12.22 O 16.17 -7.59 O 15.90 -13.89 O 20.29 -13.89 C:3001 19.63 -6.11 C:12001 11.11 -11.51 C:2001 16.95 -6.45 C:9001 15.23 -15.11 C:5 20.29 -10.03 C:19 19.47 -14.98 C:3 18.11 -8.45 C:12 13.54 -11.51 C:7 19.47 -12.73 C:2 16.77 -8.86 C:9 16.64 -12.68 C:17 18.11 -14.58 C:11 14.68 -12.22 C:1 15.83 -10.16 C:10 15.83 -11.51 C:8 18.11 -13.18 41 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 6 31 1 38 7 -2 39 8 -1 40 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 38 15 -1 39 16 -2 42 17 -2 18 19 2 18 34 1 19 40 1 20 31 2 20 35 1 21 31 1 21 33 1 22 27 1 33 22 -1 23 28 1 34 23 -2 24 29 1 36 24 -1 25 30 1 37 25 -1 26 32 1 35 26 -2 32 38 1 33 36 1 34 39 1 35 42 1 36 40 1 37 41 1 37 42 1 38 42 1 39 41 1 40 41 1', '42 44 H 16.54 -11.00 C 19.01 -4.85 C 9.90 -12.22 C 16.39 -5.18 C 15.90 -16.32 C 21.63 -9.47 C 16.95 -15.38 C 14.68 -13.57 C 15.83 -8.57 O 21.03 -6.18 O 11.11 -10.11 O 18.39 -6.58 O 13.83 -15.11 O 19.92 -16.32 O 18.11 -15.98 O 13.46 -12.85 O 18.11 -11.79 C 13.54 -10.16 C 14.68 -9.47 C 20.29 -11.51 C 19.47 -8.86 O 18.86 -7.27 O 12.33 -12.22 O 16.17 -7.59 O 15.90 -13.89 O 20.29 -13.89 C 19.63 -6.11 C 11.11 -11.51 C 16.95 -6.45 C 15.23 -15.11 C 20.29 -10.03 C 19.47 -14.98 C 18.11 -8.45 C 13.54 -11.51 C 19.47 -12.73 C 16.77 -8.86 C 16.64 -12.68 C 18.11 -14.58 C 14.68 -12.22 C 15.83 -10.16 C 15.83 -11.51 C 18.11 -13.18 41 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 6 31 1 38 7 -2 39 8 -1 40 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 38 15 -1 39 16 -2 42 17 -2 18 19 2 18 34 1 19 40 1 20 31 2 20 35 1 21 31 1 21 33 1 22 27 1 33 22 -1 23 28 1 34 23 -2 24 29 1 36 24 -1 25 30 1 37 25 -1 26 32 1 35 26 -2 32 38 1 33 36 1 34 39 1 35 42 1 36 40 1 37 41 1 37 42 1 38 42 1 39 41 1 40 41 1', '42 44 H 16.54 -11.00 C:21 19.01 -4.85 C:22 9.90 -12.22 C:21 16.39 -5.18 C:21 15.90 -16.32 C:27 21.63 -9.47 C:17 16.95 -15.38 C:24 14.68 -13.57 C:15 15.83 -8.57 O 21.03 -6.18 O 11.11 -10.11 O 18.39 -6.58 O 13.83 -15.11 O 19.92 -16.32 O 18.11 -15.98 O 13.46 -12.85 O 18.11 -11.79 C:121 13.54 -10.16 C:142 14.68 -9.47 C:123 20.29 -11.51 C:34 19.47 -8.86 O 18.86 -7.27 O 12.33 -12.22 O 16.17 -7.59 O 15.90 -13.89 O 20.29 -13.89 C:171 19.63 -6.11 C:173 11.11 -11.51 C:170 16.95 -6.45 C:170 15.23 -15.11 C:138 20.29 -10.03 C:176 19.47 -14.98 C:71 18.11 -8.45 C:72 13.54 -11.51 C:79 19.47 -12.73 C:78 16.77 -8.86 C:66 16.64 -12.68 C:80 18.11 -14.58 C:76 14.68 -12.22 C:47 15.83 -10.16 C:39 15.83 -11.51 C:79 18.11 -13.18 41 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 6 31 1 38 7 -2 39 8 -1 40 9 -1 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 38 15 -1 39 16 -2 42 17 -2 18 19 2 18 34 1 19 40 1 20 31 2 20 35 1 21 31 1 21 33 1 22 27 1 33 22 -1 23 28 1 34 23 -2 24 29 1 36 24 -1 25 30 1 37 25 -1 26 32 1 35 26 -2 32 38 1 33 36 1 34 39 1 35 42 1 36 40 1 37 41 1 37 42 1 38 42 1 39 41 1 40 41 1', 'C28H38O13', 582.3, 'C', 'hr53_1789_3', 4037, '', '', '1', 45, NULL, NULL),
(16089, 'Juncin N', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]12O[C@@H:4]([C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]1O[C:19](=O)[C@@H:17]2[CH3:18])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH2:12][C@:11]4(O)[C:20](=O)O', '[H][C@@]34[C@H](OC(C)=O)[C@@]12O[C@@H](C(=C)[C@H](Cl)[C@@H]1OC(=O)[C@@H]2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)CC[C@]4(O)C(=O)O', '[H][C@@:46]34[C@H:74](O[C:170]([CH3:20])=O)[C@@:83]12O[C@@H:78]([C:134](=[CH2:120])[C@H:54](Cl)[C@@H:79]1O[C:175](=O)[C@@H:49]2[CH3:9])[C@@H:64](O[C:170]([CH3:21])=O)[C@H:73](O[C:170]([CH3:21])=O)[C@@:48]3([CH3:16])[C@@H:73](O[C:170]([CH3:20])=O)[CH2:24][CH2:31][C@:78]4(O)[C:191](=O)O', '44 47 H 16.91 -11.69 C:16 21.77 -10.21 C:14002 13.88 -6.74 C:3002 19.59 -5.74 C:2002 15.04 -6.57 C:9002 15.53 -17.27 C:18 17.29 -15.85 C:15 16.24 -9.35 O 12.73 -8.85 O 20.79 -7.84 O 17.40 -5.94 O 14.34 -15.49 O 13.97 -14.89 O 20.12 -16.75 O 12.73 -12.79 O 15.12 -14.14 Cl 21.77 -12.63 C:13 14.10 -10.88 C:12 14.10 -12.16 O 15.12 -8.85 O 18.39 -7.84 O 16.78 -8.27 O 16.57 -14.74 O 20.47 -14.43 O 18.39 -11.75 C:14001 13.88 -8.12 C:3001 19.59 -7.14 C:2001 16.41 -6.93 C:9001 15.53 -15.86 C:20 13.97 -13.49 C:5 20.47 -10.74 C:19 19.69 -15.53 C:17 18.39 -15.10 C:6 20.47 -12.16 C:14 15.12 -10.21 C:4 19.69 -9.62 C:3 18.39 -9.24 C:7 19.69 -13.29 C:2 17.12 -9.62 C:9 17.00 -13.29 C:10 16.24 -12.16 C:1 16.24 -10.88 C:11 15.12 -12.80 C:8 18.39 -13.78 41 1 -2 2 31 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 42 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 15 30 1 43 16 -2 34 17 -2 18 19 1 18 35 1 19 43 1 20 26 1 35 20 -2 21 27 1 37 21 -2 22 28 1 39 22 -1 23 29 1 40 23 -1 24 32 1 38 24 -2 36 25 -2 44 25 -2 43 30 -1 31 34 1 31 36 1 32 33 1 33 44 1 34 38 1 35 42 1 36 37 1 37 39 1 38 44 1 39 42 1 40 41 1 40 44 1 41 42 1 41 43 1', '44 47 H 16.91 -11.69 C 21.77 -10.21 C 13.88 -6.74 C 19.59 -5.74 C 15.04 -6.57 C 15.53 -17.27 C 17.29 -15.85 C 16.24 -9.35 O 12.73 -8.85 O 20.79 -7.84 O 17.40 -5.94 O 14.34 -15.49 O 13.97 -14.89 O 20.12 -16.75 O 12.73 -12.79 O 15.12 -14.14 Cl 21.77 -12.63 C 14.10 -10.88 C 14.10 -12.16 O 15.12 -8.85 O 18.39 -7.84 O 16.78 -8.27 O 16.57 -14.74 O 20.47 -14.43 O 18.39 -11.75 C 13.88 -8.12 C 19.59 -7.14 C 16.41 -6.93 C 15.53 -15.86 C 13.97 -13.49 C 20.47 -10.74 C 19.69 -15.53 C 18.39 -15.10 C 20.47 -12.16 C 15.12 -10.21 C 19.69 -9.62 C 18.39 -9.24 C 19.69 -13.29 C 17.12 -9.62 C 17.00 -13.29 C 16.24 -12.16 C 16.24 -10.88 C 15.12 -12.80 C 18.39 -13.78 41 1 -2 2 31 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 42 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 15 30 1 43 16 -2 34 17 -2 18 19 1 18 35 1 19 43 1 20 26 1 35 20 -2 21 27 1 37 21 -2 22 28 1 39 22 -1 23 29 1 40 23 -1 24 32 1 38 24 -2 36 25 -2 44 25 -2 43 30 -1 31 34 1 31 36 1 32 33 1 33 44 1 34 38 1 35 42 1 36 37 1 37 39 1 38 44 1 39 42 1 40 41 1 40 44 1 41 42 1 41 43 1', '44 47 H 16.91 -11.69 C:120 21.77 -10.21 C:20 13.88 -6.74 C:21 19.59 -5.74 C:21 15.04 -6.57 C:20 15.53 -17.27 C:9 17.29 -15.85 C:16 16.24 -9.35 O 12.73 -8.85 O 20.79 -7.84 O 17.40 -5.94 O 14.34 -15.49 O 13.97 -14.89 O 20.12 -16.75 O 12.73 -12.79 O 15.12 -14.14 Cl 21.77 -12.63 C:24 14.10 -10.88 C:31 14.10 -12.16 O 15.12 -8.85 O 18.39 -7.84 O 16.78 -8.27 O 16.57 -14.74 O 20.47 -14.43 O 18.39 -11.75 C:170 13.88 -8.12 C:170 19.59 -7.14 C:170 16.41 -6.93 C:170 15.53 -15.86 C:191 13.97 -13.49 C:134 20.47 -10.74 C:175 19.69 -15.53 C:49 18.39 -15.10 C:54 20.47 -12.16 C:73 15.12 -10.21 C:78 19.69 -9.62 C:64 18.39 -9.24 C:79 19.69 -13.29 C:73 17.12 -9.62 C:74 17.00 -13.29 C:46 16.24 -12.16 C:48 16.24 -10.88 C:78 15.12 -12.80 C:83 18.39 -13.78 41 1 -2 2 31 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 42 8 -1 9 26 2 10 27 2 11 28 2 12 29 2 13 30 2 14 32 2 15 30 1 43 16 -2 34 17 -2 18 19 1 18 35 1 19 43 1 20 26 1 35 20 -2 21 27 1 37 21 -2 22 28 1 39 22 -1 23 29 1 40 23 -1 24 32 1 38 24 -2 36 25 -2 44 25 -2 43 30 -1 31 34 1 31 36 1 32 33 1 33 44 1 34 38 1 35 42 1 36 37 1 37 39 1 38 44 1 39 42 1 40 41 1 40 44 1 41 42 1 41 43 1', 'C28H35ClO14', 630.752, 'C', 'hr61_587_1', 4038, '', '', '1', 45, NULL, NULL),
(16090, 'Briaexcavatolide W', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[C@H:4](O)[CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[CH:14]=[CH:13][C@H:12](O[C:12001](=O)[CH2:12002][CH2:12003][CH3:12004])[C@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@]1(C)C(=O)O[C@H]2C=C(C)[C@H](O)C[C@H](OC(C)=O)[C@@]3(C)C=C[C@H](OC(=O)CCC)[C@]4(C)O', '[H][C@@:44]34[C@H:67](O[C:169]([CH3:21])=O)[C@:70]12O[C@:62]1([CH3:10])[C:171](=O)O[C@H:73]2[CH:122]=[C:148]([CH3:26])[C@H:71](O)[CH2:42][C@H:78](O[C:170]([CH3:22])=O)[C@@:46]3([CH3:18])[CH:142]=[CH:120][C@H:73](O[C:172](=O)[CH2:37][CH2:18][CH3:14])[C@:74]4([CH3:28])O', '40 43 H 18.13 -10.84 C:12004 9.06 -12.07 C:2002 17.99 -5.02 C:9002 17.52 -16.17 C:16 23.23 -9.31 C:20 16.26 -13.42 C:15 17.42 -8.41 C:18 18.53 -15.23 O 19.96 -6.42 O 15.43 -14.94 O 12.71 -9.97 O 21.51 -16.16 O 21.88 -7.57 O 15.05 -12.70 C:13 15.12 -10.00 C:14 16.26 -9.31 C:6 21.88 -11.33 C:12003 10.27 -11.37 C:12002 11.48 -12.07 C:3 19.69 -8.29 O 17.77 -7.43 O 17.53 -13.74 O 13.91 -12.07 O 21.88 -13.73 O 20.90 -13.73 C:2001 18.57 -6.29 C:9001 16.83 -14.95 C:5 21.88 -9.87 C:12001 12.70 -11.37 C:19 21.06 -14.83 C:4 21.06 -8.70 C:12 15.12 -11.33 C:7 21.06 -12.57 C:2 18.35 -8.70 C:9 18.22 -12.52 C:11 16.26 -12.00 C:1 17.42 -10.00 C:17 19.69 -14.43 C:10 17.42 -11.33 C:8 19.69 -13.03 39 1 -2 2 18 1 3 26 1 4 27 1 5 28 1 36 6 -2 37 7 -1 38 8 -1 9 26 2 10 27 2 11 29 2 12 30 2 31 13 -1 36 14 -1 15 16 2 15 32 1 16 37 1 17 28 2 17 33 1 18 19 1 19 29 1 20 31 1 20 34 1 21 26 1 34 21 -1 22 27 1 35 22 -1 23 29 1 32 23 -1 24 30 1 33 24 -2 25 38 1 40 25 -2 28 31 1 30 38 1 32 36 1 33 40 1 34 37 1 35 39 1 35 40 1 36 39 1 37 39 1 38 40 1', '40 43 H 18.13 -10.84 C 9.06 -12.07 C 17.99 -5.02 C 17.52 -16.17 C 23.23 -9.31 C 16.26 -13.42 C 17.42 -8.41 C 18.53 -15.23 O 19.96 -6.42 O 15.43 -14.94 O 12.71 -9.97 O 21.51 -16.16 O 21.88 -7.57 O 15.05 -12.70 C 15.12 -10.00 C 16.26 -9.31 C 21.88 -11.33 C 10.27 -11.37 C 11.48 -12.07 C 19.69 -8.29 O 17.77 -7.43 O 17.53 -13.74 O 13.91 -12.07 O 21.88 -13.73 O 20.90 -13.73 C 18.57 -6.29 C 16.83 -14.95 C 21.88 -9.87 C 12.70 -11.37 C 21.06 -14.83 C 21.06 -8.70 C 15.12 -11.33 C 21.06 -12.57 C 18.35 -8.70 C 18.22 -12.52 C 16.26 -12.00 C 17.42 -10.00 C 19.69 -14.43 C 17.42 -11.33 C 19.69 -13.03 39 1 -2 2 18 1 3 26 1 4 27 1 5 28 1 36 6 -2 37 7 -1 38 8 -1 9 26 2 10 27 2 11 29 2 12 30 2 31 13 -1 36 14 -1 15 16 2 15 32 1 16 37 1 17 28 2 17 33 1 18 19 1 19 29 1 20 31 1 20 34 1 21 26 1 34 21 -1 22 27 1 35 22 -1 23 29 1 32 23 -1 24 30 1 33 24 -2 25 38 1 40 25 -2 28 31 1 30 38 1 32 36 1 33 40 1 34 37 1 35 39 1 35 40 1 36 39 1 37 39 1 38 40 1', '40 43 H 18.13 -10.84 C:14 9.06 -12.07 C:22 17.99 -5.02 C:21 17.52 -16.17 C:26 23.23 -9.31 C:28 16.26 -13.42 C:18 17.42 -8.41 C:10 18.53 -15.23 O 19.96 -6.42 O 15.43 -14.94 O 12.71 -9.97 O 21.51 -16.16 O 21.88 -7.57 O 15.05 -12.70 C:120 15.12 -10.00 C:142 16.26 -9.31 C:122 21.88 -11.33 C:18 10.27 -11.37 C:37 11.48 -12.07 C:42 19.69 -8.29 O 17.77 -7.43 O 17.53 -13.74 O 13.91 -12.07 O 21.88 -13.73 O 20.90 -13.73 C:170 18.57 -6.29 C:169 16.83 -14.95 C:148 21.88 -9.87 C:172 12.70 -11.37 C:171 21.06 -14.83 C:71 21.06 -8.70 C:73 15.12 -11.33 C:73 21.06 -12.57 C:78 18.35 -8.70 C:67 18.22 -12.52 C:74 16.26 -12.00 C:46 17.42 -10.00 C:62 19.69 -14.43 C:44 17.42 -11.33 C:70 19.69 -13.03 39 1 -2 2 18 1 3 26 1 4 27 1 5 28 1 36 6 -2 37 7 -1 38 8 -1 9 26 2 10 27 2 11 29 2 12 30 2 31 13 -1 36 14 -1 15 16 2 15 32 1 16 37 1 17 28 2 17 33 1 18 19 1 19 29 1 20 31 1 20 34 1 21 26 1 34 21 -1 22 27 1 35 22 -1 23 29 1 32 23 -1 24 30 1 33 24 -2 25 38 1 40 25 -2 28 31 1 30 38 1 32 36 1 33 40 1 34 37 1 35 39 1 35 40 1 36 39 1 37 39 1 38 40 1', 'C28H38O11', 550.301, 'C', 'hr63_895_1', 4039, '', '', '1', 45, NULL, NULL),
(16091, 'Briviolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C@@H:11]([CH3:20])[C@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH2:16]O)=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13[C@@H](C)[C@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:33]13[C@@H:46]([CH3:16])[C@H:71](O)[CH2:27][C@H:77](O[C:172]([CH3:22])=O)[C@:46]1([CH3:15])[C@@H:77](O[C:169]([CH3:21])=O)[CH2:31][CH2:26][C:148]([CH2:68]O)=[CH:120][C@@H:78]2O[C:176](=O)[C@H:44]([CH3:7])[C@@:82]2(O)[C@H:75]3O[C:170]([CH3:22])=O', '38 40 H 15.20 -10.83 C:2002 16.35 -5.06 C:14002 12.12 -5.84 C:9002 14.48 -16.16 C:18 15.60 -15.24 C:20 13.35 -13.44 C:15 14.48 -8.41 O 17.63 -7.00 O 10.89 -7.95 O 12.41 -14.92 O 18.57 -16.16 O 21.38 -9.86 O 10.99 -12.04 O 16.77 -11.63 C:6 18.94 -11.33 C:16 20.16 -9.19 C:4 18.12 -8.70 C:3 16.77 -8.29 C:13 12.19 -9.99 O 15.20 -7.33 O 13.35 -7.95 O 14.58 -13.74 O 18.94 -13.74 C:2001 16.35 -6.46 C:14001 12.12 -7.24 C:9001 13.83 -14.92 C:5 18.94 -9.86 C:19 18.12 -14.84 C:17 16.77 -14.44 C:11 13.35 -12.04 C:12 12.19 -11.33 C:7 18.12 -12.51 C:2 15.42 -8.70 C:14 13.35 -9.31 C:9 15.29 -12.51 C:10 14.48 -11.33 C:1 14.48 -9.99 C:8 16.77 -13.03 36 1 -2 2 24 1 3 25 1 4 26 1 29 5 -2 30 6 -1 37 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 12 16 1 31 13 -2 38 14 -2 15 27 2 15 32 1 16 27 1 17 18 1 17 27 1 18 33 1 19 31 1 19 34 1 20 24 1 33 20 -1 21 25 1 34 21 -2 22 26 1 35 22 -1 23 28 1 32 23 -2 28 29 1 29 38 1 30 31 1 30 36 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 37 1', '38 40 H 15.20 -10.83 C 16.35 -5.06 C 12.12 -5.84 C 14.48 -16.16 C 15.60 -15.24 C 13.35 -13.44 C 14.48 -8.41 O 17.63 -7.00 O 10.89 -7.95 O 12.41 -14.92 O 18.57 -16.16 O 21.38 -9.86 O 10.99 -12.04 O 16.77 -11.63 C 18.94 -11.33 C 20.16 -9.19 C 18.12 -8.70 C 16.77 -8.29 C 12.19 -9.99 O 15.20 -7.33 O 13.35 -7.95 O 14.58 -13.74 O 18.94 -13.74 C 16.35 -6.46 C 12.12 -7.24 C 13.83 -14.92 C 18.94 -9.86 C 18.12 -14.84 C 16.77 -14.44 C 13.35 -12.04 C 12.19 -11.33 C 18.12 -12.51 C 15.42 -8.70 C 13.35 -9.31 C 15.29 -12.51 C 14.48 -11.33 C 14.48 -9.99 C 16.77 -13.03 36 1 -2 2 24 1 3 25 1 4 26 1 29 5 -2 30 6 -1 37 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 12 16 1 31 13 -2 38 14 -2 15 27 2 15 32 1 16 27 1 17 18 1 17 27 1 18 33 1 19 31 1 19 34 1 20 24 1 33 20 -1 21 25 1 34 21 -2 22 26 1 35 22 -1 23 28 1 32 23 -2 28 29 1 29 38 1 30 31 1 30 36 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 37 1', '38 40 H 15.20 -10.83 C:21 16.35 -5.06 C:22 12.12 -5.84 C:22 14.48 -16.16 C:7 15.60 -15.24 C:16 13.35 -13.44 C:15 14.48 -8.41 O 17.63 -7.00 O 10.89 -7.95 O 12.41 -14.92 O 18.57 -16.16 O 21.38 -9.86 O 10.99 -12.04 O 16.77 -11.63 C:120 18.94 -11.33 C:68 20.16 -9.19 C:26 18.12 -8.70 C:31 16.77 -8.29 C:27 12.19 -9.99 O 15.20 -7.33 O 13.35 -7.95 O 14.58 -13.74 O 18.94 -13.74 C:169 16.35 -6.46 C:172 12.12 -7.24 C:170 13.83 -14.92 C:148 18.94 -9.86 C:176 18.12 -14.84 C:44 16.77 -14.44 C:46 13.35 -12.04 C:71 12.19 -11.33 C:78 18.12 -12.51 C:77 15.42 -8.70 C:77 13.35 -9.31 C:75 15.29 -12.51 C:33 14.48 -11.33 C:46 14.48 -9.99 C:82 16.77 -13.03 36 1 -2 2 24 1 3 25 1 4 26 1 29 5 -2 30 6 -1 37 7 -1 8 24 2 9 25 2 10 26 2 11 28 2 12 16 1 31 13 -2 38 14 -2 15 27 2 15 32 1 16 27 1 17 18 1 17 27 1 18 33 1 19 31 1 19 34 1 20 24 1 33 20 -1 21 25 1 34 21 -2 22 26 1 35 22 -1 23 28 1 32 23 -2 28 29 1 29 38 1 30 31 1 30 36 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 37 1', 'C26H38O11', 526.28, 'C', 'hr65_2083_1', 4040, '', '', '1', 45, NULL, NULL),
(16092, 'Briviolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C@@H:11]([CH3:20])[C@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5]([CH2:16]Cl)=[CH:6][C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13[C@@H](C)[C@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(CCl)=C[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:33]13[C@@H:46]([CH3:16])[C@H:72](O)[CH2:27][C@H:77](O[C:171]([CH3:22])=O)[C@:46]1([CH3:15])[C@@H:77](O[C:169]([CH3:21])=O)[CH2:31][CH2:26][C:144]([CH2:51]Cl)=[CH:122][C@@H:78]2O[C:176](=O)[C@H:44]([CH3:7])[C@@:82]2(O)[C@H:75]3O[C:170]([CH3:22])=O', '38 40 H 15.20 -10.83 C:2002 16.35 -5.06 C:14002 12.12 -5.84 C:9002 14.48 -16.16 C:18 15.60 -15.24 C:20 13.35 -13.44 C:15 14.48 -8.41 O 17.63 -7.00 O 10.89 -7.95 O 12.41 -14.92 O 18.57 -16.16 O 10.99 -12.04 O 16.77 -11.63 Cl 21.38 -9.86 C:6 18.94 -11.33 C:16 20.16 -9.19 C:4 18.12 -8.70 C:3 16.77 -8.29 C:13 12.19 -9.99 O 15.20 -7.33 O 13.35 -7.95 O 18.94 -13.74 O 14.58 -13.74 C:2001 16.35 -6.46 C:14001 12.12 -7.24 C:9001 13.83 -14.92 C:19 18.12 -14.84 C:5 18.94 -9.86 C:17 16.77 -14.44 C:11 13.35 -12.04 C:12 12.19 -11.33 C:7 18.12 -12.51 C:2 15.42 -8.70 C:14 13.35 -9.31 C:9 15.29 -12.51 C:10 14.48 -11.33 C:1 14.48 -9.99 C:8 16.77 -13.03 36 1 -2 2 24 1 3 25 1 4 26 1 29 5 -2 30 6 -1 37 7 -1 8 24 2 9 25 2 10 26 2 11 27 2 31 12 -2 38 13 -2 14 16 1 15 28 2 15 32 1 16 28 1 17 18 1 17 28 1 18 33 1 19 31 1 19 34 1 20 24 1 33 20 -1 21 25 1 34 21 -2 22 27 1 32 22 -2 23 26 1 35 23 -1 27 29 1 29 38 1 30 31 1 30 36 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 37 1', '38 40 H 15.20 -10.83 C 16.35 -5.06 C 12.12 -5.84 C 14.48 -16.16 C 15.60 -15.24 C 13.35 -13.44 C 14.48 -8.41 O 17.63 -7.00 O 10.89 -7.95 O 12.41 -14.92 O 18.57 -16.16 O 10.99 -12.04 O 16.77 -11.63 Cl 21.38 -9.86 C 18.94 -11.33 C 20.16 -9.19 C 18.12 -8.70 C 16.77 -8.29 C 12.19 -9.99 O 15.20 -7.33 O 13.35 -7.95 O 18.94 -13.74 O 14.58 -13.74 C 16.35 -6.46 C 12.12 -7.24 C 13.83 -14.92 C 18.12 -14.84 C 18.94 -9.86 C 16.77 -14.44 C 13.35 -12.04 C 12.19 -11.33 C 18.12 -12.51 C 15.42 -8.70 C 13.35 -9.31 C 15.29 -12.51 C 14.48 -11.33 C 14.48 -9.99 C 16.77 -13.03 36 1 -2 2 24 1 3 25 1 4 26 1 29 5 -2 30 6 -1 37 7 -1 8 24 2 9 25 2 10 26 2 11 27 2 31 12 -2 38 13 -2 14 16 1 15 28 2 15 32 1 16 28 1 17 18 1 17 28 1 18 33 1 19 31 1 19 34 1 20 24 1 33 20 -1 21 25 1 34 21 -2 22 27 1 32 22 -2 23 26 1 35 23 -1 27 29 1 29 38 1 30 31 1 30 36 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 37 1', '38 40 H 15.20 -10.83 C:21 16.35 -5.06 C:22 12.12 -5.84 C:22 14.48 -16.16 C:7 15.60 -15.24 C:16 13.35 -13.44 C:15 14.48 -8.41 O 17.63 -7.00 O 10.89 -7.95 O 12.41 -14.92 O 18.57 -16.16 O 10.99 -12.04 O 16.77 -11.63 Cl 21.38 -9.86 C:122 18.94 -11.33 C:51 20.16 -9.19 C:26 18.12 -8.70 C:31 16.77 -8.29 C:27 12.19 -9.99 O 15.20 -7.33 O 13.35 -7.95 O 18.94 -13.74 O 14.58 -13.74 C:169 16.35 -6.46 C:171 12.12 -7.24 C:170 13.83 -14.92 C:176 18.12 -14.84 C:144 18.94 -9.86 C:44 16.77 -14.44 C:46 13.35 -12.04 C:72 12.19 -11.33 C:78 18.12 -12.51 C:77 15.42 -8.70 C:77 13.35 -9.31 C:75 15.29 -12.51 C:33 14.48 -11.33 C:46 14.48 -9.99 C:82 16.77 -13.03 36 1 -2 2 24 1 3 25 1 4 26 1 29 5 -2 30 6 -1 37 7 -1 8 24 2 9 25 2 10 26 2 11 27 2 31 12 -2 38 13 -2 14 16 1 15 28 2 15 32 1 16 28 1 17 18 1 17 28 1 18 33 1 19 31 1 19 34 1 20 24 1 33 20 -1 21 25 1 34 21 -2 22 27 1 32 22 -2 23 26 1 35 23 -1 27 29 1 29 38 1 30 31 1 30 36 1 32 38 1 33 37 1 34 37 1 35 36 1 35 38 1 36 37 1', 'C26H37ClO10', 544.733, 'C', 'hr65_2083_2', 4040, '', '', '1', 45, NULL, NULL),
(16093, 'Briviolide C', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]13[C@@H:11]([CH3:20])[C@H:12](O)[CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][CH2:4][C:5](=[CH2:16])[C@H:6](Cl)[C@@H:7]2O[C:19](=O)[C@H:17]([CH3:18])[C@@:8]2(O)[C@H:9]3O[C:9001]([CH3:9002])=O', '[H][C@]13[C@@H](C)[C@H](O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)CCC(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@H]3OC(C)=O', '[H][C@:33]13[C@@H:47]([CH3:15])[C@H:72](O)[CH2:28][C@H:76](O[C:171]([CH3:21])=O)[C@:46]1([CH3:16])[C@@H:75](O[C:170]([CH3:21])=O)[CH2:29][CH2:33][C:146](=[CH2:121])[C@H:56](Cl)[C@@H:81]2O[C:175](=O)[C@H:51]([CH3:7])[C@@:82]2(O)[C@H:84]3O[C:170]([CH3:21])=O', '38 40 H 15.76 -10.83 C:16 20.72 -9.19 C:2002 16.91 -5.06 C:14002 12.68 -5.84 C:9002 15.04 -16.16 C:18 16.16 -15.24 C:20 13.91 -13.44 C:15 15.04 -8.41 O 18.19 -7.00 O 11.45 -7.95 O 12.97 -14.92 O 19.13 -16.16 O 11.55 -12.04 O 17.33 -11.63 Cl 20.82 -11.80 C:4 18.68 -8.70 C:3 17.33 -8.29 C:13 12.75 -9.99 O 15.76 -7.33 O 13.91 -7.95 O 15.14 -13.74 O 19.50 -13.74 C:2001 16.91 -6.46 C:14001 12.68 -7.24 C:9001 14.39 -14.92 C:5 19.50 -9.86 C:19 18.68 -14.84 C:17 17.33 -14.44 C:11 13.91 -12.04 C:12 12.75 -11.33 C:6 19.50 -11.33 C:2 15.98 -8.70 C:14 13.91 -9.31 C:7 18.68 -12.51 C:9 15.85 -12.51 C:10 15.04 -11.33 C:1 15.04 -9.99 C:8 17.33 -13.03 36 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 28 6 -2 29 7 -1 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 30 13 -2 38 14 -2 31 15 -2 16 17 1 16 26 1 17 32 1 18 30 1 18 33 1 19 23 1 32 19 -1 20 24 1 33 20 -2 21 25 1 35 21 -1 22 27 1 34 22 -2 26 31 1 27 28 1 28 38 1 29 30 1 29 36 1 31 34 1 32 37 1 33 37 1 34 38 1 35 36 1 35 38 1 36 37 1', '38 40 H 15.76 -10.83 C 20.72 -9.19 C 16.91 -5.06 C 12.68 -5.84 C 15.04 -16.16 C 16.16 -15.24 C 13.91 -13.44 C 15.04 -8.41 O 18.19 -7.00 O 11.45 -7.95 O 12.97 -14.92 O 19.13 -16.16 O 11.55 -12.04 O 17.33 -11.63 Cl 20.82 -11.80 C 18.68 -8.70 C 17.33 -8.29 C 12.75 -9.99 O 15.76 -7.33 O 13.91 -7.95 O 15.14 -13.74 O 19.50 -13.74 C 16.91 -6.46 C 12.68 -7.24 C 14.39 -14.92 C 19.50 -9.86 C 18.68 -14.84 C 17.33 -14.44 C 13.91 -12.04 C 12.75 -11.33 C 19.50 -11.33 C 15.98 -8.70 C 13.91 -9.31 C 18.68 -12.51 C 15.85 -12.51 C 15.04 -11.33 C 15.04 -9.99 C 17.33 -13.03 36 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 28 6 -2 29 7 -1 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 30 13 -2 38 14 -2 31 15 -2 16 17 1 16 26 1 17 32 1 18 30 1 18 33 1 19 23 1 32 19 -1 20 24 1 33 20 -2 21 25 1 35 21 -1 22 27 1 34 22 -2 26 31 1 27 28 1 28 38 1 29 30 1 29 36 1 31 34 1 32 37 1 33 37 1 34 38 1 35 36 1 35 38 1 36 37 1', '38 40 H 15.76 -10.83 C:121 20.72 -9.19 C:21 16.91 -5.06 C:21 12.68 -5.84 C:21 15.04 -16.16 C:7 16.16 -15.24 C:15 13.91 -13.44 C:16 15.04 -8.41 O 18.19 -7.00 O 11.45 -7.95 O 12.97 -14.92 O 19.13 -16.16 O 11.55 -12.04 O 17.33 -11.63 Cl 20.82 -11.80 C:33 18.68 -8.70 C:29 17.33 -8.29 C:28 12.75 -9.99 O 15.76 -7.33 O 13.91 -7.95 O 15.14 -13.74 O 19.50 -13.74 C:170 16.91 -6.46 C:171 12.68 -7.24 C:170 14.39 -14.92 C:146 19.50 -9.86 C:175 18.68 -14.84 C:51 17.33 -14.44 C:47 13.91 -12.04 C:72 12.75 -11.33 C:56 19.50 -11.33 C:75 15.98 -8.70 C:76 13.91 -9.31 C:81 18.68 -12.51 C:84 15.85 -12.51 C:33 15.04 -11.33 C:46 15.04 -9.99 C:82 17.33 -13.03 36 1 -2 2 26 2 3 23 1 4 24 1 5 25 1 28 6 -2 29 7 -1 37 8 -1 9 23 2 10 24 2 11 25 2 12 27 2 30 13 -2 38 14 -2 31 15 -2 16 17 1 16 26 1 17 32 1 18 30 1 18 33 1 19 23 1 32 19 -1 20 24 1 33 20 -2 21 25 1 35 21 -1 22 27 1 34 22 -2 26 31 1 27 28 1 28 38 1 29 30 1 29 36 1 31 34 1 32 37 1 33 37 1 34 38 1 35 36 1 35 38 1 36 37 1', 'C26H37ClO10', 544.733, 'C', 'hr65_2083_3', 4040, '', '', '1', 45, NULL, NULL),
(16094, 'Briviolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]3([CH3:20])O', '[H][C@@]23[C@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)C=C[C@@H](O)[C@@]3(C)O', '[H][C@@:42]23[C@H:67](O[C:171]([CH3:21])=O)[C:157]1=[C:128]([CH3:10])[C:174](=O)O[C@H:79]1[CH:126]=[C:138]([CH3:27])[CH2:35][C@@H:71](O[C:170]([CH3:21])=O)[C@H:78](O[C:169]([CH3:21])=O)[C@@:46]2([CH3:16])[CH:141]=[CH:124][C@@H:70](O)[C@@:75]3([CH3:21])O', '37 39 H 15.76 -10.95 C:3002 18.54 -4.90 C:9002 15.04 -16.27 C:2002 14.45 -5.55 C:16 20.72 -9.31 C:18 16.16 -15.35 C:20 13.91 -13.55 C:15 15.04 -8.53 O 19.75 -7.01 O 12.97 -15.03 O 13.30 -7.75 O 19.13 -16.27 O 11.54 -12.15 O 12.72 -12.89 C:13 12.72 -10.11 C:14 13.91 -9.43 C:6 19.50 -11.44 C:4 18.68 -8.82 O 17.33 -7.01 O 15.14 -13.85 O 15.76 -7.45 O 19.50 -13.85 C:3001 18.54 -6.30 C:9001 14.39 -15.03 C:2001 14.45 -6.96 C:5 19.50 -9.98 C:17 17.33 -14.55 C:19 18.68 -14.95 C:8 17.33 -13.14 C:12 12.72 -11.44 C:7 18.68 -12.62 C:3 17.33 -8.41 C:9 15.85 -12.62 C:2 15.98 -8.82 C:11 13.91 -12.15 C:1 15.04 -10.11 C:10 15.04 -11.44 37 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 35 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 30 13 -2 35 14 -2 15 16 2 15 30 1 16 36 1 17 26 2 17 31 1 18 26 1 18 32 1 19 23 1 32 19 -2 20 24 1 33 20 -1 21 25 1 34 21 -1 22 28 1 31 22 -2 27 28 1 27 29 2 29 31 1 29 33 1 30 35 1 32 34 1 33 37 1 34 36 1 35 37 1 36 37 1', '37 39 H 15.76 -10.95 C 18.54 -4.90 C 15.04 -16.27 C 14.45 -5.55 C 20.72 -9.31 C 16.16 -15.35 C 13.91 -13.55 C 15.04 -8.53 O 19.75 -7.01 O 12.97 -15.03 O 13.30 -7.75 O 19.13 -16.27 O 11.54 -12.15 O 12.72 -12.89 C 12.72 -10.11 C 13.91 -9.43 C 19.50 -11.44 C 18.68 -8.82 O 17.33 -7.01 O 15.14 -13.85 O 15.76 -7.45 O 19.50 -13.85 C 18.54 -6.30 C 14.39 -15.03 C 14.45 -6.96 C 19.50 -9.98 C 17.33 -14.55 C 18.68 -14.95 C 17.33 -13.14 C 12.72 -11.44 C 18.68 -12.62 C 17.33 -8.41 C 15.85 -12.62 C 15.98 -8.82 C 13.91 -12.15 C 15.04 -10.11 C 15.04 -11.44 37 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 35 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 30 13 -2 35 14 -2 15 16 2 15 30 1 16 36 1 17 26 2 17 31 1 18 26 1 18 32 1 19 23 1 32 19 -2 20 24 1 33 20 -1 21 25 1 34 21 -1 22 28 1 31 22 -2 27 28 1 27 29 2 29 31 1 29 33 1 30 35 1 32 34 1 33 37 1 34 36 1 35 37 1 36 37 1', '37 39 H 15.76 -10.95 C:21 18.54 -4.90 C:21 15.04 -16.27 C:21 14.45 -5.55 C:27 20.72 -9.31 C:10 16.16 -15.35 C:21 13.91 -13.55 C:16 15.04 -8.53 O 19.75 -7.01 O 12.97 -15.03 O 13.30 -7.75 O 19.13 -16.27 O 11.54 -12.15 O 12.72 -12.89 C:124 12.72 -10.11 C:141 13.91 -9.43 C:126 19.50 -11.44 C:35 18.68 -8.82 O 17.33 -7.01 O 15.14 -13.85 O 15.76 -7.45 O 19.50 -13.85 C:170 18.54 -6.30 C:171 14.39 -15.03 C:169 14.45 -6.96 C:138 19.50 -9.98 C:128 17.33 -14.55 C:174 18.68 -14.95 C:157 17.33 -13.14 C:70 12.72 -11.44 C:79 18.68 -12.62 C:71 17.33 -8.41 C:67 15.85 -12.62 C:78 15.98 -8.82 C:75 13.91 -12.15 C:46 15.04 -10.11 C:42 15.04 -11.44 37 1 -2 2 23 1 3 24 1 4 25 1 5 26 1 6 27 1 35 7 -1 36 8 -1 9 23 2 10 24 2 11 25 2 12 28 2 30 13 -2 35 14 -2 15 16 2 15 30 1 16 36 1 17 26 2 17 31 1 18 26 1 18 32 1 19 23 1 32 19 -2 20 24 1 33 20 -1 21 25 1 34 21 -1 22 28 1 31 22 -2 27 28 1 27 29 2 29 31 1 29 33 1 30 35 1 32 34 1 33 37 1 34 36 1 35 37 1 36 37 1', 'C26H34O10', 506.28, 'C', 'hr65_2083_4', 4040, '', '', '1', 45, NULL, NULL),
(16095, '12-O-acetylBriviolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[CH:14]=[CH:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]3([CH3:20])O', '[H][C@@]23[C@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)C=C[C@@H](OC(C)=O)[C@@]3(C)O', '[H][C@@:42]23[C@H:66](O[C:170]([CH3:21])=O)[C:157]1=[C:128]([CH3:10])[C:174](=O)O[C@H:79]1[CH:126]=[C:138]([CH3:27])[CH2:35][C@@H:71](O[C:170]([CH3:21])=O)[C@H:78](O[C:169]([CH3:21])=O)[C@@:46]2([CH3:17])[CH:142]=[CH:122][C@@H:73](O[C:171]([CH3:21])=O)[C@@:74]3([CH3:21])O', '40 42 H 16.98 -10.93 C:3002 19.77 -4.90 C:12002 10.34 -12.18 C:9002 16.26 -16.25 C:2002 15.66 -5.54 C:16 21.94 -9.30 C:18 17.38 -15.33 C:20 15.12 -13.53 C:15 16.26 -8.52 O 20.98 -6.95 O 11.52 -10.06 O 14.18 -15.02 O 14.51 -7.74 O 20.36 -16.25 O 13.93 -12.87 C:13 13.93 -10.06 C:14 15.12 -9.42 C:6 20.73 -11.45 C:4 19.91 -8.81 O 18.55 -6.95 O 12.74 -12.18 O 16.36 -13.83 O 16.98 -7.44 O 20.73 -13.83 C:3001 19.77 -6.29 C:12001 11.52 -11.45 C:9001 15.60 -15.02 C:2001 15.66 -6.95 C:5 20.73 -9.97 C:17 18.55 -14.54 C:19 19.91 -14.94 C:8 18.55 -13.12 C:7 19.91 -12.60 C:3 18.55 -8.40 C:12 13.93 -11.45 C:9 17.07 -12.60 C:2 17.20 -8.81 C:11 15.12 -12.18 C:1 16.26 -10.06 C:10 16.26 -11.45 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 38 15 -2 16 17 2 16 35 1 17 39 1 18 29 2 18 33 1 19 29 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -1 24 31 1 33 24 -2 30 31 1 30 32 2 32 33 1 32 36 1 34 37 1 35 38 1 36 40 1 37 39 1 38 40 1 39 40 1', '40 42 H 16.98 -10.93 C 19.77 -4.90 C 10.34 -12.18 C 16.26 -16.25 C 15.66 -5.54 C 21.94 -9.30 C 17.38 -15.33 C 15.12 -13.53 C 16.26 -8.52 O 20.98 -6.95 O 11.52 -10.06 O 14.18 -15.02 O 14.51 -7.74 O 20.36 -16.25 O 13.93 -12.87 C 13.93 -10.06 C 15.12 -9.42 C 20.73 -11.45 C 19.91 -8.81 O 18.55 -6.95 O 12.74 -12.18 O 16.36 -13.83 O 16.98 -7.44 O 20.73 -13.83 C 19.77 -6.29 C 11.52 -11.45 C 15.60 -15.02 C 15.66 -6.95 C 20.73 -9.97 C 18.55 -14.54 C 19.91 -14.94 C 18.55 -13.12 C 19.91 -12.60 C 18.55 -8.40 C 13.93 -11.45 C 17.07 -12.60 C 17.20 -8.81 C 15.12 -12.18 C 16.26 -10.06 C 16.26 -11.45 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 38 15 -2 16 17 2 16 35 1 17 39 1 18 29 2 18 33 1 19 29 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -1 24 31 1 33 24 -2 30 31 1 30 32 2 32 33 1 32 36 1 34 37 1 35 38 1 36 40 1 37 39 1 38 40 1 39 40 1', '40 42 H 16.98 -10.93 C:21 19.77 -4.90 C:21 10.34 -12.18 C:21 16.26 -16.25 C:21 15.66 -5.54 C:27 21.94 -9.30 C:10 17.38 -15.33 C:21 15.12 -13.53 C:17 16.26 -8.52 O 20.98 -6.95 O 11.52 -10.06 O 14.18 -15.02 O 14.51 -7.74 O 20.36 -16.25 O 13.93 -12.87 C:122 13.93 -10.06 C:142 15.12 -9.42 C:126 20.73 -11.45 C:35 19.91 -8.81 O 18.55 -6.95 O 12.74 -12.18 O 16.36 -13.83 O 16.98 -7.44 O 20.73 -13.83 C:170 19.77 -6.29 C:171 11.52 -11.45 C:170 15.60 -15.02 C:169 15.66 -6.95 C:138 20.73 -9.97 C:128 18.55 -14.54 C:174 19.91 -14.94 C:157 18.55 -13.12 C:79 19.91 -12.60 C:71 18.55 -8.40 C:73 13.93 -11.45 C:66 17.07 -12.60 C:78 17.20 -8.81 C:74 15.12 -12.18 C:46 16.26 -10.06 C:42 16.26 -11.45 40 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 38 15 -2 16 17 2 16 35 1 17 39 1 18 29 2 18 33 1 19 29 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -2 22 27 1 36 22 -1 23 28 1 37 23 -1 24 31 1 33 24 -2 30 31 1 30 32 2 32 33 1 32 36 1 34 37 1 35 38 1 36 40 1 37 39 1 38 40 1 39 40 1', 'C28H36O11', 548.301, 'C', 'hr65_2083_5', 4040, 'signals interchanged with compound 6 in the paper', '', '1', 45, NULL, NULL),
(16096, '9-deacetoxyBriviolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]3([CH3:20])O', '[H][C@@]23CC1=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)C=C[C@@H](O)[C@@]3(C)O', '[H][C@@:39]23[CH2:25][C:161]1=[C:125]([CH3:9])[C:174](=O)O[C@H:80]1[CH:126]=[C:137]([CH3:27])[CH2:36][C@@H:69](O[C:171]([CH3:21])=O)[C@H:78](O[C:170]([CH3:21])=O)[C@@:43]2([CH3:14])[CH:138]=[CH:126][C@@H:71](O)[C@@:75]3([CH3:21])O', '33 35 H 15.69 -10.94 C:3002 18.52 -4.92 C:2002 14.38 -5.54 C:16 20.79 -9.47 C:18 16.09 -15.32 C:20 13.83 -13.51 C:15 14.96 -8.52 O 19.71 -7.06 O 13.23 -7.75 O 19.07 -16.23 O 11.49 -12.16 O 12.62 -12.82 C:13 12.69 -10.10 C:14 13.83 -9.42 C:6 19.44 -11.44 C:4 18.61 -8.81 C:9 15.78 -12.62 O 17.24 -6.95 O 15.69 -7.44 O 19.44 -13.81 C:3001 18.52 -6.33 C:2001 14.38 -6.95 C:5 19.44 -9.97 C:17 17.24 -14.51 C:19 18.61 -14.91 C:8 17.24 -13.13 C:12 12.69 -11.44 C:7 18.61 -12.62 C:3 17.24 -8.40 C:2 15.91 -8.81 C:11 13.83 -12.11 C:10 14.96 -11.44 C:1 14.96 -10.10 32 1 -2 2 21 1 3 22 1 4 23 1 5 24 1 31 6 -1 33 7 -1 8 21 2 9 22 2 10 25 2 27 11 -2 31 12 -2 13 14 2 13 27 1 14 33 1 15 23 2 15 28 1 16 23 1 16 29 1 17 26 1 17 32 1 18 21 1 29 18 -2 19 22 1 30 19 -1 20 25 1 28 20 -2 24 25 1 24 26 2 26 28 1 27 31 1 29 30 1 30 33 1 31 32 1 32 33 1', '33 35 H 15.69 -10.94 C 18.52 -4.92 C 14.38 -5.54 C 20.79 -9.47 C 16.09 -15.32 C 13.83 -13.51 C 14.96 -8.52 O 19.71 -7.06 O 13.23 -7.75 O 19.07 -16.23 O 11.49 -12.16 O 12.62 -12.82 C 12.69 -10.10 C 13.83 -9.42 C 19.44 -11.44 C 18.61 -8.81 C 15.78 -12.62 O 17.24 -6.95 O 15.69 -7.44 O 19.44 -13.81 C 18.52 -6.33 C 14.38 -6.95 C 19.44 -9.97 C 17.24 -14.51 C 18.61 -14.91 C 17.24 -13.13 C 12.69 -11.44 C 18.61 -12.62 C 17.24 -8.40 C 15.91 -8.81 C 13.83 -12.11 C 14.96 -11.44 C 14.96 -10.10 32 1 -2 2 21 1 3 22 1 4 23 1 5 24 1 31 6 -1 33 7 -1 8 21 2 9 22 2 10 25 2 27 11 -2 31 12 -2 13 14 2 13 27 1 14 33 1 15 23 2 15 28 1 16 23 1 16 29 1 17 26 1 17 32 1 18 21 1 29 18 -2 19 22 1 30 19 -1 20 25 1 28 20 -2 24 25 1 24 26 2 26 28 1 27 31 1 29 30 1 30 33 1 31 32 1 32 33 1', '33 35 H 15.69 -10.94 C:21 18.52 -4.92 C:21 14.38 -5.54 C:27 20.79 -9.47 C:9 16.09 -15.32 C:21 13.83 -13.51 C:14 14.96 -8.52 O 19.71 -7.06 O 13.23 -7.75 O 19.07 -16.23 O 11.49 -12.16 O 12.62 -12.82 C:126 12.69 -10.10 C:138 13.83 -9.42 C:126 19.44 -11.44 C:36 18.61 -8.81 C:25 15.78 -12.62 O 17.24 -6.95 O 15.69 -7.44 O 19.44 -13.81 C:171 18.52 -6.33 C:170 14.38 -6.95 C:137 19.44 -9.97 C:125 17.24 -14.51 C:174 18.61 -14.91 C:161 17.24 -13.13 C:71 12.69 -11.44 C:80 18.61 -12.62 C:69 17.24 -8.40 C:78 15.91 -8.81 C:75 13.83 -12.11 C:39 14.96 -11.44 C:43 14.96 -10.10 32 1 -2 2 21 1 3 22 1 4 23 1 5 24 1 31 6 -1 33 7 -1 8 21 2 9 22 2 10 25 2 27 11 -2 31 12 -2 13 14 2 13 27 1 14 33 1 15 23 2 15 28 1 16 23 1 16 29 1 17 26 1 17 32 1 18 21 1 29 18 -2 19 22 1 30 19 -1 20 25 1 28 20 -2 24 25 1 24 26 2 26 28 1 27 31 1 29 30 1 30 33 1 31 32 1 32 33 1', 'C24H32O8', 448.26, 'C', 'hr65_2083_6', 4040, 'signals interchanged with compound 5 in the paper', '', '1', 45, NULL, NULL),
(16097, '4-acetoxyBriviolide D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001]([CH3:4002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]3([CH3:20])O', '[H][C@@]23[C@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)C=C[C@@H](O)[C@@]3(C)O', '[H][C@@:41]23[C@H:66](O[C:170]([CH3:21])=O)[C:157]1=[C:128]([CH3:10])[C:174](=O)O[C@H:77]1[CH:130]=[C:138]([CH3:26])[C@H:77](O[C:170]([CH3:21])=O)[C@@H:71](O[C:170]([CH3:21])=O)[C@H:77](O[C:169]([CH3:20])=O)[C@@:46]2([CH3:17])[CH:141]=[CH:125][C@@H:70](O)[C@@:75]3([CH3:22])O', '41 43 H 15.29 -10.95 C:4002 21.15 -6.46 C:3002 18.08 -4.85 C:9002 14.78 -16.28 C:2002 13.98 -5.54 C:16 20.41 -9.48 C:18 15.69 -15.32 C:20 13.43 -13.51 C:15 14.56 -8.53 O 21.15 -8.89 O 19.29 -6.95 O 12.66 -15.05 O 12.83 -7.76 O 18.69 -16.23 O 11.10 -12.16 O 12.22 -12.82 C:13 12.29 -10.11 C:14 13.43 -9.43 C:6 19.06 -11.44 O 19.06 -7.68 O 16.84 -6.95 O 14.78 -13.86 O 15.29 -7.45 O 19.06 -13.86 C:4001 20.41 -7.68 C:3001 18.08 -6.25 C:9001 14.06 -15.05 C:2001 13.98 -6.95 C:5 19.06 -9.98 C:17 16.84 -14.51 C:19 18.23 -14.91 C:8 16.84 -13.13 C:12 12.29 -11.44 C:7 18.23 -12.62 C:4 18.23 -8.82 C:3 16.84 -8.41 C:9 15.38 -12.62 C:2 15.51 -8.82 C:11 13.43 -12.11 C:1 14.56 -10.11 C:10 14.56 -11.44 41 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 39 8 -1 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 33 15 -2 39 16 -2 17 18 2 17 33 1 18 40 1 19 29 2 19 34 1 20 25 1 35 20 -1 21 26 1 36 21 -2 22 27 1 37 22 -1 23 28 1 38 23 -1 24 31 1 34 24 -2 29 35 1 30 31 1 30 32 2 32 34 1 32 37 1 33 39 1 35 36 1 36 38 1 37 41 1 38 40 1 39 41 1 40 41 1', '41 43 H 15.29 -10.95 C 21.15 -6.46 C 18.08 -4.85 C 14.78 -16.28 C 13.98 -5.54 C 20.41 -9.48 C 15.69 -15.32 C 13.43 -13.51 C 14.56 -8.53 O 21.15 -8.89 O 19.29 -6.95 O 12.66 -15.05 O 12.83 -7.76 O 18.69 -16.23 O 11.10 -12.16 O 12.22 -12.82 C 12.29 -10.11 C 13.43 -9.43 C 19.06 -11.44 O 19.06 -7.68 O 16.84 -6.95 O 14.78 -13.86 O 15.29 -7.45 O 19.06 -13.86 C 20.41 -7.68 C 18.08 -6.25 C 14.06 -15.05 C 13.98 -6.95 C 19.06 -9.98 C 16.84 -14.51 C 18.23 -14.91 C 16.84 -13.13 C 12.29 -11.44 C 18.23 -12.62 C 18.23 -8.82 C 16.84 -8.41 C 15.38 -12.62 C 15.51 -8.82 C 13.43 -12.11 C 14.56 -10.11 C 14.56 -11.44 41 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 39 8 -1 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 33 15 -2 39 16 -2 17 18 2 17 33 1 18 40 1 19 29 2 19 34 1 20 25 1 35 20 -1 21 26 1 36 21 -2 22 27 1 37 22 -1 23 28 1 38 23 -1 24 31 1 34 24 -2 29 35 1 30 31 1 30 32 2 32 34 1 32 37 1 33 39 1 35 36 1 36 38 1 37 41 1 38 40 1 39 41 1 40 41 1', '41 43 H 15.29 -10.95 C:21 21.15 -6.46 C:21 18.08 -4.85 C:21 14.78 -16.28 C:20 13.98 -5.54 C:26 20.41 -9.48 C:10 15.69 -15.32 C:22 13.43 -13.51 C:17 14.56 -8.53 O 21.15 -8.89 O 19.29 -6.95 O 12.66 -15.05 O 12.83 -7.76 O 18.69 -16.23 O 11.10 -12.16 O 12.22 -12.82 C:125 12.29 -10.11 C:141 13.43 -9.43 C:130 19.06 -11.44 O 19.06 -7.68 O 16.84 -6.95 O 14.78 -13.86 O 15.29 -7.45 O 19.06 -13.86 C:170 20.41 -7.68 C:170 18.08 -6.25 C:170 14.06 -15.05 C:169 13.98 -6.95 C:138 19.06 -9.98 C:128 16.84 -14.51 C:174 18.23 -14.91 C:157 16.84 -13.13 C:70 12.29 -11.44 C:77 18.23 -12.62 C:77 18.23 -8.82 C:71 16.84 -8.41 C:66 15.38 -12.62 C:77 15.51 -8.82 C:75 13.43 -12.11 C:46 14.56 -10.11 C:41 14.56 -11.44 41 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 39 8 -1 40 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 33 15 -2 39 16 -2 17 18 2 17 33 1 18 40 1 19 29 2 19 34 1 20 25 1 35 20 -1 21 26 1 36 21 -2 22 27 1 37 22 -1 23 28 1 38 23 -1 24 31 1 34 24 -2 29 35 1 30 31 1 30 32 2 32 34 1 32 37 1 33 39 1 35 36 1 36 38 1 37 41 1 38 40 1 39 41 1 40 41 1', 'C28H36O12', 564.3, 'C', 'hr65_2083_7', 4040, '', '', '1', 45, 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
(16098, 'Briviolide E', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@H:9](O[C:9001]([CH3:9002])=O)[C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O)[C@H:2](O)[C@@:1]2([CH3:15])[CH:14]=[CH:13][C@@H:12](O)[C@@:11]3([CH3:20])O', '[H][C@@]23[C@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](O)[C@H](O)[C@@]2(C)C=C[C@@H](O)[C@@]3(C)O', '[H][C@@:43]23[C@H:67](O[C:169]([CH3:22])=O)[C:157]1=[C:129]([CH3:10])[C:174](=O)O[C@H:77]1[CH:129]=[C:139]([CH3:26])[C@H:78](O[C:174](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:22][CH3:14])[C@@H:71](O)[C@H:76](O)[C@@:48]2([CH3:14])[CH:143]=[CH:123][C@@H:71](O)[C@@:75]3([CH3:21])O', '41 43 H 12.18 -12.02 C:4008 24.28 -3.81 C:9002 11.67 -17.33 C:16 17.28 -10.55 C:18 12.58 -16.40 C:20 10.31 -14.59 C:15 11.44 -9.59 O 9.51 -16.11 O 18.04 -9.88 O 15.56 -17.33 O 7.97 -13.24 O 13.73 -8.02 O 12.18 -8.51 O 9.10 -13.90 C:13 9.17 -11.18 C:14 10.31 -10.50 C:6 15.93 -12.52 C:4007 23.59 -5.05 C:4006 22.19 -5.05 C:4005 21.50 -6.28 C:4004 20.10 -6.28 C:4003 19.41 -7.51 C:4002 18.04 -7.51 O 11.56 -14.91 O 15.93 -14.91 O 15.93 -8.75 C:9001 10.91 -16.11 C:5 15.93 -11.05 C:17 13.73 -15.59 C:4001 17.28 -8.75 C:19 15.10 -15.99 C:8 13.73 -14.21 C:12 9.17 -12.52 C:7 15.10 -13.70 C:3 13.73 -9.47 C:2 12.40 -9.88 C:4 15.10 -9.88 C:9 12.27 -13.70 C:11 10.31 -13.19 C:1 11.44 -11.18 C:10 11.44 -12.52 41 1 -2 2 18 1 3 27 1 4 28 1 5 29 1 39 6 -1 40 7 -1 8 27 2 9 30 2 10 31 2 33 11 -2 35 12 -2 36 13 -1 39 14 -2 15 16 2 15 33 1 16 40 1 17 28 2 17 34 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 30 1 24 27 1 38 24 -1 25 31 1 34 25 -2 26 30 1 37 26 -1 28 37 1 29 31 1 29 32 2 32 34 1 32 38 1 33 39 1 35 36 1 35 37 1 36 40 1 38 41 1 39 41 1 40 41 1', '41 43 H 12.18 -12.02 C 24.28 -3.81 C 11.67 -17.33 C 17.28 -10.55 C 12.58 -16.40 C 10.31 -14.59 C 11.44 -9.59 O 9.51 -16.11 O 18.04 -9.88 O 15.56 -17.33 O 7.97 -13.24 O 13.73 -8.02 O 12.18 -8.51 O 9.10 -13.90 C 9.17 -11.18 C 10.31 -10.50 C 15.93 -12.52 C 23.59 -5.05 C 22.19 -5.05 C 21.50 -6.28 C 20.10 -6.28 C 19.41 -7.51 C 18.04 -7.51 O 11.56 -14.91 O 15.93 -14.91 O 15.93 -8.75 C 10.91 -16.11 C 15.93 -11.05 C 13.73 -15.59 C 17.28 -8.75 C 15.10 -15.99 C 13.73 -14.21 C 9.17 -12.52 C 15.10 -13.70 C 13.73 -9.47 C 12.40 -9.88 C 15.10 -9.88 C 12.27 -13.70 C 10.31 -13.19 C 11.44 -11.18 C 11.44 -12.52 41 1 -2 2 18 1 3 27 1 4 28 1 5 29 1 39 6 -1 40 7 -1 8 27 2 9 30 2 10 31 2 33 11 -2 35 12 -2 36 13 -1 39 14 -2 15 16 2 15 33 1 16 40 1 17 28 2 17 34 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 30 1 24 27 1 38 24 -1 25 31 1 34 25 -2 26 30 1 37 26 -1 28 37 1 29 31 1 29 32 2 32 34 1 32 38 1 33 39 1 35 36 1 35 37 1 36 40 1 38 41 1 39 41 1 40 41 1', '41 43 H 12.18 -12.02 C:14 24.28 -3.81 C:22 11.67 -17.33 C:26 17.28 -10.55 C:10 12.58 -16.40 C:21 10.31 -14.59 C:14 11.44 -9.59 O 9.51 -16.11 O 18.04 -9.88 O 15.56 -17.33 O 7.97 -13.24 O 13.73 -8.02 O 12.18 -8.51 O 9.10 -13.90 C:123 9.17 -11.18 C:143 10.31 -10.50 C:129 15.93 -12.52 C:22 23.59 -5.05 C:32 22.19 -5.05 C:29 21.50 -6.28 C:29 20.10 -6.28 C:25 19.41 -7.51 C:34 18.04 -7.51 O 11.56 -14.91 O 15.93 -14.91 O 15.93 -8.75 C:169 10.91 -16.11 C:139 15.93 -11.05 C:129 13.73 -15.59 C:174 17.28 -8.75 C:174 15.10 -15.99 C:157 13.73 -14.21 C:71 9.17 -12.52 C:77 15.10 -13.70 C:71 13.73 -9.47 C:76 12.40 -9.88 C:78 15.10 -9.88 C:67 12.27 -13.70 C:75 10.31 -13.19 C:48 11.44 -11.18 C:43 11.44 -12.52 41 1 -2 2 18 1 3 27 1 4 28 1 5 29 1 39 6 -1 40 7 -1 8 27 2 9 30 2 10 31 2 33 11 -2 35 12 -2 36 13 -1 39 14 -2 15 16 2 15 33 1 16 40 1 17 28 2 17 34 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 30 1 24 27 1 38 24 -1 25 31 1 34 25 -2 26 30 1 37 26 -1 28 37 1 29 31 1 29 32 2 32 34 1 32 38 1 33 39 1 35 36 1 35 37 1 36 40 1 38 41 1 39 41 1 40 41 1', 'C30H44O10', 564.323, 'C', 'hr65_2083_8', 4040, '', '', '1', 45, NULL, NULL),
(16099, 'Briviolide F', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH2:4004][CH2:4005][CH2:4006][CH2:4007][CH3:4008])[C@@H:3](O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12]3O[C@@:11]34[CH3:20]', '[H][C@@]24[C@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C=C(C)[C@H](OC(=O)CCCCCCC)[C@@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@@H]3O[C@@]34C', '[H][C@@:41]24[C@H:70](O[C:170]([CH3:23])=O)[C:156]1=[C:129]([CH3:10])[C:173](=O)O[C@H:77]1[CH:127]=[C:141]([CH3:25])[C@H:77](O[C:173](=O)[CH2:34][CH2:25][CH2:29][CH2:29][CH2:32][CH2:21][CH3:14])[C@@H:70](O)[C@H:72](O[C:168]([CH3:21])=O)[C@@:45]2([CH3:16])[C@@H:74](O[C:171]([CH3:21])=O)[CH2:25][C@@H:61]3O[C@@:62]34[CH3:24]', '47 50 H 12.23 -12.01 C:4008 24.36 -3.86 C:14002 9.20 -7.03 C:9002 11.50 -17.32 C:2002 10.79 -6.56 C:16 17.35 -10.55 C:18 12.63 -16.39 C:20 10.39 -14.60 C:15 11.50 -9.60 O 7.93 -9.13 O 9.46 -16.07 O 13.20 -6.28 O 18.11 -9.94 O 15.62 -17.32 O 13.80 -8.07 C:6 15.99 -12.51 C:4007 23.66 -5.06 C:4006 22.26 -5.06 C:4005 21.56 -6.27 C:4004 20.16 -6.26 C:4003 19.47 -7.50 C:4002 18.11 -7.52 C:13 9.20 -11.17 O 10.39 -9.13 O 11.61 -14.90 O 12.23 -8.51 O 15.99 -14.90 O 15.99 -8.76 O 9.20 -13.90 C:14001 9.17 -8.42 C:9001 10.86 -16.07 C:2001 12.07 -7.12 C:5 15.99 -11.04 C:17 13.80 -15.60 C:4001 17.35 -8.74 C:19 15.17 -16.00 C:8 13.80 -14.21 C:7 15.17 -13.70 C:3 13.80 -9.48 C:14 10.39 -10.50 C:12 9.20 -12.51 C:4 15.17 -9.89 C:9 12.32 -13.70 C:2 12.45 -9.89 C:11 10.39 -13.19 C:10 11.50 -12.51 C:1 11.50 -11.17 46 1 -2 2 17 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 45 8 -2 47 9 -1 10 30 2 11 31 2 12 32 2 13 35 2 14 36 2 39 15 -2 16 33 2 16 38 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 35 1 23 40 1 23 41 1 24 30 1 40 24 -2 25 31 1 43 25 -1 26 32 1 44 26 -1 27 36 1 38 27 -2 28 35 1 42 28 -1 41 29 -1 29 45 1 33 42 1 34 36 1 34 37 2 37 38 1 37 43 1 39 42 1 39 44 1 40 47 1 41 45 1 43 46 1 44 47 1 45 46 1 46 47 1', '47 50 H 12.23 -12.01 C 24.36 -3.86 C 9.20 -7.03 C 11.50 -17.32 C 10.79 -6.56 C 17.35 -10.55 C 12.63 -16.39 C 10.39 -14.60 C 11.50 -9.60 O 7.93 -9.13 O 9.46 -16.07 O 13.20 -6.28 O 18.11 -9.94 O 15.62 -17.32 O 13.80 -8.07 C 15.99 -12.51 C 23.66 -5.06 C 22.26 -5.06 C 21.56 -6.27 C 20.16 -6.26 C 19.47 -7.50 C 18.11 -7.52 C 9.20 -11.17 O 10.39 -9.13 O 11.61 -14.90 O 12.23 -8.51 O 15.99 -14.90 O 15.99 -8.76 O 9.20 -13.90 C 9.17 -8.42 C 10.86 -16.07 C 12.07 -7.12 C 15.99 -11.04 C 13.80 -15.60 C 17.35 -8.74 C 15.17 -16.00 C 13.80 -14.21 C 15.17 -13.70 C 13.80 -9.48 C 10.39 -10.50 C 9.20 -12.51 C 15.17 -9.89 C 12.32 -13.70 C 12.45 -9.89 C 10.39 -13.19 C 11.50 -12.51 C 11.50 -11.17 46 1 -2 2 17 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 45 8 -2 47 9 -1 10 30 2 11 31 2 12 32 2 13 35 2 14 36 2 39 15 -2 16 33 2 16 38 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 35 1 23 40 1 23 41 1 24 30 1 40 24 -2 25 31 1 43 25 -1 26 32 1 44 26 -1 27 36 1 38 27 -2 28 35 1 42 28 -1 41 29 -1 29 45 1 33 42 1 34 36 1 34 37 2 37 38 1 37 43 1 39 42 1 39 44 1 40 47 1 41 45 1 43 46 1 44 47 1 45 46 1 46 47 1', '47 50 H 12.23 -12.01 C:14 24.36 -3.86 C:21 9.20 -7.03 C:23 11.50 -17.32 C:21 10.79 -6.56 C:25 17.35 -10.55 C:10 12.63 -16.39 C:24 10.39 -14.60 C:16 11.50 -9.60 O 7.93 -9.13 O 9.46 -16.07 O 13.20 -6.28 O 18.11 -9.94 O 15.62 -17.32 O 13.80 -8.07 C:127 15.99 -12.51 C:21 23.66 -5.06 C:32 22.26 -5.06 C:29 21.56 -6.27 C:29 20.16 -6.26 C:25 19.47 -7.50 C:34 18.11 -7.52 C:25 9.20 -11.17 O 10.39 -9.13 O 11.61 -14.90 O 12.23 -8.51 O 15.99 -14.90 O 15.99 -8.76 O 9.20 -13.90 C:171 9.17 -8.42 C:170 10.86 -16.07 C:168 12.07 -7.12 C:141 15.99 -11.04 C:129 13.80 -15.60 C:173 17.35 -8.74 C:173 15.17 -16.00 C:156 13.80 -14.21 C:77 15.17 -13.70 C:70 13.80 -9.48 C:74 10.39 -10.50 C:61 9.20 -12.51 C:77 15.17 -9.89 C:70 12.32 -13.70 C:72 12.45 -9.89 C:62 10.39 -13.19 C:41 11.50 -12.51 C:45 11.50 -11.17 46 1 -2 2 17 1 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 45 8 -2 47 9 -1 10 30 2 11 31 2 12 32 2 13 35 2 14 36 2 39 15 -2 16 33 2 16 38 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 35 1 23 40 1 23 41 1 24 30 1 40 24 -2 25 31 1 43 25 -1 26 32 1 44 26 -1 27 36 1 38 27 -2 28 35 1 42 28 -1 41 29 -1 29 45 1 33 42 1 34 36 1 34 37 2 37 38 1 37 43 1 39 42 1 39 44 1 40 47 1 41 45 1 43 46 1 44 47 1 45 46 1 46 47 1', 'C34H48O12', 648.365, 'C', 'hr65_2083_9', 4040, '', '', '1', 45, NULL, NULL),
(16100, 'Briviolide G', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][CH2:2][C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12]3O[C@@:11]34[CH3:20]', '[H][C@@]24CC1=C(C)C(=O)O[C@H]1C=C(C)CCC[C@@]2(C)[C@@H](OC(C)=O)C[C@@H]3O[C@@]34C', '[H][C@@:38]24[CH2:24][C:164]1=[C:123]([CH3:9])[C:175](=O)O[C@H:79]1[CH:123]=[C:141]([CH3:23])[CH2:31][CH2:23][CH2:36][C@@:39]2([CH3:14])[C@@H:77](O[C:170]([CH3:22])=O)[CH2:28][C@@H:60]3O[C@@:62]34[CH3:23]', '28 31 H 15.73 -10.45 C:14002 12.61 -5.44 C:16 20.83 -8.97 C:18 16.13 -14.84 C:15 15.02 -8.02 C:20 13.86 -13.04 O 11.41 -7.56 O 19.11 -15.77 C:6 19.48 -10.95 C:3 17.29 -7.90 C:4 18.66 -8.31 C:2 15.95 -8.31 C:13 12.72 -9.61 C:9 15.82 -12.14 O 13.86 -7.56 O 19.48 -13.33 O 12.67 -12.33 C:14001 12.61 -6.84 C:5 19.48 -9.48 C:17 17.29 -14.04 C:19 18.66 -14.44 C:8 17.29 -12.65 C:7 18.66 -12.14 C:14 13.86 -8.92 C:12 12.72 -10.95 C:10 15.02 -10.95 C:1 15.02 -9.61 C:11 13.86 -11.62 26 1 -2 2 18 1 3 19 1 4 20 1 27 5 -1 28 6 -2 7 18 2 8 21 2 9 19 2 9 23 1 10 11 1 10 12 1 11 19 1 12 27 1 13 24 1 13 25 1 14 22 1 14 26 1 15 18 1 24 15 -2 16 21 1 23 16 -2 25 17 -1 17 28 1 20 21 1 20 22 2 22 23 1 24 27 1 25 28 1 26 27 1 26 28 1', '28 31 H 15.73 -10.45 C 12.61 -5.44 C 20.83 -8.97 C 16.13 -14.84 C 15.02 -8.02 C 13.86 -13.04 O 11.41 -7.56 O 19.11 -15.77 C 19.48 -10.95 C 17.29 -7.90 C 18.66 -8.31 C 15.95 -8.31 C 12.72 -9.61 C 15.82 -12.14 O 13.86 -7.56 O 19.48 -13.33 O 12.67 -12.33 C 12.61 -6.84 C 19.48 -9.48 C 17.29 -14.04 C 18.66 -14.44 C 17.29 -12.65 C 18.66 -12.14 C 13.86 -8.92 C 12.72 -10.95 C 15.02 -10.95 C 15.02 -9.61 C 13.86 -11.62 26 1 -2 2 18 1 3 19 1 4 20 1 27 5 -1 28 6 -2 7 18 2 8 21 2 9 19 2 9 23 1 10 11 1 10 12 1 11 19 1 12 27 1 13 24 1 13 25 1 14 22 1 14 26 1 15 18 1 24 15 -2 16 21 1 23 16 -2 25 17 -1 17 28 1 20 21 1 20 22 2 22 23 1 24 27 1 25 28 1 26 27 1 26 28 1', '28 31 H 15.73 -10.45 C:22 12.61 -5.44 C:23 20.83 -8.97 C:9 16.13 -14.84 C:14 15.02 -8.02 C:23 13.86 -13.04 O 11.41 -7.56 O 19.11 -15.77 C:123 19.48 -10.95 C:23 17.29 -7.90 C:31 18.66 -8.31 C:36 15.95 -8.31 C:28 12.72 -9.61 C:24 15.82 -12.14 O 13.86 -7.56 O 19.48 -13.33 O 12.67 -12.33 C:170 12.61 -6.84 C:141 19.48 -9.48 C:123 17.29 -14.04 C:175 18.66 -14.44 C:164 17.29 -12.65 C:79 18.66 -12.14 C:77 13.86 -8.92 C:60 12.72 -10.95 C:38 15.02 -10.95 C:39 15.02 -9.61 C:62 13.86 -11.62 26 1 -2 2 18 1 3 19 1 4 20 1 27 5 -1 28 6 -2 7 18 2 8 21 2 9 19 2 9 23 1 10 11 1 10 12 1 11 19 1 12 27 1 13 24 1 13 25 1 14 22 1 14 26 1 15 18 1 24 15 -2 16 21 1 23 16 -2 25 17 -1 17 28 1 20 21 1 20 22 2 22 23 1 24 27 1 25 28 1 26 27 1 26 28 1', 'C22H30O5', 374.24, 'C', 'hr65_2083_10', 4040, '', '', '1', 45, NULL, NULL),
(16101, 'Briviolide H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@@:7]1(O[CH3:7001])[CH:6]=[C:5]([CH2:16]O)[CH2:4][CH2:3][CH2:2][C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12]3O[C@@:11]34[CH3:20]', '[H][C@@]24CC1=C(C)C(=O)O[C@@]1(OC)C=C(CO)CCC[C@@]2(C)[C@@H](OC(C)=O)C[C@@H]3O[C@@]34C', '[H][C@@:37]24[CH2:24][C:160]1=[C:128]([CH3:9])[C:171](=O)O[C@@:108]1(O[CH3:9999])[CH:120]=[C:149]([CH2:66]O)[CH2:30][CH2:21][CH2:45][C@@:38]2([CH3:22])[C@@H:79](O[C:170]([CH3:21])=O)[CH2:27][C@@H:60]3O[C@@:61]34[CH3:23]', '31 34 H 16.32 -11.27 C:7001 21.59 -12.35 C:14002 13.20 -6.27 C:18 16.72 -15.65 C:15 15.61 -8.85 C:20 14.45 -13.86 O 12.01 -8.39 O 19.68 -16.58 O 22.52 -10.59 C:6 20.05 -11.77 C:16 21.41 -9.74 C:3 17.88 -8.73 C:4 19.23 -9.14 C:2 16.54 -9.14 C:13 13.26 -10.43 C:9 16.41 -12.96 O 20.59 -13.33 O 14.45 -8.39 O 20.05 -14.15 O 13.26 -13.15 C:14001 13.20 -7.66 C:17 17.88 -14.86 C:19 19.23 -15.26 C:5 20.05 -10.30 C:8 17.88 -13.47 C:14 14.45 -9.74 C:12 13.26 -11.77 C:10 15.61 -11.77 C:1 15.61 -10.43 C:11 14.45 -12.44 C:7 19.23 -12.96 28 1 -2 2 17 1 3 21 1 4 22 1 29 5 -1 30 6 -2 7 21 2 8 23 2 9 11 1 10 24 2 10 31 1 11 24 1 12 13 1 12 14 1 13 24 1 14 29 1 15 26 1 15 27 1 16 25 1 16 28 1 17 31 1 18 21 1 26 18 -2 19 23 1 31 19 -2 27 20 -1 20 30 1 22 23 1 22 25 2 25 31 1 26 29 1 27 30 1 28 29 1 28 30 1', '31 34 H 16.32 -11.27 C 21.59 -12.35 C 13.20 -6.27 C 16.72 -15.65 C 15.61 -8.85 C 14.45 -13.86 O 12.01 -8.39 O 19.68 -16.58 O 22.52 -10.59 C 20.05 -11.77 C 21.41 -9.74 C 17.88 -8.73 C 19.23 -9.14 C 16.54 -9.14 C 13.26 -10.43 C 16.41 -12.96 O 20.59 -13.33 O 14.45 -8.39 O 20.05 -14.15 O 13.26 -13.15 C 13.20 -7.66 C 17.88 -14.86 C 19.23 -15.26 C 20.05 -10.30 C 17.88 -13.47 C 14.45 -9.74 C 13.26 -11.77 C 15.61 -11.77 C 15.61 -10.43 C 14.45 -12.44 C 19.23 -12.96 28 1 -2 2 17 1 3 21 1 4 22 1 29 5 -1 30 6 -2 7 21 2 8 23 2 9 11 1 10 24 2 10 31 1 11 24 1 12 13 1 12 14 1 13 24 1 14 29 1 15 26 1 15 27 1 16 25 1 16 28 1 17 31 1 18 21 1 26 18 -2 19 23 1 31 19 -2 27 20 -1 20 30 1 22 23 1 22 25 2 25 31 1 26 29 1 27 30 1 28 29 1 28 30 1', '31 34 H 16.32 -11.27 C 21.59 -12.35 C:21 13.20 -6.27 C:9 16.72 -15.65 C:22 15.61 -8.85 C:23 14.45 -13.86 O 12.01 -8.39 O 19.68 -16.58 O 22.52 -10.59 C:120 20.05 -11.77 C:66 21.41 -9.74 C:21 17.88 -8.73 C:30 19.23 -9.14 C:45 16.54 -9.14 C:27 13.26 -10.43 C:24 16.41 -12.96 O 20.59 -13.33 O 14.45 -8.39 O 20.05 -14.15 O 13.26 -13.15 C:170 13.20 -7.66 C:128 17.88 -14.86 C:171 19.23 -15.26 C:149 20.05 -10.30 C:160 17.88 -13.47 C:79 14.45 -9.74 C:60 13.26 -11.77 C:37 15.61 -11.77 C:38 15.61 -10.43 C:61 14.45 -12.44 C:108 19.23 -12.96 28 1 -2 2 17 1 3 21 1 4 22 1 29 5 -1 30 6 -2 7 21 2 8 23 2 9 11 1 10 24 2 10 31 1 11 24 1 12 13 1 12 14 1 13 24 1 14 29 1 15 26 1 15 27 1 16 25 1 16 28 1 17 31 1 18 21 1 26 18 -2 19 23 1 31 19 -2 27 20 -1 20 30 1 22 23 1 22 25 2 25 31 1 26 29 1 27 30 1 28 29 1 28 30 1', 'C23H32O7', 420.25, 'C', 'hr65_2083_11', 4040, '', '', '1', 45, NULL, NULL),
(16102, 'Briviolide I', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]13[CH2:9][C:8](=[C:17]([CH3:18])[C:19](=O)O[CH3:19001])[C:7](=O)[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][CH2:2][C@@:1]1([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@@H:12]2O[C@@:11]23[CH3:20]', '[H][C@@]13CC(=C(C)C(=O)OC)C(=O)C=C(C)CCC[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]2O[C@@]23C', '[H][C@@:35]13[CH2:32][C:155](=[C:124]([CH3:14])[C:168](=O)O[CH3:52])[C:202](=O)[CH:129]=[C:149]([CH3:24])[CH2:32][CH2:23][CH2:37][C@@:39]1([CH3:22])[C@@H:78](O[C:171]([CH3:22])=O)[CH2:28][C@@H:60]2O[C@@:63]23[CH3:23]', '30 32 H 16.89 -10.78 C:19001 20.91 -17.09 C:14002 13.76 -5.78 C:16 21.96 -9.29 C:18 17.29 -15.14 C:15 16.17 -8.34 C:20 15.01 -13.34 O 12.55 -7.87 O 20.86 -13.43 O 20.86 -14.24 C:6 20.61 -11.28 C:3 18.42 -8.22 C:4 19.81 -8.63 C:2 17.11 -8.63 C:13 13.82 -9.95 C:9 16.98 -12.46 O 19.69 -16.40 O 15.01 -7.87 O 13.82 -12.65 C:14001 13.76 -7.16 C:5 20.61 -9.82 C:7 19.81 -12.46 C:17 18.42 -14.34 C:19 19.69 -14.98 C:8 18.42 -12.97 C:14 15.01 -9.24 C:12 13.82 -11.28 C:10 16.17 -11.28 C:1 16.17 -9.95 C:11 15.01 -11.94 28 1 -2 2 17 1 3 20 1 4 21 1 5 23 1 29 6 -1 30 7 -2 8 20 2 9 22 2 10 24 2 11 21 2 11 22 1 12 13 1 12 14 1 13 21 1 14 29 1 15 26 1 15 27 1 16 25 1 16 28 1 17 24 1 18 20 1 26 18 -2 27 19 -1 19 30 1 22 25 1 23 24 1 23 25 2 26 29 1 27 30 1 28 29 1 28 30 1', '30 32 H 16.89 -10.78 C 20.91 -17.09 C 13.76 -5.78 C 21.96 -9.29 C 17.29 -15.14 C 16.17 -8.34 C 15.01 -13.34 O 12.55 -7.87 O 20.86 -13.43 O 20.86 -14.24 C 20.61 -11.28 C 18.42 -8.22 C 19.81 -8.63 C 17.11 -8.63 C 13.82 -9.95 C 16.98 -12.46 O 19.69 -16.40 O 15.01 -7.87 O 13.82 -12.65 C 13.76 -7.16 C 20.61 -9.82 C 19.81 -12.46 C 18.42 -14.34 C 19.69 -14.98 C 18.42 -12.97 C 15.01 -9.24 C 13.82 -11.28 C 16.17 -11.28 C 16.17 -9.95 C 15.01 -11.94 28 1 -2 2 17 1 3 20 1 4 21 1 5 23 1 29 6 -1 30 7 -2 8 20 2 9 22 2 10 24 2 11 21 2 11 22 1 12 13 1 12 14 1 13 21 1 14 29 1 15 26 1 15 27 1 16 25 1 16 28 1 17 24 1 18 20 1 26 18 -2 27 19 -1 19 30 1 22 25 1 23 24 1 23 25 2 26 29 1 27 30 1 28 29 1 28 30 1', '30 32 H 16.89 -10.78 C:52 20.91 -17.09 C:22 13.76 -5.78 C:24 21.96 -9.29 C:14 17.29 -15.14 C:22 16.17 -8.34 C:23 15.01 -13.34 O 12.55 -7.87 O 20.86 -13.43 O 20.86 -14.24 C:129 20.61 -11.28 C:23 18.42 -8.22 C:32 19.81 -8.63 C:37 17.11 -8.63 C:28 13.82 -9.95 C:32 16.98 -12.46 O 19.69 -16.40 O 15.01 -7.87 O 13.82 -12.65 C:171 13.76 -7.16 C:149 20.61 -9.82 C:202 19.81 -12.46 C:124 18.42 -14.34 C:168 19.69 -14.98 C:155 18.42 -12.97 C:78 15.01 -9.24 C:60 13.82 -11.28 C:35 16.17 -11.28 C:39 16.17 -9.95 C:63 15.01 -11.94 28 1 -2 2 17 1 3 20 1 4 21 1 5 23 1 29 6 -1 30 7 -2 8 20 2 9 22 2 10 24 2 11 21 2 11 22 1 12 13 1 12 14 1 13 21 1 14 29 1 15 26 1 15 27 1 16 25 1 16 28 1 17 24 1 18 20 1 26 18 -2 27 19 -1 19 30 1 22 25 1 23 24 1 23 25 2 26 29 1 27 30 1 28 29 1 28 30 1', 'C23H32O6', 404.25, 'C', 'hr65_2083_12', 4040, '', '', '1', 45, NULL, NULL),
(16103, '', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[CH2:9][C:8]1=[C:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][CH:12]=[C:11]3[CH3:20]', '[H][C@@]23CC1=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)CC=C3C', '[H][C@@:38]23[CH2:29][C:160]1=[C:125]([CH3:10])[C:174](=O)O[C@H:81]1[CH:126]=[C:138]([CH3:27])[CH2:36][C@@H:69](O[C:171]([CH3:21])=O)[C@H:72](O[C:171]([CH3:21])=O)[C@@:42]2([CH3:15])[C@@H:73](O[C:171]([CH3:21])=O)[CH2:26][CH:117]=[C:136]3[CH3:22]', '35 37 H 16.83 -11.78 C:3002 19.67 -5.77 C:14002 13.75 -6.79 C:2002 17.67 -6.00 C:16 21.94 -10.32 C:20 14.97 -14.37 C:18 17.23 -16.17 C:15 16.10 -9.37 O 20.87 -7.83 O 12.52 -8.90 O 15.28 -6.40 O 20.21 -17.10 C:12 13.82 -12.28 C:6 20.58 -12.28 C:13 13.82 -10.95 C:4 19.76 -9.66 C:9 16.92 -13.47 O 18.40 -7.83 O 14.97 -8.90 O 16.83 -8.27 O 20.58 -14.67 C:3001 19.67 -7.17 C:14001 13.75 -8.18 C:2001 16.59 -6.89 C:5 20.58 -10.82 C:11 14.97 -12.96 C:17 18.40 -15.37 C:19 19.76 -15.77 C:8 18.40 -13.98 C:7 19.76 -13.47 C:3 18.40 -9.25 C:14 14.97 -10.27 C:2 17.05 -9.66 C:10 16.10 -12.28 C:1 16.10 -10.95 34 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 9 22 2 10 23 2 11 24 2 12 28 2 13 15 1 13 26 2 14 25 2 14 30 1 15 32 1 16 25 1 16 31 1 17 29 1 17 34 1 18 22 1 31 18 -2 19 23 1 32 19 -2 20 24 1 33 20 -1 21 28 1 30 21 -2 26 34 1 27 28 1 27 29 2 29 30 1 31 33 1 32 35 1 33 35 1 34 35 1', '35 37 H 16.83 -11.78 C 19.67 -5.77 C 13.75 -6.79 C 17.67 -6.00 C 21.94 -10.32 C 14.97 -14.37 C 17.23 -16.17 C 16.10 -9.37 O 20.87 -7.83 O 12.52 -8.90 O 15.28 -6.40 O 20.21 -17.10 C 13.82 -12.28 C 20.58 -12.28 C 13.82 -10.95 C 19.76 -9.66 C 16.92 -13.47 O 18.40 -7.83 O 14.97 -8.90 O 16.83 -8.27 O 20.58 -14.67 C 19.67 -7.17 C 13.75 -8.18 C 16.59 -6.89 C 20.58 -10.82 C 14.97 -12.96 C 18.40 -15.37 C 19.76 -15.77 C 18.40 -13.98 C 19.76 -13.47 C 18.40 -9.25 C 14.97 -10.27 C 17.05 -9.66 C 16.10 -12.28 C 16.10 -10.95 34 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 9 22 2 10 23 2 11 24 2 12 28 2 13 15 1 13 26 2 14 25 2 14 30 1 15 32 1 16 25 1 16 31 1 17 29 1 17 34 1 18 22 1 31 18 -2 19 23 1 32 19 -2 20 24 1 33 20 -1 21 28 1 30 21 -2 26 34 1 27 28 1 27 29 2 29 30 1 31 33 1 32 35 1 33 35 1 34 35 1', '35 37 H 16.83 -11.78 C:21 19.67 -5.77 C:21 13.75 -6.79 C:21 17.67 -6.00 C:27 21.94 -10.32 C:22 14.97 -14.37 C:10 17.23 -16.17 C:15 16.10 -9.37 O 20.87 -7.83 O 12.52 -8.90 O 15.28 -6.40 O 20.21 -17.10 C:117 13.82 -12.28 C:126 20.58 -12.28 C:26 13.82 -10.95 C:36 19.76 -9.66 C:29 16.92 -13.47 O 18.40 -7.83 O 14.97 -8.90 O 16.83 -8.27 O 20.58 -14.67 C:171 19.67 -7.17 C:171 13.75 -8.18 C:171 16.59 -6.89 C:138 20.58 -10.82 C:136 14.97 -12.96 C:125 18.40 -15.37 C:174 19.76 -15.77 C:160 18.40 -13.98 C:81 19.76 -13.47 C:69 18.40 -9.25 C:73 14.97 -10.27 C:72 17.05 -9.66 C:38 16.10 -12.28 C:42 16.10 -10.95 34 1 -2 2 22 1 3 23 1 4 24 1 5 25 1 6 26 1 7 27 1 35 8 -1 9 22 2 10 23 2 11 24 2 12 28 2 13 15 1 13 26 2 14 25 2 14 30 1 15 32 1 16 25 1 16 31 1 17 29 1 17 34 1 18 22 1 31 18 -2 19 23 1 32 19 -2 20 24 1 33 20 -1 21 28 1 30 21 -2 26 34 1 27 28 1 27 29 2 29 30 1 31 33 1 32 35 1 33 35 1 34 35 1', 'C26H34O8', 474.281, 'C', 'hr65_2083_13', 4040, '', '', '1', 45, NULL, NULL),
(16104, 'Artemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH3:13])[C@:7]2([H])[CH2:8][CH2:9][C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](C)[C@]2([H])CC[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:36][C@:105]4([CH3:20])OO[C@:79]12[C@H:94](O[C:172](=O)[C@H:33]([CH3:13])[C@:45]2([H])[CH2:23][CH2:34][C@H:37]3[CH3:25])O4', '22 25 H 18.15 -8.52 H 18.64 -12.37 C:15 19.43 -7.49 C:13 20.71 -13.97 C:14 13.77 -10.90 O 18.15 -15.36 C:9 20.71 -9.62 C:8 20.71 -11.08 C:3 15.71 -9.09 C:2 17.09 -8.80 O 16.66 -11.08 O 17.41 -9.91 O 16.97 -13.26 O 15.71 -11.62 C:12 18.15 -13.97 C:10 19.43 -8.93 C:11 19.43 -13.26 C:5 16.97 -11.86 C:4 15.11 -10.35 C:1 18.15 -9.62 C:7 19.43 -11.80 C:6 18.15 -11.08 20 1 -2 21 2 -2 16 3 -2 17 4 -1 19 5 -1 6 15 2 7 8 1 7 16 1 8 21 1 9 10 1 9 19 1 10 20 1 11 12 1 11 19 1 22 12 -2 13 15 1 18 13 -2 14 18 1 14 19 1 15 17 1 16 20 1 17 21 1 18 22 1 20 22 1 21 22 1', '22 25 H 18.15 -8.52 H 18.64 -12.37 C 19.43 -7.49 C 20.71 -13.97 C 13.77 -10.90 O 18.15 -15.36 C 20.71 -9.62 C 20.71 -11.08 C 15.71 -9.09 C 17.09 -8.80 O 16.66 -11.08 O 17.41 -9.91 O 16.97 -13.26 O 15.71 -11.62 C 18.15 -13.97 C 19.43 -8.93 C 19.43 -13.26 C 16.97 -11.86 C 15.11 -10.35 C 18.15 -9.62 C 19.43 -11.80 C 18.15 -11.08 20 1 -2 21 2 -2 16 3 -2 17 4 -1 19 5 -1 6 15 2 7 8 1 7 16 1 8 21 1 9 10 1 9 19 1 10 20 1 11 12 1 11 19 1 22 12 -2 13 15 1 18 13 -2 14 18 1 14 19 1 15 17 1 16 20 1 17 21 1 18 22 1 20 22 1 21 22 1', '22 25 H 18.15 -8.52 H 18.64 -12.37 C:25 19.43 -7.49 C:13 20.71 -13.97 C:20 13.77 -10.90 O 18.15 -15.36 C:34 20.71 -9.62 C:23 20.71 -11.08 C:36 15.71 -9.09 C:25 17.09 -8.80 O 16.66 -11.08 O 17.41 -9.91 O 16.97 -13.26 O 15.71 -11.62 C:172 18.15 -13.97 C:37 19.43 -8.93 C:33 19.43 -13.26 C:94 16.97 -11.86 C:105 15.11 -10.35 C:50 18.15 -9.62 C:45 19.43 -11.80 C:79 18.15 -11.08 20 1 -2 21 2 -2 16 3 -2 17 4 -1 19 5 -1 6 15 2 7 8 1 7 16 1 8 21 1 9 10 1 9 19 1 10 20 1 11 12 1 11 19 1 22 12 -2 13 15 1 18 13 -2 14 18 1 14 19 1 15 17 1 16 20 1 17 21 1 18 22 1 20 22 1 21 22 1', 'C15H22O5', 282.173, 'C', 'np01_1201_1', 4041, '', '', '1', 47, NULL, NULL),
(16105, 'Artemisinic ac', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[C:11](=[CH2:13])[C:12](=O)O', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(=C)C(=O)O', '[H][C@:38]12[CH:120]=[C:135]([CH3:22])[CH2:26][CH2:26][C@@:41]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:26][C@H:42]2[C:143](=[CH2:127])[C:173](=O)O', '19 20 H 17.85 -12.10 H 17.85 -8.49 C:13 20.37 -13.95 C:14 14.14 -11.79 C:15 19.12 -7.47 O 16.67 -13.25 O 17.85 -15.35 C:5 16.67 -11.79 C:3 15.39 -9.63 C:9 20.37 -9.63 C:8 20.37 -11.06 C:2 16.67 -8.91 C:4 15.39 -11.06 C:11 19.12 -13.25 C:12 17.85 -13.95 C:10 19.12 -8.91 C:7 19.12 -11.79 C:6 17.85 -11.06 C:1 17.85 -9.63 18 1 -2 19 2 -2 3 14 2 4 13 1 16 5 -2 6 15 2 7 15 1 8 13 2 8 18 1 9 12 1 9 13 1 10 11 1 10 16 1 11 17 1 12 19 1 14 15 1 17 14 -1 16 19 1 17 18 1 18 19 1', '19 20 H 17.85 -12.10 H 17.85 -8.49 C 20.37 -13.95 C 14.14 -11.79 C 19.12 -7.47 O 16.67 -13.25 O 17.85 -15.35 C 16.67 -11.79 C 15.39 -9.63 C 20.37 -9.63 C 20.37 -11.06 C 16.67 -8.91 C 15.39 -11.06 C 19.12 -13.25 C 17.85 -13.95 C 19.12 -8.91 C 19.12 -11.79 C 17.85 -11.06 C 17.85 -9.63 18 1 -2 19 2 -2 3 14 2 4 13 1 16 5 -2 6 15 2 7 15 1 8 13 2 8 18 1 9 12 1 9 13 1 10 11 1 10 16 1 11 17 1 12 19 1 14 15 1 17 14 -1 16 19 1 17 18 1 18 19 1', '19 20 H 17.85 -12.10 H 17.85 -8.49 C:127 20.37 -13.95 C:22 14.14 -11.79 C:20 19.12 -7.47 O 16.67 -13.25 O 17.85 -15.35 C:120 16.67 -11.79 C:26 15.39 -9.63 C:35 20.37 -9.63 C:26 20.37 -11.06 C:26 16.67 -8.91 C:135 15.39 -11.06 C:143 19.12 -13.25 C:173 17.85 -13.95 C:28 19.12 -8.91 C:42 19.12 -11.79 C:38 17.85 -11.06 C:41 17.85 -9.63 18 1 -2 19 2 -2 3 14 2 4 13 1 16 5 -2 6 15 2 7 15 1 8 13 2 8 18 1 9 12 1 9 13 1 10 11 1 10 16 1 11 17 1 12 19 1 14 15 1 17 14 -1 16 19 1 17 18 1 18 19 1', 'C15H22O2', 234.175, 'C', 'np01_1201_2', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16106, 'Methyl artemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[C:11](=[CH2:13])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(=C)C(=O)OC', '[H][C@:38]12[CH:120]=[C:135]([CH3:24])[CH2:26][CH2:26][C@@:41]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:26][C@H:42]2[C:143](=[CH2:124])[C:167](=O)O[CH3:52]', '20 21 H 17.82 -11.75 H 17.82 -8.14 C:13 20.33 -13.60 C:12001 16.61 -15.69 C:14 14.11 -11.44 C:15 19.09 -7.12 O 16.61 -12.90 C:5 16.61 -11.44 C:3 15.36 -9.27 C:9 20.33 -9.27 C:8 20.33 -10.71 C:2 16.61 -8.55 O 17.82 -14.99 C:4 15.36 -10.71 C:11 19.09 -12.90 C:12 17.82 -13.60 C:10 19.09 -8.55 C:7 19.09 -11.44 C:6 17.82 -10.71 C:1 17.82 -9.27 19 1 -2 20 2 -2 3 15 2 4 13 1 5 14 1 17 6 -2 7 16 2 8 14 2 8 19 1 9 12 1 9 14 1 10 11 1 10 17 1 11 18 1 12 20 1 13 16 1 15 16 1 18 15 -1 17 20 1 18 19 1 19 20 1', '20 21 H 17.82 -11.75 H 17.82 -8.14 C 20.33 -13.60 C 16.61 -15.69 C 14.11 -11.44 C 19.09 -7.12 O 16.61 -12.90 C 16.61 -11.44 C 15.36 -9.27 C 20.33 -9.27 C 20.33 -10.71 C 16.61 -8.55 O 17.82 -14.99 C 15.36 -10.71 C 19.09 -12.90 C 17.82 -13.60 C 19.09 -8.55 C 19.09 -11.44 C 17.82 -10.71 C 17.82 -9.27 19 1 -2 20 2 -2 3 15 2 4 13 1 5 14 1 17 6 -2 7 16 2 8 14 2 8 19 1 9 12 1 9 14 1 10 11 1 10 17 1 11 18 1 12 20 1 13 16 1 15 16 1 18 15 -1 17 20 1 18 19 1 19 20 1', '20 21 H 17.82 -11.75 H 17.82 -8.14 C:124 20.33 -13.60 C:52 16.61 -15.69 C:24 14.11 -11.44 C:20 19.09 -7.12 O 16.61 -12.90 C:120 16.61 -11.44 C:26 15.36 -9.27 C:35 20.33 -9.27 C:26 20.33 -10.71 C:26 16.61 -8.55 O 17.82 -14.99 C:135 15.36 -10.71 C:143 19.09 -12.90 C:167 17.82 -13.60 C:28 19.09 -8.55 C:42 19.09 -11.44 C:38 17.82 -10.71 C:41 17.82 -9.27 19 1 -2 20 2 -2 3 15 2 4 13 1 5 14 1 17 6 -2 7 16 2 8 14 2 8 19 1 9 12 1 9 14 1 10 11 1 10 17 1 11 18 1 12 20 1 13 16 1 15 16 1 18 15 -1 17 20 1 18 19 1 19 20 1', 'C16H24O2', 248.186, 'C', 'np01_1201_3', 4041, '', 'identico a ph48_1207_3', '1', 47, NULL, NULL),
(16107, 'Methyl 13-cyano-11-hydroartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13][C:13001]#N)[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(CC#N)C(=O)OC', '[H][C@:39]12[CH:119]=[C:137]([CH3:24])[CH2:27][CH2:26][C@@:41]1([H])[C@H:27]([CH3:20])[CH2:35][CH2:26][C@H:42]2[CH:44]([CH2:18][C:118]#N)[C:174](=O)O[CH3:52]', '22 23 H 17.89 -11.40 H 17.89 -7.77 C:12001 16.68 -15.36 C:14 14.15 -11.10 C:15 19.16 -6.79 N 20.38 -16.06 O 16.68 -12.56 C:13001 20.38 -14.67 C:5 16.68 -11.10 C:13 20.38 -13.27 C:3 15.41 -8.91 C:9 20.38 -8.91 C:8 20.38 -10.37 C:2 16.68 -8.21 O 17.89 -14.66 C:4 15.41 -10.37 C:12 17.89 -13.27 C:10 19.16 -8.21 C:11 19.16 -12.56 C:7 19.16 -11.10 C:6 17.89 -10.37 C:1 17.89 -8.91 21 1 -2 22 2 -2 3 15 1 4 16 1 18 5 -2 6 8 3 7 17 2 8 10 1 9 16 2 9 21 1 10 19 1 11 14 1 11 16 1 12 13 1 12 18 1 13 20 1 14 22 1 15 17 1 17 19 1 18 22 1 20 19 -1 20 21 1 21 22 1', '22 23 H 17.89 -11.40 H 17.89 -7.77 C 16.68 -15.36 C 14.15 -11.10 C 19.16 -6.79 N 20.38 -16.06 O 16.68 -12.56 C 20.38 -14.67 C 16.68 -11.10 C 20.38 -13.27 C 15.41 -8.91 C 20.38 -8.91 C 20.38 -10.37 C 16.68 -8.21 O 17.89 -14.66 C 15.41 -10.37 C 17.89 -13.27 C 19.16 -8.21 C 19.16 -12.56 C 19.16 -11.10 C 17.89 -10.37 C 17.89 -8.91 21 1 -2 22 2 -2 3 15 1 4 16 1 18 5 -2 6 8 3 7 17 2 8 10 1 9 16 2 9 21 1 10 19 1 11 14 1 11 16 1 12 13 1 12 18 1 13 20 1 14 22 1 15 17 1 17 19 1 18 22 1 20 19 -1 20 21 1 21 22 1', '22 23 H 17.89 -11.40 H 17.89 -7.77 C:52 16.68 -15.36 C:24 14.15 -11.10 C:20 19.16 -6.79 N 20.38 -16.06 O 16.68 -12.56 C:118 20.38 -14.67 C:119 16.68 -11.10 C:18 20.38 -13.27 C:27 15.41 -8.91 C:35 20.38 -8.91 C:26 20.38 -10.37 C:26 16.68 -8.21 O 17.89 -14.66 C:137 15.41 -10.37 C:174 17.89 -13.27 C:27 19.16 -8.21 C:44 19.16 -12.56 C:42 19.16 -11.10 C:39 17.89 -10.37 C:41 17.89 -8.91 21 1 -2 22 2 -2 3 15 1 4 16 1 18 5 -2 6 8 3 7 17 2 8 10 1 9 16 2 9 21 1 10 19 1 11 14 1 11 16 1 12 13 1 12 18 1 13 20 1 14 22 1 15 17 1 17 19 1 18 22 1 20 19 -1 20 21 1 21 22 1', 'C17H25NO2', 275.203, 'C', 'np01_1201_4', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16108, 'Methyl 11-hydro-13-methoxycarbonylartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13][C:13001](=O)O[CH3:13003])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(CC(=O)OC)C(=O)OC', '[H][C@:39]12[CH:119]=[C:137]([CH3:24])[CH2:27][CH2:25][C@@:42]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:27][C@H:43]2[CH:44]([CH2:34][C:176](=O)O[CH3:52])[C:173](=O)O[CH3:52]', '24 25 H 17.27 -11.06 H 17.27 -7.43 C:13003 20.96 -16.43 C:12001 16.06 -15.02 C:14 13.53 -10.76 C:15 18.55 -6.45 O 18.55 -15.02 O 16.06 -12.22 C:5 16.06 -10.76 C:3 14.79 -8.57 C:9 19.76 -8.57 C:8 19.76 -10.03 C:2 16.06 -7.87 C:13 19.76 -12.93 O 20.96 -15.02 O 17.27 -14.32 C:4 14.79 -10.03 C:13001 19.76 -14.32 C:12 17.27 -12.93 C:10 18.55 -7.87 C:11 18.55 -12.22 C:7 18.55 -10.76 C:6 17.27 -10.03 C:1 17.27 -8.57 23 1 -2 24 2 -2 3 15 1 4 16 1 5 17 1 20 6 -2 7 18 2 8 19 2 9 17 2 9 23 1 10 13 1 10 17 1 11 12 1 11 20 1 12 22 1 13 24 1 14 18 1 14 21 1 15 18 1 16 19 1 19 21 1 20 24 1 22 21 -1 22 23 1 23 24 1', '24 25 H 17.27 -11.06 H 17.27 -7.43 C 20.96 -16.43 C 16.06 -15.02 C 13.53 -10.76 C 18.55 -6.45 O 18.55 -15.02 O 16.06 -12.22 C 16.06 -10.76 C 14.79 -8.57 C 19.76 -8.57 C 19.76 -10.03 C 16.06 -7.87 C 19.76 -12.93 O 20.96 -15.02 O 17.27 -14.32 C 14.79 -10.03 C 19.76 -14.32 C 17.27 -12.93 C 18.55 -7.87 C 18.55 -12.22 C 18.55 -10.76 C 17.27 -10.03 C 17.27 -8.57 23 1 -2 24 2 -2 3 15 1 4 16 1 5 17 1 20 6 -2 7 18 2 8 19 2 9 17 2 9 23 1 10 13 1 10 17 1 11 12 1 11 20 1 12 22 1 13 24 1 14 18 1 14 21 1 15 18 1 16 19 1 19 21 1 20 24 1 22 21 -1 22 23 1 23 24 1', '24 25 H 17.27 -11.06 H 17.27 -7.43 C:52 20.96 -16.43 C:52 16.06 -15.02 C:24 13.53 -10.76 C:20 18.55 -6.45 O 18.55 -15.02 O 16.06 -12.22 C:119 16.06 -10.76 C:27 14.79 -8.57 C:35 19.76 -8.57 C:27 19.76 -10.03 C:25 16.06 -7.87 C:34 19.76 -12.93 O 20.96 -15.02 O 17.27 -14.32 C:137 14.79 -10.03 C:176 19.76 -14.32 C:173 17.27 -12.93 C:28 18.55 -7.87 C:44 18.55 -12.22 C:43 18.55 -10.76 C:39 17.27 -10.03 C:42 17.27 -8.57 23 1 -2 24 2 -2 3 15 1 4 16 1 5 17 1 20 6 -2 7 18 2 8 19 2 9 17 2 9 23 1 10 13 1 10 17 1 11 12 1 11 20 1 12 22 1 13 24 1 14 18 1 14 21 1 15 18 1 16 19 1 19 21 1 20 24 1 22 21 -1 22 23 1 23 24 1', 'C18H28O4', 308.206, 'C', 'np01_1201_6', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16109, 'Methyl 11-hydro-13-methoxyartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13]O[CH3:13001])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(COC)C(=O)OC', '[H][C@:39]12[CH:119]=[C:136]([CH3:24])[CH2:27][CH2:26][C@@:41]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:27][C@H:42]2[CH:49]([CH2:72]O[CH3:59])[C:176](=O)O[CH3:52]', '22 23 H 17.27 -11.73 H 17.27 -8.10 C:13001 20.96 -15.70 C:12001 16.06 -15.70 C:14 13.53 -11.43 C:15 18.55 -7.12 O 16.06 -12.89 C:5 16.06 -11.43 C:3 14.79 -9.24 C:9 19.76 -9.24 C:8 19.76 -10.70 C:13 19.76 -13.61 C:2 16.06 -8.54 O 19.76 -15.00 O 17.27 -15.00 C:4 14.79 -10.70 C:12 17.27 -13.61 C:10 18.55 -8.54 C:11 18.55 -12.89 C:7 18.55 -11.43 C:6 17.27 -10.70 C:1 17.27 -9.24 21 1 -2 22 2 -2 3 14 1 4 15 1 5 16 1 18 6 -2 7 17 2 8 16 2 8 21 1 9 13 1 9 16 1 10 11 1 10 18 1 11 20 1 12 14 1 12 19 1 13 22 1 15 17 1 17 19 1 18 22 1 20 19 -1 20 21 1 21 22 1', '22 23 H 17.27 -11.73 H 17.27 -8.10 C 20.96 -15.70 C 16.06 -15.70 C 13.53 -11.43 C 18.55 -7.12 O 16.06 -12.89 C 16.06 -11.43 C 14.79 -9.24 C 19.76 -9.24 C 19.76 -10.70 C 19.76 -13.61 C 16.06 -8.54 O 19.76 -15.00 O 17.27 -15.00 C 14.79 -10.70 C 17.27 -13.61 C 18.55 -8.54 C 18.55 -12.89 C 18.55 -11.43 C 17.27 -10.70 C 17.27 -9.24 21 1 -2 22 2 -2 3 14 1 4 15 1 5 16 1 18 6 -2 7 17 2 8 16 2 8 21 1 9 13 1 9 16 1 10 11 1 10 18 1 11 20 1 12 14 1 12 19 1 13 22 1 15 17 1 17 19 1 18 22 1 20 19 -1 20 21 1 21 22 1', '22 23 H 17.27 -11.73 H 17.27 -8.10 C:59 20.96 -15.70 C:52 16.06 -15.70 C:24 13.53 -11.43 C:20 18.55 -7.12 O 16.06 -12.89 C:119 16.06 -11.43 C:27 14.79 -9.24 C:35 19.76 -9.24 C:27 19.76 -10.70 C:72 19.76 -13.61 C:26 16.06 -8.54 O 19.76 -15.00 O 17.27 -15.00 C:136 14.79 -10.70 C:176 17.27 -13.61 C:28 18.55 -8.54 C:49 18.55 -12.89 C:42 18.55 -11.43 C:39 17.27 -10.70 C:41 17.27 -9.24 21 1 -2 22 2 -2 3 14 1 4 15 1 5 16 1 18 6 -2 7 17 2 8 16 2 8 21 1 9 13 1 9 16 1 10 11 1 10 18 1 11 20 1 12 14 1 12 19 1 13 22 1 15 17 1 17 19 1 18 22 1 20 19 -1 20 21 1 21 22 1', 'C17H28O3', 280.196, 'C', 'np01_1201_7', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16110, 'Methyl 13-ethylthio-11-hydroartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13]S[CH2:13001][CH3:13002])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(CSCC)C(=O)OC', '[H][C@:40]12[CH:119]=[C:136]([CH3:24])[CH2:26][CH2:26][C@@:42]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:26][C@H:45]2[CH:37]([CH2:49]S[CH2:27][CH3:15])[C:175](=O)O[CH3:51]', '23 24 H 17.27 -11.06 H 17.27 -7.43 C:13002 20.95 -16.42 C:12001 16.06 -15.02 C:14 13.53 -10.76 C:15 18.55 -6.45 O 16.06 -12.22 C:5 16.06 -10.76 C:13001 20.95 -15.02 C:3 14.79 -8.57 C:9 19.76 -8.57 C:8 19.76 -10.02 C:2 16.06 -7.87 C:13 19.76 -12.93 O 17.27 -14.32 S 19.76 -14.32 C:4 14.79 -10.02 C:12 17.27 -12.93 C:10 18.55 -7.87 C:11 18.55 -12.22 C:7 18.55 -10.76 C:6 17.27 -10.02 C:1 17.27 -8.57 22 1 -2 23 2 -2 3 9 1 4 15 1 5 17 1 19 6 -2 7 18 2 8 17 2 8 22 1 9 16 1 10 13 1 10 17 1 11 12 1 11 19 1 12 21 1 13 23 1 14 16 1 14 20 1 15 18 1 18 20 1 19 23 1 21 20 -1 21 22 1 22 23 1', '23 24 H 17.27 -11.06 H 17.27 -7.43 C 20.95 -16.42 C 16.06 -15.02 C 13.53 -10.76 C 18.55 -6.45 O 16.06 -12.22 C 16.06 -10.76 C 20.95 -15.02 C 14.79 -8.57 C 19.76 -8.57 C 19.76 -10.02 C 16.06 -7.87 C 19.76 -12.93 O 17.27 -14.32 S 19.76 -14.32 C 14.79 -10.02 C 17.27 -12.93 C 18.55 -7.87 C 18.55 -12.22 C 18.55 -10.76 C 17.27 -10.02 C 17.27 -8.57 22 1 -2 23 2 -2 3 9 1 4 15 1 5 17 1 19 6 -2 7 18 2 8 17 2 8 22 1 9 16 1 10 13 1 10 17 1 11 12 1 11 19 1 12 21 1 13 23 1 14 16 1 14 20 1 15 18 1 18 20 1 19 23 1 21 20 -1 21 22 1 22 23 1', '23 24 H 17.27 -11.06 H 17.27 -7.43 C:15 20.95 -16.42 C:51 16.06 -15.02 C:24 13.53 -10.76 C:20 18.55 -6.45 O 16.06 -12.22 C:119 16.06 -10.76 C:27 20.95 -15.02 C:26 14.79 -8.57 C:35 19.76 -8.57 C:26 19.76 -10.02 C:26 16.06 -7.87 C:49 19.76 -12.93 O 17.27 -14.32 S 19.76 -14.32 C:136 14.79 -10.02 C:175 17.27 -12.93 C:28 18.55 -7.87 C:37 18.55 -12.22 C:45 18.55 -10.76 C:40 17.27 -10.02 C:42 17.27 -8.57 22 1 -2 23 2 -2 3 9 1 4 15 1 5 17 1 19 6 -2 7 18 2 8 17 2 8 22 1 9 16 1 10 13 1 10 17 1 11 12 1 11 19 1 12 21 1 13 23 1 14 16 1 14 20 1 15 18 1 18 20 1 19 23 1 21 20 -1 21 22 1 22 23 1', 'C18H30O2S', 310.273, 'C', 'np01_1201_8', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16111, 'Methyl 13-ethylsulfonyl-11-hydroartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13]S(=O)(=O)[CH2:13001][CH3:13002])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(CS(=O)(=O)CC)C(=O)OC', '[H][C@:39]12[CH:118]=[C:138]([CH3:24])[CH2:27][CH2:26][C@@:42]1([H])[C@H:27]([CH3:20])[CH2:35][CH2:27][C@H:44]2[CH:37]([CH2:52]S(=O)(=O)[CH2:49][CH3:7])[C:175](=O)O[CH3:52]', '25 26 H 17.26 -11.06 H 17.26 -7.43 C:13002 18.53 -16.40 C:12001 16.05 -15.00 C:14 13.51 -10.76 C:15 18.53 -6.45 O 16.05 -12.21 O 18.53 -15.00 O 20.94 -15.00 C:5 16.05 -10.76 C:13001 19.75 -15.70 C:3 14.77 -8.57 C:9 19.75 -8.57 C:8 19.75 -10.02 C:2 16.05 -7.87 C:13 19.75 -12.91 O 17.26 -14.30 C:4 14.77 -10.02 C:12 17.26 -12.91 C:10 18.53 -7.87 C:11 18.53 -12.21 C:7 18.53 -10.76 C:6 17.26 -10.02 C:1 17.26 -8.57 S 19.75 -14.30 23 1 -2 24 2 -2 3 11 1 4 17 1 5 18 1 20 6 -2 7 19 2 8 25 2 9 25 2 10 18 2 10 23 1 11 25 1 12 15 1 12 18 1 13 14 1 13 20 1 14 22 1 15 24 1 16 21 1 16 25 1 17 19 1 19 21 1 20 24 1 22 21 -1 22 23 1 23 24 1', '25 26 H 17.26 -11.06 H 17.26 -7.43 C 18.53 -16.40 C 16.05 -15.00 C 13.51 -10.76 C 18.53 -6.45 O 16.05 -12.21 O 18.53 -15.00 O 20.94 -15.00 C 16.05 -10.76 C 19.75 -15.70 C 14.77 -8.57 C 19.75 -8.57 C 19.75 -10.02 C 16.05 -7.87 C 19.75 -12.91 O 17.26 -14.30 C 14.77 -10.02 C 17.26 -12.91 C 18.53 -7.87 C 18.53 -12.21 C 18.53 -10.76 C 17.26 -10.02 C 17.26 -8.57 S 19.75 -14.30 23 1 -2 24 2 -2 3 11 1 4 17 1 5 18 1 20 6 -2 7 19 2 8 25 2 9 25 2 10 18 2 10 23 1 11 25 1 12 15 1 12 18 1 13 14 1 13 20 1 14 22 1 15 24 1 16 21 1 16 25 1 17 19 1 19 21 1 20 24 1 22 21 -1 22 23 1 23 24 1', '25 26 H 17.26 -11.06 H 17.26 -7.43 C:7 18.53 -16.40 C:52 16.05 -15.00 C:24 13.51 -10.76 C:20 18.53 -6.45 O 16.05 -12.21 O 18.53 -15.00 O 20.94 -15.00 C:118 16.05 -10.76 C:49 19.75 -15.70 C:27 14.77 -8.57 C:35 19.75 -8.57 C:27 19.75 -10.02 C:26 16.05 -7.87 C:52 19.75 -12.91 O 17.26 -14.30 C:138 14.77 -10.02 C:175 17.26 -12.91 C:27 18.53 -7.87 C:37 18.53 -12.21 C:44 18.53 -10.76 C:39 17.26 -10.02 C:42 17.26 -8.57 S 19.75 -14.30 23 1 -2 24 2 -2 3 11 1 4 17 1 5 18 1 20 6 -2 7 19 2 8 25 2 9 25 2 10 18 2 10 23 1 11 25 1 12 15 1 12 18 1 13 14 1 13 20 1 14 22 1 15 24 1 16 21 1 16 25 1 17 19 1 19 21 1 20 24 1 22 21 -1 22 23 1 23 24 1', 'C18H30O4S', 342.272, 'C', 'np01_1201_9', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16112, 'Methyl 11-hydro-13-nitromethylartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13][CH2:13001]N(=O)=O)[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(CCN(=O)=O)C(=O)OC', '[H][C@:37]12[CH:119]=[C:137]([CH3:24])[CH2:27][CH2:26][C@@:42]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:27][C@H:45]2[CH:35]([CH2:27][CH2:73]N(=O)=O)[C:176](=O)O[CH3:52]', '24 25 H 16.65 -11.06 H 16.65 -7.43 C:12001 15.44 -15.00 C:14 12.90 -10.76 C:15 17.92 -6.45 O 15.44 -12.21 O 20.35 -16.40 O 21.56 -14.30 C:5 15.44 -10.76 C:3 14.16 -8.57 C:9 19.14 -8.57 C:8 19.14 -10.02 C:13 19.14 -12.91 C:13001 19.14 -14.30 C:2 15.44 -7.87 O 16.65 -14.30 C:4 14.16 -10.02 C:12 16.65 -12.91 C:10 17.92 -7.87 C:11 17.92 -12.21 C:7 17.92 -10.76 N 20.35 -15.00 C:6 16.65 -10.02 C:1 16.65 -8.57 23 1 -2 24 2 -2 3 16 1 4 17 1 19 5 -2 6 18 2 7 22 2 8 22 2 9 17 2 9 23 1 10 15 1 10 17 1 11 12 1 11 19 1 12 21 1 13 14 1 13 20 1 14 22 1 15 24 1 16 18 1 18 20 1 19 24 1 21 20 -1 21 23 1 23 24 1', '24 25 H 16.65 -11.06 H 16.65 -7.43 C 15.44 -15.00 C 12.90 -10.76 C 17.92 -6.45 O 15.44 -12.21 O 20.35 -16.40 O 21.56 -14.30 C 15.44 -10.76 C 14.16 -8.57 C 19.14 -8.57 C 19.14 -10.02 C 19.14 -12.91 C 19.14 -14.30 C 15.44 -7.87 O 16.65 -14.30 C 14.16 -10.02 C 16.65 -12.91 C 17.92 -7.87 C 17.92 -12.21 C 17.92 -10.76 N 20.35 -15.00 C 16.65 -10.02 C 16.65 -8.57 23 1 -2 24 2 -2 3 16 1 4 17 1 19 5 -2 6 18 2 7 22 2 8 22 2 9 17 2 9 23 1 10 15 1 10 17 1 11 12 1 11 19 1 12 21 1 13 14 1 13 20 1 14 22 1 15 24 1 16 18 1 18 20 1 19 24 1 21 20 -1 21 23 1 23 24 1', '24 25 H 16.65 -11.06 H 16.65 -7.43 C:52 15.44 -15.00 C:24 12.90 -10.76 C:20 17.92 -6.45 O 15.44 -12.21 O 20.35 -16.40 O 21.56 -14.30 C:119 15.44 -10.76 C:27 14.16 -8.57 C:35 19.14 -8.57 C:27 19.14 -10.02 C:27 19.14 -12.91 C:73 19.14 -14.30 C:26 15.44 -7.87 O 16.65 -14.30 C:137 14.16 -10.02 C:176 16.65 -12.91 C:28 17.92 -7.87 C:35 17.92 -12.21 C:45 17.92 -10.76 N 20.35 -15.00 C:37 16.65 -10.02 C:42 16.65 -8.57 23 1 -2 24 2 -2 3 16 1 4 17 1 19 5 -2 6 18 2 7 22 2 8 22 2 9 17 2 9 23 1 10 15 1 10 17 1 11 12 1 11 19 1 12 21 1 13 14 1 13 20 1 14 22 1 15 24 1 16 18 1 18 20 1 19 24 1 21 20 -1 21 23 1 23 24 1', 'C17H27NO4', 309.202, 'C', 'np01_1201_10', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16113, 'Methyl 11-hydro-13-(1-nitroethyl)artemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[CH2:3][CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH2:13][CH:13001]([CH3:13002])N(=O)=O)[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)CC[C@@]1([H])[C@H](C)CC[C@H]2C(CC(C)N(=O)=O)C(=O)OC', '[H][C@:37]12[CH:119]=[C:137]([CH3:24])[CH2:27][CH2:26][C@@:42]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:27][C@H:45]2[CH:35]([CH2:27][CH:82]([CH3:21])N(=O)=O)[C:175](=O)O[CH3:52]', '25 26 H 16.68 -11.06 H 16.68 -7.43 C:12001 15.48 -14.99 C:14 12.94 -10.76 C:13002 17.97 -14.99 C:15 17.97 -6.45 O 15.48 -12.20 O 21.60 -14.29 O 20.39 -16.39 C:5 15.48 -10.76 C:3 14.20 -8.57 C:9 19.18 -8.57 C:8 19.18 -10.02 C:2 15.48 -7.87 C:13 19.18 -12.90 O 16.68 -14.29 C:4 14.20 -10.02 C:12 16.68 -12.90 C:13001 19.18 -14.29 C:10 17.97 -7.87 C:11 17.97 -12.20 C:7 17.97 -10.76 N 20.39 -14.99 C:6 16.68 -10.02 C:1 16.68 -8.57 24 1 -2 25 2 -2 3 16 1 4 17 1 5 19 1 20 6 -2 7 18 2 8 23 2 9 23 2 10 17 2 10 24 1 11 14 1 11 17 1 12 13 1 12 20 1 13 22 1 14 25 1 15 19 1 15 21 1 16 18 1 18 21 1 19 23 1 20 25 1 22 21 -1 22 24 1 24 25 1', '25 26 H 16.68 -11.06 H 16.68 -7.43 C 15.48 -14.99 C 12.94 -10.76 C 17.97 -14.99 C 17.97 -6.45 O 15.48 -12.20 O 21.60 -14.29 O 20.39 -16.39 C 15.48 -10.76 C 14.20 -8.57 C 19.18 -8.57 C 19.18 -10.02 C 15.48 -7.87 C 19.18 -12.90 O 16.68 -14.29 C 14.20 -10.02 C 16.68 -12.90 C 19.18 -14.29 C 17.97 -7.87 C 17.97 -12.20 C 17.97 -10.76 N 20.39 -14.99 C 16.68 -10.02 C 16.68 -8.57 24 1 -2 25 2 -2 3 16 1 4 17 1 5 19 1 20 6 -2 7 18 2 8 23 2 9 23 2 10 17 2 10 24 1 11 14 1 11 17 1 12 13 1 12 20 1 13 22 1 14 25 1 15 19 1 15 21 1 16 18 1 18 21 1 19 23 1 20 25 1 22 21 -1 22 24 1 24 25 1', '25 26 H 16.68 -11.06 H 16.68 -7.43 C:52 15.48 -14.99 C:24 12.94 -10.76 C:21 17.97 -14.99 C:20 17.97 -6.45 O 15.48 -12.20 O 21.60 -14.29 O 20.39 -16.39 C:119 15.48 -10.76 C:27 14.20 -8.57 C:35 19.18 -8.57 C:27 19.18 -10.02 C:26 15.48 -7.87 C:27 19.18 -12.90 O 16.68 -14.29 C:137 14.20 -10.02 C:175 16.68 -12.90 C:82 19.18 -14.29 C:28 17.97 -7.87 C:35 17.97 -12.20 C:45 17.97 -10.76 N 20.39 -14.99 C:37 16.68 -10.02 C:42 16.68 -8.57 24 1 -2 25 2 -2 3 16 1 4 17 1 5 19 1 20 6 -2 7 18 2 8 23 2 9 23 2 10 17 2 10 24 1 11 14 1 11 17 1 12 13 1 12 20 1 13 22 1 14 25 1 15 19 1 15 21 1 16 18 1 18 21 1 19 23 1 20 25 1 22 21 -1 22 24 1 24 25 1', 'C18H29NO4', 323.213, 'C', 'np01_1201_11', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16114, 'Methyl (3R)-3-hydroxyartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[C@H:3](O)[CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[C:11](=[CH2:13])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)[C@H](O)C[C@@]1([H])[C@H](C)CC[C@H]2C(=C)C(=O)OC', '[H][C@:38]12[CH:124]=[C:137]([CH3:19])[C@H:68](O)[CH2:37][C@@:44]1([H])[C@H:29]([CH3:20])[CH2:35][CH2:26][C@H:42]2[C:143](=[CH2:124])[C:168](=O)O[CH3:52]', '21 22 H 17.87 -11.74 H 17.87 -8.14 C:13 20.38 -13.59 C:12001 16.66 -15.68 C:14 14.15 -11.44 C:15 19.14 -7.12 O 16.66 -12.89 O 14.15 -8.57 C:5 16.66 -11.44 C:9 20.38 -9.27 C:8 20.38 -10.71 C:2 16.66 -8.57 O 17.87 -14.98 C:4 15.41 -10.71 C:11 19.14 -12.89 C:12 17.87 -13.59 C:10 19.14 -8.57 C:3 15.41 -9.27 C:7 19.14 -11.44 C:6 17.87 -10.71 C:1 17.87 -9.27 20 1 -2 21 2 -2 3 15 2 4 13 1 5 14 1 17 6 -2 7 16 2 18 8 -2 9 14 2 9 20 1 10 11 1 10 17 1 11 19 1 12 18 1 12 21 1 13 16 1 14 18 1 15 16 1 19 15 -1 17 21 1 19 20 1 20 21 1', '21 22 H 17.87 -11.74 H 17.87 -8.14 C 20.38 -13.59 C 16.66 -15.68 C 14.15 -11.44 C 19.14 -7.12 O 16.66 -12.89 O 14.15 -8.57 C 16.66 -11.44 C 20.38 -9.27 C 20.38 -10.71 C 16.66 -8.57 O 17.87 -14.98 C 15.41 -10.71 C 19.14 -12.89 C 17.87 -13.59 C 19.14 -8.57 C 15.41 -9.27 C 19.14 -11.44 C 17.87 -10.71 C 17.87 -9.27 20 1 -2 21 2 -2 3 15 2 4 13 1 5 14 1 17 6 -2 7 16 2 18 8 -2 9 14 2 9 20 1 10 11 1 10 17 1 11 19 1 12 18 1 12 21 1 13 16 1 14 18 1 15 16 1 19 15 -1 17 21 1 19 20 1 20 21 1', '21 22 H 17.87 -11.74 H 17.87 -8.14 C:124 20.38 -13.59 C:52 16.66 -15.68 C:19 14.15 -11.44 C:20 19.14 -7.12 O 16.66 -12.89 O 14.15 -8.57 C:124 16.66 -11.44 C:35 20.38 -9.27 C:26 20.38 -10.71 C:37 16.66 -8.57 O 17.87 -14.98 C:137 15.41 -10.71 C:143 19.14 -12.89 C:168 17.87 -13.59 C:29 19.14 -8.57 C:68 15.41 -9.27 C:42 19.14 -11.44 C:38 17.87 -10.71 C:44 17.87 -9.27 20 1 -2 21 2 -2 3 15 2 4 13 1 5 14 1 17 6 -2 7 16 2 18 8 -2 9 14 2 9 20 1 10 11 1 10 17 1 11 19 1 12 18 1 12 21 1 13 16 1 14 18 1 15 16 1 19 15 -1 17 21 1 19 20 1 20 21 1', 'C16H24O3', 264.185, 'C', 'np01_1201_12', 4041, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16115, 'Methyl (3R)-3-acetoxyartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[C@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[C:11](=[CH2:13])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)[C@H](OC(C)=O)C[C@@]1([H])[C@H](C)CC[C@H]2C(=C)C(=O)OC', '[H][C@:38]12[CH:125]=[C:133]([CH3:19])[C@H:71](O[C:168]([CH3:21])=O)[CH2:32][C@@:44]1([H])[C@H:29]([CH3:20])[CH2:35][CH2:26][C@H:42]2[C:143](=[CH2:126])[C:171](=O)O[CH3:52]', '24 25 H 18.45 -12.12 H 18.45 -8.51 C:13 20.95 -13.99 C:12001 17.24 -16.08 C:3002 13.56 -6.78 C:14 14.71 -11.82 C:15 19.72 -7.53 O 15.92 -6.84 O 17.24 -13.28 C:5 17.24 -11.82 C:9 20.95 -9.64 C:8 20.95 -11.09 C:2 17.24 -8.94 O 18.45 -15.38 O 14.71 -8.94 C:3001 14.71 -7.53 C:4 15.97 -11.09 C:11 19.72 -13.28 C:12 18.45 -13.99 C:10 19.72 -8.94 C:3 15.97 -9.64 C:7 19.72 -11.82 C:6 18.45 -11.09 C:1 18.45 -9.64 23 1 -2 24 2 -2 3 18 2 4 14 1 5 16 1 6 17 1 20 7 -2 8 16 2 9 19 2 10 17 2 10 23 1 11 12 1 11 20 1 12 22 1 13 21 1 13 24 1 14 19 1 15 16 1 21 15 -2 17 21 1 18 19 1 22 18 -1 20 24 1 22 23 1 23 24 1', '24 25 H 18.45 -12.12 H 18.45 -8.51 C 20.95 -13.99 C 17.24 -16.08 C 13.56 -6.78 C 14.71 -11.82 C 19.72 -7.53 O 15.92 -6.84 O 17.24 -13.28 C 17.24 -11.82 C 20.95 -9.64 C 20.95 -11.09 C 17.24 -8.94 O 18.45 -15.38 O 14.71 -8.94 C 14.71 -7.53 C 15.97 -11.09 C 19.72 -13.28 C 18.45 -13.99 C 19.72 -8.94 C 15.97 -9.64 C 19.72 -11.82 C 18.45 -11.09 C 18.45 -9.64 23 1 -2 24 2 -2 3 18 2 4 14 1 5 16 1 6 17 1 20 7 -2 8 16 2 9 19 2 10 17 2 10 23 1 11 12 1 11 20 1 12 22 1 13 21 1 13 24 1 14 19 1 15 16 1 21 15 -2 17 21 1 18 19 1 22 18 -1 20 24 1 22 23 1 23 24 1', '24 25 H 18.45 -12.12 H 18.45 -8.51 C:126 20.95 -13.99 C:52 17.24 -16.08 C:21 13.56 -6.78 C:19 14.71 -11.82 C:20 19.72 -7.53 O 15.92 -6.84 O 17.24 -13.28 C:125 17.24 -11.82 C:35 20.95 -9.64 C:26 20.95 -11.09 C:32 17.24 -8.94 O 18.45 -15.38 O 14.71 -8.94 C:168 14.71 -7.53 C:133 15.97 -11.09 C:143 19.72 -13.28 C:171 18.45 -13.99 C:29 19.72 -8.94 C:71 15.97 -9.64 C:42 19.72 -11.82 C:38 18.45 -11.09 C:44 18.45 -9.64 23 1 -2 24 2 -2 3 18 2 4 14 1 5 16 1 6 17 1 20 7 -2 8 16 2 9 19 2 10 17 2 10 23 1 11 12 1 11 20 1 12 22 1 13 21 1 13 24 1 14 19 1 15 16 1 21 15 -2 17 21 1 18 19 1 22 18 -1 20 24 1 22 23 1 23 24 1', 'C18H26O4', 306.206, 'C', 'np01_1201_13', 4041, '', 'he intercambiado C14 con C15', '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
(16116, 'Methyl (3R)-3-acetoxy-11,13-dihydroartemisinate', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:6]12[CH:5]=[C:4]([CH3:14])[C@H:3](O[C:3001]([CH3:3002])=O)[CH2:2][C@@:1]1([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@H:7]2[CH:11]([CH3:13])[C:12](=O)O[CH3:12001]', '[H][C@]12C=C(C)[C@H](OC(C)=O)C[C@@]1([H])[C@H](C)CC[C@H]2C(C)C(=O)OC', '[H][C@:40]12[CH:125]=[C:134]([CH3:20])[C@H:71](O[C:171]([CH3:21])=O)[CH2:33][C@@:44]1([H])[C@H:28]([CH3:20])[CH2:35][CH2:25][C@H:42]2[CH:35]([CH3:15])[C:175](=O)O[CH3:52]', '24 25 H 18.42 -12.12 H 18.42 -8.49 C:12001 17.22 -16.06 C:3002 13.54 -6.82 C:14 14.68 -11.83 C:15 19.72 -7.53 C:13 20.93 -13.97 O 15.94 -6.82 O 17.22 -13.27 C:5 17.22 -11.83 C:9 20.93 -9.64 C:8 20.93 -11.09 C:2 17.22 -8.93 O 18.42 -15.36 O 14.74 -8.93 C:3001 14.74 -7.53 C:4 15.94 -11.09 C:12 18.42 -13.97 C:10 19.72 -8.93 C:11 19.72 -13.27 C:3 15.94 -9.64 C:7 19.72 -11.83 C:6 18.42 -11.09 C:1 18.42 -9.64 23 1 -2 24 2 -2 3 14 1 4 16 1 5 17 1 19 6 -2 7 20 1 8 16 2 9 18 2 10 17 2 10 23 1 11 12 1 11 19 1 12 22 1 13 21 1 13 24 1 14 18 1 15 16 1 21 15 -2 17 21 1 18 20 1 19 24 1 22 20 -1 22 23 1 23 24 1', '24 25 H 18.42 -12.12 H 18.42 -8.49 C 17.22 -16.06 C 13.54 -6.82 C 14.68 -11.83 C 19.72 -7.53 C 20.93 -13.97 O 15.94 -6.82 O 17.22 -13.27 C 17.22 -11.83 C 20.93 -9.64 C 20.93 -11.09 C 17.22 -8.93 O 18.42 -15.36 O 14.74 -8.93 C 14.74 -7.53 C 15.94 -11.09 C 18.42 -13.97 C 19.72 -8.93 C 19.72 -13.27 C 15.94 -9.64 C 19.72 -11.83 C 18.42 -11.09 C 18.42 -9.64 23 1 -2 24 2 -2 3 14 1 4 16 1 5 17 1 19 6 -2 7 20 1 8 16 2 9 18 2 10 17 2 10 23 1 11 12 1 11 19 1 12 22 1 13 21 1 13 24 1 14 18 1 15 16 1 21 15 -2 17 21 1 18 20 1 19 24 1 22 20 -1 22 23 1 23 24 1', '24 25 H 18.42 -12.12 H 18.42 -8.49 C:52 17.22 -16.06 C:21 13.54 -6.82 C:20 14.68 -11.83 C:20 19.72 -7.53 C:15 20.93 -13.97 O 15.94 -6.82 O 17.22 -13.27 C:125 17.22 -11.83 C:35 20.93 -9.64 C:25 20.93 -11.09 C:33 17.22 -8.93 O 18.42 -15.36 O 14.74 -8.93 C:171 14.74 -7.53 C:134 15.94 -11.09 C:175 18.42 -13.97 C:28 19.72 -8.93 C:35 19.72 -13.27 C:71 15.94 -9.64 C:42 19.72 -11.83 C:40 18.42 -11.09 C:44 18.42 -9.64 23 1 -2 24 2 -2 3 14 1 4 16 1 5 17 1 19 6 -2 7 20 1 8 16 2 9 18 2 10 17 2 10 23 1 11 12 1 11 19 1 12 22 1 13 21 1 13 24 1 14 18 1 15 16 1 21 15 -2 17 21 1 18 20 1 19 24 1 22 20 -1 22 23 1 23 24 1', 'C18H28O4', 308.206, 'C', 'np01_1201_15', 4041, '', '', '1', 47, NULL, NULL),
(16117, '13-Cyanoartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH2:13][C:13001]#N)[C@:7]2([H])[CH2:8][CH2:9][C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](CC#N)[C@]2([H])CC[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:37][C@:106]4([CH3:20])OO[C@:79]12[C@H:94](O[C:168](=O)[C@H:36]([CH2:15][C:117]#N)[C@:42]2([H])[CH2:23][CH2:33][C@H:38]3[CH3:25])O4', '24 27 H 18.17 -7.84 H 18.66 -11.67 C:15 19.44 -6.81 C:14 13.78 -10.21 N 20.73 -16.06 O 18.17 -14.65 C:13001 20.73 -14.65 C:13 20.73 -13.26 C:9 20.73 -8.93 C:8 20.73 -10.39 C:3 15.72 -8.40 C:2 17.10 -8.11 O 16.98 -12.55 O 16.67 -10.39 O 17.43 -9.21 O 15.72 -10.93 C:12 18.17 -13.26 C:10 19.44 -8.24 C:11 19.44 -12.55 C:5 16.98 -11.17 C:4 15.12 -9.66 C:1 18.17 -8.93 C:7 19.44 -11.11 C:6 18.17 -10.39 22 1 -2 23 2 -2 18 3 -2 21 4 -1 5 7 3 6 17 2 7 8 1 19 8 -1 9 10 1 9 18 1 10 23 1 11 12 1 11 21 1 12 22 1 13 17 1 20 13 -2 14 15 1 14 21 1 24 15 -2 16 20 1 16 21 1 17 19 1 18 22 1 19 23 1 20 24 1 22 24 1 23 24 1', '24 27 H 18.17 -7.84 H 18.66 -11.67 C 19.44 -6.81 C 13.78 -10.21 N 20.73 -16.06 O 18.17 -14.65 C 20.73 -14.65 C 20.73 -13.26 C 20.73 -8.93 C 20.73 -10.39 C 15.72 -8.40 C 17.10 -8.11 O 16.98 -12.55 O 16.67 -10.39 O 17.43 -9.21 O 15.72 -10.93 C 18.17 -13.26 C 19.44 -8.24 C 19.44 -12.55 C 16.98 -11.17 C 15.12 -9.66 C 18.17 -8.93 C 19.44 -11.11 C 18.17 -10.39 22 1 -2 23 2 -2 18 3 -2 21 4 -1 5 7 3 6 17 2 7 8 1 19 8 -1 9 10 1 9 18 1 10 23 1 11 12 1 11 21 1 12 22 1 13 17 1 20 13 -2 14 15 1 14 21 1 24 15 -2 16 20 1 16 21 1 17 19 1 18 22 1 19 23 1 20 24 1 22 24 1 23 24 1', '24 27 H 18.17 -7.84 H 18.66 -11.67 C:25 19.44 -6.81 C:20 13.78 -10.21 N 20.73 -16.06 O 18.17 -14.65 C:117 20.73 -14.65 C:15 20.73 -13.26 C:33 20.73 -8.93 C:23 20.73 -10.39 C:37 15.72 -8.40 C:25 17.10 -8.11 O 16.98 -12.55 O 16.67 -10.39 O 17.43 -9.21 O 15.72 -10.93 C:168 18.17 -13.26 C:38 19.44 -8.24 C:36 19.44 -12.55 C:94 16.98 -11.17 C:106 15.12 -9.66 C:50 18.17 -8.93 C:42 19.44 -11.11 C:79 18.17 -10.39 22 1 -2 23 2 -2 18 3 -2 21 4 -1 5 7 3 6 17 2 7 8 1 19 8 -1 9 10 1 9 18 1 10 23 1 11 12 1 11 21 1 12 22 1 13 17 1 20 13 -2 14 15 1 14 21 1 24 15 -2 16 20 1 16 21 1 17 19 1 18 22 1 19 23 1 20 24 1 22 24 1 23 24 1', 'C16H21NO5', 307.191, 'C', 'np01_1201_16', 4041, '', '', '1', 47, NULL, NULL),
(16118, '13-Methoxycarbonylartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH2:13][C:13001](=O)O[CH3:13002])[C@:7]2([H])[CH2:8][CH2:9][C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](CC(=O)OC)[C@]2([H])CC[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:36][C@:106]4([CH3:20])OO[C@:79]12[C@H:94](O[C:172](=O)[C@H:36]([CH2:36][C:170](=O)O[CH3:52])[C@:44]2([H])[CH2:24][CH2:34][C@H:38]3[CH3:26])O4', '26 29 H 17.57 -7.46 H 18.06 -11.29 C:13002 21.35 -16.37 C:15 18.84 -6.43 C:14 13.17 -9.83 O 18.92 -14.97 O 17.57 -14.27 C:9 20.13 -8.55 C:8 20.13 -10.01 C:3 15.12 -8.02 C:2 16.50 -7.73 C:13 20.13 -12.88 O 21.35 -14.97 O 16.07 -10.01 O 16.83 -8.83 O 16.38 -12.17 O 15.12 -10.55 C:13001 20.13 -14.27 C:12 17.57 -12.88 C:10 18.84 -7.86 C:11 18.84 -12.17 C:5 16.38 -10.79 C:4 14.52 -9.28 C:1 17.57 -8.55 C:7 18.84 -10.73 C:6 17.57 -10.01 24 1 -2 25 2 -2 3 13 1 20 4 -2 23 5 -1 6 18 2 7 19 2 8 9 1 8 20 1 9 25 1 10 11 1 10 23 1 11 24 1 12 18 1 21 12 -1 13 18 1 14 15 1 14 23 1 26 15 -2 16 19 1 22 16 -2 17 22 1 17 23 1 19 21 1 20 24 1 21 25 1 22 26 1 24 26 1 25 26 1', '26 29 H 17.57 -7.46 H 18.06 -11.29 C 21.35 -16.37 C 18.84 -6.43 C 13.17 -9.83 O 18.92 -14.97 O 17.57 -14.27 C 20.13 -8.55 C 20.13 -10.01 C 15.12 -8.02 C 16.50 -7.73 C 20.13 -12.88 O 21.35 -14.97 O 16.07 -10.01 O 16.83 -8.83 O 16.38 -12.17 O 15.12 -10.55 C 20.13 -14.27 C 17.57 -12.88 C 18.84 -7.86 C 18.84 -12.17 C 16.38 -10.79 C 14.52 -9.28 C 17.57 -8.55 C 18.84 -10.73 C 17.57 -10.01 24 1 -2 25 2 -2 3 13 1 20 4 -2 23 5 -1 6 18 2 7 19 2 8 9 1 8 20 1 9 25 1 10 11 1 10 23 1 11 24 1 12 18 1 21 12 -1 13 18 1 14 15 1 14 23 1 26 15 -2 16 19 1 22 16 -2 17 22 1 17 23 1 19 21 1 20 24 1 21 25 1 22 26 1 24 26 1 25 26 1', '26 29 H 17.57 -7.46 H 18.06 -11.29 C:52 21.35 -16.37 C:26 18.84 -6.43 C:20 13.17 -9.83 O 18.92 -14.97 O 17.57 -14.27 C:34 20.13 -8.55 C:24 20.13 -10.01 C:36 15.12 -8.02 C:25 16.50 -7.73 C:36 20.13 -12.88 O 21.35 -14.97 O 16.07 -10.01 O 16.83 -8.83 O 16.38 -12.17 O 15.12 -10.55 C:170 20.13 -14.27 C:172 17.57 -12.88 C:38 18.84 -7.86 C:36 18.84 -12.17 C:94 16.38 -10.79 C:106 14.52 -9.28 C:50 17.57 -8.55 C:44 18.84 -10.73 C:79 17.57 -10.01 24 1 -2 25 2 -2 3 13 1 20 4 -2 23 5 -1 6 18 2 7 19 2 8 9 1 8 20 1 9 25 1 10 11 1 10 23 1 11 24 1 12 18 1 21 12 -1 13 18 1 14 15 1 14 23 1 26 15 -2 16 19 1 22 16 -2 17 22 1 17 23 1 19 21 1 20 24 1 21 25 1 22 26 1 24 26 1 25 26 1', 'C17H24O7', 340.194, 'C', 'np01_1201_17', 4041, '', '', '1', 47, NULL, NULL),
(16119, '13-Methoxyartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH2:13]O[CH3:13001])[C@:7]2([H])[CH2:8][CH2:9][C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](COC)[C@]2([H])CC[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:36][C@:105]4([CH3:20])OO[C@:79]12[C@H:94](O[C:169](=O)[C@H:38]([CH2:69]O[CH3:59])[C@:41]2([H])[CH2:23][CH2:34][C@H:38]3[CH3:25])O4', '24 27 H 17.57 -8.19 H 18.06 -12.02 C:13001 21.35 -15.70 C:15 18.84 -7.16 C:14 13.17 -10.56 O 17.57 -15.00 C:9 20.13 -9.28 C:8 20.13 -10.74 C:3 15.12 -8.75 C:2 16.50 -8.46 C:13 20.13 -13.61 O 20.13 -15.00 O 16.07 -10.74 O 16.83 -9.56 O 16.38 -12.90 O 15.12 -11.28 C:12 17.57 -13.61 C:10 18.84 -8.59 C:11 18.84 -12.90 C:5 16.38 -11.52 C:4 14.52 -10.01 C:1 17.57 -9.28 C:7 18.84 -11.46 C:6 17.57 -10.74 22 1 -2 23 2 -2 3 12 1 18 4 -2 21 5 -1 6 17 2 7 8 1 7 18 1 8 23 1 9 10 1 9 21 1 10 22 1 11 12 1 19 11 -1 13 14 1 13 21 1 24 14 -2 15 17 1 20 15 -2 16 20 1 16 21 1 17 19 1 18 22 1 19 23 1 20 24 1 22 24 1 23 24 1', '24 27 H 17.57 -8.19 H 18.06 -12.02 C 21.35 -15.70 C 18.84 -7.16 C 13.17 -10.56 O 17.57 -15.00 C 20.13 -9.28 C 20.13 -10.74 C 15.12 -8.75 C 16.50 -8.46 C 20.13 -13.61 O 20.13 -15.00 O 16.07 -10.74 O 16.83 -9.56 O 16.38 -12.90 O 15.12 -11.28 C 17.57 -13.61 C 18.84 -8.59 C 18.84 -12.90 C 16.38 -11.52 C 14.52 -10.01 C 17.57 -9.28 C 18.84 -11.46 C 17.57 -10.74 22 1 -2 23 2 -2 3 12 1 18 4 -2 21 5 -1 6 17 2 7 8 1 7 18 1 8 23 1 9 10 1 9 21 1 10 22 1 11 12 1 19 11 -1 13 14 1 13 21 1 24 14 -2 15 17 1 20 15 -2 16 20 1 16 21 1 17 19 1 18 22 1 19 23 1 20 24 1 22 24 1 23 24 1', '24 27 H 17.57 -8.19 H 18.06 -12.02 C:59 21.35 -15.70 C:25 18.84 -7.16 C:20 13.17 -10.56 O 17.57 -15.00 C:34 20.13 -9.28 C:23 20.13 -10.74 C:36 15.12 -8.75 C:25 16.50 -8.46 C:69 20.13 -13.61 O 20.13 -15.00 O 16.07 -10.74 O 16.83 -9.56 O 16.38 -12.90 O 15.12 -11.28 C:169 17.57 -13.61 C:38 18.84 -8.59 C:38 18.84 -12.90 C:94 16.38 -11.52 C:105 14.52 -10.01 C:50 17.57 -9.28 C:41 18.84 -11.46 C:79 17.57 -10.74 22 1 -2 23 2 -2 3 12 1 18 4 -2 21 5 -1 6 17 2 7 8 1 7 18 1 8 23 1 9 10 1 9 21 1 10 22 1 11 12 1 19 11 -1 13 14 1 13 21 1 24 14 -2 15 17 1 20 15 -2 16 20 1 16 21 1 17 19 1 18 22 1 19 23 1 20 24 1 22 24 1 23 24 1', 'C16H24O6', 312.183, 'C', 'np01_1201_18', 4041, '', '', '1', 47, NULL, NULL),
(16121, '13-Nitromethylartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH2:13][CH2:13001]N(=O)=O)[C@:7]2([H])[CH2:8][CH2:9][C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](CCN(=O)=O)[C@]2([H])CC[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:36][C@:106]4([CH3:20])OO[C@:79]12[C@H:94](O[C:171](=O)[C@H:36]([CH2:26][CH2:74]N(=O)=O)[C@:45]2([H])[CH2:24][CH2:33][C@H:37]3[CH3:25])O4', '26 29 H 16.92 -7.50 H 17.41 -11.32 C:15 18.19 -6.47 C:14 12.53 -9.87 O 16.92 -14.30 O 20.72 -16.41 O 21.93 -14.30 C:13 19.50 -12.91 C:9 19.50 -8.59 C:13001 19.50 -14.30 C:8 19.50 -10.05 C:3 14.48 -8.06 C:2 15.85 -7.77 O 15.73 -12.20 O 15.42 -10.05 O 16.18 -8.87 O 14.48 -10.58 C:12 16.92 -12.91 C:10 18.19 -7.90 C:11 18.19 -12.20 C:5 15.73 -10.82 N 20.72 -15.01 C:4 13.88 -9.32 C:1 16.92 -8.59 C:7 18.19 -10.76 C:6 16.92 -10.05 24 1 -2 25 2 -2 19 3 -2 23 4 -1 5 18 2 6 22 2 7 22 2 8 10 1 20 8 -1 9 11 1 9 19 1 10 22 1 11 25 1 12 13 1 12 23 1 13 24 1 14 18 1 21 14 -2 15 16 1 15 23 1 26 16 -2 17 21 1 17 23 1 18 20 1 19 24 1 20 25 1 21 26 1 24 26 1 25 26 1', '26 29 H 16.92 -7.50 H 17.41 -11.32 C 18.19 -6.47 C 12.53 -9.87 O 16.92 -14.30 O 20.72 -16.41 O 21.93 -14.30 C 19.50 -12.91 C 19.50 -8.59 C 19.50 -14.30 C 19.50 -10.05 C 14.48 -8.06 C 15.85 -7.77 O 15.73 -12.20 O 15.42 -10.05 O 16.18 -8.87 O 14.48 -10.58 C 16.92 -12.91 C 18.19 -7.90 C 18.19 -12.20 C 15.73 -10.82 N 20.72 -15.01 C 13.88 -9.32 C 16.92 -8.59 C 18.19 -10.76 C 16.92 -10.05 24 1 -2 25 2 -2 19 3 -2 23 4 -1 5 18 2 6 22 2 7 22 2 8 10 1 20 8 -1 9 11 1 9 19 1 10 22 1 11 25 1 12 13 1 12 23 1 13 24 1 14 18 1 21 14 -2 15 16 1 15 23 1 26 16 -2 17 21 1 17 23 1 18 20 1 19 24 1 20 25 1 21 26 1 24 26 1 25 26 1', '26 29 H 16.92 -7.50 H 17.41 -11.32 C:25 18.19 -6.47 C:20 12.53 -9.87 O 16.92 -14.30 O 20.72 -16.41 O 21.93 -14.30 C:26 19.50 -12.91 C:33 19.50 -8.59 C:74 19.50 -14.30 C:24 19.50 -10.05 C:36 14.48 -8.06 C:25 15.85 -7.77 O 15.73 -12.20 O 15.42 -10.05 O 16.18 -8.87 O 14.48 -10.58 C:171 16.92 -12.91 C:37 18.19 -7.90 C:36 18.19 -12.20 C:94 15.73 -10.82 N 20.72 -15.01 C:106 13.88 -9.32 C:50 16.92 -8.59 C:45 18.19 -10.76 C:79 16.92 -10.05 24 1 -2 25 2 -2 19 3 -2 23 4 -1 5 18 2 6 22 2 7 22 2 8 10 1 20 8 -1 9 11 1 9 19 1 10 22 1 11 25 1 12 13 1 12 23 1 13 24 1 14 18 1 21 14 -2 15 16 1 15 23 1 26 16 -2 17 21 1 17 23 1 18 20 1 19 24 1 20 25 1 21 26 1 24 26 1 25 26 1', 'C16H23NO7', 341.19, 'C', 'np01_1201_20', 4041, '', '', '1', 47, NULL, NULL),
(16122, '13-(1-Nitroethyl)artemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH2:13][CH:13001]([CH3:13002])N(=O)=O)[C@:7]2([H])[CH2:8][CH2:9][C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](CC(C)N(=O)=O)[C@]2([H])CC[C@H]3C)O4', '[H][C@@:50]13[CH2:25][CH2:36][C@:106]4([CH3:20])OO[C@:79]12[C@H:94](O[C:171](=O)[C@H:36]([CH2:36][CH:83]([CH3:20])N(=O)=O)[C@:45]2([H])[CH2:24][CH2:33][C@H:38]3[CH3:25])O4', '27 30 H 16.92 -7.50 H 17.41 -11.32 C:13002 18.27 -14.98 C:15 18.19 -6.47 C:14 12.53 -9.87 O 16.92 -14.30 O 21.92 -14.30 O 20.72 -16.41 C:9 19.50 -8.59 C:8 19.50 -10.05 C:3 14.48 -8.06 C:2 15.85 -7.77 C:13 19.50 -12.91 O 15.73 -12.20 O 15.42 -10.05 O 16.18 -8.87 O 14.48 -10.58 C:12 16.92 -12.91 C:13001 19.50 -14.30 C:10 18.19 -7.90 C:11 18.19 -12.20 C:5 15.73 -10.82 N 20.72 -14.98 C:4 13.88 -9.32 C:1 16.92 -8.59 C:7 18.19 -10.76 C:6 16.92 -10.05 25 1 -2 26 2 -2 3 19 1 20 4 -2 24 5 -1 6 18 2 7 23 2 8 23 2 9 10 1 9 20 1 10 26 1 11 12 1 11 24 1 12 25 1 13 19 1 21 13 -1 14 18 1 22 14 -2 15 16 1 15 24 1 27 16 -2 17 22 1 17 24 1 18 21 1 19 23 1 20 25 1 21 26 1 22 27 1 25 27 1 26 27 1', '27 30 H 16.92 -7.50 H 17.41 -11.32 C 18.27 -14.98 C 18.19 -6.47 C 12.53 -9.87 O 16.92 -14.30 O 21.92 -14.30 O 20.72 -16.41 C 19.50 -8.59 C 19.50 -10.05 C 14.48 -8.06 C 15.85 -7.77 C 19.50 -12.91 O 15.73 -12.20 O 15.42 -10.05 O 16.18 -8.87 O 14.48 -10.58 C 16.92 -12.91 C 19.50 -14.30 C 18.19 -7.90 C 18.19 -12.20 C 15.73 -10.82 N 20.72 -14.98 C 13.88 -9.32 C 16.92 -8.59 C 18.19 -10.76 C 16.92 -10.05 25 1 -2 26 2 -2 3 19 1 20 4 -2 24 5 -1 6 18 2 7 23 2 8 23 2 9 10 1 9 20 1 10 26 1 11 12 1 11 24 1 12 25 1 13 19 1 21 13 -1 14 18 1 22 14 -2 15 16 1 15 24 1 27 16 -2 17 22 1 17 24 1 18 21 1 19 23 1 20 25 1 21 26 1 22 27 1 25 27 1 26 27 1', '27 30 H 16.92 -7.50 H 17.41 -11.32 C:20 18.27 -14.98 C:25 18.19 -6.47 C:20 12.53 -9.87 O 16.92 -14.30 O 21.92 -14.30 O 20.72 -16.41 C:33 19.50 -8.59 C:24 19.50 -10.05 C:36 14.48 -8.06 C:25 15.85 -7.77 C:36 19.50 -12.91 O 15.73 -12.20 O 15.42 -10.05 O 16.18 -8.87 O 14.48 -10.58 C:171 16.92 -12.91 C:83 19.50 -14.30 C:38 18.19 -7.90 C:36 18.19 -12.20 C:94 15.73 -10.82 N 20.72 -14.98 C:106 13.88 -9.32 C:50 16.92 -8.59 C:45 18.19 -10.76 C:79 16.92 -10.05 25 1 -2 26 2 -2 3 19 1 20 4 -2 24 5 -1 6 18 2 7 23 2 8 23 2 9 10 1 9 20 1 10 26 1 11 12 1 11 24 1 12 25 1 13 19 1 21 13 -1 14 18 1 22 14 -2 15 16 1 15 24 1 27 16 -2 17 22 1 17 24 1 18 21 1 19 23 1 20 25 1 21 26 1 22 27 1 25 27 1 26 27 1', 'C17H25NO7', 355.2, 'C', 'np01_1201_21', 4041, '', '', '1', 47, NULL, NULL),
(16123, '(3R)-3-Hydroxyartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:7]13[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]2([H])[CH2:2][C@@H:3](O)[C@:4]4([CH3:14])OO[C@@:6]12[C@H:5](O[C:12](=O)[C@@H:11]3[CH3:13])O4', '[H][C@@]13CC[C@@H](C)[C@]2([H])C[C@@H](O)[C@]4(C)OO[C@@]12[C@H](OC(=O)[C@@H]3C)O4', '[H][C@@:45]13[CH2:23][CH2:34][C@@H:38]([CH3:23])[C@:47]2([H])[CH2:33][C@@H:76](O)[C@:105]4([CH3:20])OO[C@@:81]12[C@H:93](O[C:172](=O)[C@@H:33]3[CH3:13])O4', '23 26 H 18.64 -12.38 H 18.15 -8.56 C:15 19.42 -7.53 C:13 20.73 -13.97 C:14 13.76 -10.93 O 18.15 -15.36 O 14.84 -8.02 C:9 20.73 -9.65 C:8 20.73 -11.11 C:2 17.08 -8.83 O 16.65 -11.11 O 17.41 -9.93 O 16.96 -13.26 O 15.71 -11.64 C:12 18.15 -13.97 C:10 19.42 -8.96 C:11 19.42 -13.26 C:3 15.71 -9.12 C:5 16.96 -11.88 C:7 19.42 -11.82 C:1 18.15 -9.65 C:4 15.11 -10.38 C:6 18.15 -11.11 20 1 -2 21 2 -2 16 3 -2 17 4 -1 22 5 -1 6 15 2 18 7 -2 8 9 1 8 16 1 9 20 1 10 18 1 10 21 1 11 12 1 11 22 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 22 1 15 17 1 16 21 1 17 20 1 18 22 1 19 23 1 20 23 1 21 23 1', '23 26 H 18.64 -12.38 H 18.15 -8.56 C 19.42 -7.53 C 20.73 -13.97 C 13.76 -10.93 O 18.15 -15.36 O 14.84 -8.02 C 20.73 -9.65 C 20.73 -11.11 C 17.08 -8.83 O 16.65 -11.11 O 17.41 -9.93 O 16.96 -13.26 O 15.71 -11.64 C 18.15 -13.97 C 19.42 -8.96 C 19.42 -13.26 C 15.71 -9.12 C 16.96 -11.88 C 19.42 -11.82 C 18.15 -9.65 C 15.11 -10.38 C 18.15 -11.11 20 1 -2 21 2 -2 16 3 -2 17 4 -1 22 5 -1 6 15 2 18 7 -2 8 9 1 8 16 1 9 20 1 10 18 1 10 21 1 11 12 1 11 22 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 22 1 15 17 1 16 21 1 17 20 1 18 22 1 19 23 1 20 23 1 21 23 1', '23 26 H 18.64 -12.38 H 18.15 -8.56 C:23 19.42 -7.53 C:13 20.73 -13.97 C:20 13.76 -10.93 O 18.15 -15.36 O 14.84 -8.02 C:34 20.73 -9.65 C:23 20.73 -11.11 C:33 17.08 -8.83 O 16.65 -11.11 O 17.41 -9.93 O 16.96 -13.26 O 15.71 -11.64 C:172 18.15 -13.97 C:38 19.42 -8.96 C:33 19.42 -13.26 C:76 15.71 -9.12 C:93 16.96 -11.88 C:45 19.42 -11.82 C:47 18.15 -9.65 C:105 15.11 -10.38 C:81 18.15 -11.11 20 1 -2 21 2 -2 16 3 -2 17 4 -1 22 5 -1 6 15 2 18 7 -2 8 9 1 8 16 1 9 20 1 10 18 1 10 21 1 11 12 1 11 22 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 22 1 15 17 1 16 21 1 17 20 1 18 22 1 19 23 1 20 23 1 21 23 1', 'C15H22O6', 298.173, 'C', 'np01_1201_22', 4041, '', '', '1', 47, NULL, NULL),
(16124, '(3R)-3-Acetoxyartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:7]13[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]2([H])[CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@:4]4([CH3:14])OO[C@@:6]12[C@H:5](O[C:12](=O)[C@@H:11]3[CH3:13])O4', '[H][C@@]13CC[C@@H](C)[C@]2([H])C[C@@H](OC(C)=O)[C@]4(C)OO[C@@]12[C@H](OC(=O)[C@@H]3C)O4', '[H][C@@:45]13[CH2:23][CH2:33][C@@H:38]([CH3:21])[C@:51]2([H])[CH2:50][C@@H:71](O[C:171]([CH3:22])=O)[C@:105]4([CH3:20])OO[C@@:80]12[C@H:94](O[C:177](=O)[C@@H:34]3[CH3:13])O4', '26 29 H 18.64 -13.33 H 18.15 -9.51 C:3002 14.49 -6.57 C:15 19.42 -8.48 C:13 20.73 -14.92 C:14 13.76 -11.88 O 16.74 -7.47 O 18.15 -16.31 C:9 20.73 -10.60 C:8 20.73 -12.06 C:2 17.08 -9.78 O 16.65 -12.06 O 17.41 -10.88 O 14.84 -8.97 O 16.96 -14.21 O 15.71 -12.59 C:3001 15.36 -7.67 C:12 18.15 -14.92 C:10 19.42 -9.91 C:11 19.42 -14.21 C:3 15.71 -10.07 C:5 16.96 -12.83 C:7 19.42 -12.77 C:1 18.15 -10.60 C:4 15.11 -11.33 C:6 18.15 -12.06 23 1 -2 24 2 -2 3 17 1 19 4 -2 20 5 -1 25 6 -1 7 17 2 8 18 2 9 10 1 9 19 1 10 23 1 11 21 1 11 24 1 12 13 1 12 25 1 26 13 -2 14 17 1 21 14 -2 15 18 1 22 15 -2 16 22 1 16 25 1 18 20 1 19 24 1 20 23 1 21 25 1 22 26 1 23 26 1 24 26 1', '26 29 H 18.64 -13.33 H 18.15 -9.51 C 14.49 -6.57 C 19.42 -8.48 C 20.73 -14.92 C 13.76 -11.88 O 16.74 -7.47 O 18.15 -16.31 C 20.73 -10.60 C 20.73 -12.06 C 17.08 -9.78 O 16.65 -12.06 O 17.41 -10.88 O 14.84 -8.97 O 16.96 -14.21 O 15.71 -12.59 C 15.36 -7.67 C 18.15 -14.92 C 19.42 -9.91 C 19.42 -14.21 C 15.71 -10.07 C 16.96 -12.83 C 19.42 -12.77 C 18.15 -10.60 C 15.11 -11.33 C 18.15 -12.06 23 1 -2 24 2 -2 3 17 1 19 4 -2 20 5 -1 25 6 -1 7 17 2 8 18 2 9 10 1 9 19 1 10 23 1 11 21 1 11 24 1 12 13 1 12 25 1 26 13 -2 14 17 1 21 14 -2 15 18 1 22 15 -2 16 22 1 16 25 1 18 20 1 19 24 1 20 23 1 21 25 1 22 26 1 23 26 1 24 26 1', '26 29 H 18.64 -13.33 H 18.15 -9.51 C:22 14.49 -6.57 C:21 19.42 -8.48 C:13 20.73 -14.92 C:20 13.76 -11.88 O 16.74 -7.47 O 18.15 -16.31 C:33 20.73 -10.60 C:23 20.73 -12.06 C:50 17.08 -9.78 O 16.65 -12.06 O 17.41 -10.88 O 14.84 -8.97 O 16.96 -14.21 O 15.71 -12.59 C:171 15.36 -7.67 C:177 18.15 -14.92 C:38 19.42 -9.91 C:34 19.42 -14.21 C:71 15.71 -10.07 C:94 16.96 -12.83 C:45 19.42 -12.77 C:51 18.15 -10.60 C:105 15.11 -11.33 C:80 18.15 -12.06 23 1 -2 24 2 -2 3 17 1 19 4 -2 20 5 -1 25 6 -1 7 17 2 8 18 2 9 10 1 9 19 1 10 23 1 11 21 1 11 24 1 12 13 1 12 25 1 26 13 -2 14 17 1 21 14 -2 15 18 1 22 15 -2 16 22 1 16 25 1 18 20 1 19 24 1 20 23 1 21 25 1 22 26 1 23 26 1 24 26 1', 'C17H24O7', 340.194, 'C', 'np01_1201_23', 4041, '', '', '1', 47, NULL, NULL),
(16125, 'Anhydrodeoxydihydroartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[CH:12]=[C:11]1[CH3:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)O[C@@H](OC=C1C)[C@]23O4', '[H][C@:41]12[CH2:28][CH2:34][C@@H:35]([CH3:19])[C@:46]3([H])[CH2:22][CH2:34][C@@:108]4([CH3:24])O[C@@H:96](O[CH:134]=[C:113]1[CH3:17])[C@:83]23O4', '20 23 H 18.65 -13.08 H 18.17 -9.26 C:13 20.71 -14.67 C:15 19.44 -8.23 C:14 13.80 -11.62 C:12 18.17 -14.67 C:9 20.71 -10.35 C:8 20.71 -11.80 C:3 15.74 -9.83 C:2 17.11 -9.54 O 16.99 -13.96 O 15.74 -12.33 O 16.99 -11.07 C:11 19.44 -13.96 C:10 19.44 -9.67 C:5 16.99 -12.57 C:4 15.13 -11.07 C:7 19.44 -12.51 C:1 18.17 -10.35 C:6 18.17 -11.80 18 1 -2 19 2 -2 3 14 1 15 4 -2 17 5 -1 6 11 1 6 14 2 7 8 1 7 15 1 8 18 1 9 10 1 9 17 1 10 19 1 16 11 -2 12 16 1 12 17 1 13 17 1 20 13 -2 14 18 1 15 19 1 16 20 1 18 20 1 19 20 1', '20 23 H 18.65 -13.08 H 18.17 -9.26 C 20.71 -14.67 C 19.44 -8.23 C 13.80 -11.62 C 18.17 -14.67 C 20.71 -10.35 C 20.71 -11.80 C 15.74 -9.83 C 17.11 -9.54 O 16.99 -13.96 O 15.74 -12.33 O 16.99 -11.07 C 19.44 -13.96 C 19.44 -9.67 C 16.99 -12.57 C 15.13 -11.07 C 19.44 -12.51 C 18.17 -10.35 C 18.17 -11.80 18 1 -2 19 2 -2 3 14 1 15 4 -2 17 5 -1 6 11 1 6 14 2 7 8 1 7 15 1 8 18 1 9 10 1 9 17 1 10 19 1 16 11 -2 12 16 1 12 17 1 13 17 1 20 13 -2 14 18 1 15 19 1 16 20 1 18 20 1 19 20 1', '20 23 H 18.65 -13.08 H 18.17 -9.26 C:17 20.71 -14.67 C:19 19.44 -8.23 C:24 13.80 -11.62 C:134 18.17 -14.67 C:34 20.71 -10.35 C:28 20.71 -11.80 C:34 15.74 -9.83 C:22 17.11 -9.54 O 16.99 -13.96 O 15.74 -12.33 O 16.99 -11.07 C:113 19.44 -13.96 C:35 19.44 -9.67 C:96 16.99 -12.57 C:108 15.13 -11.07 C:41 19.44 -12.51 C:46 18.17 -10.35 C:83 18.17 -11.80 18 1 -2 19 2 -2 3 14 1 15 4 -2 17 5 -1 6 11 1 6 14 2 7 8 1 7 15 1 8 18 1 9 10 1 9 17 1 10 19 1 16 11 -2 12 16 1 12 17 1 13 17 1 20 13 -2 14 18 1 15 19 1 16 20 1 18 20 1 19 20 1', 'C15H22O3', 250.175, 'C', 'np02_184_4', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16126, 'α-Hydroperoxydeoxyartemisitene', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[C@@H:12](OO)[C:11]1=[CH2:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)O[C@@H](O[C@@H](OO)C1=C)[C@]23O4', '[H][C@:45]12[CH2:33][CH2:34][C@@H:35]([CH3:19])[C@:44]3([H])[CH2:22][CH2:34][C@@:108]4([CH3:24])O[C@@H:97](O[C@@H:99](OO)[C:142]1=[CH2:115])[C@:82]23O4', '22 25 H 18.64 -12.00 H 18.14 -8.18 C:13 20.70 -13.59 C:15 19.43 -7.15 C:14 13.79 -10.54 O 16.91 -15.67 C:9 20.70 -9.27 C:8 20.70 -10.72 C:3 15.73 -8.75 C:2 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C:11 19.43 -12.88 C:10 19.43 -8.59 C:12 18.14 -13.59 C:5 16.97 -11.49 C:7 19.43 -11.43 C:4 15.12 -9.99 C:1 18.14 -9.27 C:6 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 16 4 -2 20 5 -1 6 11 1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -2 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', '22 25 H 18.64 -12.00 H 18.14 -8.18 C 20.70 -13.59 C 19.43 -7.15 C 13.79 -10.54 O 16.91 -15.67 C 20.70 -9.27 C 20.70 -10.72 C 15.73 -8.75 C 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C 19.43 -12.88 C 19.43 -8.59 C 18.14 -13.59 C 16.97 -11.49 C 19.43 -11.43 C 15.12 -9.99 C 18.14 -9.27 C 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 16 4 -2 20 5 -1 6 11 1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -2 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', '22 25 H 18.64 -12.00 H 18.14 -8.18 C:115 20.70 -13.59 C:19 19.43 -7.15 C:24 13.79 -10.54 O 16.91 -15.67 C:34 20.70 -9.27 C:33 20.70 -10.72 C:34 15.73 -8.75 C:22 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C:142 19.43 -12.88 C:35 19.43 -8.59 C:99 18.14 -13.59 C:97 16.97 -11.49 C:45 19.43 -11.43 C:108 15.12 -9.99 C:44 18.14 -9.27 C:82 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 16 4 -2 20 5 -1 6 11 1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -2 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', 'C15H22O5', 282.173, 'C', 'np02_184_5', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16127, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@@:4]2([CH3:14])O[C@@H:5](O[CH:12]=O)[C@:6]1(O2)[C@H:7]([C:11]([CH3:13])=O)[CH2:8][CH2:9][C@H:10]3[CH3:15]', '[H][C@@]13CC[C@@]2(C)O[C@@H](OC=O)[C@]1(O2)[C@H](C(C)=O)CC[C@H]3C', '[H][C@@:47]13[CH2:22][CH2:34][C@@:110]2([CH3:24])O[C@@H:93](O[CH:160]=O)[C@:87]1(O2)[C@H:55]([C:208]([CH3:32])=O)[CH2:24][CH2:34][C@H:35]3[CH3:19]', '21 23 H 18.14 -8.55 C:13 20.67 -13.89 C:15 19.41 -7.53 C:14 13.81 -10.87 O 15.77 -15.28 O 18.22 -13.89 C:12 15.77 -13.89 C:9 20.67 -9.62 C:8 20.67 -11.05 C:3 15.77 -9.12 C:2 17.10 -8.83 O 16.98 -13.19 O 15.77 -11.57 O 16.98 -10.33 C:11 19.41 -13.19 C:10 19.41 -8.96 C:5 16.98 -11.81 C:7 19.41 -11.75 C:4 15.13 -10.33 C:1 18.14 -9.62 C:6 18.14 -11.05 20 1 -2 2 15 1 16 3 -2 19 4 -1 5 7 2 6 15 2 7 12 1 8 9 1 8 16 1 9 18 1 10 11 1 10 19 1 11 20 1 17 12 -2 13 17 1 13 19 1 14 19 1 21 14 -2 18 15 -1 16 20 1 17 21 1 18 21 1 20 21 1', '21 23 H 18.14 -8.55 C 20.67 -13.89 C 19.41 -7.53 C 13.81 -10.87 O 15.77 -15.28 O 18.22 -13.89 C 15.77 -13.89 C 20.67 -9.62 C 20.67 -11.05 C 15.77 -9.12 C 17.10 -8.83 O 16.98 -13.19 O 15.77 -11.57 O 16.98 -10.33 C 19.41 -13.19 C 19.41 -8.96 C 16.98 -11.81 C 19.41 -11.75 C 15.13 -10.33 C 18.14 -9.62 C 18.14 -11.05 20 1 -2 2 15 1 16 3 -2 19 4 -1 5 7 2 6 15 2 7 12 1 8 9 1 8 16 1 9 18 1 10 11 1 10 19 1 11 20 1 17 12 -2 13 17 1 13 19 1 14 19 1 21 14 -2 18 15 -1 16 20 1 17 21 1 18 21 1 20 21 1', '21 23 H 18.14 -8.55 C:32 20.67 -13.89 C:19 19.41 -7.53 C:24 13.81 -10.87 O 15.77 -15.28 O 18.22 -13.89 C:160 15.77 -13.89 C:34 20.67 -9.62 C:24 20.67 -11.05 C:34 15.77 -9.12 C:22 17.10 -8.83 O 16.98 -13.19 O 15.77 -11.57 O 16.98 -10.33 C:208 19.41 -13.19 C:35 19.41 -8.96 C:93 16.98 -11.81 C:55 19.41 -11.75 C:110 15.13 -10.33 C:47 18.14 -9.62 C:87 18.14 -11.05 20 1 -2 2 15 1 16 3 -2 19 4 -1 5 7 2 6 15 2 7 12 1 8 9 1 8 16 1 9 18 1 10 11 1 10 19 1 11 20 1 17 12 -2 13 17 1 13 19 1 14 19 1 21 14 -2 18 15 -1 16 20 1 17 21 1 18 21 1 20 21 1', 'C15H22O5', 282.165, 'C', 'np02_184_7', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16128, 'β-Hydroperoxydeoxyartemisitene', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[C@H:12](OO)[C:11]1=[CH2:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)O[C@@H](O[C@H](OO)C1=C)[C@]23O4', '[H][C@:44]12[CH2:32][CH2:34][C@@H:35]([CH3:19])[C@:45]3([H])[CH2:22][CH2:35][C@@:109]4([CH3:23])O[C@@H:95](O[C@H:101](OO)[C:141]1=[CH2:119])[C@:81]23O4', '22 25 H 18.64 -12.00 H 18.14 -8.18 C:13 20.70 -13.59 C:15 19.43 -7.15 C:14 13.79 -10.54 O 16.91 -15.67 C:9 20.70 -9.27 C:8 20.70 -10.72 C:3 15.73 -8.75 C:2 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C:11 19.43 -12.88 C:10 19.43 -8.59 C:12 18.14 -13.59 C:5 16.97 -11.49 C:7 19.43 -11.43 C:4 15.12 -9.99 C:1 18.14 -9.27 C:6 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 16 4 -2 20 5 -1 6 11 1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -1 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', '22 25 H 18.64 -12.00 H 18.14 -8.18 C 20.70 -13.59 C 19.43 -7.15 C 13.79 -10.54 O 16.91 -15.67 C 20.70 -9.27 C 20.70 -10.72 C 15.73 -8.75 C 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C 19.43 -12.88 C 19.43 -8.59 C 18.14 -13.59 C 16.97 -11.49 C 19.43 -11.43 C 15.12 -9.99 C 18.14 -9.27 C 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 16 4 -2 20 5 -1 6 11 1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -1 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', '22 25 H 18.64 -12.00 H 18.14 -8.18 C:119 20.70 -13.59 C:19 19.43 -7.15 C:23 13.79 -10.54 O 16.91 -15.67 C:34 20.70 -9.27 C:32 20.70 -10.72 C:35 15.73 -8.75 C:22 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C:141 19.43 -12.88 C:35 19.43 -8.59 C:101 18.14 -13.59 C:95 16.97 -11.49 C:44 19.43 -11.43 C:109 15.12 -9.99 C:45 18.14 -9.27 C:81 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 16 4 -2 20 5 -1 6 11 1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -1 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', 'C15H22O5', 282.173, 'C', 'np02_184_8', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16129, 'Dihydrodeoxyartemisitene', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[C@@H:12](O)[C:11]1=[CH2:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)O[C@@H](O[C@@H](O)C1=C)[C@]23O4', '[H][C@:44]12[CH2:33][CH2:34][C@@H:35]([CH3:19])[C@:44]3([H])[CH2:22][CH2:34][C@@:107]4([CH3:24])O[C@@H:97](O[C@@H:89](O)[C:149]1=[CH2:113])[C@:81]23O4', '21 24 H 18.64 -12.34 H 18.14 -8.52 C:13 20.70 -13.93 C:15 19.43 -7.49 C:14 13.79 -10.88 O 18.14 -15.33 C:9 20.70 -9.61 C:8 20.70 -11.06 C:3 15.73 -9.09 C:2 17.09 -8.80 O 16.97 -13.22 O 15.73 -11.59 O 16.97 -10.33 C:11 19.43 -13.22 C:10 19.43 -8.93 C:12 18.14 -13.93 C:5 16.97 -11.83 C:7 19.43 -11.77 C:4 15.12 -10.33 C:1 18.14 -9.61 C:6 18.14 -11.06 18 1 -2 20 2 -2 3 14 2 15 4 -2 19 5 -1 16 6 -2 7 8 1 7 15 1 8 18 1 9 10 1 9 19 1 10 20 1 11 16 1 17 11 -2 12 17 1 12 19 1 13 19 1 21 13 -2 14 16 1 14 18 1 15 20 1 17 21 1 18 21 1 20 21 1', '21 24 H 18.64 -12.34 H 18.14 -8.52 C 20.70 -13.93 C 19.43 -7.49 C 13.79 -10.88 O 18.14 -15.33 C 20.70 -9.61 C 20.70 -11.06 C 15.73 -9.09 C 17.09 -8.80 O 16.97 -13.22 O 15.73 -11.59 O 16.97 -10.33 C 19.43 -13.22 C 19.43 -8.93 C 18.14 -13.93 C 16.97 -11.83 C 19.43 -11.77 C 15.12 -10.33 C 18.14 -9.61 C 18.14 -11.06 18 1 -2 20 2 -2 3 14 2 15 4 -2 19 5 -1 16 6 -2 7 8 1 7 15 1 8 18 1 9 10 1 9 19 1 10 20 1 11 16 1 17 11 -2 12 17 1 12 19 1 13 19 1 21 13 -2 14 16 1 14 18 1 15 20 1 17 21 1 18 21 1 20 21 1', '21 24 H 18.64 -12.34 H 18.14 -8.52 C:113 20.70 -13.93 C:19 19.43 -7.49 C:24 13.79 -10.88 O 18.14 -15.33 C:34 20.70 -9.61 C:33 20.70 -11.06 C:34 15.73 -9.09 C:22 17.09 -8.80 O 16.97 -13.22 O 15.73 -11.59 O 16.97 -10.33 C:149 19.43 -13.22 C:35 19.43 -8.93 C:89 18.14 -13.93 C:97 16.97 -11.83 C:44 19.43 -11.77 C:107 15.12 -10.33 C:44 18.14 -9.61 C:81 18.14 -11.06 18 1 -2 20 2 -2 3 14 2 15 4 -2 19 5 -1 16 6 -2 7 8 1 7 15 1 8 18 1 9 10 1 9 19 1 10 20 1 11 16 1 17 11 -2 12 17 1 12 19 1 13 19 1 21 13 -2 14 16 1 14 18 1 15 20 1 17 21 1 18 21 1 20 21 1', 'C15H22O4', 266.174, 'C', 'np02_184_10', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16130, 'C2-symmetrical dimer bis(dihydrodeoxyartemisitene)ether', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:107]56[CH2:108][CH2:109][C@@H:110]([CH3:115])[C@:101]7([H])[CH2:102][CH2:103][C@@:104]8([CH3:114])O[C@@H:105](O[C@H:112](O[C@H:12]1O[C@@H:5]2O[C@:4]4([CH3:14])[CH2:3][CH2:2][C@@:1]3([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@@:7]([H])([C:11]1=[CH2:13])[C@@:6]23O4)[C:111]5=[CH2:113])[C@:106]67O8', '[H][C@]56CC[C@@H](C)[C@]7([H])CC[C@@]8(C)O[C@@H](O[C@H](O[C@H]1O[C@@H]2O[C@]4(C)CC[C@@]3([H])[C@H](C)CC[C@@]([H])(C1=C)[C@@]23O4)C5=C)[C@]67O8', '[H][C@:44]56[CH2:33][CH2:34][C@@H:35]([CH3:19])[C@:45]7([H])[CH2:22][CH2:35][C@@:108]8([CH3:23])O[C@@H:97](O[C@H:93](O[C@H:93]1O[C@@H:97]2O[C@:108]4([CH3:23])[CH2:35][CH2:22][C@@:45]3([H])[C@H:35]([CH3:19])[CH2:34][CH2:33][C@@:44]([H])([C:145]1=[CH2:113])[C@@:82]23O4)[C:145]5=[CH2:113])[C@:82]67O8', '41 48 H 15.94 -11.79 H 20.11 -9.07 H 13.91 -15.23 H 19.60 -5.23 C:113 17.17 -10.68 C:13 22.20 -10.68 C:115 12.27 -14.91 C:15 20.91 -4.19 C:114 16.93 -18.67 C:14 15.22 -7.59 C:109 13.49 -12.80 C:9 22.20 -6.33 C:108 14.71 -12.08 C:8 22.20 -7.77 C:103 15.00 -17.27 C:3 17.17 -5.80 C:102 14.21 -16.08 C:2 18.55 -5.52 O 19.60 -12.08 O 18.39 -14.21 O 18.39 -9.96 O 17.38 -16.33 O 17.17 -8.31 O 15.74 -15.91 O 18.39 -7.04 C:111 17.17 -12.08 C:11 20.91 -9.96 C:110 13.49 -14.21 C:10 20.91 -5.65 C:112 18.39 -12.80 C:12 19.60 -10.68 C:105 17.17 -14.91 C:5 18.39 -8.57 C:107 15.94 -12.80 C:7 20.91 -8.51 C:104 16.41 -17.37 C:4 16.57 -7.04 C:101 14.62 -14.72 C:1 19.60 -6.33 C:106 15.94 -14.21 C:6 19.60 -7.77 34 1 -2 35 2 -2 38 3 -2 39 4 -2 5 26 2 6 27 2 28 7 -2 29 8 -2 36 9 -1 37 10 -1 11 13 1 11 28 1 12 14 1 12 29 1 13 34 1 14 35 1 15 17 1 15 36 1 16 18 1 16 37 1 17 38 1 18 39 1 30 19 -1 31 19 -1 20 30 1 32 20 -2 21 31 1 33 21 -2 22 32 1 22 36 1 23 33 1 23 37 1 24 36 1 40 24 -2 25 37 1 41 25 -2 26 30 1 26 34 1 27 31 1 27 35 1 28 38 1 29 39 1 32 40 1 33 41 1 34 40 1 35 41 1 38 40 1 39 41 1', '41 48 H 15.94 -11.79 H 20.11 -9.07 H 13.91 -15.23 H 19.60 -5.23 C 17.17 -10.68 C 22.20 -10.68 C 12.27 -14.91 C 20.91 -4.19 C 16.93 -18.67 C 15.22 -7.59 C 13.49 -12.80 C 22.20 -6.33 C 14.71 -12.08 C 22.20 -7.77 C 15.00 -17.27 C 17.17 -5.80 C 14.21 -16.08 C 18.55 -5.52 O 19.60 -12.08 O 18.39 -14.21 O 18.39 -9.96 O 17.38 -16.33 O 17.17 -8.31 O 15.74 -15.91 O 18.39 -7.04 C 17.17 -12.08 C 20.91 -9.96 C 13.49 -14.21 C 20.91 -5.65 C 18.39 -12.80 C 19.60 -10.68 C 17.17 -14.91 C 18.39 -8.57 C 15.94 -12.80 C 20.91 -8.51 C 16.41 -17.37 C 16.57 -7.04 C 14.62 -14.72 C 19.60 -6.33 C 15.94 -14.21 C 19.60 -7.77 34 1 -2 35 2 -2 38 3 -2 39 4 -2 5 26 2 6 27 2 28 7 -2 29 8 -2 36 9 -1 37 10 -1 11 13 1 11 28 1 12 14 1 12 29 1 13 34 1 14 35 1 15 17 1 15 36 1 16 18 1 16 37 1 17 38 1 18 39 1 30 19 -1 31 19 -1 20 30 1 32 20 -2 21 31 1 33 21 -2 22 32 1 22 36 1 23 33 1 23 37 1 24 36 1 40 24 -2 25 37 1 41 25 -2 26 30 1 26 34 1 27 31 1 27 35 1 28 38 1 29 39 1 32 40 1 33 41 1 34 40 1 35 41 1 38 40 1 39 41 1', '41 48 H 15.94 -11.79 H 20.11 -9.07 H 13.91 -15.23 H 19.60 -5.23 C:113 17.17 -10.68 C:113 22.20 -10.68 C:19 12.27 -14.91 C:19 20.91 -4.19 C:23 16.93 -18.67 C:23 15.22 -7.59 C:34 13.49 -12.80 C:34 22.20 -6.33 C:33 14.71 -12.08 C:33 22.20 -7.77 C:35 15.00 -17.27 C:35 17.17 -5.80 C:22 14.21 -16.08 C:22 18.55 -5.52 O 19.60 -12.08 O 18.39 -14.21 O 18.39 -9.96 O 17.38 -16.33 O 17.17 -8.31 O 15.74 -15.91 O 18.39 -7.04 C:145 17.17 -12.08 C:145 20.91 -9.96 C:35 13.49 -14.21 C:35 20.91 -5.65 C:93 18.39 -12.80 C:93 19.60 -10.68 C:97 17.17 -14.91 C:97 18.39 -8.57 C:44 15.94 -12.80 C:44 20.91 -8.51 C:108 16.41 -17.37 C:108 16.57 -7.04 C:45 14.62 -14.72 C:45 19.60 -6.33 C:82 15.94 -14.21 C:82 19.60 -7.77 34 1 -2 35 2 -2 38 3 -2 39 4 -2 5 26 2 6 27 2 28 7 -2 29 8 -2 36 9 -1 37 10 -1 11 13 1 11 28 1 12 14 1 12 29 1 13 34 1 14 35 1 15 17 1 15 36 1 16 18 1 16 37 1 17 38 1 18 39 1 30 19 -1 31 19 -1 20 30 1 32 20 -2 21 31 1 33 21 -2 22 32 1 22 36 1 23 33 1 23 37 1 24 36 1 40 24 -2 25 37 1 41 25 -2 26 30 1 26 34 1 27 31 1 27 35 1 28 38 1 29 39 1 32 40 1 33 41 1 34 40 1 35 41 1 38 40 1 39 41 1', 'C30H42O7', 514.349, 'C', 'np02_184_11', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16131, 'Dihydrodeoxyartemisitene methyl ether', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[C@H:12](O[CH3:12001])[C:11]1=[CH2:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)O[C@@H](O[C@H](OC)C1=C)[C@]23O4', '[H][C@:45]12[CH2:33][CH2:34][C@@H:35]([CH3:19])[C@:45]3([H])[CH2:22][CH2:35][C@@:107]4([CH3:24])O[C@@H:96](O[C@H:97](O[CH3:56])[C:146]1=[CH2:113])[C@:81]23O4', '22 25 H 18.64 -12.00 H 18.14 -8.18 C:13 20.70 -13.59 C:12001 16.91 -15.67 C:15 19.43 -7.15 C:14 13.79 -10.54 C:9 20.70 -9.27 C:8 20.70 -10.72 C:3 15.73 -8.75 C:2 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C:11 19.43 -12.88 C:10 19.43 -8.59 C:12 18.14 -13.59 C:5 16.97 -11.49 C:7 19.43 -11.43 C:4 15.12 -9.99 C:1 18.14 -9.27 C:6 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 4 11 1 16 5 -2 20 6 -1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -1 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', '22 25 H 18.64 -12.00 H 18.14 -8.18 C 20.70 -13.59 C 16.91 -15.67 C 19.43 -7.15 C 13.79 -10.54 C 20.70 -9.27 C 20.70 -10.72 C 15.73 -8.75 C 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C 19.43 -12.88 C 19.43 -8.59 C 18.14 -13.59 C 16.97 -11.49 C 19.43 -11.43 C 15.12 -9.99 C 18.14 -9.27 C 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 4 11 1 16 5 -2 20 6 -1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -1 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', '22 25 H 18.64 -12.00 H 18.14 -8.18 C:113 20.70 -13.59 C:56 16.91 -15.67 C:19 19.43 -7.15 C:24 13.79 -10.54 C:34 20.70 -9.27 C:33 20.70 -10.72 C:35 15.73 -8.75 C:22 17.09 -8.46 O 18.14 -14.99 O 16.97 -12.88 O 15.73 -11.25 O 16.97 -9.99 C:146 19.43 -12.88 C:35 19.43 -8.59 C:97 18.14 -13.59 C:96 16.97 -11.49 C:45 19.43 -11.43 C:107 15.12 -9.99 C:45 18.14 -9.27 C:81 18.14 -10.72 19 1 -2 21 2 -2 3 15 2 4 11 1 16 5 -2 20 6 -1 7 8 1 7 16 1 8 19 1 9 10 1 9 20 1 10 21 1 17 11 -1 12 17 1 18 12 -2 13 18 1 13 20 1 14 20 1 22 14 -2 15 17 1 15 19 1 16 21 1 18 22 1 19 22 1 21 22 1', 'C16H24O4', 280.185, 'C', 'np02_184_12', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16132, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:7]12[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]3([H])[CH2:2][CH2:3][C@@:4]4([CH3:14])O[C@@H:5](O[C:12](=O)[C:11]1=[CH2:13])[C@:6]23O4', '[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)O[C@@H](OC(=O)C1=C)[C@]23O4', '[H][C@:45]12[CH2:31][CH2:34][C@@H:36]([CH3:19])[C@:44]3([H])[CH2:22][CH2:34][C@@:110]4([CH3:24])O[C@@H:99](O[C:163](=O)[C:136]1=[CH2:129])[C@:82]23O4', '21 24 H 18.64 -12.34 H 18.14 -8.52 C:13 20.70 -13.93 C:15 19.43 -7.49 C:14 13.79 -10.88 O 18.14 -15.33 C:9 20.70 -9.61 C:8 20.70 -11.06 C:3 15.73 -9.09 C:2 17.09 -8.80 O 16.97 -13.22 O 15.73 -11.59 O 16.97 -10.33 C:11 19.43 -13.22 C:12 18.14 -13.93 C:10 19.43 -8.93 C:5 16.97 -11.83 C:7 19.43 -11.77 C:4 15.12 -10.33 C:1 18.14 -9.61 C:6 18.14 -11.06 18 1 -2 20 2 -2 3 14 2 16 4 -2 19 5 -1 6 15 2 7 8 1 7 16 1 8 18 1 9 10 1 9 19 1 10 20 1 11 15 1 17 11 -2 12 17 1 12 19 1 13 19 1 21 13 -2 14 15 1 14 18 1 16 20 1 17 21 1 18 21 1 20 21 1', '21 24 H 18.64 -12.34 H 18.14 -8.52 C 20.70 -13.93 C 19.43 -7.49 C 13.79 -10.88 O 18.14 -15.33 C 20.70 -9.61 C 20.70 -11.06 C 15.73 -9.09 C 17.09 -8.80 O 16.97 -13.22 O 15.73 -11.59 O 16.97 -10.33 C 19.43 -13.22 C 18.14 -13.93 C 19.43 -8.93 C 16.97 -11.83 C 19.43 -11.77 C 15.12 -10.33 C 18.14 -9.61 C 18.14 -11.06 18 1 -2 20 2 -2 3 14 2 16 4 -2 19 5 -1 6 15 2 7 8 1 7 16 1 8 18 1 9 10 1 9 19 1 10 20 1 11 15 1 17 11 -2 12 17 1 12 19 1 13 19 1 21 13 -2 14 15 1 14 18 1 16 20 1 17 21 1 18 21 1 20 21 1', '21 24 H 18.64 -12.34 H 18.14 -8.52 C:129 20.70 -13.93 C:19 19.43 -7.49 C:24 13.79 -10.88 O 18.14 -15.33 C:34 20.70 -9.61 C:31 20.70 -11.06 C:34 15.73 -9.09 C:22 17.09 -8.80 O 16.97 -13.22 O 15.73 -11.59 O 16.97 -10.33 C:136 19.43 -13.22 C:163 18.14 -13.93 C:36 19.43 -8.93 C:99 16.97 -11.83 C:45 19.43 -11.77 C:110 15.12 -10.33 C:44 18.14 -9.61 C:82 18.14 -11.06 18 1 -2 20 2 -2 3 14 2 16 4 -2 19 5 -1 6 15 2 7 8 1 7 16 1 8 18 1 9 10 1 9 19 1 10 20 1 11 15 1 17 11 -2 12 17 1 12 19 1 13 19 1 21 13 -2 14 15 1 14 18 1 16 20 1 17 21 1 18 21 1 20 21 1', 'C15H20O4', 264.174, 'C', 'np02_184_14', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16133, '', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@:107]56[CH2:108][CH2:109][C@@H:110]([CH3:115])[C@:101]7([H])[CH2:102][CH2:103][C@@:104]8([CH3:114])O[C@@H:105](O[C@@H:112](O[CH2:13][C:11]1=[CH:12]O[C@@H:5]2O[C@:4]4([CH3:14])[CH2:3][CH2:2][C@@:1]3([H])[C@H:10]([CH3:15])[CH2:9][CH2:8][C@:7]1([H])[C@@:6]23O4)[C:111]5=[CH2:113])[C@:106]67O8', '[H][C@]56CC[C@@H](C)[C@]7([H])CC[C@@]8(C)O[C@@H](O[C@@H](OCC1=CO[C@@H]2O[C@]4(C)CC[C@@]3([H])[C@H](C)CC[C@]1([H])[C@@]23O4)C5=C)[C@]67O8', '[H][C@:45]56[CH2:34][CH2:34][C@@H:35]([CH3:19])[C@:45]7([H])[CH2:22][CH2:34][C@@:108]8([CH3:24])O[C@@H:97](O[C@@H:92](O[CH2:69][C:112]1=[CH:141]O[C@@H:96]2O[C@:108]4([CH3:24])[CH2:35][CH2:22][C@@:46]3([H])[C@H:36]([CH3:19])[CH2:34][CH2:29][C@:39]1([H])[C@@:9999]23O4)[C:146]5=[CH2:113])[C@:84]67O8', '41 48 H 23.14 -11.16 H 15.38 -14.95 H 14.90 -11.45 H 21.13 -7.64 C:113 23.55 -12.85 C:115 22.34 -6.55 C:15 16.10 -10.48 C:14 10.96 -13.58 C:114 16.82 -8.67 C:12 14.90 -16.35 C:109 23.55 -8.67 C:9 17.29 -12.43 C:13 18.50 -16.35 C:108 23.55 -10.04 C:8 17.29 -13.75 C:3 12.72 -11.97 C:103 18.98 -7.74 C:2 13.94 -11.70 C:102 20.37 -7.64 O 13.84 -15.74 O 21.13 -14.23 O 19.91 -12.16 O 12.72 -14.23 O 18.60 -10.24 O 13.84 -13.09 O 20.37 -8.89 C:111 22.34 -12.16 C:11 16.10 -15.74 C:110 22.34 -7.94 C:10 16.10 -11.82 C:112 21.13 -12.85 C:5 13.84 -14.47 C:105 19.91 -10.75 C:107 22.34 -10.75 C:7 16.10 -14.47 C:4 12.17 -13.09 C:104 18.19 -8.89 C:1 14.90 -12.43 C:101 21.13 -8.67 C:6 14.90 -13.75 C:106 21.13 -10.04 34 1 -2 35 2 -2 38 3 -2 39 4 -2 5 27 2 29 6 -2 30 7 -2 36 8 -1 37 9 -1 10 20 1 10 28 2 11 14 1 11 29 1 12 15 1 12 30 1 13 21 1 13 28 1 14 34 1 15 35 1 16 18 1 16 36 1 17 19 1 17 37 1 18 38 1 19 39 1 32 20 -2 31 21 -2 22 31 1 33 22 -2 23 32 1 23 36 1 24 33 1 24 37 1 25 36 1 40 25 -2 26 37 1 41 26 -2 27 31 1 27 34 1 28 35 1 29 39 1 30 38 1 32 40 1 33 41 1 34 41 1 35 40 1 38 40 1 39 41 1', '41 48 H 23.14 -11.16 H 15.38 -14.95 H 14.90 -11.45 H 21.13 -7.64 C 23.55 -12.85 C 22.34 -6.55 C 16.10 -10.48 C 10.96 -13.58 C 16.82 -8.67 C 14.90 -16.35 C 23.55 -8.67 C 17.29 -12.43 C 18.50 -16.35 C 23.55 -10.04 C 17.29 -13.75 C 12.72 -11.97 C 18.98 -7.74 C 13.94 -11.70 C 20.37 -7.64 O 13.84 -15.74 O 21.13 -14.23 O 19.91 -12.16 O 12.72 -14.23 O 18.60 -10.24 O 13.84 -13.09 O 20.37 -8.89 C 22.34 -12.16 C 16.10 -15.74 C 22.34 -7.94 C 16.10 -11.82 C 21.13 -12.85 C 13.84 -14.47 C 19.91 -10.75 C 22.34 -10.75 C 16.10 -14.47 C 12.17 -13.09 C 18.19 -8.89 C 14.90 -12.43 C 21.13 -8.67 C 14.90 -13.75 C 21.13 -10.04 34 1 -2 35 2 -2 38 3 -2 39 4 -2 5 27 2 29 6 -2 30 7 -2 36 8 -1 37 9 -1 10 20 1 10 28 2 11 14 1 11 29 1 12 15 1 12 30 1 13 21 1 13 28 1 14 34 1 15 35 1 16 18 1 16 36 1 17 19 1 17 37 1 18 38 1 19 39 1 32 20 -2 31 21 -2 22 31 1 33 22 -2 23 32 1 23 36 1 24 33 1 24 37 1 25 36 1 40 25 -2 26 37 1 41 26 -2 27 31 1 27 34 1 28 35 1 29 39 1 30 38 1 32 40 1 33 41 1 34 41 1 35 40 1 38 40 1 39 41 1', '41 48 H 23.14 -11.16 H 15.38 -14.95 H 14.90 -11.45 H 21.13 -7.64 C:113 23.55 -12.85 C:19 22.34 -6.55 C:19 16.10 -10.48 C:24 10.96 -13.58 C:24 16.82 -8.67 C:141 14.90 -16.35 C:34 23.55 -8.67 C:34 17.29 -12.43 C:69 18.50 -16.35 C:34 23.55 -10.04 C:29 17.29 -13.75 C:35 12.72 -11.97 C:34 18.98 -7.74 C:22 13.94 -11.70 C:22 20.37 -7.64 O 13.84 -15.74 O 21.13 -14.23 O 19.91 -12.16 O 12.72 -14.23 O 18.60 -10.24 O 13.84 -13.09 O 20.37 -8.89 C:146 22.34 -12.16 C:112 16.10 -15.74 C:35 22.34 -7.94 C:36 16.10 -11.82 C:92 21.13 -12.85 C:96 13.84 -14.47 C:97 19.91 -10.75 C:45 22.34 -10.75 C:39 16.10 -14.47 C:108 12.17 -13.09 C:108 18.19 -8.89 C:46 14.90 -12.43 C:45 21.13 -8.67 C 14.90 -13.75 C:84 21.13 -10.04 34 1 -2 35 2 -2 38 3 -2 39 4 -2 5 27 2 29 6 -2 30 7 -2 36 8 -1 37 9 -1 10 20 1 10 28 2 11 14 1 11 29 1 12 15 1 12 30 1 13 21 1 13 28 1 14 34 1 15 35 1 16 18 1 16 36 1 17 19 1 17 37 1 18 38 1 19 39 1 32 20 -2 31 21 -2 22 31 1 33 22 -2 23 32 1 23 36 1 24 33 1 24 37 1 25 36 1 40 25 -2 26 37 1 41 26 -2 27 31 1 27 34 1 28 35 1 29 39 1 30 38 1 32 40 1 33 41 1 34 41 1 35 40 1 38 40 1 39 41 1', 'C30H42O7', 514.349, 'C', 'np02_184_13', 4042, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16134, '9b-Hydroxyartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:1]13[CH2:2][CH2:3][C@:4]4([CH3:14])OO[C@:6]12[C@H:5](O[C:12](=O)[C@H:11]([CH3:13])[C@:7]2([H])[CH2:8][C@H:9](O)[C@H:10]3[CH3:15])O4', '[H][C@@]13CC[C@]4(C)OO[C@]12[C@H](OC(=O)[C@H](C)[C@]2([H])C[C@H](O)[C@H]3C)O4', '[H][C@@:48]13[CH2:25][CH2:36][C@:106]4([CH3:25])OO[C@:79]12[C@H:93](O[C:172](=O)[C@H:33]([CH3:13])[C@:42]2([H])[CH2:32][C@H:74](O)[C@H:44]3[CH3:16])O4', '23 26 H 17.54 -8.52 H 18.03 -12.36 C:13 20.11 -13.96 C:15 18.82 -7.49 C:14 13.15 -10.89 O 17.54 -15.35 O 21.31 -8.93 C:3 15.10 -9.09 C:2 16.48 -8.80 C:8 20.11 -11.07 O 16.05 -11.07 O 16.80 -9.90 O 16.36 -13.25 O 15.10 -11.61 C:12 17.54 -13.96 C:11 18.82 -13.25 C:10 18.82 -8.93 C:9 20.11 -9.62 C:5 16.36 -11.85 C:4 14.49 -10.34 C:1 17.54 -9.62 C:7 18.82 -11.79 C:6 17.54 -11.07 21 1 -2 22 2 -2 16 3 -1 17 4 -2 20 5 -1 6 15 2 18 7 -1 8 9 1 8 20 1 9 21 1 10 18 1 10 22 1 11 12 1 11 20 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 20 1 15 16 1 16 22 1 17 18 1 17 21 1 19 23 1 21 23 1 22 23 1', '23 26 H 17.54 -8.52 H 18.03 -12.36 C 20.11 -13.96 C 18.82 -7.49 C 13.15 -10.89 O 17.54 -15.35 O 21.31 -8.93 C 15.10 -9.09 C 16.48 -8.80 C 20.11 -11.07 O 16.05 -11.07 O 16.80 -9.90 O 16.36 -13.25 O 15.10 -11.61 C 17.54 -13.96 C 18.82 -13.25 C 18.82 -8.93 C 20.11 -9.62 C 16.36 -11.85 C 14.49 -10.34 C 17.54 -9.62 C 18.82 -11.79 C 17.54 -11.07 21 1 -2 22 2 -2 16 3 -1 17 4 -2 20 5 -1 6 15 2 18 7 -1 8 9 1 8 20 1 9 21 1 10 18 1 10 22 1 11 12 1 11 20 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 20 1 15 16 1 16 22 1 17 18 1 17 21 1 19 23 1 21 23 1 22 23 1', '23 26 H 17.54 -8.52 H 18.03 -12.36 C:13 20.11 -13.96 C:16 18.82 -7.49 C:25 13.15 -10.89 O 17.54 -15.35 O 21.31 -8.93 C:36 15.10 -9.09 C:25 16.48 -8.80 C:32 20.11 -11.07 O 16.05 -11.07 O 16.80 -9.90 O 16.36 -13.25 O 15.10 -11.61 C:172 17.54 -13.96 C:33 18.82 -13.25 C:44 18.82 -8.93 C:74 20.11 -9.62 C:93 16.36 -11.85 C:106 14.49 -10.34 C:48 17.54 -9.62 C:42 18.82 -11.79 C:79 17.54 -11.07 21 1 -2 22 2 -2 16 3 -1 17 4 -2 20 5 -1 6 15 2 18 7 -1 8 9 1 8 20 1 9 21 1 10 18 1 10 22 1 11 12 1 11 20 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 20 1 15 16 1 16 22 1 17 18 1 17 21 1 19 23 1 21 23 1 22 23 1', 'C15H22O6', 298.173, 'C', 'np02_1693_2', 4043, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL),
(16135, '3b-Hydroxyartemisinin', '', 'Terpenoids', 'Sesquiterpenoids', 'Amorphanes', '[H][C@@:7]13[CH2:8][CH2:9][C@@H:10]([CH3:15])[C@:1]2([H])[CH2:2][C@H:3](O)[C@:4]4([CH3:14])OO[C@@:6]12[C@H:5](O[C:12](=O)[C@@H:11]3[CH3:13])O4', '[H][C@@]13CC[C@@H](C)[C@]2([H])C[C@H](O)[C@]4(C)OO[C@@]12[C@H](OC(=O)[C@@H]3C)O4', '[H][C@@:45]13[CH2:23][CH2:33][C@@H:37]([CH3:20])[C@:47]2([H])[CH2:35][C@H:74](O)[C@:108]4([CH3:21])OO[C@@:79]12[C@H:93](O[C:172](=O)[C@@H:33]3[CH3:13])O4', '23 26 H 18.65 -12.36 H 18.15 -8.52 C:15 19.44 -7.49 C:13 20.73 -13.96 C:14 13.76 -10.89 O 18.15 -15.35 O 14.84 -7.99 C:9 20.73 -9.62 C:8 20.73 -11.07 C:2 17.09 -8.80 O 16.66 -11.07 O 17.41 -9.91 O 16.97 -13.25 O 15.71 -11.61 C:12 18.15 -13.96 C:10 19.44 -8.93 C:11 19.44 -13.25 C:3 15.71 -9.09 C:5 16.97 -11.85 C:7 19.44 -11.79 C:1 18.15 -9.62 C:4 15.10 -10.35 C:6 18.15 -11.07 20 1 -2 21 2 -2 16 3 -2 17 4 -1 22 5 -1 6 15 2 18 7 -1 8 9 1 8 16 1 9 20 1 10 18 1 10 21 1 11 12 1 11 22 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 22 1 15 17 1 16 21 1 17 20 1 18 22 1 19 23 1 20 23 1 21 23 1', '23 26 H 18.65 -12.36 H 18.15 -8.52 C 19.44 -7.49 C 20.73 -13.96 C 13.76 -10.89 O 18.15 -15.35 O 14.84 -7.99 C 20.73 -9.62 C 20.73 -11.07 C 17.09 -8.80 O 16.66 -11.07 O 17.41 -9.91 O 16.97 -13.25 O 15.71 -11.61 C 18.15 -13.96 C 19.44 -8.93 C 19.44 -13.25 C 15.71 -9.09 C 16.97 -11.85 C 19.44 -11.79 C 18.15 -9.62 C 15.10 -10.35 C 18.15 -11.07 20 1 -2 21 2 -2 16 3 -2 17 4 -1 22 5 -1 6 15 2 18 7 -1 8 9 1 8 16 1 9 20 1 10 18 1 10 21 1 11 12 1 11 22 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 22 1 15 17 1 16 21 1 17 20 1 18 22 1 19 23 1 20 23 1 21 23 1', '23 26 H 18.65 -12.36 H 18.15 -8.52 C:20 19.44 -7.49 C:13 20.73 -13.96 C:21 13.76 -10.89 O 18.15 -15.35 O 14.84 -7.99 C:33 20.73 -9.62 C:23 20.73 -11.07 C:35 17.09 -8.80 O 16.66 -11.07 O 17.41 -9.91 O 16.97 -13.25 O 15.71 -11.61 C:172 18.15 -13.96 C:37 19.44 -8.93 C:33 19.44 -13.25 C:74 15.71 -9.09 C:93 16.97 -11.85 C:45 19.44 -11.79 C:47 18.15 -9.62 C:108 15.10 -10.35 C:79 18.15 -11.07 20 1 -2 21 2 -2 16 3 -2 17 4 -1 22 5 -1 6 15 2 18 7 -1 8 9 1 8 16 1 9 20 1 10 18 1 10 21 1 11 12 1 11 22 1 23 12 -2 13 15 1 19 13 -2 14 19 1 14 22 1 15 17 1 16 21 1 17 20 1 18 22 1 19 23 1 20 23 1 21 23 1', 'C15H22O6', 298.173, 'C', 'np02_1693_3', 4043, '', 'he intercambiado C14 con C15', '1', 47, NULL, NULL);
