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
(8306, 'Isofregenedadiol ', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH3:17][c:8]2[c:9]([CH3:20])[c:10]1[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:19])([CH3:18])[c:5]1[cH:6][c:7]2[CH2:11][CH2:12][C@H:13]([CH3:16])[CH2:14][CH2:15]O', 'Cc2c(C)c1CC[C@H](O)[C@@](C)(C)c1cc2CC[C@H](C)CCO', '[CH3:15][c:132]2[c:135]([CH3:16])[c:131]1[CH2:25][CH2:27][C@H:75](O)[C@@:39]([CH3:25])([CH3:29])[c:142]1[cH:125][c:139]2[CH2:32][CH2:39][C@H:30]([CH3:20])[CH2:40][CH2:61]O', '22 23 C:17 16.24 -9.71 C:20 13.83 -8.30 C:16 18.61 -13.95 C:19 10.53 -13.73 C:18 12.34 -13.73 O 22.17 -12.02 O 8.99 -12.51 C:6 13.83 -12.51 C:15 20.97 -12.66 C:11 16.24 -12.51 C:1 11.40 -9.71 C:14 19.81 -11.94 C:12 17.46 -11.87 C:2 10.18 -10.40 C:8 15.05 -10.40 C:9 13.83 -9.71 C:7 15.05 -11.80 C:10 12.61 -10.40 C:5 12.61 -11.80 C:13 18.61 -12.59 C:3 10.18 -11.80 C:4 11.40 -12.51 1 15 1 2 16 1 20 3 -1 22 4 -1 22 5 -2 6 9 1 21 7 -1 8 17 2 8 19 1 9 12 1 10 13 1 10 17 1 11 14 1 11 18 1 12 20 1 13 20 1 14 21 1 15 16 2 15 17 1 16 18 1 18 19 2 19 22 1 21 22 1', '22 23 C 16.24 -9.71 C 13.83 -8.30 C 18.61 -13.95 C 10.53 -13.73 C 12.34 -13.73 O 22.17 -12.02 O 8.99 -12.51 C 13.83 -12.51 C 20.97 -12.66 C 16.24 -12.51 C 11.40 -9.71 C 19.81 -11.94 C 17.46 -11.87 C 10.18 -10.40 C 15.05 -10.40 C 13.83 -9.71 C 15.05 -11.80 C 12.61 -10.40 C 12.61 -11.80 C 18.61 -12.59 C 10.18 -11.80 C 11.40 -12.51 1 15 1 2 16 1 20 3 -1 22 4 -1 22 5 -2 6 9 1 21 7 -1 8 17 2 8 19 1 9 12 1 10 13 1 10 17 1 11 14 1 11 18 1 12 20 1 13 20 1 14 21 1 15 16 2 15 17 1 16 18 1 18 19 2 19 22 1 21 22 1', '22 23 C:15 16.24 -9.71 C:16 13.83 -8.30 C:20 18.61 -13.95 C:25 10.53 -13.73 C:29 12.34 -13.73 O 22.17 -12.02 O 8.99 -12.51 C:125 13.83 -12.51 C:61 20.97 -12.66 C:32 16.24 -12.51 C:25 11.40 -9.71 C:40 19.81 -11.94 C:39 17.46 -11.87 C:27 10.18 -10.40 C:132 15.05 -10.40 C:135 13.83 -9.71 C:139 15.05 -11.80 C:131 12.61 -10.40 C:142 12.61 -11.80 C:30 18.61 -12.59 C:75 10.18 -11.80 C:39 11.40 -12.51 1 15 1 2 16 1 20 3 -1 22 4 -1 22 5 -2 6 9 1 21 7 -1 8 17 2 8 19 1 9 12 1 10 13 1 10 17 1 11 14 1 11 18 1 12 20 1 13 20 1 14 21 1 15 16 2 15 17 1 16 18 1 18 19 2 19 22 1 21 22 1', 'C20H32O2', 304.213, 'C', 'ph41_1155_3', 1456, '', '', '1', 5, NULL, NULL),
(8307, 'lsofregenedadiol diacetate ', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH3:15002][C:15001](=O)O[CH2:15][CH2:14][C@@H:13]([CH3:16])[CH2:12][CH2:11][c:7]2[cH:6][c:5]1[c:10]([CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]1([CH3:19])[CH3:18])[c:9]([CH3:20])[c:8]2[CH3:17]', 'CC(=O)OCC[C@@H](C)CCc2cc1c(CC[C@H](OC(C)=O)[C@@]1(C)C)c(C)c2C', '[CH3:21][C:171](=O)O[CH2:63][CH2:36][C@@H:30]([CH3:20])[CH2:38][CH2:32][c:139]2[cH:124][c:141]1[c:131]([CH2:25][CH2:24][C@H:77](O[C:171]([CH3:21])=O)[C@@:38]1([CH3:26])[CH3:30])[c:135]([CH3:16])[c:132]2[CH3:15]', '28 29 C:15002 24.60 -12.04 C:3002 6.58 -12.48 C:17 16.26 -9.66 C:20 13.83 -8.23 C:16 18.59 -13.90 C:19 10.52 -13.68 C:18 12.33 -13.65 O 23.40 -14.07 O 7.77 -10.41 C:6 13.83 -12.46 C:15 21.01 -12.61 C:11 16.26 -12.46 C:1 11.40 -9.65 C:14 19.85 -11.88 C:12 17.48 -11.82 C:2 10.18 -10.35 O 22.22 -11.96 O 8.97 -12.46 C:15001 23.40 -12.70 C:3001 7.77 -11.78 C:8 15.06 -10.35 C:9 13.83 -9.65 C:7 15.06 -11.75 C:5 12.61 -11.75 C:10 12.61 -10.35 C:13 18.59 -12.54 C:3 10.18 -11.75 C:4 11.40 -12.46 1 19 1 2 20 1 3 21 1 4 22 1 26 5 -1 28 6 -1 28 7 -2 8 19 2 9 20 2 10 23 2 10 24 1 11 14 1 11 17 1 12 15 1 12 23 1 13 16 1 13 25 1 14 26 1 15 26 1 16 27 1 17 19 1 18 20 1 27 18 -1 21 22 2 21 23 1 22 25 1 24 25 2 24 28 1 27 28 1', '28 29 C 24.60 -12.04 C 6.58 -12.48 C 16.26 -9.66 C 13.83 -8.23 C 18.59 -13.90 C 10.52 -13.68 C 12.33 -13.65 O 23.40 -14.07 O 7.77 -10.41 C 13.83 -12.46 C 21.01 -12.61 C 16.26 -12.46 C 11.40 -9.65 C 19.85 -11.88 C 17.48 -11.82 C 10.18 -10.35 O 22.22 -11.96 O 8.97 -12.46 C 23.40 -12.70 C 7.77 -11.78 C 15.06 -10.35 C 13.83 -9.65 C 15.06 -11.75 C 12.61 -11.75 C 12.61 -10.35 C 18.59 -12.54 C 10.18 -11.75 C 11.40 -12.46 1 19 1 2 20 1 3 21 1 4 22 1 26 5 -1 28 6 -1 28 7 -2 8 19 2 9 20 2 10 23 2 10 24 1 11 14 1 11 17 1 12 15 1 12 23 1 13 16 1 13 25 1 14 26 1 15 26 1 16 27 1 17 19 1 18 20 1 27 18 -1 21 22 2 21 23 1 22 25 1 24 25 2 24 28 1 27 28 1', '28 29 C:21 24.60 -12.04 C:21 6.58 -12.48 C:15 16.26 -9.66 C:16 13.83 -8.23 C:20 18.59 -13.90 C:26 10.52 -13.68 C:30 12.33 -13.65 O 23.40 -14.07 O 7.77 -10.41 C:124 13.83 -12.46 C:63 21.01 -12.61 C:32 16.26 -12.46 C:25 11.40 -9.65 C:36 19.85 -11.88 C:38 17.48 -11.82 C:24 10.18 -10.35 O 22.22 -11.96 O 8.97 -12.46 C:171 23.40 -12.70 C:171 7.77 -11.78 C:132 15.06 -10.35 C:135 13.83 -9.65 C:139 15.06 -11.75 C:141 12.61 -11.75 C:131 12.61 -10.35 C:30 18.59 -12.54 C:77 10.18 -11.75 C:38 11.40 -12.46 1 19 1 2 20 1 3 21 1 4 22 1 26 5 -1 28 6 -1 28 7 -2 8 19 2 9 20 2 10 23 2 10 24 1 11 14 1 11 17 1 12 15 1 12 23 1 13 16 1 13 25 1 14 26 1 15 26 1 16 27 1 17 19 1 18 20 1 27 18 -1 21 22 2 21 23 1 22 25 1 24 25 2 24 28 1 27 28 1', 'C24H36O4', 388.254, 'C', 'ph41_1155_8', 1456, '', '', '1', 5, NULL, NULL),
(8308, 'lsofregenedadiol monoacetate', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH3:3002][C:3001](=O)O[C@H:3]2[CH2:2][CH2:1][c:10]1[c:9]([CH3:20])[c:8]([CH3:17])[c:7]([CH2:11][CH2:12][C@H:13]([CH3:16])[CH2:14][CH2:15]O)[cH:6][c:5]1[C@@:4]2([CH3:18])[CH3:19]', 'CC(=O)O[C@H]2CCc1c(C)c(C)c(CC[C@H](C)CCO)cc1[C@@]2(C)C', '[CH3:21][C:171](=O)O[C@H:77]2[CH2:24][CH2:25][c:131]1[c:135]([CH3:16])[c:132]([CH3:15])[c:139]([CH2:32][CH2:39][C@H:30]([CH3:20])[CH2:40][CH2:61]O)[cH:125][c:141]1[C@@:38]2([CH3:30])[CH3:26]', '25 26 C:3002 7.73 -12.55 C:17 17.44 -9.71 C:20 15.01 -8.28 C:16 19.80 -13.98 C:18 13.30 -13.72 C:19 11.89 -13.76 O 8.91 -10.46 O 23.44 -12.03 C:6 15.01 -12.53 C:15 22.23 -12.68 C:11 17.45 -12.53 C:1 12.57 -9.70 C:14 21.06 -11.95 C:12 18.68 -11.88 C:2 11.34 -10.40 O 10.13 -12.53 C:3001 8.92 -11.85 C:8 16.25 -10.40 C:9 15.01 -9.70 C:7 16.25 -11.82 C:5 13.79 -11.82 C:10 13.79 -10.40 C:13 19.85 -12.61 C:3 11.34 -11.82 C:4 12.57 -12.53 1 17 1 2 18 1 3 19 1 23 4 -1 25 5 -2 25 6 -1 7 17 2 8 10 1 9 20 2 9 21 1 10 13 1 11 14 1 11 20 1 12 15 1 12 22 1 13 23 1 14 23 1 15 24 1 16 17 1 24 16 -1 18 19 2 18 20 1 19 22 1 21 22 2 21 25 1 24 25 1', '25 26 C 7.73 -12.55 C 17.44 -9.71 C 15.01 -8.28 C 19.80 -13.98 C 13.30 -13.72 C 11.89 -13.76 O 8.91 -10.46 O 23.44 -12.03 C 15.01 -12.53 C 22.23 -12.68 C 17.45 -12.53 C 12.57 -9.70 C 21.06 -11.95 C 18.68 -11.88 C 11.34 -10.40 O 10.13 -12.53 C 8.92 -11.85 C 16.25 -10.40 C 15.01 -9.70 C 16.25 -11.82 C 13.79 -11.82 C 13.79 -10.40 C 19.85 -12.61 C 11.34 -11.82 C 12.57 -12.53 1 17 1 2 18 1 3 19 1 23 4 -1 25 5 -2 25 6 -1 7 17 2 8 10 1 9 20 2 9 21 1 10 13 1 11 14 1 11 20 1 12 15 1 12 22 1 13 23 1 14 23 1 15 24 1 16 17 1 24 16 -1 18 19 2 18 20 1 19 22 1 21 22 2 21 25 1 24 25 1', '25 26 C:21 7.73 -12.55 C:15 17.44 -9.71 C:16 15.01 -8.28 C:20 19.80 -13.98 C:30 13.30 -13.72 C:26 11.89 -13.76 O 8.91 -10.46 O 23.44 -12.03 C:125 15.01 -12.53 C:61 22.23 -12.68 C:32 17.45 -12.53 C:25 12.57 -9.70 C:40 21.06 -11.95 C:39 18.68 -11.88 C:24 11.34 -10.40 O 10.13 -12.53 C:171 8.92 -11.85 C:132 16.25 -10.40 C:135 15.01 -9.70 C:139 16.25 -11.82 C:141 13.79 -11.82 C:131 13.79 -10.40 C:30 19.85 -12.61 C:77 11.34 -11.82 C:38 12.57 -12.53 1 17 1 2 18 1 3 19 1 23 4 -1 25 5 -2 25 6 -1 7 17 2 8 10 1 9 20 2 9 21 1 10 13 1 11 14 1 11 20 1 12 15 1 12 22 1 13 23 1 14 23 1 15 24 1 16 17 1 24 16 -1 18 19 2 18 20 1 19 22 1 21 22 2 21 25 1 24 25 1', 'C22H34O3', 346.234, 'C', 'ph41_1155_9', 1456, '', '', '1', 5, NULL, NULL),
(8309, 'Aleppicatine A', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]45[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]23[C@@H:17](O[C:17001]([CH3:17002])=O)O[C@@:13]([CH3:20])([C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([H])[C@H:5]2O[C:5001](=O)[C:5002]([CH3:5201])=[CH:5003][CH3:5004])[C@:12]3([H])[C@@:11]4([H])[C@@:10]5([CH3:19])[CH3:18]', '[H][C@]45C[C@@H](OC(C)=O)[C@@]23[C@@H](OC(C)=O)O[C@@](C)([C@@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@]1([H])[C@H]2OC(=O)C(C)=CC)[C@]3([H])[C@@]4([H])[C@@]5(C)C', '[H][C@:18]45[CH2:25][C@@H:72](O[C:170]([CH3:21])=O)[C@@:56]23[C@@H:98](O[C:169]([CH3:21])=O)O[C@@:88]([CH3:25])([C@@H:73](O[C:170]([CH3:21])=O)[C@@:90]1(O[C:171]([CH3:24])=O)[CH2:45][C@H:37]([CH3:15])[C@H:77](O[C:169]([CH3:21])=O)[C@:52]1([H])[C@H:67]2O[C:166](=O)[C:129]([CH3:14])=[CH:138][CH3:12])[C@:38]3([H])[C@@:24]4([H])[C@@:19]5([CH3:16])[CH3:28]', '52 56 H 19.67 -8.48 H 14.06 -11.74 H 17.10 -7.06 H 16.19 -7.73 C:5004 14.78 -17.32 C:7002 21.06 -11.79 C:17002 18.52 -14.46 C:3002 11.46 -15.42 C:14002 11.98 -4.94 C:15002 10.40 -6.95 C:5201 16.29 -15.02 C:16 10.03 -11.80 C:19 20.00 -7.04 C:18 18.30 -6.07 C:20 15.37 -6.49 O 19.85 -9.76 O 16.19 -14.35 O 10.22 -13.38 O 14.34 -5.52 O 10.25 -9.38 O 13.22 -13.71 C:5003 14.16 -16.10 C:8 18.71 -10.27 C:1 11.57 -9.74 O 18.62 -11.73 O 17.39 -12.33 O 12.60 -13.23 O 12.65 -7.27 O 15.05 -12.56 O 12.41 -8.30 O 15.04 -9.62 C:7001 19.85 -11.14 C:17001 17.39 -13.69 C:3001 11.46 -14.02 C:14001 12.99 -5.91 C:15001 11.02 -8.21 C:5002 14.92 -14.95 C:5001 14.30 -13.71 C:2 11.30 -11.20 C:7 17.44 -11.02 C:17 16.19 -11.66 C:3 12.61 -11.87 C:5 15.05 -11.20 C:14 13.63 -8.22 C:10 18.71 -7.39 C:9 18.71 -8.81 C:4 13.63 -10.86 C:13 15.05 -7.91 C:11 17.44 -8.10 C:12 16.19 -8.81 C:15 13.01 -9.55 C:6 16.19 -10.27 46 1 -2 47 2 -2 49 3 -2 50 4 -1 5 22 1 6 32 1 7 33 1 8 34 1 9 35 1 10 36 1 11 37 1 39 12 -1 45 13 -2 45 14 -1 48 15 -2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 21 38 2 22 37 2 23 40 1 23 46 1 24 39 1 24 51 1 25 32 1 40 25 -1 26 33 1 41 26 -1 27 34 1 42 27 -1 28 35 1 44 28 -2 29 38 1 43 29 -2 30 36 1 51 30 -1 31 41 1 31 48 1 37 38 1 39 42 1 40 52 1 52 41 -2 42 47 1 43 47 1 43 52 1 44 48 1 44 51 1 45 46 1 45 49 1 46 49 1 47 51 1 48 50 1 49 50 1 50 52 1', '52 56 H 19.67 -8.48 H 14.06 -11.74 H 17.10 -7.06 H 16.19 -7.73 C 14.78 -17.32 C 21.06 -11.79 C 18.52 -14.46 C 11.46 -15.42 C 11.98 -4.94 C 10.40 -6.95 C 16.29 -15.02 C 10.03 -11.80 C 20.00 -7.04 C 18.30 -6.07 C 15.37 -6.49 O 19.85 -9.76 O 16.19 -14.35 O 10.22 -13.38 O 14.34 -5.52 O 10.25 -9.38 O 13.22 -13.71 C 14.16 -16.10 C 18.71 -10.27 C 11.57 -9.74 O 18.62 -11.73 O 17.39 -12.33 O 12.60 -13.23 O 12.65 -7.27 O 15.05 -12.56 O 12.41 -8.30 O 15.04 -9.62 C 19.85 -11.14 C 17.39 -13.69 C 11.46 -14.02 C 12.99 -5.91 C 11.02 -8.21 C 14.92 -14.95 C 14.30 -13.71 C 11.30 -11.20 C 17.44 -11.02 C 16.19 -11.66 C 12.61 -11.87 C 15.05 -11.20 C 13.63 -8.22 C 18.71 -7.39 C 18.71 -8.81 C 13.63 -10.86 C 15.05 -7.91 C 17.44 -8.10 C 16.19 -8.81 C 13.01 -9.55 C 16.19 -10.27 46 1 -2 47 2 -2 49 3 -2 50 4 -1 5 22 1 6 32 1 7 33 1 8 34 1 9 35 1 10 36 1 11 37 1 39 12 -1 45 13 -2 45 14 -1 48 15 -2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 21 38 2 22 37 2 23 40 1 23 46 1 24 39 1 24 51 1 25 32 1 40 25 -1 26 33 1 41 26 -1 27 34 1 42 27 -1 28 35 1 44 28 -2 29 38 1 43 29 -2 30 36 1 51 30 -1 31 41 1 31 48 1 37 38 1 39 42 1 40 52 1 52 41 -2 42 47 1 43 47 1 43 52 1 44 48 1 44 51 1 45 46 1 45 49 1 46 49 1 47 51 1 48 50 1 49 50 1 50 52 1', '52 56 H 19.67 -8.48 H 14.06 -11.74 H 17.10 -7.06 H 16.19 -7.73 C:12 14.78 -17.32 C:21 21.06 -11.79 C:21 18.52 -14.46 C:21 11.46 -15.42 C:21 11.98 -4.94 C:24 10.40 -6.95 C:14 16.29 -15.02 C:15 10.03 -11.80 C:16 20.00 -7.04 C:28 18.30 -6.07 C:25 15.37 -6.49 O 19.85 -9.76 O 16.19 -14.35 O 10.22 -13.38 O 14.34 -5.52 O 10.25 -9.38 O 13.22 -13.71 C:138 14.16 -16.10 C:25 18.71 -10.27 C:45 11.57 -9.74 O 18.62 -11.73 O 17.39 -12.33 O 12.60 -13.23 O 12.65 -7.27 O 15.05 -12.56 O 12.41 -8.30 O 15.04 -9.62 C:170 19.85 -11.14 C:169 17.39 -13.69 C:169 11.46 -14.02 C:170 12.99 -5.91 C:171 11.02 -8.21 C:129 14.92 -14.95 C:166 14.30 -13.71 C:37 11.30 -11.20 C:72 17.44 -11.02 C:98 16.19 -11.66 C:77 12.61 -11.87 C:67 15.05 -11.20 C:73 13.63 -8.22 C:19 18.71 -7.39 C:18 18.71 -8.81 C:52 13.63 -10.86 C:88 15.05 -7.91 C:24 17.44 -8.10 C:38 16.19 -8.81 C:90 13.01 -9.55 C:56 16.19 -10.27 46 1 -2 47 2 -2 49 3 -2 50 4 -1 5 22 1 6 32 1 7 33 1 8 34 1 9 35 1 10 36 1 11 37 1 39 12 -1 45 13 -2 45 14 -1 48 15 -2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 21 38 2 22 37 2 23 40 1 23 46 1 24 39 1 24 51 1 25 32 1 40 25 -1 26 33 1 41 26 -1 27 34 1 42 27 -1 28 35 1 44 28 -2 29 38 1 43 29 -2 30 36 1 51 30 -1 31 41 1 31 48 1 37 38 1 39 42 1 40 52 1 52 41 -2 42 47 1 43 47 1 43 52 1 44 48 1 44 51 1 45 46 1 45 49 1 46 49 1 47 51 1 48 50 1 49 50 1 50 52 1', 'C35H48O13', 676.398, 'C', 'ph42_473_1', 1695, '', '', '1', 5, NULL, NULL),
(8310, 'Aleppicatine B', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]45[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]23[C@@H:17](O[C:17001]([CH3:17002])=O)O[C@@:13]([CH3:20])([C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O[C:15001](=O)[C:15002]([CH3:15201])=[CH:15003][CH3:15004])[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([H])[C@H:5]2O[C:5001](=O)[C:5002]([CH3:5201])=[CH:5003][CH3:5004])[C@:12]3([H])[C@@:11]4([H])[C@@:10]5([CH3:19])[CH3:18]', '[H][C@]45C[C@@H](OC(C)=O)[C@@]23[C@@H](OC(C)=O)O[C@@](C)([C@@H](OC(C)=O)[C@@]1(OC(=O)C(C)=CC)C[C@H](C)[C@H](OC(C)=O)[C@]1([H])[C@H]2OC(=O)C(C)=CC)[C@]3([H])[C@@]4([H])[C@@]5(C)C', '[H][C@:18]45[CH2:25][C@@H:72](O[C:170]([CH3:21])=O)[C@@:56]23[C@@H:98](O[C:171]([CH3:18])=O)O[C@@:88]([CH3:25])([C@@H:72](O[C:170]([CH3:21])=O)[C@@:90]1(O[C:166](=O)[C:129]([CH3:15])=[CH:139][CH3:12])[CH2:45][C@H:37]([CH3:15])[C@H:77](O[C:169]([CH3:21])=O)[C@:52]1([H])[C@H:67]2O[C:166](=O)[C:129]([CH3:14])=[CH:138][CH3:12])[C@:38]3([H])[C@@:24]4([H])[C@@:19]5([CH3:16])[CH3:28]', '55 59 H 20.51 -8.48 H 14.90 -11.74 H 17.94 -7.06 H 17.03 -7.73 C:5004 15.62 -17.32 C:15004 9.23 -5.60 C:7002 21.90 -11.79 C:17002 19.36 -14.46 C:3002 12.30 -15.42 C:14002 12.82 -4.94 C:5201 17.13 -15.02 C:15201 12.02 -5.79 C:16 10.87 -11.80 C:19 20.84 -7.04 C:18 19.14 -6.07 C:20 16.21 -6.49 O 20.69 -9.76 O 17.03 -14.35 O 11.06 -13.38 O 15.18 -5.52 O 14.06 -13.71 O 11.09 -9.38 C:5003 15.00 -16.10 C:15003 9.84 -6.85 C:8 19.55 -10.27 C:1 12.41 -9.74 O 19.46 -11.73 O 18.23 -12.33 O 13.44 -13.23 O 13.49 -7.27 O 15.89 -12.56 O 13.25 -8.30 O 15.88 -9.62 C:7001 20.69 -11.14 C:17001 18.23 -13.69 C:3001 12.30 -14.02 C:14001 13.83 -5.91 C:5002 15.76 -14.95 C:15002 11.24 -6.95 C:5001 15.14 -13.71 C:15001 11.86 -8.21 C:2 12.14 -11.20 C:7 18.28 -11.02 C:17 17.03 -11.66 C:3 13.45 -11.87 C:5 15.89 -11.20 C:14 14.47 -8.22 C:10 19.55 -7.39 C:9 19.55 -8.81 C:4 14.47 -10.86 C:13 15.89 -7.91 C:11 18.28 -8.10 C:12 17.03 -8.81 C:15 13.85 -9.55 C:6 17.03 -10.27 49 1 -2 50 2 -2 52 3 -2 53 4 -1 5 23 1 6 24 1 7 34 1 8 35 1 9 36 1 10 37 1 11 38 1 12 39 1 42 13 -1 48 14 -2 48 15 -1 51 16 -2 17 34 2 18 35 2 19 36 2 20 37 2 21 40 2 22 41 2 23 38 2 24 39 2 25 43 1 25 49 1 26 42 1 26 54 1 27 34 1 43 27 -1 28 35 1 44 28 -1 29 36 1 45 29 -1 30 37 1 47 30 -2 31 40 1 46 31 -2 32 41 1 54 32 -1 33 44 1 33 51 1 38 40 1 39 41 1 42 45 1 43 55 1 55 44 -2 45 50 1 46 50 1 46 55 1 47 51 1 47 54 1 48 49 1 48 52 1 49 52 1 50 54 1 51 53 1 52 53 1 53 55 1', '55 59 H 20.51 -8.48 H 14.90 -11.74 H 17.94 -7.06 H 17.03 -7.73 C 15.62 -17.32 C 9.23 -5.60 C 21.90 -11.79 C 19.36 -14.46 C 12.30 -15.42 C 12.82 -4.94 C 17.13 -15.02 C 12.02 -5.79 C 10.87 -11.80 C 20.84 -7.04 C 19.14 -6.07 C 16.21 -6.49 O 20.69 -9.76 O 17.03 -14.35 O 11.06 -13.38 O 15.18 -5.52 O 14.06 -13.71 O 11.09 -9.38 C 15.00 -16.10 C 9.84 -6.85 C 19.55 -10.27 C 12.41 -9.74 O 19.46 -11.73 O 18.23 -12.33 O 13.44 -13.23 O 13.49 -7.27 O 15.89 -12.56 O 13.25 -8.30 O 15.88 -9.62 C 20.69 -11.14 C 18.23 -13.69 C 12.30 -14.02 C 13.83 -5.91 C 15.76 -14.95 C 11.24 -6.95 C 15.14 -13.71 C 11.86 -8.21 C 12.14 -11.20 C 18.28 -11.02 C 17.03 -11.66 C 13.45 -11.87 C 15.89 -11.20 C 14.47 -8.22 C 19.55 -7.39 C 19.55 -8.81 C 14.47 -10.86 C 15.89 -7.91 C 18.28 -8.10 C 17.03 -8.81 C 13.85 -9.55 C 17.03 -10.27 49 1 -2 50 2 -2 52 3 -2 53 4 -1 5 23 1 6 24 1 7 34 1 8 35 1 9 36 1 10 37 1 11 38 1 12 39 1 42 13 -1 48 14 -2 48 15 -1 51 16 -2 17 34 2 18 35 2 19 36 2 20 37 2 21 40 2 22 41 2 23 38 2 24 39 2 25 43 1 25 49 1 26 42 1 26 54 1 27 34 1 43 27 -1 28 35 1 44 28 -1 29 36 1 45 29 -1 30 37 1 47 30 -2 31 40 1 46 31 -2 32 41 1 54 32 -1 33 44 1 33 51 1 38 40 1 39 41 1 42 45 1 43 55 1 55 44 -2 45 50 1 46 50 1 46 55 1 47 51 1 47 54 1 48 49 1 48 52 1 49 52 1 50 54 1 51 53 1 52 53 1 53 55 1', '55 59 H 20.51 -8.48 H 14.90 -11.74 H 17.94 -7.06 H 17.03 -7.73 C:12 15.62 -17.32 C:12 9.23 -5.60 C:21 21.90 -11.79 C:18 19.36 -14.46 C:21 12.30 -15.42 C:21 12.82 -4.94 C:14 17.13 -15.02 C:15 12.02 -5.79 C:15 10.87 -11.80 C:16 20.84 -7.04 C:28 19.14 -6.07 C:25 16.21 -6.49 O 20.69 -9.76 O 17.03 -14.35 O 11.06 -13.38 O 15.18 -5.52 O 14.06 -13.71 O 11.09 -9.38 C:138 15.00 -16.10 C:139 9.84 -6.85 C:25 19.55 -10.27 C:45 12.41 -9.74 O 19.46 -11.73 O 18.23 -12.33 O 13.44 -13.23 O 13.49 -7.27 O 15.89 -12.56 O 13.25 -8.30 O 15.88 -9.62 C:170 20.69 -11.14 C:171 18.23 -13.69 C:169 12.30 -14.02 C:170 13.83 -5.91 C:129 15.76 -14.95 C:129 11.24 -6.95 C:166 15.14 -13.71 C:166 11.86 -8.21 C:37 12.14 -11.20 C:72 18.28 -11.02 C:98 17.03 -11.66 C:77 13.45 -11.87 C:67 15.89 -11.20 C:72 14.47 -8.22 C:19 19.55 -7.39 C:18 19.55 -8.81 C:52 14.47 -10.86 C:88 15.89 -7.91 C:24 18.28 -8.10 C:38 17.03 -8.81 C:90 13.85 -9.55 C:56 17.03 -10.27 49 1 -2 50 2 -2 52 3 -2 53 4 -1 5 23 1 6 24 1 7 34 1 8 35 1 9 36 1 10 37 1 11 38 1 12 39 1 42 13 -1 48 14 -2 48 15 -1 51 16 -2 17 34 2 18 35 2 19 36 2 20 37 2 21 40 2 22 41 2 23 38 2 24 39 2 25 43 1 25 49 1 26 42 1 26 54 1 27 34 1 43 27 -1 28 35 1 44 28 -1 29 36 1 45 29 -1 30 37 1 47 30 -2 31 40 1 46 31 -2 32 41 1 54 32 -1 33 44 1 33 51 1 38 40 1 39 41 1 42 45 1 43 55 1 55 44 -2 45 50 1 46 50 1 46 55 1 47 51 1 47 54 1 48 49 1 48 52 1 49 52 1 50 54 1 51 53 1 52 53 1 53 55 1', 'C38H52O13', 716.431, 'C', 'ph42_473_2', 1695, '', '', '1', 5, NULL, NULL),
(8311, 'Taiwaniaquinone  D', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[CH3:17][CH:15]([CH3:16])[c:13]3[c:12](O)[c:11](=O)[c:9]2[c:8]([C:7]([CH:6]=O)=[C:5]1[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@@:10]12[CH3:20])[c:14]3=O', 'CC(C)c3c(O)c(=O)c2c(C(C=O)=C1[C@](C)(C)CCC[C@@]12C)c3=O', '[CH3:20][CH:24]([CH3:20])[c:123]3[c:152](O)[c:177](=O)[c:148]2[c:147]([C:134]([CH:194]=O)=[C:177]1[C@:38]([CH3:26])([CH3:34])[CH2:43][CH2:18][CH2:35][C@@:56]12[CH3:21])[c:185]3=O', '24 26 C:17 19.97 -11.24 C:16 19.72 -8.84 C:19 11.41 -14.06 C:18 13.40 -14.16 C:20 13.66 -9.59 O 16.78 -14.42 O 14.74 -8.17 O 18.00 -12.65 O 17.49 -7.87 C:6 15.42 -14.14 C:2 11.21 -10.98 C:3 11.21 -12.39 C:1 12.42 -10.25 C:7 15.00 -12.81 C:5 13.66 -12.39 C:12 16.94 -9.13 C:8 15.81 -11.69 C:13 17.76 -10.26 C:9 15.00 -10.55 C:11 15.56 -9.28 C:14 17.19 -11.53 C:15 19.14 -10.11 C:4 12.42 -13.09 C:10 13.66 -10.98 1 22 1 2 22 1 23 3 -1 23 4 -2 24 5 -1 6 10 2 7 20 2 8 21 2 9 16 1 10 14 1 11 12 1 11 13 1 12 23 1 13 24 1 14 15 2 14 17 1 15 23 1 15 24 1 16 18 2 16 20 1 17 19 2 17 21 1 18 21 1 18 22 1 19 20 1 19 24 1', '24 26 C 19.97 -11.24 C 19.72 -8.84 C 11.41 -14.06 C 13.40 -14.16 C 13.66 -9.59 O 16.78 -14.42 O 14.74 -8.17 O 18.00 -12.65 O 17.49 -7.87 C 15.42 -14.14 C 11.21 -10.98 C 11.21 -12.39 C 12.42 -10.25 C 15.00 -12.81 C 13.66 -12.39 C 16.94 -9.13 C 15.81 -11.69 C 17.76 -10.26 C 15.00 -10.55 C 15.56 -9.28 C 17.19 -11.53 C 19.14 -10.11 C 12.42 -13.09 C 13.66 -10.98 1 22 1 2 22 1 23 3 -1 23 4 -2 24 5 -1 6 10 2 7 20 2 8 21 2 9 16 1 10 14 1 11 12 1 11 13 1 12 23 1 13 24 1 14 15 2 14 17 1 15 23 1 15 24 1 16 18 2 16 20 1 17 19 2 17 21 1 18 21 1 18 22 1 19 20 1 19 24 1', '24 26 C:20 19.97 -11.24 C:20 19.72 -8.84 C:26 11.41 -14.06 C:34 13.40 -14.16 C:21 13.66 -9.59 O 16.78 -14.42 O 14.74 -8.17 O 18.00 -12.65 O 17.49 -7.87 C:194 15.42 -14.14 C:18 11.21 -10.98 C:43 11.21 -12.39 C:35 12.42 -10.25 C:134 15.00 -12.81 C:177 13.66 -12.39 C:152 16.94 -9.13 C:147 15.81 -11.69 C:123 17.76 -10.26 C:148 15.00 -10.55 C:177 15.56 -9.28 C:185 17.19 -11.53 C:24 19.14 -10.11 C:38 12.42 -13.09 C:56 13.66 -10.98 1 22 1 2 22 1 23 3 -1 23 4 -2 24 5 -1 6 10 2 7 20 2 8 21 2 9 16 1 10 14 1 11 12 1 11 13 1 12 23 1 13 24 1 14 15 2 14 17 1 15 23 1 15 24 1 16 18 2 16 20 1 17 19 2 17 21 1 18 21 1 18 22 1 19 20 1 19 24 1', 'C20H24O4', 328.212, 'C', 'ph42_1657_1', 1323, '', '', '1', 5, NULL, NULL),
(8312, 'Taiwaniaquinone  E', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[H][C@@:5]23[C@@H:7]([C:6](=O)O[CH3:6001])[c:8]1[c:9]([c:11](=O)[c:12](O)[c:13]([CH:15]([CH3:17])[CH3:16])[c:14]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H](C(=O)OC)c1c(c(=O)c(O)c(C(C)C)c1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:62]23[C@@H:47]([C:174](=O)O[CH3:52])[c:149]1[c:152]([c:181](=O)[c:151](O)[c:125]([CH:24]([CH3:20])[CH3:20])[c:185]1=O)[C@@:48]2([CH3:20])[CH2:34][CH2:19][CH2:41][C@@:34]3([CH3:21])[CH3:32]', '27 29 H 13.61 -12.29 C:6001 14.89 -15.51 C:17 20.01 -10.21 C:16 19.75 -7.77 C:19 11.33 -13.06 C:18 13.35 -13.16 C:20 13.61 -8.53 O 16.78 -13.43 O 14.71 -7.09 O 18.01 -11.63 O 17.50 -6.79 C:2 11.13 -9.94 C:3 11.13 -11.37 C:1 12.36 -9.20 O 14.46 -14.17 C:6 15.40 -13.14 C:12 16.94 -8.07 C:13 17.77 -9.21 C:8 15.79 -10.66 C:9 14.97 -9.51 C:11 15.54 -8.22 C:14 17.19 -10.50 C:15 19.17 -9.06 C:7 14.97 -11.80 C:4 12.36 -12.08 C:10 13.61 -9.94 C:5 13.61 -11.37 27 1 -2 2 15 1 3 23 1 4 23 1 25 5 -1 25 6 -2 26 7 -1 8 16 2 9 21 2 10 22 2 11 17 1 12 13 1 12 14 1 13 25 1 14 26 1 15 16 1 24 16 -2 17 18 2 17 21 1 18 22 1 18 23 1 19 20 2 19 22 1 19 24 1 20 21 1 20 26 1 24 27 1 25 27 1 26 27 1', '27 29 H 13.61 -12.29 C 14.89 -15.51 C 20.01 -10.21 C 19.75 -7.77 C 11.33 -13.06 C 13.35 -13.16 C 13.61 -8.53 O 16.78 -13.43 O 14.71 -7.09 O 18.01 -11.63 O 17.50 -6.79 C 11.13 -9.94 C 11.13 -11.37 C 12.36 -9.20 O 14.46 -14.17 C 15.40 -13.14 C 16.94 -8.07 C 17.77 -9.21 C 15.79 -10.66 C 14.97 -9.51 C 15.54 -8.22 C 17.19 -10.50 C 19.17 -9.06 C 14.97 -11.80 C 12.36 -12.08 C 13.61 -9.94 C 13.61 -11.37 27 1 -2 2 15 1 3 23 1 4 23 1 25 5 -1 25 6 -2 26 7 -1 8 16 2 9 21 2 10 22 2 11 17 1 12 13 1 12 14 1 13 25 1 14 26 1 15 16 1 24 16 -2 17 18 2 17 21 1 18 22 1 18 23 1 19 20 2 19 22 1 19 24 1 20 21 1 20 26 1 24 27 1 25 27 1 26 27 1', '27 29 H 13.61 -12.29 C:52 14.89 -15.51 C:20 20.01 -10.21 C:20 19.75 -7.77 C:21 11.33 -13.06 C:32 13.35 -13.16 C:20 13.61 -8.53 O 16.78 -13.43 O 14.71 -7.09 O 18.01 -11.63 O 17.50 -6.79 C:19 11.13 -9.94 C:41 11.13 -11.37 C:34 12.36 -9.20 O 14.46 -14.17 C:174 15.40 -13.14 C:151 16.94 -8.07 C:125 17.77 -9.21 C:149 15.79 -10.66 C:152 14.97 -9.51 C:181 15.54 -8.22 C:185 17.19 -10.50 C:24 19.17 -9.06 C:47 14.97 -11.80 C:34 12.36 -12.08 C:48 13.61 -9.94 C:62 13.61 -11.37 27 1 -2 2 15 1 3 23 1 4 23 1 25 5 -1 25 6 -2 26 7 -1 8 16 2 9 21 2 10 22 2 11 17 1 12 13 1 12 14 1 13 25 1 14 26 1 15 16 1 24 16 -2 17 18 2 17 21 1 18 22 1 18 23 1 19 20 2 19 22 1 19 24 1 20 21 1 20 26 1 24 27 1 25 27 1 26 27 1', 'C21H28O5', 360.23, 'C', 'ph42_1657_2', 1323, '', '', '1', 5, NULL, NULL),
(8313, 'Taiwaniadduct  A', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[H][C@@:5]34[C@@H:7]([CH:6]=O)[C@@:8]12[CH2:101][CH:102]=[C:103]([CH2:104][CH2:105][CH:106]=[C:107]([CH3:109])[CH3:108])[CH2:110][C@@:9]1([C:11](=O)[C:13](O)=[C:12]([CH:15]([CH3:16])[CH3:17])[C:14]2=O)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@@H](C=O)[C@@]12CC=C(CCC=C(C)C)C[C@@]1(C(=O)C(O)=C(C(C)C)C2=O)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:53]34[C@@H:56]([CH:204]=O)[C@@:61]12[CH2:33][CH:121]=[C:141]([CH2:37][CH2:25][CH:124]=[C:132]([CH3:18])[CH3:26])[CH2:35][C@@:63]1([C:199](=O)[C:131](O)=[C:155]([CH:25]([CH3:19])[CH3:20])[C:201]2=O)[C@@:49]3([CH3:20])[CH2:33][CH2:19][CH2:42][C@@:34]4([CH3:22])[CH3:36]', '35 38 H 12.70 -14.50 C:109 20.95 -8.44 C:108 20.71 -5.95 C:16 18.49 -9.56 C:17 18.31 -11.76 C:19 10.80 -15.47 C:18 12.24 -15.42 C:20 12.70 -10.63 O 13.56 -16.37 O 12.71 -9.50 O 16.03 -12.26 O 14.27 -7.86 C:6 14.52 -15.31 C:106 18.67 -7.41 C:102 16.92 -11.32 C:105 18.10 -8.72 C:2 10.23 -12.08 C:104 16.67 -8.85 C:101 16.35 -12.64 C:3 10.23 -13.50 C:1 11.49 -11.34 C:110 14.66 -10.32 C:107 20.12 -7.26 C:103 16.08 -10.17 C:11 13.91 -10.21 C:14 15.38 -11.89 C:13 14.52 -9.24 C:12 15.57 -10.71 C:15 17.54 -10.58 C:7 14.07 -13.93 C:4 11.49 -14.22 C:5 12.71 -13.50 C:10 12.70 -12.08 C:8 14.91 -12.78 C:9 14.07 -11.62 32 1 -2 2 23 1 3 23 1 4 29 1 5 29 1 31 6 -1 31 7 -2 33 8 -1 9 13 2 10 25 2 11 26 2 12 27 1 30 13 -2 14 16 1 14 23 2 15 19 1 15 24 2 16 18 1 17 20 1 17 21 1 18 24 1 19 34 1 20 31 1 21 33 1 22 24 1 22 35 1 25 27 1 35 25 -1 26 28 1 34 26 -1 27 28 2 28 29 1 30 32 1 30 34 1 31 32 1 32 33 1 33 35 1 34 35 1', '35 38 H 12.70 -14.50 C 20.95 -8.44 C 20.71 -5.95 C 18.49 -9.56 C 18.31 -11.76 C 10.80 -15.47 C 12.24 -15.42 C 12.70 -10.63 O 13.56 -16.37 O 12.71 -9.50 O 16.03 -12.26 O 14.27 -7.86 C 14.52 -15.31 C 18.67 -7.41 C 16.92 -11.32 C 18.10 -8.72 C 10.23 -12.08 C 16.67 -8.85 C 16.35 -12.64 C 10.23 -13.50 C 11.49 -11.34 C 14.66 -10.32 C 20.12 -7.26 C 16.08 -10.17 C 13.91 -10.21 C 15.38 -11.89 C 14.52 -9.24 C 15.57 -10.71 C 17.54 -10.58 C 14.07 -13.93 C 11.49 -14.22 C 12.71 -13.50 C 12.70 -12.08 C 14.91 -12.78 C 14.07 -11.62 32 1 -2 2 23 1 3 23 1 4 29 1 5 29 1 31 6 -1 31 7 -2 33 8 -1 9 13 2 10 25 2 11 26 2 12 27 1 30 13 -2 14 16 1 14 23 2 15 19 1 15 24 2 16 18 1 17 20 1 17 21 1 18 24 1 19 34 1 20 31 1 21 33 1 22 24 1 22 35 1 25 27 1 35 25 -1 26 28 1 34 26 -1 27 28 2 28 29 1 30 32 1 30 34 1 31 32 1 32 33 1 33 35 1 34 35 1', '35 38 H 12.70 -14.50 C:18 20.95 -8.44 C:26 20.71 -5.95 C:19 18.49 -9.56 C:20 18.31 -11.76 C:22 10.80 -15.47 C:36 12.24 -15.42 C:20 12.70 -10.63 O 13.56 -16.37 O 12.71 -9.50 O 16.03 -12.26 O 14.27 -7.86 C:204 14.52 -15.31 C:124 18.67 -7.41 C:121 16.92 -11.32 C:25 18.10 -8.72 C:19 10.23 -12.08 C:37 16.67 -8.85 C:33 16.35 -12.64 C:42 10.23 -13.50 C:33 11.49 -11.34 C:35 14.66 -10.32 C:132 20.12 -7.26 C:141 16.08 -10.17 C:199 13.91 -10.21 C:201 15.38 -11.89 C:131 14.52 -9.24 C:155 15.57 -10.71 C:25 17.54 -10.58 C:56 14.07 -13.93 C:34 11.49 -14.22 C:53 12.71 -13.50 C:49 12.70 -12.08 C:61 14.91 -12.78 C:63 14.07 -11.62 32 1 -2 2 23 1 3 23 1 4 29 1 5 29 1 31 6 -1 31 7 -2 33 8 -1 9 13 2 10 25 2 11 26 2 12 27 1 30 13 -2 14 16 1 14 23 2 15 19 1 15 24 2 16 18 1 17 20 1 17 21 1 18 24 1 19 34 1 20 31 1 21 33 1 22 24 1 22 35 1 25 27 1 35 25 -1 26 28 1 34 26 -1 27 28 2 28 29 1 30 32 1 30 34 1 31 32 1 32 33 1 33 35 1 34 35 1', 'C30H42O4', 466.327, 'C', 'ph42_1657_3', 1323, '', '', '1', 5, NULL, NULL),
(8314, 'Taiwaniadduct  B', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[H][C@@:105]56[CH2:106][CH2:107][C:108](=[CH2:117])[C@H:109]([CH2:111][C@H:112]1[C:113]([CH3:116])=[CH:114][CH2:115][C@@:8]24[C:14](=O)[C:13]([CH:15]([CH3:16])[CH3:17])=[C:12](O[CH3:12001])[C:11](=O)[C@@:9]12[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]([CH3:19])([CH3:18])[C@:5]3([H])[C@H:7]4[CH:6]=O)[C@@:110]5([CH3:120])[CH2:101][CH2:102][CH2:103][C@@:104]6([CH3:119])[C:118](=O)O[CH3:118001]', '[H][C@@]56CCC(=C)[C@H](C[C@H]1C(C)=CC[C@@]24C(=O)C(C(C)C)=C(OC)C(=O)[C@@]12[C@@]3(C)CCC[C@@](C)(C)[C@]3([H])[C@H]4C=O)[C@@]5(C)CCC[C@@]6(C)C(=O)OC', '[H][C@@:50]56[CH2:26][CH2:38][C:147](=[CH2:109])[C@H:54]([CH2:27][C@H:40]1[C:144]([CH3:24])=[CH:120][CH2:32][C@@:61]24[C:201](=O)[C:141]([CH:26]([CH3:21])[CH3:19])=[C:159](O[CH3:52])[C:199](=O)[C@@:66]12[C@@:51]3([CH3:20])[CH2:35][CH2:18][CH2:42][C@@:34]([CH3:22])([CH3:36])[C@:54]3([H])[C@H:56]4[CH:205]=O)[C@@:39]5([CH3:15])[CH2:37][CH2:19][CH2:37][C@@:48]6([CH3:16])[C:179](=O)O[CH3:60]', '50 55 H 16.19 -6.84 H 13.88 -16.73 C:117 12.57 -9.97 C:118001 16.77 -3.58 C:12001 12.90 -11.18 C:116 17.86 -11.13 C:16 19.73 -11.77 C:17 19.54 -14.00 C:19 11.74 -17.76 C:18 13.61 -17.71 C:119 18.12 -5.98 C:120 16.19 -10.61 C:20 13.88 -12.86 O 14.74 -18.67 O 15.36 -5.97 O 13.88 -11.71 O 17.24 -14.50 C:6 15.70 -17.58 C:114 18.12 -13.55 C:102 18.63 -9.26 C:2 11.37 -14.32 C:107 13.79 -7.88 C:115 17.56 -14.88 C:3 11.37 -15.75 C:103 18.63 -7.86 C:101 17.41 -9.95 C:106 15.02 -7.17 C:1 12.63 -13.57 C:111 15.02 -11.38 O 17.41 -4.77 O 14.25 -10.87 C:108 13.79 -9.28 C:113 17.24 -12.39 C:118 16.77 -5.98 C:11 15.10 -12.43 C:14 16.56 -14.13 C:12 15.70 -11.45 C:13 16.77 -12.94 C:15 18.78 -12.82 C:109 15.02 -9.96 C:112 15.85 -12.54 C:7 15.27 -16.19 C:4 12.63 -16.47 C:105 16.19 -7.86 C:104 17.41 -7.16 C:5 13.88 -15.75 C:110 16.19 -9.26 C:10 13.88 -14.32 C:8 16.09 -15.02 C:9 15.27 -13.86 44 1 -2 46 2 -2 3 32 2 4 30 1 5 31 1 6 33 1 7 39 1 8 39 1 43 9 -1 43 10 -2 45 11 -1 47 12 -1 48 13 -1 14 18 2 15 34 2 16 35 2 17 36 2 42 18 -2 19 23 1 19 33 2 20 25 1 20 26 1 21 24 1 21 28 1 22 27 1 22 32 1 49 23 -2 24 43 1 25 45 1 26 47 1 27 44 1 28 48 1 40 29 -1 41 29 -1 30 34 1 31 37 1 32 40 1 33 41 1 45 34 -2 35 37 1 35 50 1 36 38 1 36 49 1 37 38 2 38 39 1 40 47 1 50 41 -2 42 46 1 42 49 1 43 46 1 44 45 1 44 47 1 46 48 1 48 50 1 49 50 1', '50 55 H 16.19 -6.84 H 13.88 -16.73 C 12.57 -9.97 C 16.77 -3.58 C 12.90 -11.18 C 17.86 -11.13 C 19.73 -11.77 C 19.54 -14.00 C 11.74 -17.76 C 13.61 -17.71 C 18.12 -5.98 C 16.19 -10.61 C 13.88 -12.86 O 14.74 -18.67 O 15.36 -5.97 O 13.88 -11.71 O 17.24 -14.50 C 15.70 -17.58 C 18.12 -13.55 C 18.63 -9.26 C 11.37 -14.32 C 13.79 -7.88 C 17.56 -14.88 C 11.37 -15.75 C 18.63 -7.86 C 17.41 -9.95 C 15.02 -7.17 C 12.63 -13.57 C 15.02 -11.38 O 17.41 -4.77 O 14.25 -10.87 C 13.79 -9.28 C 17.24 -12.39 C 16.77 -5.98 C 15.10 -12.43 C 16.56 -14.13 C 15.70 -11.45 C 16.77 -12.94 C 18.78 -12.82 C 15.02 -9.96 C 15.85 -12.54 C 15.27 -16.19 C 12.63 -16.47 C 16.19 -7.86 C 17.41 -7.16 C 13.88 -15.75 C 16.19 -9.26 C 13.88 -14.32 C 16.09 -15.02 C 15.27 -13.86 44 1 -2 46 2 -2 3 32 2 4 30 1 5 31 1 6 33 1 7 39 1 8 39 1 43 9 -1 43 10 -2 45 11 -1 47 12 -1 48 13 -1 14 18 2 15 34 2 16 35 2 17 36 2 42 18 -2 19 23 1 19 33 2 20 25 1 20 26 1 21 24 1 21 28 1 22 27 1 22 32 1 49 23 -2 24 43 1 25 45 1 26 47 1 27 44 1 28 48 1 40 29 -1 41 29 -1 30 34 1 31 37 1 32 40 1 33 41 1 45 34 -2 35 37 1 35 50 1 36 38 1 36 49 1 37 38 2 38 39 1 40 47 1 50 41 -2 42 46 1 42 49 1 43 46 1 44 45 1 44 47 1 46 48 1 48 50 1 49 50 1', '50 55 H 16.19 -6.84 H 13.88 -16.73 C:109 12.57 -9.97 C:60 16.77 -3.58 C:52 12.90 -11.18 C:24 17.86 -11.13 C:21 19.73 -11.77 C:19 19.54 -14.00 C:22 11.74 -17.76 C:36 13.61 -17.71 C:16 18.12 -5.98 C:15 16.19 -10.61 C:20 13.88 -12.86 O 14.74 -18.67 O 15.36 -5.97 O 13.88 -11.71 O 17.24 -14.50 C:205 15.70 -17.58 C:120 18.12 -13.55 C:19 18.63 -9.26 C:18 11.37 -14.32 C:38 13.79 -7.88 C:32 17.56 -14.88 C:42 11.37 -15.75 C:37 18.63 -7.86 C:37 17.41 -9.95 C:26 15.02 -7.17 C:35 12.63 -13.57 C:27 15.02 -11.38 O 17.41 -4.77 O 14.25 -10.87 C:147 13.79 -9.28 C:144 17.24 -12.39 C:179 16.77 -5.98 C:199 15.10 -12.43 C:201 16.56 -14.13 C:159 15.70 -11.45 C:141 16.77 -12.94 C:26 18.78 -12.82 C:54 15.02 -9.96 C:40 15.85 -12.54 C:56 15.27 -16.19 C:34 12.63 -16.47 C:50 16.19 -7.86 C:48 17.41 -7.16 C:54 13.88 -15.75 C:39 16.19 -9.26 C:51 13.88 -14.32 C:61 16.09 -15.02 C:66 15.27 -13.86 44 1 -2 46 2 -2 3 32 2 4 30 1 5 31 1 6 33 1 7 39 1 8 39 1 43 9 -1 43 10 -2 45 11 -1 47 12 -1 48 13 -1 14 18 2 15 34 2 16 35 2 17 36 2 42 18 -2 19 23 1 19 33 2 20 25 1 20 26 1 21 24 1 21 28 1 22 27 1 22 32 1 49 23 -2 24 43 1 25 45 1 26 47 1 27 44 1 28 48 1 40 29 -1 41 29 -1 30 34 1 31 37 1 32 40 1 33 41 1 45 34 -2 35 37 1 35 50 1 36 38 1 36 49 1 37 38 2 38 39 1 40 47 1 50 41 -2 42 46 1 42 49 1 43 46 1 44 45 1 44 47 1 46 48 1 48 50 1 49 50 1', 'C42H60O6', 660.462, 'C', 'ph42_1657_4m', 1323, '', '', '1', 5, NULL, NULL),
(8315, 'Taiwaniadduct  C', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Abietanes', '[H][C@@:105]56[CH2:106][CH2:107][C:108](=[CH2:117])[C@H:109]([CH2:111][C@@H:112]1[CH:113]=[C:114]([CH3:116])[CH2:115][C@:9]24[C:11](=O)[C:12](O[CH3:1201])=[C:13]([CH:15]([CH3:16])[CH3:17])[C:14](=O)[C@:8]12[C@H:7]([CH:6]=O)[C@@:5]3([H])[C@:4]([CH3:19])([CH3:18])[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20])[C@@:110]5([CH3:120])[CH2:101][CH2:102][CH2:103][C@@:104]6([CH3:119])[C:118](=O)O[CH3:118001]', '[H][C@@]56CCC(=C)[C@H](C[C@@H]1C=C(C)C[C@]24C(=O)C(OC)=C(C(C)C)C(=O)[C@]12[C@H](C=O)[C@@]3([H])[C@](C)(C)CCC[C@@]34C)[C@@]5(C)CCC[C@@]6(C)C(=O)OC', '[H][C@@:50]56[CH2:26][CH2:38][C:148](=[CH2:107])[C@H:56]([CH2:27][C@@H:50]1[CH:138]=[C:125]([CH3:24])[CH2:27][C@:60]24[C:199](=O)[C:160](O[CH3:52])=[C:144]([CH:25]([CH3:20])[CH3:20])[C:202](=O)[C@:65]12[C@H:59]([CH:205]=O)[C@@:34]3([H])[C@:55]([CH3:22])([CH3:35])[CH2:41][CH2:18][CH2:32][C@@:52]34[CH3:22])[C@@:40]5([CH3:14])[CH2:37][CH2:19][CH2:37][C@@:48]6([CH3:17])[C:179](=O)O[CH3:60]', '50 55 H 19.46 -14.98 H 11.51 -12.40 C:117 18.48 -10.30 C:118001 22.19 -16.20 C:1201 14.56 -5.05 C:116 15.50 -6.75 C:16 17.39 -7.46 C:17 17.31 -9.65 C:19 9.58 -13.42 C:18 11.04 -13.38 C:119 18.85 -17.29 C:120 16.05 -13.09 C:20 11.51 -8.49 O 12.36 -14.32 O 20.49 -14.46 O 11.51 -7.35 O 14.87 -10.18 C:6 13.35 -13.25 C:113 15.76 -9.21 C:102 16.04 -15.92 C:2 9.00 -10.00 C:107 19.69 -12.41 C:3 9.00 -11.43 C:103 17.25 -16.62 C:101 16.04 -14.51 C:106 19.69 -13.80 C:1 10.28 -9.23 C:111 16.06 -11.66 C:115 13.49 -8.19 O 20.83 -16.55 O 13.33 -5.75 C:114 14.92 -8.04 C:108 18.48 -11.70 C:118 19.84 -15.56 C:11 12.71 -8.08 C:14 14.19 -9.80 C:12 13.33 -7.11 C:13 14.40 -8.78 C:15 16.47 -8.51 C:112 15.21 -10.55 C:109 17.25 -12.41 C:7 12.89 -11.86 C:4 10.28 -12.16 C:105 18.48 -14.51 C:104 18.48 -15.92 C:5 11.51 -11.43 C:110 17.25 -13.80 C:10 11.51 -10.00 C:9 12.89 -9.53 C:8 13.73 -10.69 44 1 -2 46 2 -2 3 33 2 4 30 1 5 31 1 6 32 1 7 39 1 8 39 1 43 9 -1 43 10 -2 45 11 -1 47 12 -1 48 13 -1 14 18 2 15 34 2 16 35 2 17 36 2 42 18 -2 19 32 2 19 40 1 20 24 1 20 25 1 21 23 1 21 27 1 22 26 1 22 33 1 23 43 1 24 45 1 25 47 1 26 44 1 27 48 1 40 28 -1 41 28 -1 29 32 1 49 29 -2 30 34 1 31 37 1 33 41 1 45 34 -2 35 37 1 35 49 1 36 38 1 36 50 1 37 38 2 38 39 1 50 40 -2 41 47 1 42 46 1 42 50 1 43 46 1 44 45 1 44 47 1 46 48 1 48 49 1 49 50 1', '50 55 H 19.46 -14.98 H 11.51 -12.40 C 18.48 -10.30 C 22.19 -16.20 C 14.56 -5.05 C 15.50 -6.75 C 17.39 -7.46 C 17.31 -9.65 C 9.58 -13.42 C 11.04 -13.38 C 18.85 -17.29 C 16.05 -13.09 C 11.51 -8.49 O 12.36 -14.32 O 20.49 -14.46 O 11.51 -7.35 O 14.87 -10.18 C 13.35 -13.25 C 15.76 -9.21 C 16.04 -15.92 C 9.00 -10.00 C 19.69 -12.41 C 9.00 -11.43 C 17.25 -16.62 C 16.04 -14.51 C 19.69 -13.80 C 10.28 -9.23 C 16.06 -11.66 C 13.49 -8.19 O 20.83 -16.55 O 13.33 -5.75 C 14.92 -8.04 C 18.48 -11.70 C 19.84 -15.56 C 12.71 -8.08 C 14.19 -9.80 C 13.33 -7.11 C 14.40 -8.78 C 16.47 -8.51 C 15.21 -10.55 C 17.25 -12.41 C 12.89 -11.86 C 10.28 -12.16 C 18.48 -14.51 C 18.48 -15.92 C 11.51 -11.43 C 17.25 -13.80 C 11.51 -10.00 C 12.89 -9.53 C 13.73 -10.69 44 1 -2 46 2 -2 3 33 2 4 30 1 5 31 1 6 32 1 7 39 1 8 39 1 43 9 -1 43 10 -2 45 11 -1 47 12 -1 48 13 -1 14 18 2 15 34 2 16 35 2 17 36 2 42 18 -2 19 32 2 19 40 1 20 24 1 20 25 1 21 23 1 21 27 1 22 26 1 22 33 1 23 43 1 24 45 1 25 47 1 26 44 1 27 48 1 40 28 -1 41 28 -1 29 32 1 49 29 -2 30 34 1 31 37 1 33 41 1 45 34 -2 35 37 1 35 49 1 36 38 1 36 50 1 37 38 2 38 39 1 50 40 -2 41 47 1 42 46 1 42 50 1 43 46 1 44 45 1 44 47 1 46 48 1 48 49 1 49 50 1', '50 55 H 19.46 -14.98 H 11.51 -12.40 C:107 18.48 -10.30 C:60 22.19 -16.20 C:52 14.56 -5.05 C:24 15.50 -6.75 C:20 17.39 -7.46 C:20 17.31 -9.65 C:22 9.58 -13.42 C:35 11.04 -13.38 C:17 18.85 -17.29 C:14 16.05 -13.09 C:22 11.51 -8.49 O 12.36 -14.32 O 20.49 -14.46 O 11.51 -7.35 O 14.87 -10.18 C:205 13.35 -13.25 C:138 15.76 -9.21 C:19 16.04 -15.92 C:18 9.00 -10.00 C:38 19.69 -12.41 C:41 9.00 -11.43 C:37 17.25 -16.62 C:37 16.04 -14.51 C:26 19.69 -13.80 C:32 10.28 -9.23 C:27 16.06 -11.66 C:27 13.49 -8.19 O 20.83 -16.55 O 13.33 -5.75 C:125 14.92 -8.04 C:148 18.48 -11.70 C:179 19.84 -15.56 C:199 12.71 -8.08 C:202 14.19 -9.80 C:160 13.33 -7.11 C:144 14.40 -8.78 C:25 16.47 -8.51 C:50 15.21 -10.55 C:56 17.25 -12.41 C:59 12.89 -11.86 C:55 10.28 -12.16 C:50 18.48 -14.51 C:48 18.48 -15.92 C:34 11.51 -11.43 C:40 17.25 -13.80 C:52 11.51 -10.00 C:60 12.89 -9.53 C:65 13.73 -10.69 44 1 -2 46 2 -2 3 33 2 4 30 1 5 31 1 6 32 1 7 39 1 8 39 1 43 9 -1 43 10 -2 45 11 -1 47 12 -1 48 13 -1 14 18 2 15 34 2 16 35 2 17 36 2 42 18 -2 19 32 2 19 40 1 20 24 1 20 25 1 21 23 1 21 27 1 22 26 1 22 33 1 23 43 1 24 45 1 25 47 1 26 44 1 27 48 1 40 28 -1 41 28 -1 29 32 1 49 29 -2 30 34 1 31 37 1 33 41 1 45 34 -2 35 37 1 35 49 1 36 38 1 36 50 1 37 38 2 38 39 1 50 40 -2 41 47 1 42 46 1 42 50 1 43 46 1 44 45 1 44 47 1 46 48 1 48 49 1 49 50 1', 'C42H60O6', 660.462, 'C', 'ph42_1657_5m', 1323, '', '', '1', 5, NULL, NULL),
(8316, 'Lepistal', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH2:20]=[C:3]([CH:4]=O)[C@@:2]23[CH:1]=[C:11]1[C:12](=O)[CH2:13][C@H:14]([CH:15]([CH3:16])[CH3:17])[C@@:10]1([CH3:18])[CH2:9][CH2:8][C@:7]2([CH3:19])[CH2:6][C:5](=O)O3', 'C=C(C=O)[C@@]23C=C1C(=O)C[C@H](C(C)C)[C@@]1(C)CC[C@]2(C)CC(=O)O3', '[CH2:138]=[C:149]([CH:192]=O)[C@@:89]23[CH:127]=[C:151]1[C:206](=O)[CH2:39][C@H:49]([CH:28]([CH3:24])[CH3:22])[C@@:46]1([CH3:22])[CH2:31][CH2:37][C@:46]2([CH3:26])[CH2:41][C:176](=O)O3', '24 26 C:20 17.66 -8.43 C:16 10.60 -13.42 C:17 12.68 -14.67 C:19 17.57 -13.48 C:18 13.79 -13.48 O 14.98 -7.62 O 20.57 -10.64 O 13.21 -8.64 C:4 15.29 -8.97 C:1 15.68 -10.13 C:8 16.38 -13.21 C:9 14.98 -13.21 C:13 12.17 -10.96 C:6 18.65 -12.25 O 18.15 -10.02 C:3 16.63 -9.39 C:5 19.20 -10.96 C:12 13.21 -10.02 C:11 14.41 -10.75 C:15 12.00 -13.44 C:14 12.72 -12.25 C:7 17.25 -12.13 C:10 14.10 -12.13 C:2 16.94 -10.75 1 16 2 2 20 1 3 20 1 22 4 -2 23 5 -1 6 9 2 7 17 2 8 18 2 9 16 1 10 19 2 10 24 1 11 12 1 11 22 1 12 23 1 13 18 1 13 21 1 14 17 1 14 22 1 15 17 1 15 24 1 24 16 -2 18 19 1 19 23 1 21 20 -1 21 23 1 22 24 1', '24 26 C 17.66 -8.43 C 10.60 -13.42 C 12.68 -14.67 C 17.57 -13.48 C 13.79 -13.48 O 14.98 -7.62 O 20.57 -10.64 O 13.21 -8.64 C 15.29 -8.97 C 15.68 -10.13 C 16.38 -13.21 C 14.98 -13.21 C 12.17 -10.96 C 18.65 -12.25 O 18.15 -10.02 C 16.63 -9.39 C 19.20 -10.96 C 13.21 -10.02 C 14.41 -10.75 C 12.00 -13.44 C 12.72 -12.25 C 17.25 -12.13 C 14.10 -12.13 C 16.94 -10.75 1 16 2 2 20 1 3 20 1 22 4 -2 23 5 -1 6 9 2 7 17 2 8 18 2 9 16 1 10 19 2 10 24 1 11 12 1 11 22 1 12 23 1 13 18 1 13 21 1 14 17 1 14 22 1 15 17 1 15 24 1 24 16 -2 18 19 1 19 23 1 21 20 -1 21 23 1 22 24 1', '24 26 C:138 17.66 -8.43 C:24 10.60 -13.42 C:22 12.68 -14.67 C:26 17.57 -13.48 C:22 13.79 -13.48 O 14.98 -7.62 O 20.57 -10.64 O 13.21 -8.64 C:192 15.29 -8.97 C:127 15.68 -10.13 C:37 16.38 -13.21 C:31 14.98 -13.21 C:39 12.17 -10.96 C:41 18.65 -12.25 O 18.15 -10.02 C:149 16.63 -9.39 C:176 19.20 -10.96 C:206 13.21 -10.02 C:151 14.41 -10.75 C:28 12.00 -13.44 C:49 12.72 -12.25 C:46 17.25 -12.13 C:46 14.10 -12.13 C:89 16.94 -10.75 1 16 2 2 20 1 3 20 1 22 4 -2 23 5 -1 6 9 2 7 17 2 8 18 2 9 16 1 10 19 2 10 24 1 11 12 1 11 22 1 12 23 1 13 18 1 13 21 1 14 17 1 14 22 1 15 17 1 15 24 1 24 16 -2 18 19 1 19 23 1 21 20 -1 21 23 1 22 24 1', 'C20H26O4', 330.212, 'C', 'ph43_405_1', 1495, '', '', '1', 5, NULL, NULL),
(8317, 'Lepistol', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH2:20]=[C:3]([CH2:4]O)[C@@:2]23[CH:1]=[C:11]1[C:12](=O)[CH2:13][C@H:14]([CH:15]([CH3:16])[CH3:17])[C@@:10]1([CH3:18])[CH2:9][CH2:8][C@:7]2([CH3:19])[CH2:6][C:5](=O)O3', 'C=C(CO)[C@@]23C=C1C(=O)C[C@H](C(C)C)[C@@]1(C)CC[C@]2(C)CC(=O)O3', '[CH2:117]=[C:148]([CH2:63]O)[C@@:91]23[CH:129]=[C:152]1[C:206](=O)[CH2:40][C@H:49]([CH:28]([CH3:24])[CH3:22])[C@@:46]1([CH3:22])[CH2:31][CH2:37][C@:46]2([CH3:25])[CH2:41][C:177](=O)O3', '24 26 C:20 17.66 -8.43 C:16 10.61 -13.44 C:17 12.70 -14.69 C:19 17.57 -13.50 C:18 13.81 -13.50 O 20.58 -10.65 O 13.23 -8.64 O 15.00 -7.62 C:1 15.70 -10.15 C:4 15.31 -8.97 C:8 16.40 -13.23 C:9 15.00 -13.23 C:13 12.19 -10.97 C:6 18.65 -12.27 O 18.15 -10.04 C:3 16.65 -9.39 C:5 19.20 -10.97 C:12 13.23 -10.04 C:11 14.43 -10.76 C:15 12.02 -13.46 C:14 12.74 -12.27 C:7 17.26 -12.15 C:10 14.12 -12.15 C:2 16.96 -10.76 1 16 2 2 20 1 3 20 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 10 1 9 19 2 9 24 1 10 16 1 11 12 1 11 22 1 12 23 1 13 18 1 13 21 1 14 17 1 14 22 1 15 17 1 15 24 1 24 16 -2 18 19 1 19 23 1 21 20 -1 21 23 1 22 24 1', '24 26 C 17.66 -8.43 C 10.61 -13.44 C 12.70 -14.69 C 17.57 -13.50 C 13.81 -13.50 O 20.58 -10.65 O 13.23 -8.64 O 15.00 -7.62 C 15.70 -10.15 C 15.31 -8.97 C 16.40 -13.23 C 15.00 -13.23 C 12.19 -10.97 C 18.65 -12.27 O 18.15 -10.04 C 16.65 -9.39 C 19.20 -10.97 C 13.23 -10.04 C 14.43 -10.76 C 12.02 -13.46 C 12.74 -12.27 C 17.26 -12.15 C 14.12 -12.15 C 16.96 -10.76 1 16 2 2 20 1 3 20 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 10 1 9 19 2 9 24 1 10 16 1 11 12 1 11 22 1 12 23 1 13 18 1 13 21 1 14 17 1 14 22 1 15 17 1 15 24 1 24 16 -2 18 19 1 19 23 1 21 20 -1 21 23 1 22 24 1', '24 26 C:117 17.66 -8.43 C:24 10.61 -13.44 C:22 12.70 -14.69 C:25 17.57 -13.50 C:22 13.81 -13.50 O 20.58 -10.65 O 13.23 -8.64 O 15.00 -7.62 C:129 15.70 -10.15 C:63 15.31 -8.97 C:37 16.40 -13.23 C:31 15.00 -13.23 C:40 12.19 -10.97 C:41 18.65 -12.27 O 18.15 -10.04 C:148 16.65 -9.39 C:177 19.20 -10.97 C:206 13.23 -10.04 C:152 14.43 -10.76 C:28 12.02 -13.46 C:49 12.74 -12.27 C:46 17.26 -12.15 C:46 14.12 -12.15 C:91 16.96 -10.76 1 16 2 2 20 1 3 20 1 22 4 -2 23 5 -1 6 17 2 7 18 2 8 10 1 9 19 2 9 24 1 10 16 1 11 12 1 11 22 1 12 23 1 13 18 1 13 21 1 14 17 1 14 22 1 15 17 1 15 24 1 24 16 -2 18 19 1 19 23 1 21 20 -1 21 23 1 22 24 1', 'C20H28O4', 332.212, 'C', 'ph43_405_2', 1495, '', '', '1', 5, NULL, NULL),
(8318, 'Evectic acid, 21-furan-heneicosa-5,7-diynoic  acid ', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', 'O=[C:1](O)[CH2:2][CH2:3][CH2:4][C:5]#[C:6][C:7]#[C:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][c:22]1[cH:23][cH:24][cH:25]o1', 'O=C(O)CCCC#CC#CCCCCCCCCCCCCCc1ccco1', 'O=[C:178](O)[CH2:32][CH2:23][CH2:19][C:76]#[C:66][C:65]#[C:78][CH2:19][CH2:28][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:30][CH2:30][CH2:29][CH2:29][CH2:28][CH2:28][c:157]1[cH:104][cH:110][cH:141]o1', '28 28 O 28.80 -10.78 O 30.02 -12.88 C:7 21.53 -10.78 C:6 22.74 -11.48 C:8 20.32 -10.08 C:5 23.95 -12.18 C:24 1.83 -11.76 C:25 1.13 -10.55 C:23 3.20 -11.47 C:9 19.10 -9.38 C:4 25.17 -12.88 C:10 17.89 -10.08 C:11 16.68 -9.38 C:12 15.47 -10.08 C:13 14.25 -9.38 C:14 13.04 -10.08 C:15 11.83 -9.38 C:16 10.62 -10.08 C:17 9.40 -9.38 C:18 8.19 -10.08 C:19 6.98 -9.38 C:3 26.38 -12.18 C:20 5.77 -10.08 C:2 27.59 -12.88 C:21 4.55 -9.38 O 2.06 -9.51 C:1 28.80 -12.18 C:22 3.34 -10.08 1 27 2 2 27 1 3 4 1 3 5 3 4 6 3 5 10 1 6 11 1 7 8 2 7 9 1 8 26 1 9 28 2 10 12 1 11 22 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 23 1 22 24 1 23 25 1 24 27 1 25 28 1 26 28 1', '28 28 O 28.80 -10.78 O 30.02 -12.88 C 21.53 -10.78 C 22.74 -11.48 C 20.32 -10.08 C 23.95 -12.18 C 1.83 -11.76 C 1.13 -10.55 C 3.20 -11.47 C 19.10 -9.38 C 25.17 -12.88 C 17.89 -10.08 C 16.68 -9.38 C 15.47 -10.08 C 14.25 -9.38 C 13.04 -10.08 C 11.83 -9.38 C 10.62 -10.08 C 9.40 -9.38 C 8.19 -10.08 C 6.98 -9.38 C 26.38 -12.18 C 5.77 -10.08 C 27.59 -12.88 C 4.55 -9.38 O 2.06 -9.51 C 28.80 -12.18 C 3.34 -10.08 1 27 2 2 27 1 3 4 1 3 5 3 4 6 3 5 10 1 6 11 1 7 8 2 7 9 1 8 26 1 9 28 2 10 12 1 11 22 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 23 1 22 24 1 23 25 1 24 27 1 25 28 1 26 28 1', '28 28 O 28.80 -10.78 O 30.02 -12.88 C:65 21.53 -10.78 C:66 22.74 -11.48 C:78 20.32 -10.08 C:76 23.95 -12.18 C:110 1.83 -11.76 C:141 1.13 -10.55 C:104 3.20 -11.47 C:19 19.10 -9.38 C:19 25.17 -12.88 C:28 17.89 -10.08 C:29 16.68 -9.38 C:29 15.47 -10.08 C:29 14.25 -9.38 C:29 13.04 -10.08 C:29 11.83 -9.38 C:30 10.62 -10.08 C:30 9.40 -9.38 C:29 8.19 -10.08 C:29 6.98 -9.38 C:23 26.38 -12.18 C:28 5.77 -10.08 C:32 27.59 -12.88 C:28 4.55 -9.38 O 2.06 -9.51 C:178 28.80 -12.18 C:157 3.34 -10.08 1 27 2 2 27 1 3 4 1 3 5 3 4 6 3 5 10 1 6 11 1 7 8 2 7 9 1 8 26 1 9 28 2 10 12 1 11 22 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 23 1 22 24 1 23 25 1 24 27 1 25 28 1 26 28 1', 'C25H36O3', 384.266, 'C', 'ph47_131_1', 1083, '', '', '1', 5, NULL, NULL),
(8319, 'Methyl  21-furan-heneicosa-5,7-diynoate ', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[CH3:1001]O[C:1](=O)[CH2:2][CH2:3][CH2:4][C:5]#[C:6][C:7]#[C:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][c:22]1[cH:23][cH:24][cH:25]o1', 'COC(=O)CCCC#CC#CCCCCCCCCCCCCCc1ccco1', '[CH3:9999]O[C:52](=O)[CH2:173][CH2:33][CH2:24][C:19]#[C:76][C:66]#[C:65][CH2:78][CH2:19][CH2:28][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:29][CH2:30][CH2:29][CH2:28][CH2:28][c:157]1[cH:104][cH:110][cH:141]o1', '29 29 C:1001 30.62 -12.18 O 28.18 -10.78 C:7 20.91 -10.78 C:6 22.12 -11.48 C:8 19.70 -10.08 C:5 23.33 -12.18 C:24 1.21 -11.76 C:25 0.51 -10.55 C:23 2.58 -11.47 C:9 18.48 -9.38 C:4 24.55 -12.88 C:10 17.27 -10.08 C:11 16.06 -9.38 C:12 14.85 -10.08 C:13 13.63 -9.38 C:14 12.42 -10.08 C:15 11.21 -9.38 C:16 10.00 -10.08 C:17 8.78 -9.38 C:18 7.57 -10.08 C:19 6.36 -9.38 C:3 25.76 -12.18 C:20 5.15 -10.08 C:2 26.97 -12.88 C:21 3.93 -9.38 O 29.40 -12.88 O 1.44 -9.51 C:1 28.18 -12.18 C:22 2.72 -10.08 1 26 1 2 28 2 3 4 1 3 5 3 4 6 3 5 10 1 6 11 1 7 8 2 7 9 1 8 27 1 9 29 2 10 12 1 11 22 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 23 1 22 24 1 23 25 1 24 28 1 25 29 1 26 28 1 27 29 1', '29 29 C 30.62 -12.18 O 28.18 -10.78 C 20.91 -10.78 C 22.12 -11.48 C 19.70 -10.08 C 23.33 -12.18 C 1.21 -11.76 C 0.51 -10.55 C 2.58 -11.47 C 18.48 -9.38 C 24.55 -12.88 C 17.27 -10.08 C 16.06 -9.38 C 14.85 -10.08 C 13.63 -9.38 C 12.42 -10.08 C 11.21 -9.38 C 10.00 -10.08 C 8.78 -9.38 C 7.57 -10.08 C 6.36 -9.38 C 25.76 -12.18 C 5.15 -10.08 C 26.97 -12.88 C 3.93 -9.38 O 29.40 -12.88 O 1.44 -9.51 C 28.18 -12.18 C 2.72 -10.08 1 26 1 2 28 2 3 4 1 3 5 3 4 6 3 5 10 1 6 11 1 7 8 2 7 9 1 8 27 1 9 29 2 10 12 1 11 22 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 23 1 22 24 1 23 25 1 24 28 1 25 29 1 26 28 1 27 29 1', '29 29 C 30.62 -12.18 O 28.18 -10.78 C:66 20.91 -10.78 C:76 22.12 -11.48 C:65 19.70 -10.08 C:19 23.33 -12.18 C:110 1.21 -11.76 C:141 0.51 -10.55 C:104 2.58 -11.47 C:78 18.48 -9.38 C:24 24.55 -12.88 C:19 17.27 -10.08 C:28 16.06 -9.38 C:29 14.85 -10.08 C:29 13.63 -9.38 C:29 12.42 -10.08 C:29 11.21 -9.38 C:29 10.00 -10.08 C:29 8.78 -9.38 C:30 7.57 -10.08 C:29 6.36 -9.38 C:33 25.76 -12.18 C:28 5.15 -10.08 C:173 26.97 -12.88 C:28 3.93 -9.38 O 29.40 -12.88 O 1.44 -9.51 C:52 28.18 -12.18 C:157 2.72 -10.08 1 26 1 2 28 2 3 4 1 3 5 3 4 6 3 5 10 1 6 11 1 7 8 2 7 9 1 8 27 1 9 29 2 10 12 1 11 22 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 23 1 22 24 1 23 25 1 24 28 1 25 29 1 26 28 1 27 29 1', 'C26H38O3', 398.276, 'C', 'ph47_131_2', 1083, '', '', '1', 5, 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
(8320, 'Segetalol-1,5,14-triacetate-3-benzoate', '', 'Terpenoids', 'Diterpenoids', 'Paralianes', '[H][C@@:8]45[CH2:7][C@@:6]3([CH3:17])[C@H:5](O[C:5001]([CH3:5002])=O)[C@@:4]2([H])[C@@H:3](O[C:3001](=O)[c:3002]1[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]1)[C@@H:2]([CH3:16])[C@@H:1](O[C:1001]([CH3:1002])=O)[C@:15]2(O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:13]3([CH3:20])[C@:12]4([H])[CH2:11][C@@:10]([CH3:18])([CH3:19])[C:9]5=O', '[H][C@@]45C[C@@]3(C)[C@H](OC(C)=O)[C@@]2([H])[C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@@H](OC(C)=O)[C@]2(O)[C@H](OC(C)=O)[C@@]3(C)[C@]4([H])C[C@@](C)(C)C5=O', '[H][C@@:46]45[CH2:35][C@@:53]3([CH3:16])[C@H:69](O[C:171]([CH3:21])=O)[C@@:43]2([H])[C@@H:73](O[C:166](=O)[c:130]1[cH:129][cH:130][cH:133][cH:130][cH:129]1)[C@@H:38]([CH3:10])[C@@H:75](O[C:170]([CH3:21])=O)[C@:83]2(O)[C@H:72](O[C:170]([CH3:21])=O)[C@@:52]3([CH3:15])[C@:41]4([H])[CH2:36][C@@:47]([CH3:23])([CH3:29])[C:225]5=O', '46 50 H 19.77 -10.86 H 18.06 -8.27 H 14.62 -11.80 C:1002 10.95 -5.97 C:5002 17.10 -15.19 C:14002 17.10 -5.15 C:16 10.96 -10.16 C:19 20.66 -6.86 C:18 22.02 -8.73 C:17 17.11 -12.32 C:20 17.11 -8.02 O 10.44 -8.41 O 18.34 -13.04 O 18.35 -7.30 O 10.45 -11.91 O 21.82 -10.56 O 14.62 -8.02 C:3005 10.07 -17.09 C:3004 9.11 -16.02 C:3006 11.47 -16.79 C:3003 9.55 -14.66 C:3007 11.91 -15.42 C:11 19.31 -7.84 C:7 18.47 -11.33 O 12.79 -7.64 O 15.86 -13.04 O 15.86 -7.30 O 12.79 -12.69 C:1001 11.39 -7.34 C:5001 17.10 -13.76 C:14001 17.10 -6.58 C:3001 11.40 -12.99 C:9 20.66 -9.72 C:3002 10.95 -14.36 C:2 12.39 -10.16 C:3 13.23 -11.33 C:1 13.23 -9.00 C:5 15.86 -11.60 C:14 15.86 -8.73 C:10 20.66 -8.29 C:8 19.31 -10.16 C:12 18.47 -9.00 C:6 17.11 -10.88 C:4 14.62 -10.88 C:13 17.11 -9.44 C:15 14.62 -9.44 41 1 -1 42 2 -1 44 3 -2 4 29 1 5 30 1 6 31 1 35 7 -1 40 8 -1 40 9 -2 43 10 -2 45 11 -2 12 29 2 13 30 2 14 31 2 15 32 2 16 33 2 46 17 -1 18 19 1 18 20 2 19 21 2 20 22 1 21 34 1 22 34 2 23 40 1 23 42 1 24 41 1 24 43 1 25 29 1 37 25 -1 26 30 1 38 26 -2 27 31 1 39 27 -2 28 32 1 36 28 -1 32 34 1 33 40 1 33 41 1 35 36 1 35 37 1 36 44 1 37 46 1 38 43 1 38 44 1 39 45 1 39 46 1 41 42 1 42 45 1 43 45 1 44 46 1', '46 50 H 19.77 -10.86 H 18.06 -8.27 H 14.62 -11.80 C 10.95 -5.97 C 17.10 -15.19 C 17.10 -5.15 C 10.96 -10.16 C 20.66 -6.86 C 22.02 -8.73 C 17.11 -12.32 C 17.11 -8.02 O 10.44 -8.41 O 18.34 -13.04 O 18.35 -7.30 O 10.45 -11.91 O 21.82 -10.56 O 14.62 -8.02 C 10.07 -17.09 C 9.11 -16.02 C 11.47 -16.79 C 9.55 -14.66 C 11.91 -15.42 C 19.31 -7.84 C 18.47 -11.33 O 12.79 -7.64 O 15.86 -13.04 O 15.86 -7.30 O 12.79 -12.69 C 11.39 -7.34 C 17.10 -13.76 C 17.10 -6.58 C 11.40 -12.99 C 20.66 -9.72 C 10.95 -14.36 C 12.39 -10.16 C 13.23 -11.33 C 13.23 -9.00 C 15.86 -11.60 C 15.86 -8.73 C 20.66 -8.29 C 19.31 -10.16 C 18.47 -9.00 C 17.11 -10.88 C 14.62 -10.88 C 17.11 -9.44 C 14.62 -9.44 41 1 -1 42 2 -1 44 3 -2 4 29 1 5 30 1 6 31 1 35 7 -1 40 8 -1 40 9 -2 43 10 -2 45 11 -2 12 29 2 13 30 2 14 31 2 15 32 2 16 33 2 46 17 -1 18 19 1 18 20 2 19 21 2 20 22 1 21 34 1 22 34 2 23 40 1 23 42 1 24 41 1 24 43 1 25 29 1 37 25 -1 26 30 1 38 26 -2 27 31 1 39 27 -2 28 32 1 36 28 -1 32 34 1 33 40 1 33 41 1 35 36 1 35 37 1 36 44 1 37 46 1 38 43 1 38 44 1 39 45 1 39 46 1 41 42 1 42 45 1 43 45 1 44 46 1', '46 50 H 19.77 -10.86 H 18.06 -8.27 H 14.62 -11.80 C:21 10.95 -5.97 C:21 17.10 -15.19 C:21 17.10 -5.15 C:10 10.96 -10.16 C:29 20.66 -6.86 C:23 22.02 -8.73 C:16 17.11 -12.32 C:15 17.11 -8.02 O 10.44 -8.41 O 18.34 -13.04 O 18.35 -7.30 O 10.45 -11.91 O 21.82 -10.56 O 14.62 -8.02 C:133 10.07 -17.09 C:130 9.11 -16.02 C:130 11.47 -16.79 C:129 9.55 -14.66 C:129 11.91 -15.42 C:36 19.31 -7.84 C:35 18.47 -11.33 O 12.79 -7.64 O 15.86 -13.04 O 15.86 -7.30 O 12.79 -12.69 C:170 11.39 -7.34 C:171 17.10 -13.76 C:170 17.10 -6.58 C:166 11.40 -12.99 C:225 20.66 -9.72 C:130 10.95 -14.36 C:38 12.39 -10.16 C:73 13.23 -11.33 C:75 13.23 -9.00 C:69 15.86 -11.60 C:72 15.86 -8.73 C:47 20.66 -8.29 C:46 19.31 -10.16 C:41 18.47 -9.00 C:53 17.11 -10.88 C:43 14.62 -10.88 C:52 17.11 -9.44 C:83 14.62 -9.44 41 1 -1 42 2 -1 44 3 -2 4 29 1 5 30 1 6 31 1 35 7 -1 40 8 -1 40 9 -2 43 10 -2 45 11 -2 12 29 2 13 30 2 14 31 2 15 32 2 16 33 2 46 17 -1 18 19 1 18 20 2 19 21 2 20 22 1 21 34 1 22 34 2 23 40 1 23 42 1 24 41 1 24 43 1 25 29 1 37 25 -1 26 30 1 38 26 -2 27 31 1 39 27 -2 28 32 1 36 28 -1 32 34 1 33 40 1 33 41 1 35 36 1 35 37 1 36 44 1 37 46 1 38 43 1 38 44 1 39 45 1 39 46 1 41 42 1 42 45 1 43 45 1 44 46 1', 'C33H42O10', 598.371, 'C', 'ph49_179_1', 627, '', '', '1', 5, NULL, NULL),
(8321, 'Segetalol-5-acetate-ebenzoate', '', 'Terpenoids', 'Diterpenoids', 'Paralianes', '[H][C@@:8]45[CH2:7][C@@:6]3([CH3:17])[C@H:5](O[C:5001]([CH3:5002])=O)[C@@:4]2([H])[C@@H:3](O[C:3001](=O)[c:3002]1[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]1)[C@@H:2]([CH3:16])[C@@H:1](O)[C@:15]2(O)[C@H:14](O)[C@@:13]3([CH3:20])[C@:12]4([H])[CH2:11][C@:10]([CH3:19])([CH3:18])[C:9]5=O', '[H][C@@]45C[C@@]3(C)[C@H](OC(C)=O)[C@@]2([H])[C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@@H](O)[C@]2(O)[C@H](O)[C@@]3(C)[C@]4([H])C[C@](C)(C)C5=O', '[H][C@@:47]45[CH2:36][C@@:53]3([CH3:17])[C@H:69](O[C:171]([CH3:21])=O)[C@@:42]2([H])[C@@H:76](O[C:166](=O)[c:129]1[cH:129][cH:130][cH:133][cH:130][cH:129]1)[C@@H:39]([CH3:10])[C@@H:73](O)[C@:85]2(O)[C@H:71](O)[C@@:51]3([CH3:16])[C@:41]4([H])[CH2:36][C@:47]([CH3:29])([CH3:23])[C:225]5=O', '40 44 H 20.03 -10.42 H 18.03 -7.59 H 14.63 -11.19 C:5002 17.09 -14.35 C:16 11.02 -9.38 C:18 21.98 -7.95 C:19 20.62 -6.10 C:17 17.10 -11.51 C:20 17.10 -7.05 O 18.32 -12.23 O 10.51 -11.11 O 21.78 -9.77 O 12.83 -6.87 O 15.87 -6.55 O 14.63 -7.26 C:3005 10.13 -16.22 C:3006 11.53 -15.94 C:3004 9.18 -15.18 C:3007 11.96 -14.57 C:3003 9.62 -13.83 C:11 19.29 -7.07 C:7 18.45 -10.52 O 15.87 -12.23 O 12.83 -11.89 C:5001 17.09 -12.95 C:3001 11.46 -12.18 C:9 20.62 -8.94 C:3002 11.01 -13.53 C:2 12.44 -9.38 C:1 13.27 -8.23 C:14 15.87 -7.95 C:3 13.27 -10.52 C:5 15.87 -10.80 C:10 20.62 -7.53 C:8 19.29 -9.38 C:12 18.45 -8.23 C:6 17.10 -10.08 C:4 14.63 -10.08 C:13 17.10 -8.67 C:15 14.63 -8.67 35 1 -1 36 2 -1 38 3 -2 4 25 1 29 5 -1 34 6 -2 34 7 -1 37 8 -2 39 9 -2 10 25 2 11 26 2 12 27 2 30 13 -1 31 14 -2 40 15 -1 16 17 2 16 18 1 17 19 1 18 20 2 19 28 2 20 28 1 21 34 1 21 36 1 22 35 1 22 37 1 23 25 1 33 23 -2 24 26 1 32 24 -1 26 28 1 27 34 1 27 35 1 29 30 1 29 32 1 30 40 1 31 39 1 31 40 1 32 38 1 33 37 1 33 38 1 35 36 1 36 39 1 37 39 1 38 40 1', '40 44 H 20.03 -10.42 H 18.03 -7.59 H 14.63 -11.19 C 17.09 -14.35 C 11.02 -9.38 C 21.98 -7.95 C 20.62 -6.10 C 17.10 -11.51 C 17.10 -7.05 O 18.32 -12.23 O 10.51 -11.11 O 21.78 -9.77 O 12.83 -6.87 O 15.87 -6.55 O 14.63 -7.26 C 10.13 -16.22 C 11.53 -15.94 C 9.18 -15.18 C 11.96 -14.57 C 9.62 -13.83 C 19.29 -7.07 C 18.45 -10.52 O 15.87 -12.23 O 12.83 -11.89 C 17.09 -12.95 C 11.46 -12.18 C 20.62 -8.94 C 11.01 -13.53 C 12.44 -9.38 C 13.27 -8.23 C 15.87 -7.95 C 13.27 -10.52 C 15.87 -10.80 C 20.62 -7.53 C 19.29 -9.38 C 18.45 -8.23 C 17.10 -10.08 C 14.63 -10.08 C 17.10 -8.67 C 14.63 -8.67 35 1 -1 36 2 -1 38 3 -2 4 25 1 29 5 -1 34 6 -2 34 7 -1 37 8 -2 39 9 -2 10 25 2 11 26 2 12 27 2 30 13 -1 31 14 -2 40 15 -1 16 17 2 16 18 1 17 19 1 18 20 2 19 28 2 20 28 1 21 34 1 21 36 1 22 35 1 22 37 1 23 25 1 33 23 -2 24 26 1 32 24 -1 26 28 1 27 34 1 27 35 1 29 30 1 29 32 1 30 40 1 31 39 1 31 40 1 32 38 1 33 37 1 33 38 1 35 36 1 36 39 1 37 39 1 38 40 1', '40 44 H 20.03 -10.42 H 18.03 -7.59 H 14.63 -11.19 C:21 17.09 -14.35 C:10 11.02 -9.38 C:23 21.98 -7.95 C:29 20.62 -6.10 C:17 17.10 -11.51 C:16 17.10 -7.05 O 18.32 -12.23 O 10.51 -11.11 O 21.78 -9.77 O 12.83 -6.87 O 15.87 -6.55 O 14.63 -7.26 C:133 10.13 -16.22 C:130 11.53 -15.94 C:130 9.18 -15.18 C:129 11.96 -14.57 C:129 9.62 -13.83 C:36 19.29 -7.07 C:36 18.45 -10.52 O 15.87 -12.23 O 12.83 -11.89 C:171 17.09 -12.95 C:166 11.46 -12.18 C:225 20.62 -8.94 C:129 11.01 -13.53 C:39 12.44 -9.38 C:73 13.27 -8.23 C:71 15.87 -7.95 C:76 13.27 -10.52 C:69 15.87 -10.80 C:47 20.62 -7.53 C:47 19.29 -9.38 C:41 18.45 -8.23 C:53 17.10 -10.08 C:42 14.63 -10.08 C:51 17.10 -8.67 C:85 14.63 -8.67 35 1 -1 36 2 -1 38 3 -2 4 25 1 29 5 -1 34 6 -2 34 7 -1 37 8 -2 39 9 -2 10 25 2 11 26 2 12 27 2 30 13 -1 31 14 -2 40 15 -1 16 17 2 16 18 1 17 19 1 18 20 2 19 28 2 20 28 1 21 34 1 21 36 1 22 35 1 22 37 1 23 25 1 33 23 -2 24 26 1 32 24 -1 26 28 1 27 34 1 27 35 1 29 30 1 29 32 1 30 40 1 31 39 1 31 40 1 32 38 1 33 37 1 33 38 1 35 36 1 36 39 1 37 39 1 38 40 1', 'C29H38O8', 514.329, 'C', 'ph49_179_1a', 627, '', '', '1', 5, NULL, NULL),
(8322, 'Segetalol', '', 'Terpenoids', 'Diterpenoids', 'Paralianes', '[H][C@@:8]34[CH2:7][C@@:6]2([CH3:17])[C@H:5](O)[C@@:4]1([H])[C@@H:3](O)[C@@H:2]([CH3:16])[C@@H:1](O)[C@:15]1(O)[C@H:14](O)[C@@:13]2([CH3:20])[C@:12]3([H])[CH2:11][C@@:10]([CH3:18])([CH3:19])[C:9]4=O', '[H][C@@]34C[C@@]2(C)[C@H](O)[C@@]1([H])[C@@H](O)[C@@H](C)[C@@H](O)[C@]1(O)[C@H](O)[C@@]2(C)[C@]3([H])C[C@@](C)(C)C4=O', '[H][C@@:47]34[CH2:36][C@@:53]2([CH3:16])[C@H:68](O)[C@@:44]1([H])[C@@H:74](O)[C@@H:40]([CH3:9])[C@@H:73](O)[C@:85]1(O)[C@H:71](O)[C@@:52]2([CH3:16])[C@:41]3([H])[CH2:36][C@@:47]([CH3:23])([CH3:30])[C:227]4=O', '29 32 H 19.10 -11.35 H 17.08 -8.51 H 13.67 -12.12 C:16 10.05 -10.31 C:19 19.69 -7.02 C:18 21.06 -8.87 C:17 16.15 -12.45 C:20 16.15 -7.97 O 20.86 -10.70 O 11.87 -12.83 O 11.87 -7.79 O 14.92 -13.17 O 14.92 -7.47 O 13.67 -8.18 C:11 18.35 -7.99 C:7 17.51 -11.45 C:9 19.69 -9.87 C:2 11.47 -10.31 C:3 12.31 -11.45 C:1 12.31 -9.15 C:5 14.92 -11.73 C:14 14.92 -8.87 C:10 19.69 -8.45 C:8 18.35 -10.31 C:12 17.51 -9.15 C:6 16.15 -11.01 C:4 13.67 -11.01 C:13 16.15 -9.60 C:15 13.67 -9.60 24 1 -1 25 2 -1 27 3 -2 18 4 -1 23 5 -1 23 6 -2 26 7 -2 28 8 -2 9 17 2 19 10 -1 20 11 -1 21 12 -2 22 13 -2 29 14 -1 15 23 1 15 25 1 16 24 1 16 26 1 17 23 1 17 24 1 18 19 1 18 20 1 19 27 1 20 29 1 21 26 1 21 27 1 22 28 1 22 29 1 24 25 1 25 28 1 26 28 1 27 29 1', '29 32 H 19.10 -11.35 H 17.08 -8.51 H 13.67 -12.12 C 10.05 -10.31 C 19.69 -7.02 C 21.06 -8.87 C 16.15 -12.45 C 16.15 -7.97 O 20.86 -10.70 O 11.87 -12.83 O 11.87 -7.79 O 14.92 -13.17 O 14.92 -7.47 O 13.67 -8.18 C 18.35 -7.99 C 17.51 -11.45 C 19.69 -9.87 C 11.47 -10.31 C 12.31 -11.45 C 12.31 -9.15 C 14.92 -11.73 C 14.92 -8.87 C 19.69 -8.45 C 18.35 -10.31 C 17.51 -9.15 C 16.15 -11.01 C 13.67 -11.01 C 16.15 -9.60 C 13.67 -9.60 24 1 -1 25 2 -1 27 3 -2 18 4 -1 23 5 -1 23 6 -2 26 7 -2 28 8 -2 9 17 2 19 10 -1 20 11 -1 21 12 -2 22 13 -2 29 14 -1 15 23 1 15 25 1 16 24 1 16 26 1 17 23 1 17 24 1 18 19 1 18 20 1 19 27 1 20 29 1 21 26 1 21 27 1 22 28 1 22 29 1 24 25 1 25 28 1 26 28 1 27 29 1', '29 32 H 19.10 -11.35 H 17.08 -8.51 H 13.67 -12.12 C:9 10.05 -10.31 C:30 19.69 -7.02 C:23 21.06 -8.87 C:16 16.15 -12.45 C:16 16.15 -7.97 O 20.86 -10.70 O 11.87 -12.83 O 11.87 -7.79 O 14.92 -13.17 O 14.92 -7.47 O 13.67 -8.18 C:36 18.35 -7.99 C:36 17.51 -11.45 C:227 19.69 -9.87 C:40 11.47 -10.31 C:74 12.31 -11.45 C:73 12.31 -9.15 C:68 14.92 -11.73 C:71 14.92 -8.87 C:47 19.69 -8.45 C:47 18.35 -10.31 C:41 17.51 -9.15 C:53 16.15 -11.01 C:44 13.67 -11.01 C:52 16.15 -9.60 C:85 13.67 -9.60 24 1 -1 25 2 -1 27 3 -2 18 4 -1 23 5 -1 23 6 -2 26 7 -2 28 8 -2 9 17 2 19 10 -1 20 11 -1 21 12 -2 22 13 -2 29 14 -1 15 23 1 15 25 1 16 24 1 16 26 1 17 23 1 17 24 1 18 19 1 18 20 1 19 27 1 20 29 1 21 26 1 21 27 1 22 28 1 22 29 1 24 25 1 25 28 1 26 28 1 27 29 1', 'C20H32O6', 368.234, 'C+M', 'ph49_179_1b', 627, '', '', '1', 5, NULL, NULL),
(8323, '16bH,17-hydroxy-3-oxo-19-nor-ent-kaur-4-ene', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]4[CH2:14][C@@:8]1([CH2:7][CH2:6][C:5]2=[C:4]([CH3:18])[C:3](=O)[CH2:2][CH2:1][C@:10]23[CH3:20])[CH2:15][C@H:16]4[CH2:17]O', '[H][C@@]13CC[C@H]4C[C@@]1(CCC2=C(C)C(=O)CC[C@]23C)C[C@H]4CO', '[H][C@@:54]13[CH2:19][CH2:31][C@H:38]4[CH2:36][C@@:45]1([CH2:39][CH2:27][C:164]2=[C:128]([CH3:11])[C:199](=O)[CH2:33][CH2:37][C@:41]23[CH3:20])[CH2:44][C@H:43]4[CH2:67]O', '22 25 H 15.05 -11.06 C:18 12.59 -14.28 C:20 13.83 -9.40 O 10.20 -12.86 O 20.94 -10.37 C:17 19.97 -9.35 C:2 11.42 -10.79 C:6 15.05 -12.89 C:12 16.26 -7.99 C:11 15.05 -8.69 C:1 12.61 -10.09 C:7 16.26 -12.17 C:15 17.81 -11.08 C:14 17.46 -10.09 C:4 12.59 -12.89 C:3 11.42 -12.17 C:5 13.83 -12.17 C:16 18.60 -9.68 C:13 17.46 -8.69 C:9 15.05 -10.09 C:10 13.83 -10.79 C:8 16.26 -10.79 20 1 -1 2 15 1 21 3 -2 4 16 2 5 6 1 18 6 -2 7 11 1 7 16 1 8 12 1 8 17 1 9 10 1 9 19 1 10 20 1 11 21 1 12 22 1 13 18 1 13 22 1 19 14 -2 22 14 -2 15 16 1 15 17 2 17 21 1 18 19 1 20 21 1 20 22 1', '22 25 H 15.05 -11.06 C 12.59 -14.28 C 13.83 -9.40 O 10.20 -12.86 O 20.94 -10.37 C 19.97 -9.35 C 11.42 -10.79 C 15.05 -12.89 C 16.26 -7.99 C 15.05 -8.69 C 12.61 -10.09 C 16.26 -12.17 C 17.81 -11.08 C 17.46 -10.09 C 12.59 -12.89 C 11.42 -12.17 C 13.83 -12.17 C 18.60 -9.68 C 17.46 -8.69 C 15.05 -10.09 C 13.83 -10.79 C 16.26 -10.79 20 1 -1 2 15 1 21 3 -2 4 16 2 5 6 1 18 6 -2 7 11 1 7 16 1 8 12 1 8 17 1 9 10 1 9 19 1 10 20 1 11 21 1 12 22 1 13 18 1 13 22 1 19 14 -2 22 14 -2 15 16 1 15 17 2 17 21 1 18 19 1 20 21 1 20 22 1', '22 25 H 15.05 -11.06 C:11 12.59 -14.28 C:20 13.83 -9.40 O 10.20 -12.86 O 20.94 -10.37 C:67 19.97 -9.35 C:33 11.42 -10.79 C:27 15.05 -12.89 C:31 16.26 -7.99 C:19 15.05 -8.69 C:37 12.61 -10.09 C:39 16.26 -12.17 C:44 17.81 -11.08 C:36 17.46 -10.09 C:128 12.59 -12.89 C:199 11.42 -12.17 C:164 13.83 -12.17 C:43 18.60 -9.68 C:38 17.46 -8.69 C:54 15.05 -10.09 C:41 13.83 -10.79 C:45 16.26 -10.79 20 1 -1 2 15 1 21 3 -2 4 16 2 5 6 1 18 6 -2 7 11 1 7 16 1 8 12 1 8 17 1 9 10 1 9 19 1 10 20 1 11 21 1 12 22 1 13 18 1 13 22 1 19 14 -2 22 14 -2 15 16 1 15 17 2 17 21 1 18 19 1 20 21 1 20 22 1', 'C19H28O2', 288.21, 'C', 'ph65_2539_1', 53, '', '', '1', 5, NULL, NULL),
(8324, '(+)-(3R)-3-hydroxy-4,4-dimethyl-4-butyrolactone', '', 'Miscellanea', 'Butanolides', '', '[CH3:5][C:4]1([CH3:6])O[C:1](=O)[CH2:2][C@H:3]1O', 'CC1(C)OC(=O)C[C@H]1O', '[CH3:21][C:88]1([CH3:26])O[C:174](=O)[CH2:38][C@H:74]1O', '9 9 C:6 14.82 -12.94 C:5 13.63 -12.20 O 18.03 -9.78 O 13.10 -9.78 C:2 15.57 -9.39 O 16.27 -11.55 C:1 16.70 -10.21 C:3 14.43 -10.21 C:4 14.87 -11.55 1 9 1 2 9 1 3 7 2 8 4 -2 5 7 1 5 8 1 6 7 1 6 9 1 8 9 1', '9 9 C 14.82 -12.94 C 13.63 -12.20 O 18.03 -9.78 O 13.10 -9.78 C 15.57 -9.39 O 16.27 -11.55 C 16.70 -10.21 C 14.43 -10.21 C 14.87 -11.55 1 9 1 2 9 1 3 7 2 8 4 -2 5 7 1 5 8 1 6 7 1 6 9 1 8 9 1', '9 9 C:26 14.82 -12.94 C:21 13.63 -12.20 O 18.03 -9.78 O 13.10 -9.78 C:38 15.57 -9.39 O 16.27 -11.55 C:174 16.70 -10.21 C:74 14.43 -10.21 C:88 14.87 -11.55 1 9 1 2 9 1 3 7 2 8 4 -2 5 7 1 5 8 1 6 7 1 6 9 1 8 9 1', 'C6H10O3', 130.062, 'C', 'ph65_2539_3', 53, '', '', '1', 5, NULL, NULL),
(8325, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]14[CH2:15][C:16](=[CH2:17])[C@:13](O)([CH2:12][CH2:11][C@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[CH2:14]4', '[H][C@]23CC[C@]14CC(=C)[C@](O)(CC[C@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)C4', '[H][C@:54]23[CH2:22][CH2:39][C@:42]14[CH2:47][C:156](=[CH2:103])[C@:80](O)([CH2:41][CH2:20][C@:57]1([H])[C@:39]2([CH3:15])[CH2:41][CH2:19][CH2:38][C@@:44]3([CH3:29])[C:178](=O)O)[CH2:47]4', '25 28 H 14.28 -13.11 H 15.50 -10.98 C:17 20.46 -9.29 C:18 14.00 -13.87 C:20 14.26 -9.30 O 12.36 -15.14 O 10.68 -13.37 O 17.92 -7.16 C:2 11.82 -10.70 C:3 11.82 -12.09 C:11 15.50 -8.57 C:6 15.50 -12.83 C:1 13.03 -9.99 C:12 16.71 -7.85 C:7 16.71 -12.09 C:15 18.28 -11.00 C:14 17.92 -9.99 C:16 19.08 -9.58 C:19 12.02 -13.78 C:5 14.28 -12.09 C:9 15.50 -9.99 C:4 13.03 -12.83 C:10 14.28 -10.70 C:13 17.92 -8.57 C:8 16.71 -10.70 20 1 -1 21 2 -2 3 18 2 22 4 -1 23 5 -2 6 19 2 7 19 1 8 24 1 9 10 1 9 13 1 10 22 1 11 14 1 11 21 1 12 15 1 12 20 1 13 23 1 14 24 1 15 25 1 16 18 1 16 25 1 24 17 -2 25 17 -2 18 24 1 22 19 -2 20 22 1 20 23 1 21 23 1 21 25 1', '25 28 H 14.28 -13.11 H 15.50 -10.98 C 20.46 -9.29 C 14.00 -13.87 C 14.26 -9.30 O 12.36 -15.14 O 10.68 -13.37 O 17.92 -7.16 C 11.82 -10.70 C 11.82 -12.09 C 15.50 -8.57 C 15.50 -12.83 C 13.03 -9.99 C 16.71 -7.85 C 16.71 -12.09 C 18.28 -11.00 C 17.92 -9.99 C 19.08 -9.58 C 12.02 -13.78 C 14.28 -12.09 C 15.50 -9.99 C 13.03 -12.83 C 14.28 -10.70 C 17.92 -8.57 C 16.71 -10.70 20 1 -1 21 2 -2 3 18 2 22 4 -1 23 5 -2 6 19 2 7 19 1 8 24 1 9 10 1 9 13 1 10 22 1 11 14 1 11 21 1 12 15 1 12 20 1 13 23 1 14 24 1 15 25 1 16 18 1 16 25 1 24 17 -2 25 17 -2 18 24 1 22 19 -2 20 22 1 20 23 1 21 23 1 21 25 1', '25 28 H 14.28 -13.11 H 15.50 -10.98 C:103 20.46 -9.29 C:29 14.00 -13.87 C:15 14.26 -9.30 O 12.36 -15.14 O 10.68 -13.37 O 17.92 -7.16 C:19 11.82 -10.70 C:38 11.82 -12.09 C:20 15.50 -8.57 C:22 15.50 -12.83 C:41 13.03 -9.99 C:41 16.71 -7.85 C:39 16.71 -12.09 C:47 18.28 -11.00 C:47 17.92 -9.99 C:156 19.08 -9.58 C:178 12.02 -13.78 C:54 14.28 -12.09 C:57 15.50 -9.99 C:44 13.03 -12.83 C:39 14.28 -10.70 C:80 17.92 -8.57 C:42 16.71 -10.70 20 1 -1 21 2 -2 3 18 2 22 4 -1 23 5 -2 6 19 2 7 19 1 8 24 1 9 10 1 9 13 1 10 22 1 11 14 1 11 21 1 12 15 1 12 20 1 13 23 1 14 24 1 15 25 1 16 18 1 16 25 1 24 17 -2 25 17 -2 18 24 1 22 19 -2 20 22 1 20 23 1 21 23 1 21 25 1', 'C20H30O3', 318.228, 'C', 'mrc05_1012_3', 534, '', '', '1', 1, NULL, NULL),
(8326, '', '3-Acetyl-8-methoxy-7-angeloylingol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]23[C@@H:12](O)[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]14[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O[C:7001](=O)[C:7002]([CH3:7201])=[CH:7003][CH3:7004])[C@@H:8](O[CH3:8001])[C@:9]2([H])[C@:10]3([CH3:18])[CH3:19])O4', '[H][C@@]23[C@@H](O)[C@@H](C)C(=O)[C@@]14C[C@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](OC(=O)C(C)=CC)[C@@H](OC)[C@]2([H])[C@]3(C)C)O4', '[H][C@@:34]23[C@@H:72](O)[C@@H:43]([CH3:15])[C:213](=O)[C@@:71]14[CH2:31][C@H:29]([CH3:18])[C@H:77](O[C:170]([CH3:16])=O)[C@:74]1([CH:117]=[C:140]([CH3:21])[C@@H:75](O[C:167](=O)[C:128]([CH3:20])=[CH:140][CH3:16])[C@@H:72](O[CH3:56])[C@:27]2([H])[C@:19]3([CH3:30])[CH3:17])O4', '38 41 H 17.19 -7.67 H 19.69 -8.90 C:7004 13.80 -14.90 C:8001 21.10 -10.70 C:3002 11.74 -15.91 C:7201 17.44 -15.61 C:17 15.31 -9.68 C:16 10.04 -12.19 C:20 15.12 -6.91 C:18 18.51 -6.38 C:19 20.02 -7.46 O 10.45 -14.01 O 15.01 -12.82 O 12.76 -7.55 O 16.18 -7.73 C:7003 15.01 -15.61 C:5 15.04 -11.60 C:1 11.55 -10.15 O 19.91 -11.40 O 12.81 -13.64 O 17.43 -12.82 O 14.39 -10.08 C:3001 11.74 -14.52 C:7002 16.22 -14.90 C:6 16.18 -10.68 C:7001 16.22 -13.51 C:14 13.62 -8.65 C:2 11.29 -11.60 C:13 15.04 -8.33 C:12 16.18 -9.23 C:7 17.43 -11.43 C:8 18.72 -10.68 C:3 12.59 -12.27 C:10 18.72 -7.80 C:11 17.43 -8.51 C:9 18.72 -9.23 C:15 13.00 -9.95 C:4 13.62 -11.27 35 1 -2 36 2 -2 3 16 1 4 19 1 5 23 1 6 24 1 7 25 1 28 8 -1 29 9 -2 34 10 -2 34 11 -1 12 23 2 13 26 2 14 27 2 30 15 -2 16 24 2 17 25 2 17 38 1 18 28 1 18 37 1 32 19 -2 20 23 1 33 20 -1 21 26 1 31 21 -2 37 22 -1 38 22 -1 24 26 1 25 31 1 27 29 1 27 37 1 28 33 1 29 30 1 30 35 1 31 32 1 32 36 1 33 38 1 34 35 1 34 36 1 35 36 1 37 38 1', '38 41 H 17.19 -7.67 H 19.69 -8.90 C 13.80 -14.90 C 21.10 -10.70 C 11.74 -15.91 C 17.44 -15.61 C 15.31 -9.68 C 10.04 -12.19 C 15.12 -6.91 C 18.51 -6.38 C 20.02 -7.46 O 10.45 -14.01 O 15.01 -12.82 O 12.76 -7.55 O 16.18 -7.73 C 15.01 -15.61 C 15.04 -11.60 C 11.55 -10.15 O 19.91 -11.40 O 12.81 -13.64 O 17.43 -12.82 O 14.39 -10.08 C 11.74 -14.52 C 16.22 -14.90 C 16.18 -10.68 C 16.22 -13.51 C 13.62 -8.65 C 11.29 -11.60 C 15.04 -8.33 C 16.18 -9.23 C 17.43 -11.43 C 18.72 -10.68 C 12.59 -12.27 C 18.72 -7.80 C 17.43 -8.51 C 18.72 -9.23 C 13.00 -9.95 C 13.62 -11.27 35 1 -2 36 2 -2 3 16 1 4 19 1 5 23 1 6 24 1 7 25 1 28 8 -1 29 9 -2 34 10 -2 34 11 -1 12 23 2 13 26 2 14 27 2 30 15 -2 16 24 2 17 25 2 17 38 1 18 28 1 18 37 1 32 19 -2 20 23 1 33 20 -1 21 26 1 31 21 -2 37 22 -1 38 22 -1 24 26 1 25 31 1 27 29 1 27 37 1 28 33 1 29 30 1 30 35 1 31 32 1 32 36 1 33 38 1 34 35 1 34 36 1 35 36 1 37 38 1', '38 41 H 17.19 -7.67 H 19.69 -8.90 C:16 13.80 -14.90 C:56 21.10 -10.70 C:16 11.74 -15.91 C:20 17.44 -15.61 C:21 15.31 -9.68 C:18 10.04 -12.19 C:15 15.12 -6.91 C:30 18.51 -6.38 C:17 20.02 -7.46 O 10.45 -14.01 O 15.01 -12.82 O 12.76 -7.55 O 16.18 -7.73 C:140 15.01 -15.61 C:117 15.04 -11.60 C:31 11.55 -10.15 O 19.91 -11.40 O 12.81 -13.64 O 17.43 -12.82 O 14.39 -10.08 C:170 11.74 -14.52 C:128 16.22 -14.90 C:140 16.18 -10.68 C:167 16.22 -13.51 C:213 13.62 -8.65 C:29 11.29 -11.60 C:43 15.04 -8.33 C:72 16.18 -9.23 C:75 17.43 -11.43 C:72 18.72 -10.68 C:77 12.59 -12.27 C:19 18.72 -7.80 C:34 17.43 -8.51 C:27 18.72 -9.23 C:71 13.00 -9.95 C:74 13.62 -11.27 35 1 -2 36 2 -2 3 16 1 4 19 1 5 23 1 6 24 1 7 25 1 28 8 -1 29 9 -2 34 10 -2 34 11 -1 12 23 2 13 26 2 14 27 2 30 15 -2 16 24 2 17 25 2 17 38 1 18 28 1 18 37 1 32 19 -2 20 23 1 33 20 -1 21 26 1 31 21 -2 37 22 -1 38 22 -1 24 26 1 25 31 1 27 29 1 27 37 1 28 33 1 29 30 1 30 35 1 31 32 1 32 36 1 33 38 1 34 35 1 34 36 1 35 36 1 37 38 1', 'C28H40O8', 504.311, 'C', 'cpb03_431_7', 1865, 'Acetate at 15,74ppm,  C non protonated of a 117(Posible value 140.42ppm)', '', '1', 36, NULL, NULL),
(8327, '', '3,12-Diacetyl-7-hydroxy-8-methoxyingol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@:9]34[C@H:8](O[CH3:8001])[C@H:7](O)[C:6]([CH3:17])=[CH:5][C@@:4]12O[C@@:15]1([CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001]([CH3:3002])=O)[C:14](=O)[C@H:13]([CH3:20])[C@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]3([H])[C@@:10]4([CH3:18])[CH3:19]', '[H][C@]34[C@H](OC)[C@H](O)C(C)=C[C@@]12O[C@@]1(C[C@H](C)[C@@H]2OC(C)=O)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@]3([H])[C@@]4(C)C', '[H][C@:26]34[C@H:71](O[CH3:56])[C@H:73](O)[C:141]([CH3:18])=[CH:117][C@@:74]12O[C@@:71]1([CH2:32][C@H:28]([CH3:17])[C@@H:78]2O[C:171]([CH3:21])=O)[C:208](=O)[C@H:43]([CH3:13])[C@H:81](O[C:170]([CH3:21])=O)[C@@:32]3([H])[C@@:19]4([CH3:29])[CH3:17]', '35 38 H 19.70 -9.43 H 17.18 -8.20 C:8001 21.11 -11.24 C:12002 15.59 -5.84 C:3002 11.72 -16.47 C:17 15.31 -10.22 C:16 10.02 -12.74 C:20 15.12 -7.44 C:18 18.51 -6.91 C:19 20.03 -7.99 O 17.69 -6.57 O 10.42 -14.56 O 12.75 -8.08 O 17.42 -13.36 C:5 15.04 -12.14 C:1 11.53 -10.68 O 19.92 -11.94 O 16.17 -8.26 O 12.80 -14.19 O 14.38 -10.61 C:12001 16.50 -6.91 C:3001 11.72 -15.08 C:6 16.17 -11.22 C:14 13.61 -9.18 C:2 11.27 -12.14 C:13 15.04 -8.86 C:7 17.42 -11.97 C:8 18.72 -11.22 C:12 16.17 -9.77 C:3 12.58 -12.82 C:10 18.72 -8.33 C:9 18.72 -9.77 C:11 17.42 -9.04 C:15 12.98 -10.48 C:4 13.61 -11.81 32 1 -2 33 2 -2 3 17 1 4 21 1 5 22 1 6 23 1 25 7 -1 26 8 -2 31 9 -2 31 10 -1 11 21 2 12 22 2 13 24 2 27 14 -2 15 23 2 15 35 1 16 25 1 16 34 1 28 17 -2 18 21 1 29 18 -2 19 22 1 30 19 -1 34 20 -1 35 20 -1 23 27 1 24 26 1 24 34 1 25 30 1 26 29 1 27 28 1 28 32 1 29 33 1 30 35 1 31 32 1 31 33 1 32 33 1 34 35 1', '35 38 H 19.70 -9.43 H 17.18 -8.20 C 21.11 -11.24 C 15.59 -5.84 C 11.72 -16.47 C 15.31 -10.22 C 10.02 -12.74 C 15.12 -7.44 C 18.51 -6.91 C 20.03 -7.99 O 17.69 -6.57 O 10.42 -14.56 O 12.75 -8.08 O 17.42 -13.36 C 15.04 -12.14 C 11.53 -10.68 O 19.92 -11.94 O 16.17 -8.26 O 12.80 -14.19 O 14.38 -10.61 C 16.50 -6.91 C 11.72 -15.08 C 16.17 -11.22 C 13.61 -9.18 C 11.27 -12.14 C 15.04 -8.86 C 17.42 -11.97 C 18.72 -11.22 C 16.17 -9.77 C 12.58 -12.82 C 18.72 -8.33 C 18.72 -9.77 C 17.42 -9.04 C 12.98 -10.48 C 13.61 -11.81 32 1 -2 33 2 -2 3 17 1 4 21 1 5 22 1 6 23 1 25 7 -1 26 8 -2 31 9 -2 31 10 -1 11 21 2 12 22 2 13 24 2 27 14 -2 15 23 2 15 35 1 16 25 1 16 34 1 28 17 -2 18 21 1 29 18 -2 19 22 1 30 19 -1 34 20 -1 35 20 -1 23 27 1 24 26 1 24 34 1 25 30 1 26 29 1 27 28 1 28 32 1 29 33 1 30 35 1 31 32 1 31 33 1 32 33 1 34 35 1', '35 38 H 19.70 -9.43 H 17.18 -8.20 C:56 21.11 -11.24 C:21 15.59 -5.84 C:21 11.72 -16.47 C:18 15.31 -10.22 C:17 10.02 -12.74 C:13 15.12 -7.44 C:29 18.51 -6.91 C:17 20.03 -7.99 O 17.69 -6.57 O 10.42 -14.56 O 12.75 -8.08 O 17.42 -13.36 C:117 15.04 -12.14 C:32 11.53 -10.68 O 19.92 -11.94 O 16.17 -8.26 O 12.80 -14.19 O 14.38 -10.61 C:170 16.50 -6.91 C:171 11.72 -15.08 C:141 16.17 -11.22 C:208 13.61 -9.18 C:28 11.27 -12.14 C:43 15.04 -8.86 C:73 17.42 -11.97 C:71 18.72 -11.22 C:81 16.17 -9.77 C:78 12.58 -12.82 C:19 18.72 -8.33 C:26 18.72 -9.77 C:32 17.42 -9.04 C:71 12.98 -10.48 C:74 13.61 -11.81 32 1 -2 33 2 -2 3 17 1 4 21 1 5 22 1 6 23 1 25 7 -1 26 8 -2 31 9 -2 31 10 -1 11 21 2 12 22 2 13 24 2 27 14 -2 15 23 2 15 35 1 16 25 1 16 34 1 28 17 -2 18 21 1 29 18 -2 19 22 1 30 19 -1 34 20 -1 35 20 -1 23 27 1 24 26 1 24 34 1 25 30 1 26 29 1 27 28 1 28 32 1 29 33 1 30 35 1 31 32 1 31 33 1 32 33 1 34 35 1', 'C25H36O8', 464.279, 'C', 'cpb03_431_8', 1865, '', '', '1', 36, NULL, NULL),
(8328, '', '3,12-Diacetyl-7-angeloyl-8-hydroxyingol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@:9]34[C@H:8](O)[C@H:7](O[C:7001](=O)[C:7002]([CH3:7201])=[CH:7003][CH3:7004])[C:6]([CH3:17])=[CH:5][C@@:4]12O[C@@:15]1([CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001]([CH3:3002])=O)[C:14](=O)[C@H:13]([CH3:20])[C@H:12](O[C:12001]([CH3:12002])=O)[C@@:11]3([H])[C@@:10]4([CH3:18])[CH3:19]', '[H][C@]34[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C[C@@]12O[C@@]1(C[C@H](C)[C@@H]2OC(C)=O)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@]3([H])[C@@]4(C)C', '[H][C@:30]34[C@H:70](O)[C@H:71](O[C:167](=O)[C:128]([CH3:20])=[CH:138][CH3:16])[C:138]([CH3:18])=[CH:117][C@@:73]12O[C@@:71]1([CH2:32][C@H:30]([CH3:17])[C@@H:77]2O[C:171]([CH3:21])=O)[C:208](=O)[C@H:43]([CH3:13])[C@H:80](O[C:170]([CH3:20])=O)[C@@:31]3([H])[C@@:19]4([CH3:29])[CH3:17]', '40 43 H 20.23 -9.42 H 17.73 -8.19 C:7004 14.33 -15.45 C:12002 16.13 -5.84 C:3002 12.26 -16.45 C:7201 17.98 -16.16 C:17 15.85 -10.20 C:16 10.56 -12.73 C:20 15.66 -7.43 C:18 19.05 -6.90 C:19 20.56 -7.98 O 18.22 -6.56 O 10.97 -14.55 O 15.55 -13.36 O 13.29 -8.07 O 20.45 -11.94 C:7003 15.55 -16.16 C:5 15.58 -12.13 C:1 12.07 -10.67 O 16.72 -8.25 O 13.34 -14.18 O 17.97 -13.36 O 14.92 -10.60 C:12001 17.05 -6.90 C:3001 12.26 -15.06 C:7002 16.76 -15.45 C:6 16.72 -11.21 C:7001 16.76 -14.06 C:14 14.15 -9.17 C:2 11.82 -12.13 C:13 15.58 -8.85 C:8 19.26 -11.21 C:7 17.97 -11.97 C:12 16.72 -9.76 C:3 13.12 -12.81 C:10 19.26 -8.32 C:9 19.26 -9.76 C:11 17.97 -9.03 C:15 13.53 -10.47 C:4 14.15 -11.81 37 1 -2 38 2 -2 3 17 1 4 24 1 5 25 1 6 26 1 7 27 1 30 8 -1 31 9 -2 36 10 -2 36 11 -1 12 24 2 13 25 2 14 28 2 15 29 2 32 16 -2 17 26 2 18 27 2 18 40 1 19 30 1 19 39 1 20 24 1 34 20 -2 21 25 1 35 21 -1 22 28 1 33 22 -2 39 23 -1 40 23 -1 26 28 1 27 33 1 29 31 1 29 39 1 30 35 1 31 34 1 32 33 1 32 37 1 34 38 1 35 40 1 36 37 1 36 38 1 37 38 1 39 40 1', '40 43 H 20.23 -9.42 H 17.73 -8.19 C 14.33 -15.45 C 16.13 -5.84 C 12.26 -16.45 C 17.98 -16.16 C 15.85 -10.20 C 10.56 -12.73 C 15.66 -7.43 C 19.05 -6.90 C 20.56 -7.98 O 18.22 -6.56 O 10.97 -14.55 O 15.55 -13.36 O 13.29 -8.07 O 20.45 -11.94 C 15.55 -16.16 C 15.58 -12.13 C 12.07 -10.67 O 16.72 -8.25 O 13.34 -14.18 O 17.97 -13.36 O 14.92 -10.60 C 17.05 -6.90 C 12.26 -15.06 C 16.76 -15.45 C 16.72 -11.21 C 16.76 -14.06 C 14.15 -9.17 C 11.82 -12.13 C 15.58 -8.85 C 19.26 -11.21 C 17.97 -11.97 C 16.72 -9.76 C 13.12 -12.81 C 19.26 -8.32 C 19.26 -9.76 C 17.97 -9.03 C 13.53 -10.47 C 14.15 -11.81 37 1 -2 38 2 -2 3 17 1 4 24 1 5 25 1 6 26 1 7 27 1 30 8 -1 31 9 -2 36 10 -2 36 11 -1 12 24 2 13 25 2 14 28 2 15 29 2 32 16 -2 17 26 2 18 27 2 18 40 1 19 30 1 19 39 1 20 24 1 34 20 -2 21 25 1 35 21 -1 22 28 1 33 22 -2 39 23 -1 40 23 -1 26 28 1 27 33 1 29 31 1 29 39 1 30 35 1 31 34 1 32 33 1 32 37 1 34 38 1 35 40 1 36 37 1 36 38 1 37 38 1 39 40 1', '40 43 H 20.23 -9.42 H 17.73 -8.19 C:16 14.33 -15.45 C:20 16.13 -5.84 C:21 12.26 -16.45 C:20 17.98 -16.16 C:18 15.85 -10.20 C:17 10.56 -12.73 C:13 15.66 -7.43 C:29 19.05 -6.90 C:17 20.56 -7.98 O 18.22 -6.56 O 10.97 -14.55 O 15.55 -13.36 O 13.29 -8.07 O 20.45 -11.94 C:138 15.55 -16.16 C:117 15.58 -12.13 C:32 12.07 -10.67 O 16.72 -8.25 O 13.34 -14.18 O 17.97 -13.36 O 14.92 -10.60 C:170 17.05 -6.90 C:171 12.26 -15.06 C:128 16.76 -15.45 C:138 16.72 -11.21 C:167 16.76 -14.06 C:208 14.15 -9.17 C:30 11.82 -12.13 C:43 15.58 -8.85 C:70 19.26 -11.21 C:71 17.97 -11.97 C:80 16.72 -9.76 C:77 13.12 -12.81 C:19 19.26 -8.32 C:30 19.26 -9.76 C:31 17.97 -9.03 C:71 13.53 -10.47 C:73 14.15 -11.81 37 1 -2 38 2 -2 3 17 1 4 24 1 5 25 1 6 26 1 7 27 1 30 8 -1 31 9 -2 36 10 -2 36 11 -1 12 24 2 13 25 2 14 28 2 15 29 2 32 16 -2 17 26 2 18 27 2 18 40 1 19 30 1 19 39 1 20 24 1 34 20 -2 21 25 1 35 21 -1 22 28 1 33 22 -2 39 23 -1 40 23 -1 26 28 1 27 33 1 29 31 1 29 39 1 30 35 1 31 34 1 32 33 1 32 37 1 34 38 1 35 40 1 36 37 1 36 38 1 37 38 1 39 40 1', 'C29H40O9', 532.321, 'C', 'cpb03_431_9', 1865, '', '', '1', 36, NULL, NULL),
(8329, 'Nivulianol A', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[CH3:7004][CH:7003]=[C:7002]([CH3:7201])[C:7001](=O)O[C@@H:7]3[C:6]([CH3:17])=[CH:5][C@@:4]12O[C@@:15]1([CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001]([CH3:3002])=O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@@H:9]([C:10]([CH3:19])([CH3:18])O)[C@@H:8]3O[CH3:8001]', 'CC=C(C)C(=O)O[C@@H]3C(C)=C[C@@]12O[C@@]1(C[C@H](C)[C@@H]2OC(C)=O)C(=O)[C@@H](C)C=C[C@@H](C(C)(C)O)[C@@H]3OC', '[CH3:16][CH:140]=[C:127]([CH3:21])[C:166](=O)O[C@@H:72]3[C:141]([CH3:17])=[CH:117][C@@:74]12O[C@@:73]1([CH2:34][C@H:30]([CH3:17])[C@@H:78]2O[C:170]([CH3:21])=O)[C:207](=O)[C@@H:46]([CH3:17])[CH:130]=[CH:132][C@@H:54]([C:81]([CH3:25])([CH3:30])O)[C@@H:72]3O[CH3:57]', '36 38 C:7004 13.76 -14.64 C:8001 21.00 -10.45 C:3002 11.72 -15.64 C:7201 17.38 -15.35 C:17 15.27 -9.43 C:20 14.98 -6.69 C:16 10.03 -11.94 C:19 21.00 -9.03 C:18 19.82 -6.90 O 10.44 -13.74 O 14.98 -12.56 O 12.79 -7.33 O 21.07 -7.63 C:7003 14.98 -15.35 C:12 16.17 -7.89 C:11 17.37 -8.27 C:5 14.98 -11.35 C:1 11.53 -9.90 O 19.82 -11.15 O 12.79 -13.38 O 17.38 -12.56 O 14.37 -9.84 C:3001 11.72 -14.26 C:7002 16.17 -14.64 C:6 16.17 -10.43 C:7001 16.17 -13.25 C:14 13.59 -8.41 C:13 14.98 -8.09 C:2 11.28 -11.35 C:9 18.65 -9.00 C:7 17.38 -11.18 C:8 18.65 -10.43 C:3 12.57 -12.02 C:10 19.82 -8.31 C:4 13.59 -11.02 C:15 12.97 -9.71 1 14 1 2 19 1 3 23 1 4 24 1 5 25 1 28 6 -1 29 7 -1 8 34 1 9 34 1 10 23 2 11 26 2 12 27 2 13 34 1 14 24 2 15 16 2 15 28 1 16 30 1 17 25 2 17 35 1 18 29 1 18 36 1 32 19 -2 20 23 1 33 20 -1 21 26 1 31 21 -2 35 22 -1 36 22 -1 24 26 1 25 31 1 27 28 1 27 36 1 29 33 1 30 32 1 30 34 -1 31 32 1 33 35 1 35 36 1', '36 38 C 13.76 -14.64 C 21.00 -10.45 C 11.72 -15.64 C 17.38 -15.35 C 15.27 -9.43 C 14.98 -6.69 C 10.03 -11.94 C 21.00 -9.03 C 19.82 -6.90 O 10.44 -13.74 O 14.98 -12.56 O 12.79 -7.33 O 21.07 -7.63 C 14.98 -15.35 C 16.17 -7.89 C 17.37 -8.27 C 14.98 -11.35 C 11.53 -9.90 O 19.82 -11.15 O 12.79 -13.38 O 17.38 -12.56 O 14.37 -9.84 C 11.72 -14.26 C 16.17 -14.64 C 16.17 -10.43 C 16.17 -13.25 C 13.59 -8.41 C 14.98 -8.09 C 11.28 -11.35 C 18.65 -9.00 C 17.38 -11.18 C 18.65 -10.43 C 12.57 -12.02 C 19.82 -8.31 C 13.59 -11.02 C 12.97 -9.71 1 14 1 2 19 1 3 23 1 4 24 1 5 25 1 28 6 -1 29 7 -1 8 34 1 9 34 1 10 23 2 11 26 2 12 27 2 13 34 1 14 24 2 15 16 2 15 28 1 16 30 1 17 25 2 17 35 1 18 29 1 18 36 1 32 19 -2 20 23 1 33 20 -1 21 26 1 31 21 -2 35 22 -1 36 22 -1 24 26 1 25 31 1 27 28 1 27 36 1 29 33 1 30 32 1 30 34 -1 31 32 1 33 35 1 35 36 1', '36 38 C:16 13.76 -14.64 C:57 21.00 -10.45 C:21 11.72 -15.64 C:21 17.38 -15.35 C:17 15.27 -9.43 C:17 14.98 -6.69 C:17 10.03 -11.94 C:25 21.00 -9.03 C:30 19.82 -6.90 O 10.44 -13.74 O 14.98 -12.56 O 12.79 -7.33 O 21.07 -7.63 C:140 14.98 -15.35 C:130 16.17 -7.89 C:132 17.37 -8.27 C:117 14.98 -11.35 C:34 11.53 -9.90 O 19.82 -11.15 O 12.79 -13.38 O 17.38 -12.56 O 14.37 -9.84 C:170 11.72 -14.26 C:127 16.17 -14.64 C:141 16.17 -10.43 C:166 16.17 -13.25 C:207 13.59 -8.41 C:46 14.98 -8.09 C:30 11.28 -11.35 C:54 18.65 -9.00 C:72 17.38 -11.18 C:72 18.65 -10.43 C:78 12.57 -12.02 C:81 19.82 -8.31 C:74 13.59 -11.02 C:73 12.97 -9.71 1 14 1 2 19 1 3 23 1 4 24 1 5 25 1 28 6 -1 29 7 -1 8 34 1 9 34 1 10 23 2 11 26 2 12 27 2 13 34 1 14 24 2 15 16 2 15 28 1 16 30 1 17 25 2 17 35 1 18 29 1 18 36 1 32 19 -2 20 23 1 33 20 -1 21 26 1 31 21 -2 35 22 -1 36 22 -1 24 26 1 25 31 1 27 28 1 27 36 1 29 33 1 30 32 1 30 34 -1 31 32 1 33 35 1 35 36 1', 'C28H40O8', 504.295, 'C', 'hca05_2527_2', 2107, '', '', '1', 36, NULL, NULL),
(8330, 'Nivulianol B', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[CH2:19]=[C:10]([CH3:18])[C@@H:9]2[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]13[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O[C:7001](=O)[C:7002]([CH3:7201])=[CH:7003][CH3:7004])[C@H:8]2O[CH3:8001])O3', 'C=C(C)[C@@H]2C=C[C@H](C)C(=O)[C@@]13C[C@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](OC(=O)C(C)=CC)[C@H]2OC)O3', '[CH2:111]=[C:146]([CH3:21])[C@@H:53]2[CH:132]=[CH:128][C@H:46]([CH3:17])[C:207](=O)[C@@:73]13[CH2:34][C@H:30]([CH3:17])[C@H:79](O[C:170]([CH3:21])=O)[C@:74]1([CH:117]=[C:142]([CH3:17])[C@@H:73](O[C:166](=O)[C:127]([CH3:21])=[CH:139][CH3:16])[C@H:78]2O[CH3:57])O3', '35 37 C:19 21.07 -9.06 C:7004 13.78 -14.65 C:8001 21.02 -10.48 C:18 19.84 -6.94 C:3002 11.74 -15.65 C:7201 17.39 -15.36 C:17 16.18 -9.16 C:20 14.99 -6.63 C:16 10.05 -11.96 O 10.47 -13.76 O 14.99 -12.58 O 12.76 -7.37 C:7003 14.99 -15.36 C:12 16.18 -7.92 C:11 17.38 -8.31 C:5 14.99 -11.37 C:1 11.55 -9.92 O 19.84 -11.17 O 12.81 -13.40 O 17.39 -12.58 O 14.38 -9.86 C:10 19.84 -8.34 C:3001 11.74 -14.27 C:7002 16.18 -14.65 C:6 16.18 -10.46 C:7001 16.18 -13.26 C:14 13.61 -8.44 C:13 14.99 -8.13 C:2 11.30 -11.37 C:9 18.66 -9.03 C:7 17.39 -11.20 C:8 18.66 -10.46 C:3 12.59 -12.04 C:4 13.61 -11.04 C:15 12.99 -9.73 1 22 2 2 13 1 3 18 1 4 22 1 5 23 1 6 24 1 7 25 1 28 8 -1 29 9 -1 10 23 2 11 26 2 12 27 2 13 24 2 14 15 2 14 28 1 15 30 1 16 25 2 16 34 1 17 29 1 17 35 1 32 18 -2 19 23 1 33 19 -1 20 26 1 31 20 -2 34 21 -1 35 21 -1 30 22 -1 24 26 1 25 31 1 27 28 1 27 35 1 29 33 1 30 32 1 31 32 1 33 34 1 34 35 1', '35 37 C 21.07 -9.06 C 13.78 -14.65 C 21.02 -10.48 C 19.84 -6.94 C 11.74 -15.65 C 17.39 -15.36 C 16.18 -9.16 C 14.99 -6.63 C 10.05 -11.96 O 10.47 -13.76 O 14.99 -12.58 O 12.76 -7.37 C 14.99 -15.36 C 16.18 -7.92 C 17.38 -8.31 C 14.99 -11.37 C 11.55 -9.92 O 19.84 -11.17 O 12.81 -13.40 O 17.39 -12.58 O 14.38 -9.86 C 19.84 -8.34 C 11.74 -14.27 C 16.18 -14.65 C 16.18 -10.46 C 16.18 -13.26 C 13.61 -8.44 C 14.99 -8.13 C 11.30 -11.37 C 18.66 -9.03 C 17.39 -11.20 C 18.66 -10.46 C 12.59 -12.04 C 13.61 -11.04 C 12.99 -9.73 1 22 2 2 13 1 3 18 1 4 22 1 5 23 1 6 24 1 7 25 1 28 8 -1 29 9 -1 10 23 2 11 26 2 12 27 2 13 24 2 14 15 2 14 28 1 15 30 1 16 25 2 16 34 1 17 29 1 17 35 1 32 18 -2 19 23 1 33 19 -1 20 26 1 31 20 -2 34 21 -1 35 21 -1 30 22 -1 24 26 1 25 31 1 27 28 1 27 35 1 29 33 1 30 32 1 31 32 1 33 34 1 34 35 1', '35 37 C:111 21.07 -9.06 C:16 13.78 -14.65 C:57 21.02 -10.48 C:21 19.84 -6.94 C:21 11.74 -15.65 C:21 17.39 -15.36 C:17 16.18 -9.16 C:17 14.99 -6.63 C:17 10.05 -11.96 O 10.47 -13.76 O 14.99 -12.58 O 12.76 -7.37 C:139 14.99 -15.36 C:128 16.18 -7.92 C:132 17.38 -8.31 C:117 14.99 -11.37 C:34 11.55 -9.92 O 19.84 -11.17 O 12.81 -13.40 O 17.39 -12.58 O 14.38 -9.86 C:146 19.84 -8.34 C:170 11.74 -14.27 C:127 16.18 -14.65 C:142 16.18 -10.46 C:166 16.18 -13.26 C:207 13.61 -8.44 C:46 14.99 -8.13 C:30 11.30 -11.37 C:53 18.66 -9.03 C:73 17.39 -11.20 C:78 18.66 -10.46 C:79 12.59 -12.04 C:74 13.61 -11.04 C:73 12.99 -9.73 1 22 2 2 13 1 3 18 1 4 22 1 5 23 1 6 24 1 7 25 1 28 8 -1 29 9 -1 10 23 2 11 26 2 12 27 2 13 24 2 14 15 2 14 28 1 15 30 1 16 25 2 16 34 1 17 29 1 17 35 1 32 18 -2 19 23 1 33 19 -1 20 26 1 31 20 -2 34 21 -1 35 21 -1 30 22 -1 24 26 1 25 31 1 27 28 1 27 35 1 29 33 1 30 32 1 31 32 1 33 34 1 34 35 1', 'C28H38O7', 486.295, 'C', 'hca05_2527_3', 2107, '', '', '1', 36, NULL, NULL),
(8331, 'Nivulianol C', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[CH3:8001]O[C@@H:8]3[C@H:7](O)[C:6]([CH3:17])=[CH:5][C@@:4]12O[C@@:15]1([CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001]([CH3:3002])=O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@H:9]3[C:10]([CH3:19])([CH3:18])O', 'CO[C@@H]3[C@H](O)C(C)=C[C@@]12O[C@@]1(C[C@H](C)[C@@H]2OC(C)=O)C(=O)[C@@H](C)C=C[C@H]3C(C)(C)O', '[CH3:56]O[C@@H:73]3[C@H:72](O)[C:143]([CH3:17])=[CH:117][C@@:74]12O[C@@:73]1([CH2:34][C@H:30]([CH3:17])[C@@H:78]2O[C:170]([CH3:21])=O)[C:207](=O)[C@@H:46]([CH3:17])[CH:129]=[CH:132][C@H:52]3[C:83]([CH3:25])([CH3:30])O', '30 32 C:8001 20.99 -10.45 C:3002 11.72 -15.63 C:17 16.15 -9.13 C:20 14.96 -6.68 C:16 10.03 -11.94 C:19 20.99 -9.03 C:18 19.81 -6.89 O 10.44 -13.74 O 12.79 -7.32 O 17.37 -12.56 O 21.06 -7.63 C:12 16.15 -7.89 C:11 17.36 -8.27 C:5 14.96 -11.35 C:1 11.53 -9.90 O 19.81 -11.15 O 12.79 -13.38 O 14.35 -9.84 C:3001 11.72 -14.25 C:6 16.15 -10.43 C:14 13.58 -8.41 C:13 14.96 -8.09 C:2 11.28 -11.35 C:7 17.37 -11.18 C:9 18.64 -9.00 C:8 18.64 -10.43 C:3 12.57 -12.02 C:10 19.81 -8.31 C:4 13.58 -11.02 C:15 12.96 -9.71 1 16 1 2 19 1 3 20 1 22 4 -1 23 5 -1 6 28 1 7 28 1 8 19 2 9 21 2 24 10 -2 11 28 1 12 13 2 12 22 1 13 25 1 14 20 2 14 29 1 15 23 1 15 30 1 26 16 -2 17 19 1 27 17 -1 29 18 -1 30 18 -1 20 24 1 21 22 1 21 30 1 23 27 1 24 26 1 25 26 1 25 28 -1 27 29 1 29 30 1', '30 32 C 20.99 -10.45 C 11.72 -15.63 C 16.15 -9.13 C 14.96 -6.68 C 10.03 -11.94 C 20.99 -9.03 C 19.81 -6.89 O 10.44 -13.74 O 12.79 -7.32 O 17.37 -12.56 O 21.06 -7.63 C 16.15 -7.89 C 17.36 -8.27 C 14.96 -11.35 C 11.53 -9.90 O 19.81 -11.15 O 12.79 -13.38 O 14.35 -9.84 C 11.72 -14.25 C 16.15 -10.43 C 13.58 -8.41 C 14.96 -8.09 C 11.28 -11.35 C 17.37 -11.18 C 18.64 -9.00 C 18.64 -10.43 C 12.57 -12.02 C 19.81 -8.31 C 13.58 -11.02 C 12.96 -9.71 1 16 1 2 19 1 3 20 1 22 4 -1 23 5 -1 6 28 1 7 28 1 8 19 2 9 21 2 24 10 -2 11 28 1 12 13 2 12 22 1 13 25 1 14 20 2 14 29 1 15 23 1 15 30 1 26 16 -2 17 19 1 27 17 -1 29 18 -1 30 18 -1 20 24 1 21 22 1 21 30 1 23 27 1 24 26 1 25 26 1 25 28 -1 27 29 1 29 30 1', '30 32 C:56 20.99 -10.45 C:21 11.72 -15.63 C:17 16.15 -9.13 C:17 14.96 -6.68 C:17 10.03 -11.94 C:25 20.99 -9.03 C:30 19.81 -6.89 O 10.44 -13.74 O 12.79 -7.32 O 17.37 -12.56 O 21.06 -7.63 C:129 16.15 -7.89 C:132 17.36 -8.27 C:117 14.96 -11.35 C:34 11.53 -9.90 O 19.81 -11.15 O 12.79 -13.38 O 14.35 -9.84 C:170 11.72 -14.25 C:143 16.15 -10.43 C:207 13.58 -8.41 C:46 14.96 -8.09 C:30 11.28 -11.35 C:72 17.37 -11.18 C:52 18.64 -9.00 C:73 18.64 -10.43 C:78 12.57 -12.02 C:83 19.81 -8.31 C:74 13.58 -11.02 C:73 12.96 -9.71 1 16 1 2 19 1 3 20 1 22 4 -1 23 5 -1 6 28 1 7 28 1 8 19 2 9 21 2 24 10 -2 11 28 1 12 13 2 12 22 1 13 25 1 14 20 2 14 29 1 15 23 1 15 30 1 26 16 -2 17 19 1 27 17 -1 29 18 -1 30 18 -1 20 24 1 21 22 1 21 30 1 23 27 1 24 26 1 25 26 1 25 28 -1 27 29 1 29 30 1', 'C23H34O7', 422.242, 'C', 'hca05_2527_5', 2107, '', '', '1', 36, NULL, NULL),
(8332, 'Nivulianol D', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[CH2:19]=[C:10]([CH3:18])[C@@H:9]2[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]13[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O)[C@H:8]2O[CH3:8001])O3', 'C=C(C)[C@@H]2C=C[C@H](C)C(=O)[C@@]13C[C@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](O)[C@H]2OC)O3', '[CH2:111]=[C:146]([CH3:30])[C@@H:51]2[CH:132]=[CH:128][C@H:46]([CH3:21])[C:207](=O)[C@@:74]13[CH2:34][C@H:30]([CH3:17])[C@H:78](O[C:170]([CH3:21])=O)[C@:74]1([CH:117]=[C:143]([CH3:17])[C@@H:73](O)[C@H:73]2O[CH3:58])O3', '29 31 C:19 21.09 -9.05 C:8001 21.04 -10.46 C:18 19.87 -6.93 C:3002 11.78 -15.62 C:17 16.22 -9.14 C:20 15.03 -6.62 C:16 10.09 -11.94 O 10.51 -13.73 O 12.80 -7.36 O 17.43 -12.56 C:12 16.22 -7.91 C:11 17.43 -8.30 C:5 15.03 -11.35 C:1 11.59 -9.90 O 19.87 -11.15 O 12.85 -13.37 O 14.42 -9.84 C:10 19.87 -8.33 C:3001 11.78 -14.24 C:6 16.22 -10.44 C:14 13.65 -8.43 C:13 15.03 -8.12 C:2 11.34 -11.35 C:7 17.43 -11.18 C:9 18.69 -9.02 C:8 18.69 -10.44 C:3 12.63 -12.02 C:15 13.03 -9.71 C:4 13.65 -11.02 1 18 2 2 15 1 3 18 1 4 19 1 5 20 1 22 6 -1 23 7 -1 8 19 2 9 21 2 24 10 -2 11 12 2 11 22 1 12 25 1 13 20 2 13 29 1 14 23 1 14 28 1 26 15 -2 16 19 1 27 16 -1 28 17 -1 29 17 -1 25 18 -1 20 24 1 21 22 1 21 28 1 23 27 1 24 26 1 25 26 1 27 29 1 28 29 1', '29 31 C 21.09 -9.05 C 21.04 -10.46 C 19.87 -6.93 C 11.78 -15.62 C 16.22 -9.14 C 15.03 -6.62 C 10.09 -11.94 O 10.51 -13.73 O 12.80 -7.36 O 17.43 -12.56 C 16.22 -7.91 C 17.43 -8.30 C 15.03 -11.35 C 11.59 -9.90 O 19.87 -11.15 O 12.85 -13.37 O 14.42 -9.84 C 19.87 -8.33 C 11.78 -14.24 C 16.22 -10.44 C 13.65 -8.43 C 15.03 -8.12 C 11.34 -11.35 C 17.43 -11.18 C 18.69 -9.02 C 18.69 -10.44 C 12.63 -12.02 C 13.03 -9.71 C 13.65 -11.02 1 18 2 2 15 1 3 18 1 4 19 1 5 20 1 22 6 -1 23 7 -1 8 19 2 9 21 2 24 10 -2 11 12 2 11 22 1 12 25 1 13 20 2 13 29 1 14 23 1 14 28 1 26 15 -2 16 19 1 27 16 -1 28 17 -1 29 17 -1 25 18 -1 20 24 1 21 22 1 21 28 1 23 27 1 24 26 1 25 26 1 27 29 1 28 29 1', '29 31 C:111 21.09 -9.05 C:58 21.04 -10.46 C:30 19.87 -6.93 C:21 11.78 -15.62 C:17 16.22 -9.14 C:21 15.03 -6.62 C:17 10.09 -11.94 O 10.51 -13.73 O 12.80 -7.36 O 17.43 -12.56 C:128 16.22 -7.91 C:132 17.43 -8.30 C:117 15.03 -11.35 C:34 11.59 -9.90 O 19.87 -11.15 O 12.85 -13.37 O 14.42 -9.84 C:146 19.87 -8.33 C:170 11.78 -14.24 C:143 16.22 -10.44 C:207 13.65 -8.43 C:46 15.03 -8.12 C:30 11.34 -11.35 C:73 17.43 -11.18 C:51 18.69 -9.02 C:73 18.69 -10.44 C:78 12.63 -12.02 C:74 13.03 -9.71 C:74 13.65 -11.02 1 18 2 2 15 1 3 18 1 4 19 1 5 20 1 22 6 -1 23 7 -1 8 19 2 9 21 2 24 10 -2 11 12 2 11 22 1 12 25 1 13 20 2 13 29 1 14 23 1 14 28 1 26 15 -2 16 19 1 27 16 -1 28 17 -1 29 17 -1 25 18 -1 20 24 1 21 22 1 21 28 1 23 27 1 24 26 1 25 26 1 27 29 1 28 29 1', 'C23H32O6', 404.242, 'C', 'hca05_2527_6', 2107, '', '', '1', 36, NULL, NULL),
(8333, 'Ingenol', '', 'Terpenoids', 'Diterpenoids', 'Ingenanes', '[H][C@@:8]23[CH:7]=[C:6]([CH2:20]O)[C@@H:5](O)[C@:4]1(O)[C@@H:3](O)[C:2]([CH3:19])=[CH:1][C@@:10]1([C:9]2=O)[C@H:11]([CH3:18])[CH2:12][C@@:13]4([H])[C@@:15]([CH3:16])([CH3:17])[C@@:14]34[H]', '[H][C@@]23C=C(CO)[C@@H](O)[C@]1(O)[C@@H](O)C(C)=C[C@@]1(C2=O)[C@H](C)C[C@@]4([H])[C@@](C)(C)[C@@]34[H]', '[H][C@@:44]23[CH:127]=[C:139]([CH2:67]O)[C@@H:75](O)[C@:84]1(O)[C@@H:80](O)[C:141]([CH3:16])=[CH:129][C@@:73]1([C:208]2=O)[C@H:35]([CH3:17])[CH2:31][C@@:23]4([H])[C@@:24]([CH3:29])([CH3:15])[C@@:23]34[H]', '28 31 H 18.63 -10.72 H 17.05 -7.15 H 19.04 -9.37 C:19 11.05 -10.51 C:18 13.43 -8.47 C:16 20.07 -7.83 C:17 19.23 -6.63 O 16.17 -8.99 O 16.77 -15.70 O 12.37 -13.44 O 14.87 -14.50 O 14.18 -13.44 C:7 17.81 -12.08 C:1 13.59 -9.90 C:20 17.55 -14.54 C:12 15.76 -8.15 C:2 12.47 -10.85 C:9 16.19 -10.02 C:6 16.91 -13.22 C:11 14.73 -9.12 C:3 13.06 -12.22 C:5 15.45 -13.22 C:15 18.62 -7.98 C:8 17.48 -10.66 C:13 17.20 -8.15 C:14 18.00 -9.26 C:4 14.51 -12.08 C:10 14.86 -10.66 24 1 -1 25 2 -2 26 3 -2 4 17 1 20 5 -2 23 6 -2 23 7 -1 8 18 2 9 15 1 21 10 -1 22 11 -1 27 12 -1 13 19 2 13 24 1 14 17 2 14 28 1 15 19 1 16 20 1 16 25 1 17 21 1 18 24 1 28 18 -2 19 22 1 20 28 1 21 27 1 22 27 1 23 25 1 23 26 1 24 26 1 25 26 1 27 28 1', '28 31 H 18.63 -10.72 H 17.05 -7.15 H 19.04 -9.37 C 11.05 -10.51 C 13.43 -8.47 C 20.07 -7.83 C 19.23 -6.63 O 16.17 -8.99 O 16.77 -15.70 O 12.37 -13.44 O 14.87 -14.50 O 14.18 -13.44 C 17.81 -12.08 C 13.59 -9.90 C 17.55 -14.54 C 15.76 -8.15 C 12.47 -10.85 C 16.19 -10.02 C 16.91 -13.22 C 14.73 -9.12 C 13.06 -12.22 C 15.45 -13.22 C 18.62 -7.98 C 17.48 -10.66 C 17.20 -8.15 C 18.00 -9.26 C 14.51 -12.08 C 14.86 -10.66 24 1 -1 25 2 -2 26 3 -2 4 17 1 20 5 -2 23 6 -2 23 7 -1 8 18 2 9 15 1 21 10 -1 22 11 -1 27 12 -1 13 19 2 13 24 1 14 17 2 14 28 1 15 19 1 16 20 1 16 25 1 17 21 1 18 24 1 28 18 -2 19 22 1 20 28 1 21 27 1 22 27 1 23 25 1 23 26 1 24 26 1 25 26 1 27 28 1', '28 31 H 18.63 -10.72 H 17.05 -7.15 H 19.04 -9.37 C:16 11.05 -10.51 C:17 13.43 -8.47 C:29 20.07 -7.83 C:15 19.23 -6.63 O 16.17 -8.99 O 16.77 -15.70 O 12.37 -13.44 O 14.87 -14.50 O 14.18 -13.44 C:127 17.81 -12.08 C:129 13.59 -9.90 C:67 17.55 -14.54 C:31 15.76 -8.15 C:141 12.47 -10.85 C:208 16.19 -10.02 C:139 16.91 -13.22 C:35 14.73 -9.12 C:80 13.06 -12.22 C:75 15.45 -13.22 C:24 18.62 -7.98 C:44 17.48 -10.66 C:23 17.20 -8.15 C:23 18.00 -9.26 C:84 14.51 -12.08 C:73 14.86 -10.66 24 1 -1 25 2 -2 26 3 -2 4 17 1 20 5 -2 23 6 -2 23 7 -1 8 18 2 9 15 1 21 10 -1 22 11 -1 27 12 -1 13 19 2 13 24 1 14 17 2 14 28 1 15 19 1 16 20 1 16 25 1 17 21 1 18 24 1 28 18 -2 19 22 1 20 28 1 21 27 1 22 27 1 23 25 1 23 26 1 24 26 1 25 26 1 27 28 1', 'C20H28O5', 348.235, 'C', 'np99_76_1a', 128, '', '', '1', 36, NULL, NULL),
(8334, '', '(2S*,3S*,4R*,5R*,6R*,11S*,15R*)-5,15-Diacetoxy-3-phenylacetoxy-14-oxolathyra-6(17),12E-diene-6(17)-epoxide', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]45[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001](=O)[c:3002]1[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]1)[C@:4]2([H])[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[c:7002]3[cH:7007][cH:7006][cH:7005][cH:7004][cH:7003]3)[CH2:8][C@:9]4([H])[C@:10]5([CH3:18])[CH3:19]', '[H][C@@]45C=C(C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]2([H])[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)c3ccccc3)C[C@]4([H])[C@]5(C)C', '[H][C@@:28]45[CH:143]=[C:136]([CH3:13])[C:198](=O)[C@@:92]2(O[C:170]([CH3:22])=O)[CH2:48][C@H:38]([CH3:14])[C@H:80](O[C:166](=O)[c:130]1[cH:130][cH:128][cH:133][cH:128][cH:130]1)[C@:53]2([H])[C@@H:64](O[C:169]([CH3:21])=O)[C:142](=[CH2:120])[C@H:79](O[C:166](=O)[c:130]3[cH:130][cH:128][cH:133][cH:128][cH:130]3)[CH2:29][C@:32]4([H])[C@:25]5([CH3:29])[CH3:17]', '50 54 H 17.73 -6.21 H 20.38 -7.49 H 14.57 -10.82 C:17 16.47 -8.33 C:5002 15.32 -13.97 C:15002 10.52 -6.28 C:20 15.92 -5.42 C:16 10.43 -10.88 C:18 18.99 -4.98 C:19 20.72 -5.99 O 13.81 -12.24 O 10.57 -8.69 O 20.50 -11.50 O 10.61 -12.36 O 13.27 -6.10 C:12 16.78 -7.64 C:7005 19.25 -16.39 C:3005 11.83 -17.26 C:7006 18.04 -15.68 C:7004 20.48 -15.70 C:3006 10.62 -16.56 C:3004 13.04 -16.56 C:7007 18.05 -14.28 C:7003 20.48 -14.30 C:3007 10.62 -15.16 C:3003 13.04 -15.16 C:8 19.40 -9.32 C:1 11.98 -8.77 O 15.95 -11.62 O 18.07 -11.48 O 13.05 -12.36 O 12.65 -7.44 C:5001 14.96 -12.61 C:15001 11.25 -7.47 C:13 15.59 -6.90 C:6 16.78 -9.53 C:7001 19.28 -12.19 C:3001 11.83 -13.05 C:14 14.14 -7.22 C:7002 19.27 -13.59 C:3002 11.83 -14.46 C:2 11.72 -10.26 C:7 18.08 -10.08 C:5 15.59 -10.26 C:3 13.05 -10.96 C:11 18.08 -7.09 C:10 19.37 -6.37 C:9 19.40 -7.84 C:4 14.14 -9.92 C:15 13.50 -8.57 46 1 -2 48 2 -2 49 3 -2 4 36 2 5 33 1 6 34 1 7 35 1 42 8 -1 47 9 -2 47 10 -1 11 33 2 12 34 2 13 37 2 14 38 2 15 39 2 16 35 2 16 46 1 17 19 1 17 20 2 18 21 1 18 22 2 19 23 2 20 24 1 21 25 2 22 26 1 23 40 1 24 40 2 25 41 1 26 41 2 27 43 1 27 48 1 28 42 1 28 50 1 29 33 1 44 29 -2 30 37 1 43 30 -1 31 38 1 45 31 -1 32 34 1 50 32 -1 35 39 1 36 43 1 36 44 1 37 40 1 38 41 1 39 50 1 42 45 1 44 49 1 45 49 1 46 47 1 46 48 1 47 48 1 49 50 1', '50 54 H 17.73 -6.21 H 20.38 -7.49 H 14.57 -10.82 C 16.47 -8.33 C 15.32 -13.97 C 10.52 -6.28 C 15.92 -5.42 C 10.43 -10.88 C 18.99 -4.98 C 20.72 -5.99 O 13.81 -12.24 O 10.57 -8.69 O 20.50 -11.50 O 10.61 -12.36 O 13.27 -6.10 C 16.78 -7.64 C 19.25 -16.39 C 11.83 -17.26 C 18.04 -15.68 C 20.48 -15.70 C 10.62 -16.56 C 13.04 -16.56 C 18.05 -14.28 C 20.48 -14.30 C 10.62 -15.16 C 13.04 -15.16 C 19.40 -9.32 C 11.98 -8.77 O 15.95 -11.62 O 18.07 -11.48 O 13.05 -12.36 O 12.65 -7.44 C 14.96 -12.61 C 11.25 -7.47 C 15.59 -6.90 C 16.78 -9.53 C 19.28 -12.19 C 11.83 -13.05 C 14.14 -7.22 C 19.27 -13.59 C 11.83 -14.46 C 11.72 -10.26 C 18.08 -10.08 C 15.59 -10.26 C 13.05 -10.96 C 18.08 -7.09 C 19.37 -6.37 C 19.40 -7.84 C 14.14 -9.92 C 13.50 -8.57 46 1 -2 48 2 -2 49 3 -2 4 36 2 5 33 1 6 34 1 7 35 1 42 8 -1 47 9 -2 47 10 -1 11 33 2 12 34 2 13 37 2 14 38 2 15 39 2 16 35 2 16 46 1 17 19 1 17 20 2 18 21 1 18 22 2 19 23 2 20 24 1 21 25 2 22 26 1 23 40 1 24 40 2 25 41 1 26 41 2 27 43 1 27 48 1 28 42 1 28 50 1 29 33 1 44 29 -2 30 37 1 43 30 -1 31 38 1 45 31 -1 32 34 1 50 32 -1 35 39 1 36 43 1 36 44 1 37 40 1 38 41 1 39 50 1 42 45 1 44 49 1 45 49 1 46 47 1 46 48 1 47 48 1 49 50 1', '50 54 H 17.73 -6.21 H 20.38 -7.49 H 14.57 -10.82 C:120 16.47 -8.33 C:21 15.32 -13.97 C:22 10.52 -6.28 C:13 15.92 -5.42 C:14 10.43 -10.88 C:29 18.99 -4.98 C:17 20.72 -5.99 O 13.81 -12.24 O 10.57 -8.69 O 20.50 -11.50 O 10.61 -12.36 O 13.27 -6.10 C:143 16.78 -7.64 C:133 19.25 -16.39 C:133 11.83 -17.26 C:128 18.04 -15.68 C:128 20.48 -15.70 C:128 10.62 -16.56 C:128 13.04 -16.56 C:130 18.05 -14.28 C:130 20.48 -14.30 C:130 10.62 -15.16 C:130 13.04 -15.16 C:29 19.40 -9.32 C:48 11.98 -8.77 O 15.95 -11.62 O 18.07 -11.48 O 13.05 -12.36 O 12.65 -7.44 C:169 14.96 -12.61 C:170 11.25 -7.47 C:136 15.59 -6.90 C:142 16.78 -9.53 C:166 19.28 -12.19 C:166 11.83 -13.05 C:198 14.14 -7.22 C:130 19.27 -13.59 C:130 11.83 -14.46 C:38 11.72 -10.26 C:79 18.08 -10.08 C:64 15.59 -10.26 C:80 13.05 -10.96 C:28 18.08 -7.09 C:25 19.37 -6.37 C:32 19.40 -7.84 C:53 14.14 -9.92 C:92 13.50 -8.57 46 1 -2 48 2 -2 49 3 -2 4 36 2 5 33 1 6 34 1 7 35 1 42 8 -1 47 9 -2 47 10 -1 11 33 2 12 34 2 13 37 2 14 38 2 15 39 2 16 35 2 16 46 1 17 19 1 17 20 2 18 21 1 18 22 2 19 23 2 20 24 1 21 25 2 22 26 1 23 40 1 24 40 2 25 41 1 26 41 2 27 43 1 27 48 1 28 42 1 28 50 1 29 33 1 44 29 -2 30 37 1 43 30 -1 31 38 1 45 31 -1 32 34 1 50 32 -1 35 39 1 36 43 1 36 44 1 37 40 1 38 41 1 39 50 1 42 45 1 44 49 1 45 49 1 46 47 1 46 48 1 47 48 1 49 50 1', 'C38H42O9', 642.425, 'C', 'np99_76_3', 128, '', '', '1', 36, 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
(8335, '', '(2S*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-Diacetoxy-3-benzoyloxy-14-oxolathyra-6(17),(12E)-diene', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]34[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001](=O)[c:3002]1[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]1)[C@:4]2([H])[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[CH2:7][CH2:8][C@:9]3([H])[C@@:10]4([CH3:19])[CH3:18]', '[H][C@@]34C=C(C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]2([H])[C@@H](OC(C)=O)C(=C)CC[C@]3([H])[C@@]4(C)C', '[H][C@@:29]34[CH:147]=[C:134]([CH3:12])[C:197](=O)[C@@:93]2(O[C:170]([CH3:22])=O)[CH2:49][C@H:38]([CH3:14])[C@H:81](O[C:166](=O)[c:130]1[cH:130][cH:128][cH:133][cH:128][cH:130]1)[C@:52]2([H])[C@@H:65](O[C:170]([CH3:21])=O)[C:145](=[CH2:115])[CH2:35][CH2:22][C@:35]3([H])[C@@:25]4([CH3:17])[CH3:29]', '41 44 H 17.74 -6.22 H 20.40 -7.51 H 14.59 -10.84 C:17 16.49 -8.35 C:5002 15.34 -13.99 C:15002 10.54 -6.29 C:20 15.94 -5.43 C:16 10.45 -10.90 C:19 20.74 -6.00 C:18 19.01 -4.99 O 13.83 -12.26 O 10.59 -8.71 O 10.63 -12.38 O 13.29 -6.11 C:12 16.80 -7.66 C:3005 11.85 -17.28 C:3004 13.06 -16.58 C:3006 10.64 -16.58 C:3003 13.06 -15.18 C:3007 10.64 -15.18 C:7 18.09 -10.10 C:8 19.42 -9.34 C:1 12.00 -8.79 O 15.97 -11.64 O 13.07 -12.38 O 12.67 -7.49 C:5001 14.98 -12.63 C:15001 11.27 -7.49 C:13 15.61 -6.91 C:6 16.80 -9.55 C:3001 11.85 -13.07 C:14 14.16 -7.23 C:3002 11.85 -14.48 C:2 11.74 -10.28 C:5 15.61 -10.28 C:3 13.07 -10.98 C:11 18.09 -7.10 C:10 19.39 -6.38 C:9 19.42 -7.86 C:4 14.16 -9.94 C:15 13.52 -8.59 37 1 -2 39 2 -2 40 3 -2 4 30 2 5 27 1 6 28 1 7 29 1 34 8 -1 38 9 -1 38 10 -2 11 27 2 12 28 2 13 31 2 14 32 2 15 29 2 15 37 1 16 17 2 16 18 1 17 19 1 18 20 2 19 33 2 20 33 1 21 22 1 21 30 1 22 39 1 23 34 1 23 41 1 24 27 1 35 24 -2 25 31 1 36 25 -1 26 28 1 41 26 -1 29 32 1 30 35 1 31 33 1 32 41 1 34 36 1 35 40 1 36 40 1 37 38 1 37 39 1 38 39 1 40 41 1', '41 44 H 17.74 -6.22 H 20.40 -7.51 H 14.59 -10.84 C 16.49 -8.35 C 15.34 -13.99 C 10.54 -6.29 C 15.94 -5.43 C 10.45 -10.90 C 20.74 -6.00 C 19.01 -4.99 O 13.83 -12.26 O 10.59 -8.71 O 10.63 -12.38 O 13.29 -6.11 C 16.80 -7.66 C 11.85 -17.28 C 13.06 -16.58 C 10.64 -16.58 C 13.06 -15.18 C 10.64 -15.18 C 18.09 -10.10 C 19.42 -9.34 C 12.00 -8.79 O 15.97 -11.64 O 13.07 -12.38 O 12.67 -7.49 C 14.98 -12.63 C 11.27 -7.49 C 15.61 -6.91 C 16.80 -9.55 C 11.85 -13.07 C 14.16 -7.23 C 11.85 -14.48 C 11.74 -10.28 C 15.61 -10.28 C 13.07 -10.98 C 18.09 -7.10 C 19.39 -6.38 C 19.42 -7.86 C 14.16 -9.94 C 13.52 -8.59 37 1 -2 39 2 -2 40 3 -2 4 30 2 5 27 1 6 28 1 7 29 1 34 8 -1 38 9 -1 38 10 -2 11 27 2 12 28 2 13 31 2 14 32 2 15 29 2 15 37 1 16 17 2 16 18 1 17 19 1 18 20 2 19 33 2 20 33 1 21 22 1 21 30 1 22 39 1 23 34 1 23 41 1 24 27 1 35 24 -2 25 31 1 36 25 -1 26 28 1 41 26 -1 29 32 1 30 35 1 31 33 1 32 41 1 34 36 1 35 40 1 36 40 1 37 38 1 37 39 1 38 39 1 40 41 1', '41 44 H 17.74 -6.22 H 20.40 -7.51 H 14.59 -10.84 C:115 16.49 -8.35 C:21 15.34 -13.99 C:22 10.54 -6.29 C:12 15.94 -5.43 C:14 10.45 -10.90 C:17 20.74 -6.00 C:29 19.01 -4.99 O 13.83 -12.26 O 10.59 -8.71 O 10.63 -12.38 O 13.29 -6.11 C:147 16.80 -7.66 C:133 11.85 -17.28 C:128 13.06 -16.58 C:128 10.64 -16.58 C:130 13.06 -15.18 C:130 10.64 -15.18 C:35 18.09 -10.10 C:22 19.42 -9.34 C:49 12.00 -8.79 O 15.97 -11.64 O 13.07 -12.38 O 12.67 -7.49 C:170 14.98 -12.63 C:170 11.27 -7.49 C:134 15.61 -6.91 C:145 16.80 -9.55 C:166 11.85 -13.07 C:197 14.16 -7.23 C:130 11.85 -14.48 C:38 11.74 -10.28 C:65 15.61 -10.28 C:81 13.07 -10.98 C:29 18.09 -7.10 C:25 19.39 -6.38 C:35 19.42 -7.86 C:52 14.16 -9.94 C:93 13.52 -8.59 37 1 -2 39 2 -2 40 3 -2 4 30 2 5 27 1 6 28 1 7 29 1 34 8 -1 38 9 -1 38 10 -2 11 27 2 12 28 2 13 31 2 14 32 2 15 29 2 15 37 1 16 17 2 16 18 1 17 19 1 18 20 2 19 33 2 20 33 1 21 22 1 21 30 1 22 39 1 23 34 1 23 41 1 24 27 1 35 24 -2 25 31 1 36 25 -1 26 28 1 41 26 -1 29 32 1 30 35 1 31 33 1 32 41 1 34 36 1 35 40 1 36 40 1 37 38 1 37 39 1 38 39 1 40 41 1', 'C31H38O7', 522.351, 'C', 'np99_76_4a', 128, '', '', '1', 36, NULL, NULL),
(8336, '', '(2S*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-Diacetoxy-3-nicotinoyloxy-14-oxolathyra-6(17),(12E)-diene', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]34[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001](=O)[c:3002]1[cH:3006][cH:3005][cH:3004]n[cH:3003]1)[C@:4]2([H])[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[CH2:7][CH2:8][C@:9]3([H])[C@@:10]4([CH3:19])[CH3:18]', '[H][C@@]34C=C(C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c1cccnc1)[C@]2([H])[C@@H](OC(C)=O)C(=C)CC[C@]3([H])[C@@]4(C)C', '[H][C@@:29]34[CH:147]=[C:134]([CH3:12])[C:197](=O)[C@@:92]2(O[C:170]([CH3:22])=O)[CH2:49][C@H:38]([CH3:14])[C@H:82](O[C:165](=O)[c:126]1[cH:123][cH:137][cH:153]n[cH:151]1)[C@:52]2([H])[C@@H:66](O[C:170]([CH3:21])=O)[C:144](=[CH2:116])[CH2:35][CH2:21][C@:35]3([H])[C@@:25]4([CH3:17])[CH3:29]', '41 44 H 17.74 -6.22 H 20.40 -7.51 H 14.59 -10.84 C:17 16.49 -8.35 C:5002 15.34 -13.99 C:15002 10.54 -6.29 C:20 15.94 -5.43 C:16 10.45 -10.90 C:19 20.74 -6.00 C:18 19.01 -4.99 O 13.83 -12.26 O 10.59 -8.71 O 10.63 -12.38 O 13.29 -6.11 C:12 16.80 -7.66 C:3005 10.64 -16.58 C:3004 11.85 -17.28 C:3006 10.64 -15.18 C:3003 13.06 -15.18 C:7 18.09 -10.10 C:8 19.42 -9.34 C:1 12.00 -8.79 N 13.06 -16.58 O 15.97 -11.64 O 13.07 -12.38 O 12.67 -7.49 C:5001 14.98 -12.63 C:15001 11.27 -7.49 C:13 15.61 -6.91 C:6 16.80 -9.55 C:3001 11.85 -13.07 C:14 14.16 -7.23 C:3002 11.85 -14.48 C:2 11.74 -10.28 C:5 15.61 -10.28 C:3 13.07 -10.98 C:11 18.09 -7.10 C:10 19.39 -6.38 C:9 19.42 -7.86 C:4 14.16 -9.94 C:15 13.52 -8.59 37 1 -2 39 2 -2 40 3 -2 4 30 2 5 27 1 6 28 1 7 29 1 34 8 -1 38 9 -1 38 10 -2 11 27 2 12 28 2 13 31 2 14 32 2 15 29 2 15 37 1 16 17 1 16 18 2 17 23 2 18 33 1 19 23 1 19 33 2 20 21 1 20 30 1 21 39 1 22 34 1 22 41 1 24 27 1 35 24 -2 25 31 1 36 25 -1 26 28 1 41 26 -1 29 32 1 30 35 1 31 33 1 32 41 1 34 36 1 35 40 1 36 40 1 37 38 1 37 39 1 38 39 1 40 41 1', '41 44 H 17.74 -6.22 H 20.40 -7.51 H 14.59 -10.84 C 16.49 -8.35 C 15.34 -13.99 C 10.54 -6.29 C 15.94 -5.43 C 10.45 -10.90 C 20.74 -6.00 C 19.01 -4.99 O 13.83 -12.26 O 10.59 -8.71 O 10.63 -12.38 O 13.29 -6.11 C 16.80 -7.66 C 10.64 -16.58 C 11.85 -17.28 C 10.64 -15.18 C 13.06 -15.18 C 18.09 -10.10 C 19.42 -9.34 C 12.00 -8.79 N 13.06 -16.58 O 15.97 -11.64 O 13.07 -12.38 O 12.67 -7.49 C 14.98 -12.63 C 11.27 -7.49 C 15.61 -6.91 C 16.80 -9.55 C 11.85 -13.07 C 14.16 -7.23 C 11.85 -14.48 C 11.74 -10.28 C 15.61 -10.28 C 13.07 -10.98 C 18.09 -7.10 C 19.39 -6.38 C 19.42 -7.86 C 14.16 -9.94 C 13.52 -8.59 37 1 -2 39 2 -2 40 3 -2 4 30 2 5 27 1 6 28 1 7 29 1 34 8 -1 38 9 -1 38 10 -2 11 27 2 12 28 2 13 31 2 14 32 2 15 29 2 15 37 1 16 17 1 16 18 2 17 23 2 18 33 1 19 23 1 19 33 2 20 21 1 20 30 1 21 39 1 22 34 1 22 41 1 24 27 1 35 24 -2 25 31 1 36 25 -1 26 28 1 41 26 -1 29 32 1 30 35 1 31 33 1 32 41 1 34 36 1 35 40 1 36 40 1 37 38 1 37 39 1 38 39 1 40 41 1', '41 44 H 17.74 -6.22 H 20.40 -7.51 H 14.59 -10.84 C:116 16.49 -8.35 C:21 15.34 -13.99 C:22 10.54 -6.29 C:12 15.94 -5.43 C:14 10.45 -10.90 C:17 20.74 -6.00 C:29 19.01 -4.99 O 13.83 -12.26 O 10.59 -8.71 O 10.63 -12.38 O 13.29 -6.11 C:147 16.80 -7.66 C:137 10.64 -16.58 C:153 11.85 -17.28 C:123 10.64 -15.18 C:151 13.06 -15.18 C:35 18.09 -10.10 C:21 19.42 -9.34 C:49 12.00 -8.79 N 13.06 -16.58 O 15.97 -11.64 O 13.07 -12.38 O 12.67 -7.49 C:170 14.98 -12.63 C:170 11.27 -7.49 C:134 15.61 -6.91 C:144 16.80 -9.55 C:165 11.85 -13.07 C:197 14.16 -7.23 C:126 11.85 -14.48 C:38 11.74 -10.28 C:66 15.61 -10.28 C:82 13.07 -10.98 C:29 18.09 -7.10 C:25 19.39 -6.38 C:35 19.42 -7.86 C:52 14.16 -9.94 C:92 13.52 -8.59 37 1 -2 39 2 -2 40 3 -2 4 30 2 5 27 1 6 28 1 7 29 1 34 8 -1 38 9 -1 38 10 -2 11 27 2 12 28 2 13 31 2 14 32 2 15 29 2 15 37 1 16 17 1 16 18 2 17 23 2 18 33 1 19 23 1 19 33 2 20 21 1 20 30 1 21 39 1 22 34 1 22 41 1 24 27 1 35 24 -2 25 31 1 36 25 -1 26 28 1 41 26 -1 29 32 1 30 35 1 31 33 1 32 41 1 34 36 1 35 40 1 36 40 1 37 38 1 37 39 1 38 39 1 40 41 1', 'C30H37NO7', 523.347, 'C', 'np99_76_4b', 128, '', '', '1', 36, NULL, NULL),
(8337, '', '5-O-acetyl-3-O-butanoyl-12-hydroxylathyrol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@:9]23[CH2:8][CH2:7][C:6](=[CH2:17])[C@H:5](O[C:5001]([CH3:5002])=O)[C@@:4]1([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH2:3003][CH3:3004])[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C:13]([CH3:20])=[C:12](O)[C@@:11]2([H])[C@@:10]3([CH3:18])[CH3:19]', '[H][C@]23CCC(=C)[C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(O)C(=O)C(C)=C(O)[C@@]2([H])[C@@]3(C)C', '[H][C@:36]23[CH2:22][CH2:35][C:150](=[CH2:115])[C@H:68](O[C:170]([CH3:21])=O)[C@@:53]1([H])[C@@H:80](O[C:174](=O)[CH2:36][CH2:18][CH3:13])[C@@H:38]([CH3:14])[CH2:50][C@:88]1(O)[C:202](=O)[C:134]([CH3:12])=[C:152](O)[C@@:28]2([H])[C@@:25]3([CH3:28])[CH3:16]', '36 38 H 20.38 -7.88 H 14.57 -11.22 H 17.72 -6.60 C:17 16.47 -8.73 C:3004 10.62 -16.95 C:5002 15.32 -14.36 C:20 15.92 -5.81 C:16 10.43 -11.28 C:18 18.99 -5.37 C:19 20.72 -6.38 O 13.81 -12.64 O 10.61 -12.76 O 13.27 -6.49 O 17.39 -9.29 O 12.65 -7.83 C:3003 10.62 -15.55 C:3002 11.83 -14.85 C:7 18.08 -10.48 C:8 19.40 -9.72 C:1 11.98 -9.17 O 15.95 -12.02 O 13.05 -12.76 C:5001 14.96 -13.01 C:6 16.78 -9.93 C:3001 11.83 -13.45 C:13 15.59 -7.29 C:14 14.14 -7.61 C:12 16.78 -8.03 C:2 11.72 -10.66 C:5 15.59 -10.66 C:3 13.05 -11.36 C:10 19.37 -6.76 C:9 19.40 -8.23 C:4 14.14 -10.32 C:11 18.08 -7.48 C:15 13.50 -8.97 33 1 -2 34 2 -2 35 3 -2 4 24 2 5 16 1 6 23 1 7 26 1 29 8 -1 32 9 -2 32 10 -1 11 23 2 12 25 2 13 27 2 14 28 1 36 15 -1 16 17 1 17 25 1 18 19 1 18 24 1 19 33 1 20 29 1 20 36 1 21 23 1 30 21 -2 22 25 1 31 22 -1 24 30 1 26 27 1 26 28 2 27 36 1 28 35 1 29 31 1 30 34 1 31 34 1 32 33 1 32 35 1 33 35 1 34 36 1', '36 38 H 20.38 -7.88 H 14.57 -11.22 H 17.72 -6.60 C 16.47 -8.73 C 10.62 -16.95 C 15.32 -14.36 C 15.92 -5.81 C 10.43 -11.28 C 18.99 -5.37 C 20.72 -6.38 O 13.81 -12.64 O 10.61 -12.76 O 13.27 -6.49 O 17.39 -9.29 O 12.65 -7.83 C 10.62 -15.55 C 11.83 -14.85 C 18.08 -10.48 C 19.40 -9.72 C 11.98 -9.17 O 15.95 -12.02 O 13.05 -12.76 C 14.96 -13.01 C 16.78 -9.93 C 11.83 -13.45 C 15.59 -7.29 C 14.14 -7.61 C 16.78 -8.03 C 11.72 -10.66 C 15.59 -10.66 C 13.05 -11.36 C 19.37 -6.76 C 19.40 -8.23 C 14.14 -10.32 C 18.08 -7.48 C 13.50 -8.97 33 1 -2 34 2 -2 35 3 -2 4 24 2 5 16 1 6 23 1 7 26 1 29 8 -1 32 9 -2 32 10 -1 11 23 2 12 25 2 13 27 2 14 28 1 36 15 -1 16 17 1 17 25 1 18 19 1 18 24 1 19 33 1 20 29 1 20 36 1 21 23 1 30 21 -2 22 25 1 31 22 -1 24 30 1 26 27 1 26 28 2 27 36 1 28 35 1 29 31 1 30 34 1 31 34 1 32 33 1 32 35 1 33 35 1 34 36 1', '36 38 H 20.38 -7.88 H 14.57 -11.22 H 17.72 -6.60 C:115 16.47 -8.73 C:13 10.62 -16.95 C:21 15.32 -14.36 C:12 15.92 -5.81 C:14 10.43 -11.28 C:28 18.99 -5.37 C:16 20.72 -6.38 O 13.81 -12.64 O 10.61 -12.76 O 13.27 -6.49 O 17.39 -9.29 O 12.65 -7.83 C:18 10.62 -15.55 C:36 11.83 -14.85 C:35 18.08 -10.48 C:22 19.40 -9.72 C:50 11.98 -9.17 O 15.95 -12.02 O 13.05 -12.76 C:170 14.96 -13.01 C:150 16.78 -9.93 C:174 11.83 -13.45 C:134 15.59 -7.29 C:202 14.14 -7.61 C:152 16.78 -8.03 C:38 11.72 -10.66 C:68 15.59 -10.66 C:80 13.05 -11.36 C:25 19.37 -6.76 C:36 19.40 -8.23 C:53 14.14 -10.32 C:28 18.08 -7.48 C:88 13.50 -8.97 33 1 -2 34 2 -2 35 3 -2 4 24 2 5 16 1 6 23 1 7 26 1 29 8 -1 32 9 -2 32 10 -1 11 23 2 12 25 2 13 27 2 14 28 1 36 15 -1 16 17 1 17 25 1 18 19 1 18 24 1 19 33 1 20 29 1 20 36 1 21 23 1 30 21 -2 22 25 1 31 22 -1 24 30 1 26 27 1 26 28 2 27 36 1 28 35 1 29 31 1 30 34 1 31 34 1 32 33 1 32 35 1 33 35 1 34 36 1', 'C26H38O7', 462.298, 'P', 'np99_176_1', 128, '', '', '1', 36, NULL, NULL),
(8338, 'Premyrsinol-3-propanoate-5-isobutyrate-7,13,17-triacetate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]34[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]2([CH2:17]O[C:17001]([CH3:17002])=O)[C@H:5](O[C:5001](=O)[CH:5002]([CH3:5201])[CH3:5003])[C@@:4]1([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH3:3003])[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]2([H])[C@@:11]3([H])[C@:10]4([CH3:19])[CH3:18]', '[H][C@]34C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)C(C)C)[C@@]1([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)C(=O)[C@@](C)(OC(C)=O)[C@]2([H])[C@@]3([H])[C@]4(C)C', '[H][C@:19]34[CH2:22][C@@H:71](O[C:170]([CH3:21])=O)[C@@:47]2([CH2:63]O[C:170]([CH3:21])=O)[C@H:69](O[C:175](=O)[CH:34]([CH3:19])[CH3:19])[C@@:50]1([H])[C@@H:78](O[C:174](=O)[CH2:28][CH3:9])[C@@H:37]([CH3:14])[CH2:43][C@:84]1(O)[C:204](=O)[C@@:86]([CH3:25])(O[C:171]([CH3:21])=O)[C@:35]2([H])[C@@:24]3([H])[C@:18]4([CH3:15])[CH3:29]', '49 52 H 19.76 -9.02 H 14.04 -12.34 H 17.15 -7.57 H 16.21 -8.26 C:3003 10.18 -16.79 C:17002 18.59 -15.11 C:7002 21.18 -12.39 C:13002 12.74 -5.48 C:5201 14.14 -16.79 C:5003 16.31 -15.63 C:16 9.93 -12.40 C:19 20.10 -7.55 C:18 18.37 -6.57 C:20 15.37 -6.99 O 16.21 -15.00 O 19.93 -10.33 O 15.16 -5.48 O 10.12 -14.01 O 13.18 -14.35 O 12.60 -7.79 O 12.36 -8.84 C:3002 11.39 -16.09 C:17 16.21 -12.26 C:8 18.79 -10.85 C:1 11.50 -10.31 O 17.44 -12.94 O 18.69 -12.33 O 12.55 -13.86 O 15.05 -13.18 O 13.96 -7.58 C:17001 17.44 -14.33 C:7001 19.95 -11.73 C:13001 13.95 -6.18 C:3001 11.39 -14.67 C:5001 14.28 -14.35 C:14 13.60 -8.76 C:5002 14.91 -15.61 C:2 11.23 -11.79 C:7 17.49 -11.61 C:3 12.56 -12.48 C:5 15.05 -11.79 C:10 18.79 -7.91 C:9 18.79 -9.36 C:13 15.05 -8.44 C:4 13.60 -11.45 C:11 17.49 -8.63 C:12 16.21 -9.36 C:15 12.97 -10.11 C:6 16.21 -10.85 43 1 -2 45 2 -2 46 3 -2 47 4 -1 5 22 1 6 31 1 7 32 1 8 33 1 9 37 1 10 37 1 38 11 -1 42 12 -1 42 13 -2 44 14 -2 15 31 2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 48 21 -1 22 34 1 23 26 1 49 23 -2 24 39 1 24 43 1 25 38 1 25 48 1 26 31 1 27 32 1 39 27 -1 28 34 1 40 28 -1 29 35 1 41 29 -2 30 33 1 44 30 -1 35 37 1 36 44 1 36 48 1 38 40 1 39 49 1 40 45 1 41 45 1 41 49 1 42 43 1 42 46 1 43 46 1 44 47 1 45 48 1 46 47 1 47 49 1', '49 52 H 19.76 -9.02 H 14.04 -12.34 H 17.15 -7.57 H 16.21 -8.26 C 10.18 -16.79 C 18.59 -15.11 C 21.18 -12.39 C 12.74 -5.48 C 14.14 -16.79 C 16.31 -15.63 C 9.93 -12.40 C 20.10 -7.55 C 18.37 -6.57 C 15.37 -6.99 O 16.21 -15.00 O 19.93 -10.33 O 15.16 -5.48 O 10.12 -14.01 O 13.18 -14.35 O 12.60 -7.79 O 12.36 -8.84 C 11.39 -16.09 C 16.21 -12.26 C 18.79 -10.85 C 11.50 -10.31 O 17.44 -12.94 O 18.69 -12.33 O 12.55 -13.86 O 15.05 -13.18 O 13.96 -7.58 C 17.44 -14.33 C 19.95 -11.73 C 13.95 -6.18 C 11.39 -14.67 C 14.28 -14.35 C 13.60 -8.76 C 14.91 -15.61 C 11.23 -11.79 C 17.49 -11.61 C 12.56 -12.48 C 15.05 -11.79 C 18.79 -7.91 C 18.79 -9.36 C 15.05 -8.44 C 13.60 -11.45 C 17.49 -8.63 C 16.21 -9.36 C 12.97 -10.11 C 16.21 -10.85 43 1 -2 45 2 -2 46 3 -2 47 4 -1 5 22 1 6 31 1 7 32 1 8 33 1 9 37 1 10 37 1 38 11 -1 42 12 -1 42 13 -2 44 14 -2 15 31 2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 48 21 -1 22 34 1 23 26 1 49 23 -2 24 39 1 24 43 1 25 38 1 25 48 1 26 31 1 27 32 1 39 27 -1 28 34 1 40 28 -1 29 35 1 41 29 -2 30 33 1 44 30 -1 35 37 1 36 44 1 36 48 1 38 40 1 39 49 1 40 45 1 41 45 1 41 49 1 42 43 1 42 46 1 43 46 1 44 47 1 45 48 1 46 47 1 47 49 1', '49 52 H 19.76 -9.02 H 14.04 -12.34 H 17.15 -7.57 H 16.21 -8.26 C:9 10.18 -16.79 C:21 18.59 -15.11 C:21 21.18 -12.39 C:21 12.74 -5.48 C:19 14.14 -16.79 C:19 16.31 -15.63 C:14 9.93 -12.40 C:15 20.10 -7.55 C:29 18.37 -6.57 C:25 15.37 -6.99 O 16.21 -15.00 O 19.93 -10.33 O 15.16 -5.48 O 10.12 -14.01 O 13.18 -14.35 O 12.60 -7.79 O 12.36 -8.84 C:28 11.39 -16.09 C:63 16.21 -12.26 C:22 18.79 -10.85 C:43 11.50 -10.31 O 17.44 -12.94 O 18.69 -12.33 O 12.55 -13.86 O 15.05 -13.18 O 13.96 -7.58 C:170 17.44 -14.33 C:170 19.95 -11.73 C:171 13.95 -6.18 C:174 11.39 -14.67 C:175 14.28 -14.35 C:204 13.60 -8.76 C:34 14.91 -15.61 C:37 11.23 -11.79 C:71 17.49 -11.61 C:78 12.56 -12.48 C:69 15.05 -11.79 C:18 18.79 -7.91 C:19 18.79 -9.36 C:86 15.05 -8.44 C:50 13.60 -11.45 C:24 17.49 -8.63 C:35 16.21 -9.36 C:84 12.97 -10.11 C:47 16.21 -10.85 43 1 -2 45 2 -2 46 3 -2 47 4 -1 5 22 1 6 31 1 7 32 1 8 33 1 9 37 1 10 37 1 38 11 -1 42 12 -1 42 13 -2 44 14 -2 15 31 2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 48 21 -1 22 34 1 23 26 1 49 23 -2 24 39 1 24 43 1 25 38 1 25 48 1 26 31 1 27 32 1 39 27 -1 28 34 1 40 28 -1 29 35 1 41 29 -2 30 33 1 44 30 -1 35 37 1 36 44 1 36 48 1 38 40 1 39 49 1 40 45 1 41 45 1 41 49 1 42 43 1 42 46 1 43 46 1 44 47 1 45 48 1 46 47 1 47 49 1', 'C33H48O12', 636.378, 'C', 'np99_1399_4a', 122, '', '', '1', 36, NULL, NULL),
(8339, 'Premyrsinol-3-propanoate-5-isobutyrate-7,13-diacetate-17-nicotinate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]45[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]3([CH2:17]O[C:17001](=O)[c:17002]1[cH:17006][cH:17005][cH:17004]n[cH:17003]1)[C@H:5](O[C:5001](=O)[CH:5002]([CH3:5003])[CH3:5201])[C@@:4]2([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH3:3003])[C@@H:2]([CH3:16])[CH2:1][C@:15]2(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]3([H])[C@@:11]4([H])[C@@:10]5([CH3:18])[CH3:19]', '[H][C@]45C[C@@H](OC(C)=O)[C@@]3(COC(=O)c1cccnc1)[C@H](OC(=O)C(C)C)[C@@]2([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]2(O)C(=O)[C@@](C)(OC(C)=O)[C@]3([H])[C@@]4([H])[C@@]5(C)C', '[H][C@:19]45[CH2:22][C@@H:71](O[C:170]([CH3:21])=O)[C@@:48]3([CH2:64]O[C:165](=O)[c:126]1[cH:124][cH:137][cH:151]n[cH:154]1)[C@H:69](O[C:175](=O)[CH:34]([CH3:18])[CH3:18])[C@@:51]2([H])[C@@H:78](O[C:174](=O)[CH2:28][CH3:9])[C@@H:37]([CH3:14])[CH2:43][C@:84]2(O)[C:204](=O)[C@@:86]([CH3:25])(O[C:171]([CH3:21])=O)[C@:35]3([H])[C@@:24]4([H])[C@@:18]5([CH3:29])[CH3:15]', '54 58 H 19.76 -8.80 H 14.04 -12.12 H 17.15 -7.35 H 16.21 -8.04 C:3003 10.18 -16.57 C:7002 21.18 -12.17 C:13002 12.74 -5.26 C:5003 16.31 -15.41 C:5201 14.14 -16.57 C:16 9.93 -12.18 C:18 18.37 -6.35 C:19 20.10 -7.33 C:20 15.37 -6.77 O 19.93 -10.11 O 15.16 -5.26 O 10.12 -13.79 O 16.21 -14.78 O 13.18 -14.13 O 12.60 -7.57 O 12.36 -8.62 C:17005 19.80 -16.99 C:17004 21.02 -16.29 C:17006 18.59 -16.29 C:17003 19.81 -14.19 C:3002 11.39 -15.87 C:17 16.21 -12.04 C:8 18.79 -10.63 C:1 11.50 -10.09 N 21.02 -14.89 O 17.44 -12.72 O 18.69 -12.11 O 12.55 -13.64 O 15.05 -12.96 O 13.96 -7.36 C:7001 19.95 -11.51 C:13001 13.95 -5.96 C:3001 11.39 -14.45 C:17001 17.44 -14.11 C:5001 14.28 -14.13 C:14 13.60 -8.54 C:17002 18.59 -14.89 C:5002 14.91 -15.39 C:2 11.23 -11.57 C:7 17.49 -11.39 C:3 12.56 -12.26 C:5 15.05 -11.57 C:10 18.79 -7.69 C:9 18.79 -9.14 C:13 15.05 -8.22 C:4 13.60 -11.23 C:15 12.97 -9.89 C:11 17.49 -8.41 C:12 16.21 -9.14 C:6 16.21 -10.63 48 1 -2 50 2 -2 52 3 -2 53 4 -1 5 25 1 6 35 1 7 36 1 8 42 1 9 42 1 43 10 -1 47 11 -2 47 12 -1 49 13 -2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 51 20 -1 21 22 1 21 23 2 22 29 2 23 41 1 24 29 1 24 41 2 25 37 1 26 30 1 54 26 -2 27 44 1 27 48 1 28 43 1 28 51 1 30 38 1 31 35 1 44 31 -1 32 37 1 45 32 -1 33 39 1 46 33 -2 34 36 1 49 34 -1 38 41 1 39 42 1 40 49 1 40 51 1 43 45 1 44 54 1 45 50 1 46 50 1 46 54 1 47 48 1 47 52 1 48 52 1 49 53 1 50 51 1 52 53 1 53 54 1', '54 58 H 19.76 -8.80 H 14.04 -12.12 H 17.15 -7.35 H 16.21 -8.04 C 10.18 -16.57 C 21.18 -12.17 C 12.74 -5.26 C 16.31 -15.41 C 14.14 -16.57 C 9.93 -12.18 C 18.37 -6.35 C 20.10 -7.33 C 15.37 -6.77 O 19.93 -10.11 O 15.16 -5.26 O 10.12 -13.79 O 16.21 -14.78 O 13.18 -14.13 O 12.60 -7.57 O 12.36 -8.62 C 19.80 -16.99 C 21.02 -16.29 C 18.59 -16.29 C 19.81 -14.19 C 11.39 -15.87 C 16.21 -12.04 C 18.79 -10.63 C 11.50 -10.09 N 21.02 -14.89 O 17.44 -12.72 O 18.69 -12.11 O 12.55 -13.64 O 15.05 -12.96 O 13.96 -7.36 C 19.95 -11.51 C 13.95 -5.96 C 11.39 -14.45 C 17.44 -14.11 C 14.28 -14.13 C 13.60 -8.54 C 18.59 -14.89 C 14.91 -15.39 C 11.23 -11.57 C 17.49 -11.39 C 12.56 -12.26 C 15.05 -11.57 C 18.79 -7.69 C 18.79 -9.14 C 15.05 -8.22 C 13.60 -11.23 C 12.97 -9.89 C 17.49 -8.41 C 16.21 -9.14 C 16.21 -10.63 48 1 -2 50 2 -2 52 3 -2 53 4 -1 5 25 1 6 35 1 7 36 1 8 42 1 9 42 1 43 10 -1 47 11 -2 47 12 -1 49 13 -2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 51 20 -1 21 22 1 21 23 2 22 29 2 23 41 1 24 29 1 24 41 2 25 37 1 26 30 1 54 26 -2 27 44 1 27 48 1 28 43 1 28 51 1 30 38 1 31 35 1 44 31 -1 32 37 1 45 32 -1 33 39 1 46 33 -2 34 36 1 49 34 -1 38 41 1 39 42 1 40 49 1 40 51 1 43 45 1 44 54 1 45 50 1 46 50 1 46 54 1 47 48 1 47 52 1 48 52 1 49 53 1 50 51 1 52 53 1 53 54 1', '54 58 H 19.76 -8.80 H 14.04 -12.12 H 17.15 -7.35 H 16.21 -8.04 C:9 10.18 -16.57 C:21 21.18 -12.17 C:21 12.74 -5.26 C:18 16.31 -15.41 C:18 14.14 -16.57 C:14 9.93 -12.18 C:29 18.37 -6.35 C:15 20.10 -7.33 C:25 15.37 -6.77 O 19.93 -10.11 O 15.16 -5.26 O 10.12 -13.79 O 16.21 -14.78 O 13.18 -14.13 O 12.60 -7.57 O 12.36 -8.62 C:137 19.80 -16.99 C:151 21.02 -16.29 C:124 18.59 -16.29 C:154 19.81 -14.19 C:28 11.39 -15.87 C:64 16.21 -12.04 C:22 18.79 -10.63 C:43 11.50 -10.09 N 21.02 -14.89 O 17.44 -12.72 O 18.69 -12.11 O 12.55 -13.64 O 15.05 -12.96 O 13.96 -7.36 C:170 19.95 -11.51 C:171 13.95 -5.96 C:174 11.39 -14.45 C:165 17.44 -14.11 C:175 14.28 -14.13 C:204 13.60 -8.54 C:126 18.59 -14.89 C:34 14.91 -15.39 C:37 11.23 -11.57 C:71 17.49 -11.39 C:78 12.56 -12.26 C:69 15.05 -11.57 C:18 18.79 -7.69 C:19 18.79 -9.14 C:86 15.05 -8.22 C:51 13.60 -11.23 C:84 12.97 -9.89 C:24 17.49 -8.41 C:35 16.21 -9.14 C:48 16.21 -10.63 48 1 -2 50 2 -2 52 3 -2 53 4 -1 5 25 1 6 35 1 7 36 1 8 42 1 9 42 1 43 10 -1 47 11 -2 47 12 -1 49 13 -2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 51 20 -1 21 22 1 21 23 2 22 29 2 23 41 1 24 29 1 24 41 2 25 37 1 26 30 1 54 26 -2 27 44 1 27 48 1 28 43 1 28 51 1 30 38 1 31 35 1 44 31 -1 32 37 1 45 32 -1 33 39 1 46 33 -2 34 36 1 49 34 -1 38 41 1 39 42 1 40 49 1 40 51 1 43 45 1 44 54 1 45 50 1 46 50 1 46 54 1 47 48 1 47 52 1 48 52 1 49 53 1 50 51 1 52 53 1 53 54 1', 'C37H49NO12', 699.427, 'C', 'np99_1399_4b', 122, '', '', '1', 36, NULL, NULL),
(8340, 'Premyrsinol-3-propanoate-5(R-methyl)butyrate-7,13-diacetate-17-isobutyrate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]34[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]2([CH2:17]O[C:17001](=O)[CH:17002]([CH3:17003])[CH3:17201])[C@H:5](O[C:5001](=O)[CH2:5002][CH:5003]([CH3:5301])[CH3:5004])[C@@:4]1([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH3:3003])[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]2([H])[C@@:11]3([H])[C@:10]4([CH3:19])[CH3:18]', '[H][C@]34C[C@@H](OC(C)=O)[C@@]2(COC(=O)C(C)C)[C@H](OC(=O)CC(C)C)[C@@]1([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)C(=O)[C@@](C)(OC(C)=O)[C@]2([H])[C@@]3([H])[C@]4(C)C', '[H][C@:19]34[CH2:22][C@@H:71](O[C:170]([CH3:21])=O)[C@@:47]2([CH2:64]O[C:175](=O)[CH:34]([CH3:19])[CH3:19])[C@H:69](O[C:176](=O)[CH2:41][CH:27]([CH3:19])[CH3:12])[C@@:51]1([H])[C@@H:78](O[C:174](=O)[CH2:28][CH3:9])[C@@H:37]([CH3:14])[CH2:43][C@:84]1(O)[C:205](=O)[C@@:86]([CH3:24])(O[C:171]([CH3:21])=O)[C@:35]2([H])[C@@:24]3([H])[C@:18]4([CH3:15])[CH3:30]', '52 55 H 19.75 -8.40 H 14.04 -11.73 H 17.14 -6.95 H 16.21 -7.64 C:3003 10.18 -16.18 C:7002 21.17 -11.78 C:13002 12.74 -4.86 C:5301 12.74 -16.18 C:5004 14.77 -17.42 C:17003 19.80 -13.80 C:17201 18.58 -15.90 C:16 9.93 -11.79 C:19 20.09 -6.93 C:18 18.36 -5.95 C:20 15.37 -6.37 O 19.92 -9.72 O 15.16 -4.86 O 10.12 -13.40 O 13.18 -13.74 O 16.21 -14.39 O 12.60 -7.17 O 12.36 -8.22 C:3002 11.39 -15.48 C:17 16.21 -11.65 C:5002 14.91 -15.00 C:8 18.78 -10.24 C:1 11.50 -9.70 O 17.43 -12.33 O 18.68 -11.72 O 12.55 -13.25 O 15.05 -12.57 O 13.96 -6.96 C:7001 19.94 -11.12 C:13001 13.95 -5.56 C:3001 11.39 -14.06 C:5001 14.28 -13.74 C:17001 17.43 -13.72 C:14 13.60 -8.14 C:5003 14.14 -16.18 C:17002 18.58 -14.50 C:2 11.23 -11.18 C:7 17.48 -11.00 C:3 12.56 -11.87 C:5 15.05 -11.18 C:10 18.78 -7.29 C:9 18.78 -8.74 C:13 15.05 -7.82 C:4 13.60 -10.84 C:11 17.48 -8.01 C:12 16.21 -8.74 C:15 12.97 -9.49 C:6 16.21 -10.24 46 1 -2 48 2 -2 49 3 -2 50 4 -1 5 23 1 6 33 1 7 34 1 8 39 1 9 39 1 10 40 1 11 40 1 41 12 -1 45 13 -1 45 14 -2 47 15 -2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 21 38 2 51 22 -1 23 35 1 24 28 1 52 24 -2 25 36 1 25 39 1 26 42 1 26 46 1 27 41 1 27 51 1 28 37 1 29 33 1 42 29 -1 30 35 1 43 30 -1 31 36 1 44 31 -2 32 34 1 47 32 -1 37 40 1 38 47 1 38 51 1 41 43 1 42 52 1 43 48 1 44 48 1 44 52 1 45 46 1 45 49 1 46 49 1 47 50 1 48 51 1 49 50 1 50 52 1', '52 55 H 19.75 -8.40 H 14.04 -11.73 H 17.14 -6.95 H 16.21 -7.64 C 10.18 -16.18 C 21.17 -11.78 C 12.74 -4.86 C 12.74 -16.18 C 14.77 -17.42 C 19.80 -13.80 C 18.58 -15.90 C 9.93 -11.79 C 20.09 -6.93 C 18.36 -5.95 C 15.37 -6.37 O 19.92 -9.72 O 15.16 -4.86 O 10.12 -13.40 O 13.18 -13.74 O 16.21 -14.39 O 12.60 -7.17 O 12.36 -8.22 C 11.39 -15.48 C 16.21 -11.65 C 14.91 -15.00 C 18.78 -10.24 C 11.50 -9.70 O 17.43 -12.33 O 18.68 -11.72 O 12.55 -13.25 O 15.05 -12.57 O 13.96 -6.96 C 19.94 -11.12 C 13.95 -5.56 C 11.39 -14.06 C 14.28 -13.74 C 17.43 -13.72 C 13.60 -8.14 C 14.14 -16.18 C 18.58 -14.50 C 11.23 -11.18 C 17.48 -11.00 C 12.56 -11.87 C 15.05 -11.18 C 18.78 -7.29 C 18.78 -8.74 C 15.05 -7.82 C 13.60 -10.84 C 17.48 -8.01 C 16.21 -8.74 C 12.97 -9.49 C 16.21 -10.24 46 1 -2 48 2 -2 49 3 -2 50 4 -1 5 23 1 6 33 1 7 34 1 8 39 1 9 39 1 10 40 1 11 40 1 41 12 -1 45 13 -1 45 14 -2 47 15 -2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 21 38 2 51 22 -1 23 35 1 24 28 1 52 24 -2 25 36 1 25 39 1 26 42 1 26 46 1 27 41 1 27 51 1 28 37 1 29 33 1 42 29 -1 30 35 1 43 30 -1 31 36 1 44 31 -2 32 34 1 47 32 -1 37 40 1 38 47 1 38 51 1 41 43 1 42 52 1 43 48 1 44 48 1 44 52 1 45 46 1 45 49 1 46 49 1 47 50 1 48 51 1 49 50 1 50 52 1', '52 55 H 19.75 -8.40 H 14.04 -11.73 H 17.14 -6.95 H 16.21 -7.64 C:9 10.18 -16.18 C:21 21.17 -11.78 C:21 12.74 -4.86 C:19 12.74 -16.18 C:12 14.77 -17.42 C:19 19.80 -13.80 C:19 18.58 -15.90 C:14 9.93 -11.79 C:15 20.09 -6.93 C:30 18.36 -5.95 C:24 15.37 -6.37 O 19.92 -9.72 O 15.16 -4.86 O 10.12 -13.40 O 13.18 -13.74 O 16.21 -14.39 O 12.60 -7.17 O 12.36 -8.22 C:28 11.39 -15.48 C:64 16.21 -11.65 C:41 14.91 -15.00 C:22 18.78 -10.24 C:43 11.50 -9.70 O 17.43 -12.33 O 18.68 -11.72 O 12.55 -13.25 O 15.05 -12.57 O 13.96 -6.96 C:170 19.94 -11.12 C:171 13.95 -5.56 C:174 11.39 -14.06 C:176 14.28 -13.74 C:175 17.43 -13.72 C:205 13.60 -8.14 C:27 14.14 -16.18 C:34 18.58 -14.50 C:37 11.23 -11.18 C:71 17.48 -11.00 C:78 12.56 -11.87 C:69 15.05 -11.18 C:18 18.78 -7.29 C:19 18.78 -8.74 C:86 15.05 -7.82 C:51 13.60 -10.84 C:24 17.48 -8.01 C:35 16.21 -8.74 C:84 12.97 -9.49 C:47 16.21 -10.24 46 1 -2 48 2 -2 49 3 -2 50 4 -1 5 23 1 6 33 1 7 34 1 8 39 1 9 39 1 10 40 1 11 40 1 41 12 -1 45 13 -1 45 14 -2 47 15 -2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 21 38 2 51 22 -1 23 35 1 24 28 1 52 24 -2 25 36 1 25 39 1 26 42 1 26 46 1 27 41 1 27 51 1 28 37 1 29 33 1 42 29 -1 30 35 1 43 30 -1 31 36 1 44 31 -2 32 34 1 47 32 -1 37 40 1 38 47 1 38 51 1 41 43 1 42 52 1 43 48 1 44 48 1 44 52 1 45 46 1 45 49 1 46 49 1 47 50 1 48 51 1 49 50 1 50 52 1', 'C36H54O12', 678.41, 'C', 'np99_1399_4c', 122, '', '', '1', 36, NULL, NULL),
(8341, 'Premyrsinol-3-propanoate-5,17-diisobutyrate-7,13-diacetate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]34[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]2([CH2:17]O[C:17001](=O)[CH:17002]([CH3:17003])[CH3:17201])[C@H:5](O[C:5001](=O)[CH:5002]([CH3:5201])[CH3:5003])[C@@:4]1([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH3:3003])[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]2([H])[C@@:11]3([H])[C@:10]4([CH3:19])[CH3:18]', '[H][C@]34C[C@@H](OC(C)=O)[C@@]2(COC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@]1([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)C(=O)[C@@](C)(OC(C)=O)[C@]2([H])[C@@]3([H])[C@]4(C)C', '[H][C@:19]34[CH2:22][C@@H:71](O[C:170]([CH3:21])=O)[C@@:47]2([CH2:64]O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C@H:69](O[C:175](=O)[CH:34]([CH3:19])[CH3:19])[C@@:50]1([H])[C@@H:78](O[C:174](=O)[CH2:28][CH3:9])[C@@H:37]([CH3:14])[CH2:43][C@:84]1(O)[C:204](=O)[C@@:86]([CH3:25])(O[C:171]([CH3:21])=O)[C@:35]2([H])[C@@:24]3([H])[C@:18]4([CH3:15])[CH3:29]', '51 54 H 19.76 -9.02 H 14.04 -12.35 H 17.15 -7.57 H 16.21 -8.26 C:3003 10.18 -16.80 C:7002 21.18 -12.40 C:13002 12.74 -5.48 C:17003 19.81 -14.42 C:17201 18.59 -16.52 C:5201 14.14 -16.80 C:5003 16.31 -15.64 C:16 9.93 -12.41 C:19 20.10 -7.55 C:18 18.37 -6.57 C:20 15.37 -6.99 O 19.93 -10.33 O 15.16 -5.48 O 10.12 -14.02 O 16.21 -15.01 O 13.18 -14.36 O 12.60 -7.79 O 12.36 -8.84 C:3002 11.39 -16.10 C:17 16.21 -12.27 C:8 18.79 -10.85 C:1 11.50 -10.31 O 17.44 -12.95 O 18.69 -12.34 O 12.55 -13.87 O 15.05 -13.19 O 13.96 -7.58 C:7001 19.95 -11.74 C:13001 13.95 -6.18 C:3001 11.39 -14.68 C:17001 17.44 -14.34 C:5001 14.28 -14.36 C:14 13.60 -8.76 C:17002 18.59 -15.12 C:5002 14.91 -15.62 C:2 11.23 -11.80 C:7 17.49 -11.62 C:3 12.56 -12.49 C:5 15.05 -11.80 C:10 18.79 -7.91 C:9 18.79 -9.36 C:13 15.05 -8.44 C:4 13.60 -11.46 C:11 17.49 -8.63 C:12 16.21 -9.36 C:15 12.97 -10.11 C:6 16.21 -10.85 45 1 -2 47 2 -2 48 3 -2 49 4 -1 5 23 1 6 32 1 7 33 1 8 38 1 9 38 1 10 39 1 11 39 1 40 12 -1 44 13 -1 44 14 -2 46 15 -2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 21 37 2 50 22 -1 23 34 1 24 27 1 51 24 -2 25 41 1 25 45 1 26 40 1 26 50 1 27 35 1 28 32 1 41 28 -1 29 34 1 42 29 -1 30 36 1 43 30 -2 31 33 1 46 31 -1 35 38 1 36 39 1 37 46 1 37 50 1 40 42 1 41 51 1 42 47 1 43 47 1 43 51 1 44 45 1 44 48 1 45 48 1 46 49 1 47 50 1 48 49 1 49 51 1', '51 54 H 19.76 -9.02 H 14.04 -12.35 H 17.15 -7.57 H 16.21 -8.26 C 10.18 -16.80 C 21.18 -12.40 C 12.74 -5.48 C 19.81 -14.42 C 18.59 -16.52 C 14.14 -16.80 C 16.31 -15.64 C 9.93 -12.41 C 20.10 -7.55 C 18.37 -6.57 C 15.37 -6.99 O 19.93 -10.33 O 15.16 -5.48 O 10.12 -14.02 O 16.21 -15.01 O 13.18 -14.36 O 12.60 -7.79 O 12.36 -8.84 C 11.39 -16.10 C 16.21 -12.27 C 18.79 -10.85 C 11.50 -10.31 O 17.44 -12.95 O 18.69 -12.34 O 12.55 -13.87 O 15.05 -13.19 O 13.96 -7.58 C 19.95 -11.74 C 13.95 -6.18 C 11.39 -14.68 C 17.44 -14.34 C 14.28 -14.36 C 13.60 -8.76 C 18.59 -15.12 C 14.91 -15.62 C 11.23 -11.80 C 17.49 -11.62 C 12.56 -12.49 C 15.05 -11.80 C 18.79 -7.91 C 18.79 -9.36 C 15.05 -8.44 C 13.60 -11.46 C 17.49 -8.63 C 16.21 -9.36 C 12.97 -10.11 C 16.21 -10.85 45 1 -2 47 2 -2 48 3 -2 49 4 -1 5 23 1 6 32 1 7 33 1 8 38 1 9 38 1 10 39 1 11 39 1 40 12 -1 44 13 -1 44 14 -2 46 15 -2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 21 37 2 50 22 -1 23 34 1 24 27 1 51 24 -2 25 41 1 25 45 1 26 40 1 26 50 1 27 35 1 28 32 1 41 28 -1 29 34 1 42 29 -1 30 36 1 43 30 -2 31 33 1 46 31 -1 35 38 1 36 39 1 37 46 1 37 50 1 40 42 1 41 51 1 42 47 1 43 47 1 43 51 1 44 45 1 44 48 1 45 48 1 46 49 1 47 50 1 48 49 1 49 51 1', '51 54 H 19.76 -9.02 H 14.04 -12.35 H 17.15 -7.57 H 16.21 -8.26 C:9 10.18 -16.80 C:21 21.18 -12.40 C:21 12.74 -5.48 C:19 19.81 -14.42 C:19 18.59 -16.52 C:19 14.14 -16.80 C:19 16.31 -15.64 C:14 9.93 -12.41 C:15 20.10 -7.55 C:29 18.37 -6.57 C:25 15.37 -6.99 O 19.93 -10.33 O 15.16 -5.48 O 10.12 -14.02 O 16.21 -15.01 O 13.18 -14.36 O 12.60 -7.79 O 12.36 -8.84 C:28 11.39 -16.10 C:64 16.21 -12.27 C:22 18.79 -10.85 C:43 11.50 -10.31 O 17.44 -12.95 O 18.69 -12.34 O 12.55 -13.87 O 15.05 -13.19 O 13.96 -7.58 C:170 19.95 -11.74 C:171 13.95 -6.18 C:174 11.39 -14.68 C:176 17.44 -14.34 C:175 14.28 -14.36 C:204 13.60 -8.76 C:34 18.59 -15.12 C:34 14.91 -15.62 C:37 11.23 -11.80 C:71 17.49 -11.62 C:78 12.56 -12.49 C:69 15.05 -11.80 C:18 18.79 -7.91 C:19 18.79 -9.36 C:86 15.05 -8.44 C:50 13.60 -11.46 C:24 17.49 -8.63 C:35 16.21 -9.36 C:84 12.97 -10.11 C:47 16.21 -10.85 45 1 -2 47 2 -2 48 3 -2 49 4 -1 5 23 1 6 32 1 7 33 1 8 38 1 9 38 1 10 39 1 11 39 1 40 12 -1 44 13 -1 44 14 -2 46 15 -2 16 32 2 17 33 2 18 34 2 19 35 2 20 36 2 21 37 2 50 22 -1 23 34 1 24 27 1 51 24 -2 25 41 1 25 45 1 26 40 1 26 50 1 27 35 1 28 32 1 41 28 -1 29 34 1 42 29 -1 30 36 1 43 30 -2 31 33 1 46 31 -1 35 38 1 36 39 1 37 46 1 37 50 1 40 42 1 41 51 1 42 47 1 43 47 1 43 51 1 44 45 1 44 48 1 45 48 1 46 49 1 47 50 1 48 49 1 49 51 1', 'C35H52O12', 664.399, 'C', 'np99_1399_4d', 122, '', '', '1', 36, NULL, NULL),
(8342, 'Premyrsinol-3,17-dipropanoate-5-isobutyrate-7,13-diacetate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]34[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]2([CH2:17]O[C:17001](=O)[CH2:17002][CH3:17003])[C@H:5](O[C:5001](=O)[CH:5002]([CH3:5003])[CH3:5201])[C@@:4]1([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH3:3003])[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]2([H])[C@@:11]3([H])[C@@:10]4([CH3:18])[CH3:19]', '[H][C@]34C[C@@H](OC(C)=O)[C@@]2(COC(=O)CC)[C@H](OC(=O)C(C)C)[C@@]1([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)C(=O)[C@@](C)(OC(C)=O)[C@]2([H])[C@@]3([H])[C@@]4(C)C', '[H][C@:19]34[CH2:22][C@@H:71](O[C:170]([CH3:21])=O)[C@@:47]2([CH2:63]O[C:174](=O)[CH2:28][CH3:9])[C@H:69](O[C:175](=O)[CH:34]([CH3:19])[CH3:19])[C@@:50]1([H])[C@@H:78](O[C:174](=O)[CH2:28][CH3:99])[C@@H:37]([CH3:14])[CH2:43][C@:84]1(O)[C:204](=O)[C@@:86]([CH3:24])(O[C:171]([CH3:21])=O)[C@:35]2([H])[C@@:24]3([H])[C@@:18]4([CH3:29])[CH3:15]', '50 53 H 19.75 -9.01 H 14.03 -12.34 H 17.14 -7.57 H 16.20 -8.26 C:17003 18.58 -16.51 C:3003 10.17 -16.79 C:7002 21.17 -12.39 C:13002 12.73 -5.48 C:5003 16.30 -15.63 C:5201 14.13 -16.79 C:16 9.92 -12.40 C:18 18.36 -6.57 C:19 20.09 -7.55 C:20 15.36 -6.99 O 19.92 -10.32 O 15.15 -5.48 O 16.20 -15.00 O 10.11 -14.01 O 13.17 -14.35 O 12.59 -7.79 O 12.35 -8.84 C:17002 18.58 -15.11 C:3002 11.38 -16.09 C:17 16.20 -12.26 C:8 18.78 -10.84 C:1 11.49 -10.30 O 17.43 -12.94 O 18.68 -12.33 O 12.54 -13.86 O 15.04 -13.18 O 13.95 -7.58 C:7001 19.94 -11.73 C:13001 13.94 -6.18 C:17001 17.43 -14.33 C:3001 11.38 -14.67 C:5001 14.27 -14.35 C:14 13.59 -8.76 C:5002 14.90 -15.61 C:2 11.22 -11.79 C:7 17.48 -11.61 C:3 12.55 -12.48 C:5 15.04 -11.79 C:10 18.78 -7.91 C:9 18.78 -9.35 C:13 15.04 -8.44 C:4 13.59 -11.45 C:11 17.48 -8.63 C:12 16.20 -9.35 C:15 12.96 -10.10 C:6 16.20 -10.84 44 1 -2 46 2 -2 47 3 -2 48 4 -1 5 22 1 6 23 1 7 32 1 8 33 1 9 38 1 10 38 1 39 11 -1 43 12 -2 43 13 -1 45 14 -2 15 32 2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 49 21 -1 22 34 1 23 35 1 24 27 1 50 24 -2 25 40 1 25 44 1 26 39 1 26 49 1 27 34 1 28 32 1 40 28 -1 29 35 1 41 29 -1 30 36 1 42 30 -2 31 33 1 45 31 -1 36 38 1 37 45 1 37 49 1 39 41 1 40 50 1 41 46 1 42 46 1 42 50 1 43 44 1 43 47 1 44 47 1 45 48 1 46 49 1 47 48 1 48 50 1', '50 53 H 19.75 -9.01 H 14.03 -12.34 H 17.14 -7.57 H 16.20 -8.26 C 18.58 -16.51 C 10.17 -16.79 C 21.17 -12.39 C 12.73 -5.48 C 16.30 -15.63 C 14.13 -16.79 C 9.92 -12.40 C 18.36 -6.57 C 20.09 -7.55 C 15.36 -6.99 O 19.92 -10.32 O 15.15 -5.48 O 16.20 -15.00 O 10.11 -14.01 O 13.17 -14.35 O 12.59 -7.79 O 12.35 -8.84 C 18.58 -15.11 C 11.38 -16.09 C 16.20 -12.26 C 18.78 -10.84 C 11.49 -10.30 O 17.43 -12.94 O 18.68 -12.33 O 12.54 -13.86 O 15.04 -13.18 O 13.95 -7.58 C 19.94 -11.73 C 13.94 -6.18 C 17.43 -14.33 C 11.38 -14.67 C 14.27 -14.35 C 13.59 -8.76 C 14.90 -15.61 C 11.22 -11.79 C 17.48 -11.61 C 12.55 -12.48 C 15.04 -11.79 C 18.78 -7.91 C 18.78 -9.35 C 15.04 -8.44 C 13.59 -11.45 C 17.48 -8.63 C 16.20 -9.35 C 12.96 -10.10 C 16.20 -10.84 44 1 -2 46 2 -2 47 3 -2 48 4 -1 5 22 1 6 23 1 7 32 1 8 33 1 9 38 1 10 38 1 39 11 -1 43 12 -2 43 13 -1 45 14 -2 15 32 2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 49 21 -1 22 34 1 23 35 1 24 27 1 50 24 -2 25 40 1 25 44 1 26 39 1 26 49 1 27 34 1 28 32 1 40 28 -1 29 35 1 41 29 -1 30 36 1 42 30 -2 31 33 1 45 31 -1 36 38 1 37 45 1 37 49 1 39 41 1 40 50 1 41 46 1 42 46 1 42 50 1 43 44 1 43 47 1 44 47 1 45 48 1 46 49 1 47 48 1 48 50 1', '50 53 H 19.75 -9.01 H 14.03 -12.34 H 17.14 -7.57 H 16.20 -8.26 C:9 18.58 -16.51 C:9 10.17 -16.79 C:21 21.17 -12.39 C:21 12.73 -5.48 C:19 16.30 -15.63 C:19 14.13 -16.79 C:14 9.92 -12.40 C:29 18.36 -6.57 C:15 20.09 -7.55 C:24 15.36 -6.99 O 19.92 -10.32 O 15.15 -5.48 O 16.20 -15.00 O 10.11 -14.01 O 13.17 -14.35 O 12.59 -7.79 O 12.35 -8.84 C:28 18.58 -15.11 C:28 11.38 -16.09 C:63 16.20 -12.26 C:22 18.78 -10.84 C:43 11.49 -10.30 O 17.43 -12.94 O 18.68 -12.33 O 12.54 -13.86 O 15.04 -13.18 O 13.95 -7.58 C:170 19.94 -11.73 C:171 13.94 -6.18 C:174 17.43 -14.33 C:174 11.38 -14.67 C:175 14.27 -14.35 C:204 13.59 -8.76 C:34 14.90 -15.61 C:37 11.22 -11.79 C:71 17.48 -11.61 C:78 12.55 -12.48 C:69 15.04 -11.79 C:18 18.78 -7.91 C:19 18.78 -9.35 C:86 15.04 -8.44 C:50 13.59 -11.45 C:24 17.48 -8.63 C:35 16.20 -9.35 C:84 12.96 -10.10 C:47 16.20 -10.84 44 1 -2 46 2 -2 47 3 -2 48 4 -1 5 22 1 6 23 1 7 32 1 8 33 1 9 38 1 10 38 1 39 11 -1 43 12 -2 43 13 -1 45 14 -2 15 32 2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 49 21 -1 22 34 1 23 35 1 24 27 1 50 24 -2 25 40 1 25 44 1 26 39 1 26 49 1 27 34 1 28 32 1 40 28 -1 29 35 1 41 29 -1 30 36 1 42 30 -2 31 33 1 45 31 -1 36 38 1 37 45 1 37 49 1 39 41 1 40 50 1 41 46 1 42 46 1 42 50 1 43 44 1 43 47 1 44 47 1 45 48 1 46 49 1 47 48 1 48 50 1', 'C34H50O12', 650.388, 'C', 'np99_1399_4e', 122, '', '', '1', 36, NULL, NULL),
(8343, 'Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]45[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]3([CH2:17]O[C:17001]([CH3:17002])=O)[C@H:5](O[C:5001](=O)[c:5002]1[cH:5003][cH:5004][cH:5005][cH:5006][cH:5007]1)[C@@:4]2([H])[C@@H:3](O[C:3001](=O)[CH2:3002][CH3:3003])[C@@H:2]([CH3:16])[CH2:1][C@:15]2(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]3([H])[C@@:11]4([H])[C@:10]5([CH3:19])[CH3:18]', '[H][C@]45C[C@@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(=O)c1ccccc1)[C@@]2([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]2(O)C(=O)[C@@](C)(OC(C)=O)[C@]3([H])[C@@]4([H])[C@]5(C)C', '[H][C@:19]45[CH2:22][C@@H:71](O[C:171]([CH3:21])=O)[C@@:48]3([CH2:63]O[C:170]([CH3:21])=O)[C@H:70](O[C:165](=O)[c:132]1[cH:130][cH:128][cH:130][cH:128][cH:130]1)[C@@:50]2([H])[C@@H:78](O[C:174](=O)[CH2:26][CH3:9])[C@@H:37]([CH3:14])[CH2:43][C@:84]2(O)[C:204](=O)[C@@:86]([CH3:25])(O[C:171]([CH3:21])=O)[C@:35]3([H])[C@@:24]4([H])[C@:18]5([CH3:15])[CH3:29]', '52 56 H 19.76 -8.40 H 14.04 -11.74 H 17.15 -6.96 H 16.21 -7.65 C:3003 10.18 -16.19 C:17002 18.59 -14.51 C:7002 21.18 -11.79 C:13002 12.74 -4.86 C:16 9.93 -11.80 C:19 20.10 -6.94 C:18 18.37 -5.96 C:20 15.37 -6.38 O 16.21 -14.40 O 19.93 -9.72 O 15.16 -4.86 O 10.12 -13.41 O 13.18 -13.75 O 12.60 -7.18 O 12.36 -8.23 C:5005 16.25 -17.43 C:5004 16.98 -16.27 C:5006 14.85 -17.43 C:5003 16.31 -15.04 C:5007 14.18 -16.20 C:3002 11.39 -15.49 C:17 16.21 -11.66 C:1 11.50 -9.70 C:8 18.79 -10.24 O 17.44 -12.34 O 18.69 -11.73 O 12.55 -13.26 O 15.05 -12.58 O 13.96 -6.97 C:17001 17.44 -13.73 C:7001 19.95 -11.13 C:13001 13.95 -5.57 C:3001 11.39 -14.07 C:5001 14.28 -13.75 C:14 13.60 -8.15 C:5002 14.91 -15.04 C:2 11.23 -11.19 C:7 17.49 -11.01 C:3 12.56 -11.88 C:5 15.05 -11.19 C:10 18.79 -7.30 C:9 18.79 -8.74 C:13 15.05 -7.83 C:4 13.60 -10.85 C:15 12.97 -9.50 C:11 17.49 -8.02 C:12 16.21 -8.74 C:6 16.21 -10.24 46 1 -2 48 2 -2 50 3 -2 51 4 -1 5 25 1 6 34 1 7 35 1 8 36 1 41 9 -1 45 10 -1 45 11 -2 47 12 -2 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 49 19 -1 20 21 2 20 22 1 21 23 1 22 24 2 23 40 2 24 40 1 25 37 1 26 29 1 52 26 -2 27 41 1 27 49 1 28 42 1 28 46 1 29 34 1 30 35 1 42 30 -1 31 37 1 43 31 -1 32 38 1 44 32 -2 33 36 1 47 33 -1 38 40 1 39 47 1 39 49 1 41 43 1 42 52 1 43 48 1 44 48 1 44 52 1 45 46 1 45 50 1 46 50 1 47 51 1 48 49 1 50 51 1 51 52 1', '52 56 H 19.76 -8.40 H 14.04 -11.74 H 17.15 -6.96 H 16.21 -7.65 C 10.18 -16.19 C 18.59 -14.51 C 21.18 -11.79 C 12.74 -4.86 C 9.93 -11.80 C 20.10 -6.94 C 18.37 -5.96 C 15.37 -6.38 O 16.21 -14.40 O 19.93 -9.72 O 15.16 -4.86 O 10.12 -13.41 O 13.18 -13.75 O 12.60 -7.18 O 12.36 -8.23 C 16.25 -17.43 C 16.98 -16.27 C 14.85 -17.43 C 16.31 -15.04 C 14.18 -16.20 C 11.39 -15.49 C 16.21 -11.66 C 11.50 -9.70 C 18.79 -10.24 O 17.44 -12.34 O 18.69 -11.73 O 12.55 -13.26 O 15.05 -12.58 O 13.96 -6.97 C 17.44 -13.73 C 19.95 -11.13 C 13.95 -5.57 C 11.39 -14.07 C 14.28 -13.75 C 13.60 -8.15 C 14.91 -15.04 C 11.23 -11.19 C 17.49 -11.01 C 12.56 -11.88 C 15.05 -11.19 C 18.79 -7.30 C 18.79 -8.74 C 15.05 -7.83 C 13.60 -10.85 C 12.97 -9.50 C 17.49 -8.02 C 16.21 -8.74 C 16.21 -10.24 46 1 -2 48 2 -2 50 3 -2 51 4 -1 5 25 1 6 34 1 7 35 1 8 36 1 41 9 -1 45 10 -1 45 11 -2 47 12 -2 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 49 19 -1 20 21 2 20 22 1 21 23 1 22 24 2 23 40 2 24 40 1 25 37 1 26 29 1 52 26 -2 27 41 1 27 49 1 28 42 1 28 46 1 29 34 1 30 35 1 42 30 -1 31 37 1 43 31 -1 32 38 1 44 32 -2 33 36 1 47 33 -1 38 40 1 39 47 1 39 49 1 41 43 1 42 52 1 43 48 1 44 48 1 44 52 1 45 46 1 45 50 1 46 50 1 47 51 1 48 49 1 50 51 1 51 52 1', '52 56 H 19.76 -8.40 H 14.04 -11.74 H 17.15 -6.96 H 16.21 -7.65 C:9 10.18 -16.19 C:21 18.59 -14.51 C:21 21.18 -11.79 C:21 12.74 -4.86 C:14 9.93 -11.80 C:15 20.10 -6.94 C:29 18.37 -5.96 C:25 15.37 -6.38 O 16.21 -14.40 O 19.93 -9.72 O 15.16 -4.86 O 10.12 -13.41 O 13.18 -13.75 O 12.60 -7.18 O 12.36 -8.23 C:130 16.25 -17.43 C:128 16.98 -16.27 C:128 14.85 -17.43 C:130 16.31 -15.04 C:130 14.18 -16.20 C:26 11.39 -15.49 C:63 16.21 -11.66 C:43 11.50 -9.70 C:22 18.79 -10.24 O 17.44 -12.34 O 18.69 -11.73 O 12.55 -13.26 O 15.05 -12.58 O 13.96 -6.97 C:170 17.44 -13.73 C:171 19.95 -11.13 C:171 13.95 -5.57 C:174 11.39 -14.07 C:165 14.28 -13.75 C:204 13.60 -8.15 C:132 14.91 -15.04 C:37 11.23 -11.19 C:71 17.49 -11.01 C:78 12.56 -11.88 C:70 15.05 -11.19 C:18 18.79 -7.30 C:19 18.79 -8.74 C:86 15.05 -7.83 C:50 13.60 -10.85 C:84 12.97 -9.50 C:24 17.49 -8.02 C:35 16.21 -8.74 C:48 16.21 -10.24 46 1 -2 48 2 -2 50 3 -2 51 4 -1 5 25 1 6 34 1 7 35 1 8 36 1 41 9 -1 45 10 -1 45 11 -2 47 12 -2 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 49 19 -1 20 21 2 20 22 1 21 23 1 22 24 2 23 40 2 24 40 1 25 37 1 26 29 1 52 26 -2 27 41 1 27 49 1 28 42 1 28 46 1 29 34 1 30 35 1 42 30 -1 31 37 1 43 31 -1 32 38 1 44 32 -2 33 36 1 47 33 -1 38 40 1 39 47 1 39 49 1 41 43 1 42 52 1 43 48 1 44 48 1 44 52 1 45 46 1 45 50 1 46 50 1 47 51 1 48 49 1 50 51 1 51 52 1', 'C36H46O12', 670.41, 'C', 'np99_1399_4f', 122, '', '', '1', 36, NULL, NULL),
(8344, 'Premyrsinol-3-propanoate-5-isobutyrate-7,13,17-triaacetate', '', 'Terpenoids', 'Diterpenoids', 'Cyclolathyranes', '[H][C@:9]34[CH2:8][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]2([CH2:17]O[C:17001]([CH3:17002])=O)[C@H:5](O[C:5001](=O)[CH:5002]([CH3:5201])[CH3:5003])[C@@:4]1([H])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@:13]([CH3:20])(O[C:13001]([CH3:13002])=O)[C@:12]2([H])[C@@:11]3([H])[C@:10]4([CH3:19])[CH3:18]', '[H][C@]34C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)C(C)C)[C@@]1([H])[C@@H](OC(C)=O)[C@@H](C)C[C@]1(O)C(=O)[C@@](C)(OC(C)=O)[C@]2([H])[C@@]3([H])[C@]4(C)C', '[H][C@:19]34[CH2:22][C@@H:71](O[C:171]([CH3:21])=O)[C@@:47]2([CH2:63]O[C:170]([CH3:21])=O)[C@H:69](O[C:175](=O)[CH:34]([CH3:19])[CH3:19])[C@@:50]1([H])[C@@H:78](O[C:171]([CH3:21])=O)[C@@H:37]([CH3:14])[CH2:43][C@:84]1(O)[C:204](=O)[C@@:86]([CH3:25])(O[C:170]([CH3:21])=O)[C@:35]2([H])[C@@:24]3([H])[C@:18]4([CH3:15])[CH3:30]', '48 51 H 19.75 -9.01 H 14.03 -12.34 H 17.14 -7.57 H 16.20 -8.26 C:17002 18.58 -15.11 C:7002 21.17 -12.39 C:3002 11.38 -16.09 C:13002 12.73 -5.48 C:5201 14.13 -16.79 C:5003 16.30 -15.63 C:16 9.92 -12.40 C:19 20.09 -7.55 C:18 18.36 -6.57 C:20 15.36 -6.99 O 16.20 -15.00 O 19.92 -10.32 O 10.11 -14.01 O 15.15 -5.48 O 13.17 -14.35 O 12.59 -7.79 O 12.35 -8.84 C:17 16.20 -12.26 C:8 18.78 -10.84 C:1 11.49 -10.30 O 17.43 -12.94 O 18.68 -12.33 O 12.54 -13.86 O 15.04 -13.18 O 13.95 -7.58 C:17001 17.43 -14.33 C:7001 19.94 -11.73 C:3001 11.38 -14.67 C:13001 13.94 -6.18 C:5001 14.27 -14.35 C:14 13.59 -8.76 C:5002 14.90 -15.61 C:2 11.22 -11.79 C:7 17.48 -11.61 C:3 12.55 -12.48 C:5 15.04 -11.79 C:10 18.78 -7.91 C:9 18.78 -9.35 C:13 15.04 -8.44 C:4 13.59 -11.45 C:11 17.48 -8.63 C:12 16.20 -9.35 C:15 12.96 -10.10 C:6 16.20 -10.84 42 1 -2 44 2 -2 45 3 -2 46 4 -1 5 30 1 6 31 1 7 32 1 8 33 1 9 36 1 10 36 1 37 11 -1 41 12 -1 41 13 -2 43 14 -2 15 30 2 16 31 2 17 32 2 18 33 2 19 34 2 20 35 2 47 21 -1 22 25 1 48 22 -2 23 38 1 23 42 1 24 37 1 24 47 1 25 30 1 26 31 1 38 26 -1 27 32 1 39 27 -1 28 34 1 40 28 -2 29 33 1 43 29 -1 34 36 1 35 43 1 35 47 1 37 39 1 38 48 1 39 44 1 40 44 1 40 48 1 41 42 1 41 45 1 42 45 1 43 46 1 44 47 1 45 46 1 46 48 1', '48 51 H 19.75 -9.01 H 14.03 -12.34 H 17.14 -7.57 H 16.20 -8.26 C 18.58 -15.11 C 21.17 -12.39 C 11.38 -16.09 C 12.73 -5.48 C 14.13 -16.79 C 16.30 -15.63 C 9.92 -12.40 C 20.09 -7.55 C 18.36 -6.57 C 15.36 -6.99 O 16.20 -15.00 O 19.92 -10.32 O 10.11 -14.01 O 15.15 -5.48 O 13.17 -14.35 O 12.59 -7.79 O 12.35 -8.84 C 16.20 -12.26 C 18.78 -10.84 C 11.49 -10.30 O 17.43 -12.94 O 18.68 -12.33 O 12.54 -13.86 O 15.04 -13.18 O 13.95 -7.58 C 17.43 -14.33 C 19.94 -11.73 C 11.38 -14.67 C 13.94 -6.18 C 14.27 -14.35 C 13.59 -8.76 C 14.90 -15.61 C 11.22 -11.79 C 17.48 -11.61 C 12.55 -12.48 C 15.04 -11.79 C 18.78 -7.91 C 18.78 -9.35 C 15.04 -8.44 C 13.59 -11.45 C 17.48 -8.63 C 16.20 -9.35 C 12.96 -10.10 C 16.20 -10.84 42 1 -2 44 2 -2 45 3 -2 46 4 -1 5 30 1 6 31 1 7 32 1 8 33 1 9 36 1 10 36 1 37 11 -1 41 12 -1 41 13 -2 43 14 -2 15 30 2 16 31 2 17 32 2 18 33 2 19 34 2 20 35 2 47 21 -1 22 25 1 48 22 -2 23 38 1 23 42 1 24 37 1 24 47 1 25 30 1 26 31 1 38 26 -1 27 32 1 39 27 -1 28 34 1 40 28 -2 29 33 1 43 29 -1 34 36 1 35 43 1 35 47 1 37 39 1 38 48 1 39 44 1 40 44 1 40 48 1 41 42 1 41 45 1 42 45 1 43 46 1 44 47 1 45 46 1 46 48 1', '48 51 H 19.75 -9.01 H 14.03 -12.34 H 17.14 -7.57 H 16.20 -8.26 C:21 18.58 -15.11 C:21 21.17 -12.39 C:21 11.38 -16.09 C:21 12.73 -5.48 C:19 14.13 -16.79 C:19 16.30 -15.63 C:14 9.92 -12.40 C:15 20.09 -7.55 C:30 18.36 -6.57 C:25 15.36 -6.99 O 16.20 -15.00 O 19.92 -10.32 O 10.11 -14.01 O 15.15 -5.48 O 13.17 -14.35 O 12.59 -7.79 O 12.35 -8.84 C:63 16.20 -12.26 C:22 18.78 -10.84 C:43 11.49 -10.30 O 17.43 -12.94 O 18.68 -12.33 O 12.54 -13.86 O 15.04 -13.18 O 13.95 -7.58 C:170 17.43 -14.33 C:171 19.94 -11.73 C:171 11.38 -14.67 C:170 13.94 -6.18 C:175 14.27 -14.35 C:204 13.59 -8.76 C:34 14.90 -15.61 C:37 11.22 -11.79 C:71 17.48 -11.61 C:78 12.55 -12.48 C:69 15.04 -11.79 C:18 18.78 -7.91 C:19 18.78 -9.35 C:86 15.04 -8.44 C:50 13.59 -11.45 C:24 17.48 -8.63 C:35 16.20 -9.35 C:84 12.96 -10.10 C:47 16.20 -10.84 42 1 -2 44 2 -2 45 3 -2 46 4 -1 5 30 1 6 31 1 7 32 1 8 33 1 9 36 1 10 36 1 37 11 -1 41 12 -1 41 13 -2 43 14 -2 15 30 2 16 31 2 17 32 2 18 33 2 19 34 2 20 35 2 47 21 -1 22 25 1 48 22 -2 23 38 1 23 42 1 24 37 1 24 47 1 25 30 1 26 31 1 38 26 -1 27 32 1 39 27 -1 28 34 1 40 28 -2 29 33 1 43 29 -1 34 36 1 35 43 1 35 47 1 37 39 1 38 48 1 39 44 1 40 44 1 40 48 1 41 42 1 41 45 1 42 45 1 43 46 1 44 47 1 45 46 1 46 48 1', 'C32H46O12', 622.367, 'C', 'np99_1399_4g', 122, '', '', '1', 36, NULL, NULL),
(8345, 'Lathyrol', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]23[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O)[C@:4]1([H])[C@@H:5](O)[C:6](=[CH2:17])[CH2:7][CH2:8][C@:9]2([H])[C@@:10]3([CH3:19])[CH3:18]', '[H][C@@]23C=C(C)C(=O)[C@@]1(O)C[C@H](C)[C@H](O)[C@]1([H])[C@@H](O)C(=C)CC[C@]2([H])[C@@]3(C)C', '[H][C@@:26]23[CH:140]=[C:137]([CH3:14])[C:207](=O)[C@@:88]1(O)[CH2:47][C@H:38]([CH3:14])[C@H:77](O)[C@:53]1([H])[C@@H:70](O)[C:148](=[CH2:111])[CH2:34][CH2:23][C@:35]2([H])[C@@:24]3([CH3:16])[CH3:29]', '27 29 H 17.69 -8.69 H 20.34 -9.96 H 14.56 -13.29 C:17 16.45 -10.81 C:20 15.93 -7.90 C:16 10.44 -13.35 C:19 20.68 -8.47 C:18 18.96 -7.46 O 13.26 -8.58 O 15.93 -14.08 O 13.04 -14.82 O 12.65 -9.91 C:12 16.76 -10.11 C:7 18.05 -12.55 C:8 19.36 -11.79 C:1 11.98 -11.25 C:6 16.76 -12.00 C:13 15.57 -9.37 C:14 14.13 -9.69 C:2 11.72 -12.73 C:5 15.57 -12.73 C:3 13.04 -13.43 C:10 19.36 -8.85 C:11 18.05 -9.56 C:9 19.36 -10.31 C:4 14.13 -12.39 C:15 13.49 -11.05 24 1 -2 25 2 -2 26 3 -2 4 17 2 5 18 1 20 6 -1 23 7 -1 23 8 -2 9 19 2 21 10 -2 22 11 -1 27 12 -1 13 18 2 13 24 1 14 15 1 14 17 1 15 25 1 16 20 1 16 27 1 17 21 1 18 19 1 19 27 1 20 22 1 21 26 1 22 26 1 23 24 1 23 25 1 24 25 1 26 27 1', '27 29 H 17.69 -8.69 H 20.34 -9.96 H 14.56 -13.29 C 16.45 -10.81 C 15.93 -7.90 C 10.44 -13.35 C 20.68 -8.47 C 18.96 -7.46 O 13.26 -8.58 O 15.93 -14.08 O 13.04 -14.82 O 12.65 -9.91 C 16.76 -10.11 C 18.05 -12.55 C 19.36 -11.79 C 11.98 -11.25 C 16.76 -12.00 C 15.57 -9.37 C 14.13 -9.69 C 11.72 -12.73 C 15.57 -12.73 C 13.04 -13.43 C 19.36 -8.85 C 18.05 -9.56 C 19.36 -10.31 C 14.13 -12.39 C 13.49 -11.05 24 1 -2 25 2 -2 26 3 -2 4 17 2 5 18 1 20 6 -1 23 7 -1 23 8 -2 9 19 2 21 10 -2 22 11 -1 27 12 -1 13 18 2 13 24 1 14 15 1 14 17 1 15 25 1 16 20 1 16 27 1 17 21 1 18 19 1 19 27 1 20 22 1 21 26 1 22 26 1 23 24 1 23 25 1 24 25 1 26 27 1', '27 29 H 17.69 -8.69 H 20.34 -9.96 H 14.56 -13.29 C:111 16.45 -10.81 C:14 15.93 -7.90 C:14 10.44 -13.35 C:16 20.68 -8.47 C:29 18.96 -7.46 O 13.26 -8.58 O 15.93 -14.08 O 13.04 -14.82 O 12.65 -9.91 C:140 16.76 -10.11 C:34 18.05 -12.55 C:23 19.36 -11.79 C:47 11.98 -11.25 C:148 16.76 -12.00 C:137 15.57 -9.37 C:207 14.13 -9.69 C:38 11.72 -12.73 C:70 15.57 -12.73 C:77 13.04 -13.43 C:24 19.36 -8.85 C:26 18.05 -9.56 C:35 19.36 -10.31 C:53 14.13 -12.39 C:88 13.49 -11.05 24 1 -2 25 2 -2 26 3 -2 4 17 2 5 18 1 20 6 -1 23 7 -1 23 8 -2 9 19 2 21 10 -2 22 11 -1 27 12 -1 13 18 2 13 24 1 14 15 1 14 17 1 15 25 1 16 20 1 16 27 1 17 21 1 18 19 1 19 27 1 20 22 1 21 26 1 22 26 1 23 24 1 23 25 1 24 25 1 26 27 1', 'C20H30O4', 334.235, 'C', 'np99_1399_1c', 122, '', '', '1', 36, 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
(8346, '', '7alfa-hydroxylathyrol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]23[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O)[C@:4]1([H])[C@@H:5](O)[C:6](=[CH2:17])[C@H:7](O)[CH2:8][C@:9]2([H])[C@@:10]3([CH3:19])[CH3:18]', '[H][C@@]23C=C(C)C(=O)[C@@]1(O)C[C@H](C)[C@H](O)[C@]1([H])[C@@H](O)C(=C)[C@H](O)C[C@]2([H])[C@@]3(C)C', '[H][C@@:27]23[CH:148]=[C:132]([CH3:11])[C:200](=O)[C@@:87]1(O)[CH2:47][C@H:36]([CH3:13])[C@H:77](O)[C@:53]1([H])[C@@H:63](O)[C:148](=[CH2:111])[C@H:76](O)[CH2:23][C@:30]2([H])[C@@:27]3([CH3:15])[CH3:30]', '28 30 H 17.70 -8.69 H 20.34 -9.96 H 14.56 -13.29 C:17 16.45 -10.81 C:20 15.93 -7.90 C:16 10.44 -13.35 C:19 20.68 -8.47 C:18 18.96 -7.46 O 13.27 -8.58 O 18.04 -13.94 O 15.93 -14.08 O 13.05 -14.82 O 12.65 -9.91 C:12 16.76 -10.11 C:8 19.37 -11.79 C:1 11.98 -11.25 C:13 15.57 -9.38 C:6 16.76 -12.00 C:14 14.13 -9.69 C:2 11.72 -12.73 C:7 18.04 -12.55 C:5 15.57 -12.73 C:3 13.05 -13.43 C:10 19.37 -8.85 C:11 18.04 -9.57 C:9 19.37 -10.31 C:4 14.13 -12.39 C:15 13.49 -11.05 25 1 -2 26 2 -2 27 3 -2 4 18 2 5 17 1 20 6 -1 24 7 -1 24 8 -2 9 19 2 21 10 -1 22 11 -2 23 12 -1 28 13 -1 14 17 2 14 25 1 15 21 1 15 26 1 16 20 1 16 28 1 17 19 1 18 21 1 18 22 1 19 28 1 20 23 1 22 27 1 23 27 1 24 25 1 24 26 1 25 26 1 27 28 1', '28 30 H 17.70 -8.69 H 20.34 -9.96 H 14.56 -13.29 C 16.45 -10.81 C 15.93 -7.90 C 10.44 -13.35 C 20.68 -8.47 C 18.96 -7.46 O 13.27 -8.58 O 18.04 -13.94 O 15.93 -14.08 O 13.05 -14.82 O 12.65 -9.91 C 16.76 -10.11 C 19.37 -11.79 C 11.98 -11.25 C 15.57 -9.38 C 16.76 -12.00 C 14.13 -9.69 C 11.72 -12.73 C 18.04 -12.55 C 15.57 -12.73 C 13.05 -13.43 C 19.37 -8.85 C 18.04 -9.57 C 19.37 -10.31 C 14.13 -12.39 C 13.49 -11.05 25 1 -2 26 2 -2 27 3 -2 4 18 2 5 17 1 20 6 -1 24 7 -1 24 8 -2 9 19 2 21 10 -1 22 11 -2 23 12 -1 28 13 -1 14 17 2 14 25 1 15 21 1 15 26 1 16 20 1 16 28 1 17 19 1 18 21 1 18 22 1 19 28 1 20 23 1 22 27 1 23 27 1 24 25 1 24 26 1 25 26 1 27 28 1', '28 30 H 17.70 -8.69 H 20.34 -9.96 H 14.56 -13.29 C:111 16.45 -10.81 C:11 15.93 -7.90 C:13 10.44 -13.35 C:15 20.68 -8.47 C:30 18.96 -7.46 O 13.27 -8.58 O 18.04 -13.94 O 15.93 -14.08 O 13.05 -14.82 O 12.65 -9.91 C:148 16.76 -10.11 C:23 19.37 -11.79 C:47 11.98 -11.25 C:132 15.57 -9.38 C:148 16.76 -12.00 C:200 14.13 -9.69 C:36 11.72 -12.73 C:76 18.04 -12.55 C:63 15.57 -12.73 C:77 13.05 -13.43 C:27 19.37 -8.85 C:27 18.04 -9.57 C:30 19.37 -10.31 C:53 14.13 -12.39 C:87 13.49 -11.05 25 1 -2 26 2 -2 27 3 -2 4 18 2 5 17 1 20 6 -1 24 7 -1 24 8 -2 9 19 2 21 10 -1 22 11 -2 23 12 -1 28 13 -1 14 17 2 14 25 1 15 21 1 15 26 1 16 20 1 16 28 1 17 19 1 18 21 1 18 22 1 19 28 1 20 23 1 22 27 1 23 27 1 24 25 1 24 26 1 25 26 1 27 28 1', 'C20H30O5', 350.235, 'C', 'np99_1399_3b', 122, '', '', '1', 36, NULL, NULL),
(8347, '', '4,12,20-Trideoxyphorbol-13-(2,3-dimethyl)butyrate', 'Terpenoids', 'Diterpenoids', 'Tiglianes', '[H][C@:4]34[CH2:5][C:6]([CH3:20])=[CH:7][C@@:8]2([H])[C@:14]1([H])[C@:15]([CH3:16])([CH3:17])[C@:13]1(O[C:13001](=O)[CH:13002]([CH3:13201])[CH:13003]([CH3:13301])[CH3:13004])[CH2:12][C@@H:11]([CH3:18])[C@:9]2(O)[C@:10]3([H])[CH:1]=[C:2]([CH3:19])[C:3]4=O', '[H][C@]34CC(C)=C[C@@]2([H])[C@]1([H])[C@](C)(C)[C@]1(OC(=O)C(C)C(C)C)C[C@@H](C)[C@]2(O)[C@]3([H])C=C(C)C4=O', '[H][C@:44]34[CH2:34][C:136]([CH3:25])=[CH:127][C@@:42]2([H])[C@:32]1([H])[C@:23]([CH3:15])([CH3:23])[C@:63]1(O[C:178](=O)[CH:35]([CH3:13])[CH:31]([CH3:19])[CH3:21])[CH2:32][C@@H:46]([CH3:19])[C@:75]2(O)[C@:54]3([H])[CH:161]=[C:138]([CH3:10])[C:203]4=O', '34 37 H 12.35 -14.67 H 13.39 -11.38 H 15.75 -11.58 H 17.71 -12.69 C:20 15.45 -16.44 C:19 9.38 -11.88 C:13301 20.50 -9.40 C:13004 21.72 -7.28 C:18 13.27 -9.62 C:13201 19.28 -5.86 C:16 19.56 -11.88 C:17 19.56 -10.43 O 16.82 -7.27 O 10.38 -14.87 O 14.54 -13.26 C:7 15.94 -14.01 C:1 11.95 -11.48 C:5 13.49 -14.95 C:12 15.80 -9.65 O 18.05 -9.39 C:6 14.93 -15.07 C:2 10.78 -12.34 C:13001 18.05 -7.98 C:3 11.22 -13.72 C:13003 20.50 -7.99 C:11 14.54 -10.37 C:13002 19.28 -7.27 C:15 18.30 -11.14 C:4 12.66 -13.72 C:10 13.14 -12.34 C:8 15.75 -12.56 C:14 17.02 -11.85 C:9 14.54 -11.82 C:13 17.02 -10.40 29 1 -1 30 2 -2 31 3 -1 32 4 -2 5 21 1 6 22 1 7 25 1 8 25 1 26 9 -2 10 27 1 28 11 -2 28 12 -1 13 23 2 14 24 2 33 15 -2 16 21 2 16 31 1 17 22 2 17 30 1 18 21 1 18 29 1 19 26 1 19 34 1 20 23 1 34 20 -2 22 24 1 23 27 1 24 29 1 25 27 1 26 33 1 28 32 1 28 34 1 29 30 1 30 33 1 31 32 1 31 33 1 32 34 1', '34 37 H 12.35 -14.67 H 13.39 -11.38 H 15.75 -11.58 H 17.71 -12.69 C 15.45 -16.44 C 9.38 -11.88 C 20.50 -9.40 C 21.72 -7.28 C 13.27 -9.62 C 19.28 -5.86 C 19.56 -11.88 C 19.56 -10.43 O 16.82 -7.27 O 10.38 -14.87 O 14.54 -13.26 C 15.94 -14.01 C 11.95 -11.48 C 13.49 -14.95 C 15.80 -9.65 O 18.05 -9.39 C 14.93 -15.07 C 10.78 -12.34 C 18.05 -7.98 C 11.22 -13.72 C 20.50 -7.99 C 14.54 -10.37 C 19.28 -7.27 C 18.30 -11.14 C 12.66 -13.72 C 13.14 -12.34 C 15.75 -12.56 C 17.02 -11.85 C 14.54 -11.82 C 17.02 -10.40 29 1 -1 30 2 -2 31 3 -1 32 4 -2 5 21 1 6 22 1 7 25 1 8 25 1 26 9 -2 10 27 1 28 11 -2 28 12 -1 13 23 2 14 24 2 33 15 -2 16 21 2 16 31 1 17 22 2 17 30 1 18 21 1 18 29 1 19 26 1 19 34 1 20 23 1 34 20 -2 22 24 1 23 27 1 24 29 1 25 27 1 26 33 1 28 32 1 28 34 1 29 30 1 30 33 1 31 32 1 31 33 1 32 34 1', '34 37 H 12.35 -14.67 H 13.39 -11.38 H 15.75 -11.58 H 17.71 -12.69 C:25 15.45 -16.44 C:10 9.38 -11.88 C:19 20.50 -9.40 C:21 21.72 -7.28 C:19 13.27 -9.62 C:13 19.28 -5.86 C:15 19.56 -11.88 C:23 19.56 -10.43 O 16.82 -7.27 O 10.38 -14.87 O 14.54 -13.26 C:127 15.94 -14.01 C:161 11.95 -11.48 C:34 13.49 -14.95 C:32 15.80 -9.65 O 18.05 -9.39 C:136 14.93 -15.07 C:138 10.78 -12.34 C:178 18.05 -7.98 C:203 11.22 -13.72 C:31 20.50 -7.99 C:46 14.54 -10.37 C:35 19.28 -7.27 C:23 18.30 -11.14 C:44 12.66 -13.72 C:54 13.14 -12.34 C:42 15.75 -12.56 C:32 17.02 -11.85 C:75 14.54 -11.82 C:63 17.02 -10.40 29 1 -1 30 2 -2 31 3 -1 32 4 -2 5 21 1 6 22 1 7 25 1 8 25 1 26 9 -2 10 27 1 28 11 -2 28 12 -1 13 23 2 14 24 2 33 15 -2 16 21 2 16 31 1 17 22 2 17 30 1 18 21 1 18 29 1 19 26 1 19 34 1 20 23 1 34 20 -2 22 24 1 23 27 1 24 29 1 25 27 1 26 33 1 28 32 1 28 34 1 29 30 1 30 33 1 31 32 1 31 33 1 32 34 1', 'C26H38O4', 414.308, 'C', 'np99_1399_5a', 122, '', '', '1', 36, NULL, NULL),
(8348, '', '2-epi-Ingol-3,7,8,12-tetraacetate ', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]23[C@@H:12](O[C:12001]([CH3:12002])=O)[C@H:13]([CH3:20])[C:14](=O)[C@@:15]14[CH2:1][C@@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@:9]2([H])[C@@:10]3([CH3:19])[CH3:18])O4', '[H][C@@]23[C@@H](OC(C)=O)[C@H](C)C(=O)[C@@]14C[C@@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2([H])[C@@]3(C)C)O4', '[H][C@@:31]23[C@@H:71](O[C:170]([CH3:21])=O)[C@H:43]([CH3:13])[C:207](=O)[C@@:71]14[CH2:31][C@@H:31]([CH3:16])[C@H:81](O[C:171]([CH3:21])=O)[C@:70]1([CH:117]=[C:139]([CH3:17])[C@@H:77](O[C:170]([CH3:21])=O)[C@@H:71](O[C:170]([CH3:21])=O)[C@:25]2([H])[C@@:19]3([CH3:16])[CH3:29])O4', '40 43 H 16.56 -8.20 H 19.09 -9.43 C:7002 15.60 -15.45 C:12002 14.98 -5.84 C:3002 11.11 -16.47 C:8002 21.72 -11.93 C:17 14.69 -10.22 C:16 9.41 -12.74 C:20 14.50 -7.43 C:19 19.42 -7.99 C:18 17.90 -6.91 O 14.39 -13.37 O 17.07 -6.57 O 9.81 -14.55 O 20.48 -9.84 O 12.14 -8.08 C:5 14.42 -12.14 C:1 10.92 -10.68 O 16.80 -13.37 O 15.56 -8.26 O 12.19 -14.18 O 19.31 -11.94 O 13.77 -10.61 C:7001 15.60 -14.05 C:12001 15.89 -6.91 C:3001 11.11 -15.06 C:8001 20.50 -11.24 C:6 15.56 -11.22 C:14 13.00 -9.18 C:2 10.66 -12.14 C:13 14.42 -8.86 C:7 16.80 -11.97 C:12 15.56 -9.77 C:3 11.97 -12.82 C:8 18.11 -11.22 C:10 18.11 -8.33 C:11 16.80 -9.04 C:9 18.11 -9.77 C:4 13.00 -11.81 C:15 12.38 -10.48 37 1 -2 38 2 -2 3 24 1 4 25 1 5 26 1 6 27 1 7 28 1 30 8 -2 31 9 -1 36 10 -1 36 11 -2 12 24 2 13 25 2 14 26 2 15 27 2 16 29 2 17 28 2 17 39 1 18 30 1 18 40 1 19 24 1 32 19 -2 20 25 1 33 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -2 39 23 -1 40 23 -1 28 32 1 29 31 1 29 40 1 30 34 1 31 33 1 32 35 1 33 37 1 34 39 1 35 38 1 36 37 1 36 38 1 37 38 1 39 40 1', '40 43 H 16.56 -8.20 H 19.09 -9.43 C 15.60 -15.45 C 14.98 -5.84 C 11.11 -16.47 C 21.72 -11.93 C 14.69 -10.22 C 9.41 -12.74 C 14.50 -7.43 C 19.42 -7.99 C 17.90 -6.91 O 14.39 -13.37 O 17.07 -6.57 O 9.81 -14.55 O 20.48 -9.84 O 12.14 -8.08 C 14.42 -12.14 C 10.92 -10.68 O 16.80 -13.37 O 15.56 -8.26 O 12.19 -14.18 O 19.31 -11.94 O 13.77 -10.61 C 15.60 -14.05 C 15.89 -6.91 C 11.11 -15.06 C 20.50 -11.24 C 15.56 -11.22 C 13.00 -9.18 C 10.66 -12.14 C 14.42 -8.86 C 16.80 -11.97 C 15.56 -9.77 C 11.97 -12.82 C 18.11 -11.22 C 18.11 -8.33 C 16.80 -9.04 C 18.11 -9.77 C 13.00 -11.81 C 12.38 -10.48 37 1 -2 38 2 -2 3 24 1 4 25 1 5 26 1 6 27 1 7 28 1 30 8 -2 31 9 -1 36 10 -1 36 11 -2 12 24 2 13 25 2 14 26 2 15 27 2 16 29 2 17 28 2 17 39 1 18 30 1 18 40 1 19 24 1 32 19 -2 20 25 1 33 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -2 39 23 -1 40 23 -1 28 32 1 29 31 1 29 40 1 30 34 1 31 33 1 32 35 1 33 37 1 34 39 1 35 38 1 36 37 1 36 38 1 37 38 1 39 40 1', '40 43 H 16.56 -8.20 H 19.09 -9.43 C:21 15.60 -15.45 C:21 14.98 -5.84 C:21 11.11 -16.47 C:21 21.72 -11.93 C:17 14.69 -10.22 C:16 9.41 -12.74 C:13 14.50 -7.43 C:16 19.42 -7.99 C:29 17.90 -6.91 O 14.39 -13.37 O 17.07 -6.57 O 9.81 -14.55 O 20.48 -9.84 O 12.14 -8.08 C:117 14.42 -12.14 C:31 10.92 -10.68 O 16.80 -13.37 O 15.56 -8.26 O 12.19 -14.18 O 19.31 -11.94 O 13.77 -10.61 C:170 15.60 -14.05 C:170 15.89 -6.91 C:171 11.11 -15.06 C:170 20.50 -11.24 C:139 15.56 -11.22 C:207 13.00 -9.18 C:31 10.66 -12.14 C:43 14.42 -8.86 C:77 16.80 -11.97 C:71 15.56 -9.77 C:81 11.97 -12.82 C:71 18.11 -11.22 C:19 18.11 -8.33 C:31 16.80 -9.04 C:25 18.11 -9.77 C:70 13.00 -11.81 C:71 12.38 -10.48 37 1 -2 38 2 -2 3 24 1 4 25 1 5 26 1 6 27 1 7 28 1 30 8 -2 31 9 -1 36 10 -1 36 11 -2 12 24 2 13 25 2 14 26 2 15 27 2 16 29 2 17 28 2 17 39 1 18 30 1 18 40 1 19 24 1 32 19 -2 20 25 1 33 20 -2 21 26 1 34 21 -1 22 27 1 35 22 -2 39 23 -1 40 23 -1 28 32 1 29 31 1 29 40 1 30 34 1 31 33 1 32 35 1 33 37 1 34 39 1 35 38 1 36 37 1 36 38 1 37 38 1 39 40 1', 'C28H38O10', 534.31, 'C', 'ph41_1149_1', 1559, '', '', '1', 36, NULL, NULL),
(8349, '', '2-epi-Ingol-3,8,12-triacetate-7-benzoate ', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]34[C@@H:12](O[C:12001]([CH3:12002])=O)[C@H:13]([CH3:20])[C:14](=O)[C@@:15]15[CH2:1][C@@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O[C:7001](=O)[c:7002]2[cH:7007][cH:7006][cH:7005][cH:7004][cH:7003]2)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@:9]3([H])[C@:10]4([CH3:18])[CH3:19])O5', '[H][C@@]34[C@@H](OC(C)=O)[C@H](C)C(=O)[C@@]15C[C@@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@]3([H])[C@]4(C)C)O5', '[H][C@@:31]34[C@@H:71](O[C:170]([CH3:21])=O)[C@H:43]([CH3:13])[C:207](=O)[C@@:71]15[CH2:31][C@@H:31]([CH3:16])[C@H:80](O[C:171]([CH3:21])=O)[C@:70]1([CH:117]=[C:139]([CH3:17])[C@@H:77](O[C:165](=O)[c:130]2[cH:130][cH:128][cH:133][cH:128][cH:130]2)[C@@H:72](O[C:170]([CH3:21])=O)[C@:25]3([H])[C@:19]4([CH3:29])[CH3:16])O5', '45 49 H 16.56 -7.30 H 19.08 -8.53 C:12002 14.98 -4.94 C:3002 11.11 -15.58 C:8002 21.71 -11.03 C:17 14.69 -9.32 C:16 9.41 -11.84 C:20 14.50 -6.53 C:18 17.89 -6.01 C:19 19.41 -7.09 O 17.06 -5.67 O 9.81 -13.66 O 20.47 -8.94 O 14.39 -12.47 O 12.14 -7.18 C:5 14.42 -11.24 C:7005 15.60 -17.36 C:7006 14.38 -16.66 C:7004 16.81 -16.66 C:7007 14.38 -15.26 C:7003 16.81 -15.26 C:1 10.92 -9.78 O 15.56 -7.36 O 12.19 -13.29 O 19.30 -11.04 O 16.80 -12.47 O 13.77 -9.71 C:12001 15.89 -6.01 C:3001 11.11 -14.17 C:8001 20.49 -10.34 C:6 15.56 -10.32 C:7001 15.60 -13.16 C:14 13.00 -8.28 C:7002 15.60 -14.56 C:2 10.66 -11.24 C:13 14.42 -7.96 C:7 16.80 -11.07 C:12 15.56 -8.87 C:3 11.97 -11.92 C:8 18.10 -10.32 C:10 18.10 -7.43 C:11 16.80 -8.14 C:9 18.10 -8.87 C:4 13.00 -10.91 C:15 12.38 -9.58 42 1 -2 43 2 -2 3 28 1 4 29 1 5 30 1 6 31 1 35 7 -2 36 8 -1 41 9 -2 41 10 -1 11 28 2 12 29 2 13 30 2 14 32 2 15 33 2 16 31 2 16 44 1 17 18 1 17 19 2 18 20 2 19 21 1 20 34 1 21 34 2 22 35 1 22 45 1 23 28 1 38 23 -2 24 29 1 39 24 -1 25 30 1 40 25 -2 26 32 1 37 26 -2 44 27 -1 45 27 -1 31 37 1 32 34 1 33 36 1 33 45 1 35 39 1 36 38 1 37 40 1 38 42 1 39 44 1 40 43 1 41 42 1 41 43 1 42 43 1 44 45 1', '45 49 H 16.56 -7.30 H 19.08 -8.53 C 14.98 -4.94 C 11.11 -15.58 C 21.71 -11.03 C 14.69 -9.32 C 9.41 -11.84 C 14.50 -6.53 C 17.89 -6.01 C 19.41 -7.09 O 17.06 -5.67 O 9.81 -13.66 O 20.47 -8.94 O 14.39 -12.47 O 12.14 -7.18 C 14.42 -11.24 C 15.60 -17.36 C 14.38 -16.66 C 16.81 -16.66 C 14.38 -15.26 C 16.81 -15.26 C 10.92 -9.78 O 15.56 -7.36 O 12.19 -13.29 O 19.30 -11.04 O 16.80 -12.47 O 13.77 -9.71 C 15.89 -6.01 C 11.11 -14.17 C 20.49 -10.34 C 15.56 -10.32 C 15.60 -13.16 C 13.00 -8.28 C 15.60 -14.56 C 10.66 -11.24 C 14.42 -7.96 C 16.80 -11.07 C 15.56 -8.87 C 11.97 -11.92 C 18.10 -10.32 C 18.10 -7.43 C 16.80 -8.14 C 18.10 -8.87 C 13.00 -10.91 C 12.38 -9.58 42 1 -2 43 2 -2 3 28 1 4 29 1 5 30 1 6 31 1 35 7 -2 36 8 -1 41 9 -2 41 10 -1 11 28 2 12 29 2 13 30 2 14 32 2 15 33 2 16 31 2 16 44 1 17 18 1 17 19 2 18 20 2 19 21 1 20 34 1 21 34 2 22 35 1 22 45 1 23 28 1 38 23 -2 24 29 1 39 24 -1 25 30 1 40 25 -2 26 32 1 37 26 -2 44 27 -1 45 27 -1 31 37 1 32 34 1 33 36 1 33 45 1 35 39 1 36 38 1 37 40 1 38 42 1 39 44 1 40 43 1 41 42 1 41 43 1 42 43 1 44 45 1', '45 49 H 16.56 -7.30 H 19.08 -8.53 C:21 14.98 -4.94 C:21 11.11 -15.58 C:21 21.71 -11.03 C:17 14.69 -9.32 C:16 9.41 -11.84 C:13 14.50 -6.53 C:29 17.89 -6.01 C:16 19.41 -7.09 O 17.06 -5.67 O 9.81 -13.66 O 20.47 -8.94 O 14.39 -12.47 O 12.14 -7.18 C:117 14.42 -11.24 C:133 15.60 -17.36 C:128 14.38 -16.66 C:128 16.81 -16.66 C:130 14.38 -15.26 C:130 16.81 -15.26 C:31 10.92 -9.78 O 15.56 -7.36 O 12.19 -13.29 O 19.30 -11.04 O 16.80 -12.47 O 13.77 -9.71 C:170 15.89 -6.01 C:171 11.11 -14.17 C:170 20.49 -10.34 C:139 15.56 -10.32 C:165 15.60 -13.16 C:207 13.00 -8.28 C:130 15.60 -14.56 C:31 10.66 -11.24 C:43 14.42 -7.96 C:77 16.80 -11.07 C:71 15.56 -8.87 C:80 11.97 -11.92 C:72 18.10 -10.32 C:19 18.10 -7.43 C:31 16.80 -8.14 C:25 18.10 -8.87 C:70 13.00 -10.91 C:71 12.38 -9.58 42 1 -2 43 2 -2 3 28 1 4 29 1 5 30 1 6 31 1 35 7 -2 36 8 -1 41 9 -2 41 10 -1 11 28 2 12 29 2 13 30 2 14 32 2 15 33 2 16 31 2 16 44 1 17 18 1 17 19 2 18 20 2 19 21 1 20 34 1 21 34 2 22 35 1 22 45 1 23 28 1 38 23 -2 24 29 1 39 24 -1 25 30 1 40 25 -2 26 32 1 37 26 -2 44 27 -1 45 27 -1 31 37 1 32 34 1 33 36 1 33 45 1 35 39 1 36 38 1 37 40 1 38 42 1 39 44 1 40 43 1 41 42 1 41 43 1 42 43 1 44 45 1', 'C33H40O10', 596.363, 'C', 'ph41_1149_4', 1559, '', '', '1', 36, NULL, NULL),
(8350, '', 'Methyl-8b,11b3-Dihydroxy-12-oxo-ent-abietadi-13,15(17)-ene-16-oate ', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][C@@:8]1(O)[CH:14]=[C:13]([C:15](=[CH2:16])[C:17](=O)O[CH3:17001])[C:12](=O)[C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CC[C@@]1(O)C=C(C(=C)C(=O)OC)C(=O)[C@H](O)[C@@]1([H])[C@]2(C)CCC[C@]3(C)C', '[H][C@@:54]23[CH2:19][CH2:41][C@@:70]1(O)[CH:151]=[C:137]([C:137](=[CH2:129])[C:9999](=O)O[CH3:52])[C:198](=O)[C@H:72](O)[C@@:61]1([H])[C@:38]2([CH3:18])[CH2:39][CH2:18][CH2:42][C@:33]3([CH3:22])[CH3:34]', '28 30 H 12.48 -14.02 H 13.72 -11.94 C:16 17.44 -7.36 C:17001 21.12 -9.42 C:19 10.19 -14.79 C:18 12.22 -14.89 C:20 12.48 -10.21 O 18.72 -10.89 O 14.97 -7.39 O 12.48 -8.73 O 14.97 -10.26 C:14 16.21 -10.93 C:2 10.00 -11.67 C:3 10.00 -13.10 C:1 11.23 -10.93 C:6 13.72 -13.81 C:7 14.97 -13.10 O 19.88 -8.74 C:15 17.44 -8.80 C:17 18.72 -9.48 C:12 14.97 -8.80 C:13 16.21 -9.48 C:11 13.72 -9.48 C:4 11.23 -13.81 C:5 12.48 -13.10 C:9 13.72 -10.93 C:8 14.97 -11.67 C:10 12.48 -11.67 25 1 -2 26 2 -1 3 19 2 4 18 1 24 5 -2 24 6 -1 28 7 -2 8 20 2 9 21 2 23 10 -1 27 11 -1 12 22 2 12 27 1 13 14 1 13 15 1 14 24 1 15 28 1 16 17 1 16 25 1 17 27 1 18 20 1 19 20 1 19 22 1 21 22 1 21 23 1 23 26 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 30 H 12.48 -14.02 H 13.72 -11.94 C 17.44 -7.36 C 21.12 -9.42 C 10.19 -14.79 C 12.22 -14.89 C 12.48 -10.21 O 18.72 -10.89 O 14.97 -7.39 O 12.48 -8.73 O 14.97 -10.26 C 16.21 -10.93 C 10.00 -11.67 C 10.00 -13.10 C 11.23 -10.93 C 13.72 -13.81 C 14.97 -13.10 O 19.88 -8.74 C 17.44 -8.80 C 18.72 -9.48 C 14.97 -8.80 C 16.21 -9.48 C 13.72 -9.48 C 11.23 -13.81 C 12.48 -13.10 C 13.72 -10.93 C 14.97 -11.67 C 12.48 -11.67 25 1 -2 26 2 -1 3 19 2 4 18 1 24 5 -2 24 6 -1 28 7 -2 8 20 2 9 21 2 23 10 -1 27 11 -1 12 22 2 12 27 1 13 14 1 13 15 1 14 24 1 15 28 1 16 17 1 16 25 1 17 27 1 18 20 1 19 20 1 19 22 1 21 22 1 21 23 1 23 26 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 30 H 12.48 -14.02 H 13.72 -11.94 C:129 17.44 -7.36 C:52 21.12 -9.42 C:22 10.19 -14.79 C:34 12.22 -14.89 C:18 12.48 -10.21 O 18.72 -10.89 O 14.97 -7.39 O 12.48 -8.73 O 14.97 -10.26 C:151 16.21 -10.93 C:18 10.00 -11.67 C:42 10.00 -13.10 C:39 11.23 -10.93 C:19 13.72 -13.81 C:41 14.97 -13.10 O 19.88 -8.74 C:137 17.44 -8.80 C 18.72 -9.48 C:198 14.97 -8.80 C:137 16.21 -9.48 C:72 13.72 -9.48 C:33 11.23 -13.81 C:54 12.48 -13.10 C:61 13.72 -10.93 C:70 14.97 -11.67 C:38 12.48 -11.67 25 1 -2 26 2 -1 3 19 2 4 18 1 24 5 -2 24 6 -1 28 7 -2 8 20 2 9 21 2 23 10 -1 27 11 -1 12 22 2 12 27 1 13 14 1 13 15 1 14 24 1 15 28 1 16 17 1 16 25 1 17 27 1 18 20 1 19 20 1 19 22 1 21 22 1 21 23 1 23 26 1 24 25 1 25 28 1 26 27 1 26 28 1', 'C21H30O5', 362.238, 'C', 'ph41_1149_9', 1559, '', '', '1', 36, NULL, NULL),
(8351, 'Jatrowedione ', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@:15]14[CH:1]=[C:2]([CH3:16])[C:3](=O)[C@@:4]1([H])[C@@H:5]2O[C@:6]2([CH3:17])[CH2:7][CH2:8][C@:9]3([H])[C@@:10]([CH3:19])([CH3:18])[C@:11]3([H])[CH2:12][C@@H:13]([CH3:20])[C:14]4=O', '[H][C@]14C=C(C)C(=O)[C@@]1([H])[C@@H]2O[C@]2(C)CC[C@]3([H])[C@@](C)(C)[C@]3([H])C[C@@H](C)C4=O', '[H][C@:52]14[CH:156]=[C:141]([CH3:10])[C:212](=O)[C@@:48]1([H])[C@@H:79]2O[C@:74]2([CH3:26])[CH2:41][CH2:19][C@:29]3([H])[C@@:16]([CH3:15])([CH3:29])[C@:20]3([H])[CH2:28][C@@H:44]([CH3:13])[C:211]4=O', '27 30 H 12.95 -10.37 H 20.42 -9.91 H 17.74 -8.63 H 14.57 -13.28 C:16 10.40 -13.34 C:20 15.93 -7.84 C:19 20.76 -8.41 C:18 19.01 -7.40 C:17 17.56 -10.79 O 13.05 -14.84 O 13.26 -8.54 C:1 11.97 -11.22 C:7 18.09 -12.53 C:8 19.42 -11.77 C:12 16.80 -10.06 O 15.60 -11.30 C:2 11.71 -12.73 C:3 13.05 -13.42 C:14 14.13 -9.64 C:13 15.60 -9.32 C:5 15.60 -12.73 C:10 19.42 -8.78 C:15 13.49 -11.02 C:6 16.80 -11.98 C:9 19.42 -10.26 C:11 18.09 -9.51 C:4 14.13 -12.37 23 1 -1 25 2 -2 26 3 -2 27 4 -1 5 17 1 20 6 -2 22 7 -1 22 8 -2 24 9 -1 10 18 2 11 19 2 12 17 2 12 23 1 13 14 1 13 24 1 14 25 1 15 20 1 15 26 1 21 16 -2 16 24 1 17 18 1 18 27 1 19 20 1 19 23 1 21 24 1 21 27 1 22 25 1 22 26 1 23 27 1 25 26 1', '27 30 H 12.95 -10.37 H 20.42 -9.91 H 17.74 -8.63 H 14.57 -13.28 C 10.40 -13.34 C 15.93 -7.84 C 20.76 -8.41 C 19.01 -7.40 C 17.56 -10.79 O 13.05 -14.84 O 13.26 -8.54 C 11.97 -11.22 C 18.09 -12.53 C 19.42 -11.77 C 16.80 -10.06 O 15.60 -11.30 C 11.71 -12.73 C 13.05 -13.42 C 14.13 -9.64 C 15.60 -9.32 C 15.60 -12.73 C 19.42 -8.78 C 13.49 -11.02 C 16.80 -11.98 C 19.42 -10.26 C 18.09 -9.51 C 14.13 -12.37 23 1 -1 25 2 -2 26 3 -2 27 4 -1 5 17 1 20 6 -2 22 7 -1 22 8 -2 24 9 -1 10 18 2 11 19 2 12 17 2 12 23 1 13 14 1 13 24 1 14 25 1 15 20 1 15 26 1 21 16 -2 16 24 1 17 18 1 18 27 1 19 20 1 19 23 1 21 24 1 21 27 1 22 25 1 22 26 1 23 27 1 25 26 1', '27 30 H 12.95 -10.37 H 20.42 -9.91 H 17.74 -8.63 H 14.57 -13.28 C:10 10.40 -13.34 C:13 15.93 -7.84 C:15 20.76 -8.41 C:29 19.01 -7.40 C:26 17.56 -10.79 O 13.05 -14.84 O 13.26 -8.54 C:156 11.97 -11.22 C:41 18.09 -12.53 C:19 19.42 -11.77 C:28 16.80 -10.06 O 15.60 -11.30 C:141 11.71 -12.73 C:212 13.05 -13.42 C:211 14.13 -9.64 C:44 15.60 -9.32 C:79 15.60 -12.73 C:16 19.42 -8.78 C:52 13.49 -11.02 C:74 16.80 -11.98 C:29 19.42 -10.26 C:20 18.09 -9.51 C:48 14.13 -12.37 23 1 -1 25 2 -2 26 3 -2 27 4 -1 5 17 1 20 6 -2 22 7 -1 22 8 -2 24 9 -1 10 18 2 11 19 2 12 17 2 12 23 1 13 14 1 13 24 1 14 25 1 15 20 1 15 26 1 21 16 -2 16 24 1 17 18 1 18 27 1 19 20 1 19 23 1 21 24 1 21 27 1 22 25 1 22 26 1 23 27 1 25 26 1', 'C20H28O3', 316.244, 'C', 'ph48_1225_1', 1559, '', '', '1', 36, NULL, NULL),
(8352, 'Jatrogrossidione', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@:9]34[CH2:8][CH2:7][C@@:6]1([CH3:17])O[C@H:5]1[C@:4]2([H])[C:3](=O)[C:2]([CH3:16])=[CH:1][C@:15]2(O)[C:14](=O)[C@H:13]([CH3:20])[CH2:12][C@@:11]3([H])[C@:10]4([CH3:19])[CH3:18]', '[H][C@]34CC[C@@]1(C)O[C@H]1[C@]2([H])C(=O)C(C)=C[C@]2(O)C(=O)[C@H](C)C[C@@]3([H])[C@]4(C)C', '[H][C@:29]34[CH2:18][CH2:41][C@@:59]1([CH3:18])O[C@H:58]1[C@:62]2([H])[C:203](=O)[C:143]([CH3:10])=[CH:153][C@:86]2(O)[C:214](=O)[C@H:38]([CH3:15])[CH2:24][C@@:19]3([H])[C@:17]4([CH3:15])[CH3:28]', '27 30 H 20.36 -9.94 H 17.72 -8.68 H 14.59 -13.26 C:16 10.48 -13.32 C:20 15.94 -7.90 C:19 20.70 -8.46 C:18 18.97 -7.46 C:17 17.54 -10.80 O 13.10 -14.80 O 13.30 -8.57 O 12.69 -9.89 C:1 12.03 -11.23 C:7 18.07 -12.53 C:8 19.38 -11.77 C:12 16.79 -10.09 O 15.61 -11.31 C:2 11.77 -12.71 C:3 13.09 -13.40 C:14 14.16 -9.67 C:13 15.61 -9.35 C:5 15.61 -12.71 C:10 19.35 -8.82 C:6 16.79 -11.98 C:9 19.38 -10.29 C:11 18.07 -9.54 C:4 14.16 -12.37 C:15 13.53 -11.03 24 1 -2 25 2 -2 26 3 -1 4 17 1 20 5 -2 22 6 -1 22 7 -2 23 8 -1 9 18 2 10 19 2 27 11 -1 12 17 2 12 27 1 13 14 1 13 23 1 14 24 1 15 20 1 15 25 1 21 16 -2 16 23 1 17 18 1 18 26 1 19 20 1 19 27 1 21 23 1 21 26 1 22 24 1 22 25 1 24 25 1 26 27 1', '27 30 H 20.36 -9.94 H 17.72 -8.68 H 14.59 -13.26 C 10.48 -13.32 C 15.94 -7.90 C 20.70 -8.46 C 18.97 -7.46 C 17.54 -10.80 O 13.10 -14.80 O 13.30 -8.57 O 12.69 -9.89 C 12.03 -11.23 C 18.07 -12.53 C 19.38 -11.77 C 16.79 -10.09 O 15.61 -11.31 C 11.77 -12.71 C 13.09 -13.40 C 14.16 -9.67 C 15.61 -9.35 C 15.61 -12.71 C 19.35 -8.82 C 16.79 -11.98 C 19.38 -10.29 C 18.07 -9.54 C 14.16 -12.37 C 13.53 -11.03 24 1 -2 25 2 -2 26 3 -1 4 17 1 20 5 -2 22 6 -1 22 7 -2 23 8 -1 9 18 2 10 19 2 27 11 -1 12 17 2 12 27 1 13 14 1 13 23 1 14 24 1 15 20 1 15 25 1 21 16 -2 16 23 1 17 18 1 18 26 1 19 20 1 19 27 1 21 23 1 21 26 1 22 24 1 22 25 1 24 25 1 26 27 1', '27 30 H 20.36 -9.94 H 17.72 -8.68 H 14.59 -13.26 C:10 10.48 -13.32 C:15 15.94 -7.90 C:15 20.70 -8.46 C:28 18.97 -7.46 C:18 17.54 -10.80 O 13.10 -14.80 O 13.30 -8.57 O 12.69 -9.89 C:153 12.03 -11.23 C:41 18.07 -12.53 C:18 19.38 -11.77 C:24 16.79 -10.09 O 15.61 -11.31 C:143 11.77 -12.71 C:203 13.09 -13.40 C:214 14.16 -9.67 C:38 15.61 -9.35 C:58 15.61 -12.71 C:17 19.35 -8.82 C:59 16.79 -11.98 C:29 19.38 -10.29 C:19 18.07 -9.54 C:62 14.16 -12.37 C:86 13.53 -11.03 24 1 -2 25 2 -2 26 3 -1 4 17 1 20 5 -2 22 6 -1 22 7 -2 23 8 -1 9 18 2 10 19 2 27 11 -1 12 17 2 12 27 1 13 14 1 13 23 1 14 24 1 15 20 1 15 25 1 21 16 -2 16 23 1 17 18 1 18 26 1 19 20 1 19 27 1 21 23 1 21 26 1 22 24 1 22 25 1 24 25 1 26 27 1', 'C20H28O4', 332.235, 'C', 'ph48_1225_2', 1559, '', '', '1', 36, NULL, NULL),
(8356, '', 'Ingol-3,8,12-triacetate-8-isovalerate', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]23[C@@H:12](O[C:12001]([CH3:12002])=O)[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]14[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH2:7003][CH3:7004])[C@@H:8](O[C:8001]([CH3:8002])=O)[C@:9]2([H])[C@@:10]3([CH3:19])[CH3:18])O4', '[H][C@@]23[C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]14C[C@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](OC(=O)C(C)CC)[C@@H](OC(C)=O)[C@]2([H])[C@@]3(C)C)O4', '[H][C@@:31]23[C@@H:71](O[C:170]([CH3:21])=O)[C@@H:43]([CH3:13])[C:208](=O)[C@@:71]14[CH2:32][C@H:30]([CH3:17])[C@H:77](O[C:171]([CH3:21])=O)[C@:73]1([CH:117]=[C:140]([CH3:18])[C@@H:76](O[C:172](=O)[CH:44]([CH3:22])[CH2:26][CH3:22])[C@@H:72](O[C:170]([CH3:21])=O)[C@:25]2([H])[C@@:19]3([CH3:16])[CH3:29])O4', '43 46 H 16.60 -7.61 H 19.11 -8.85 C:7004 14.41 -16.98 C:12002 15.00 -5.26 C:3002 11.14 -15.88 C:8002 21.74 -11.34 C:17 14.71 -9.64 C:7201 16.85 -15.58 C:16 9.44 -12.15 C:20 14.52 -6.86 C:19 19.44 -7.41 C:18 17.93 -6.34 O 17.10 -5.99 O 9.85 -13.96 O 20.53 -9.26 O 14.41 -12.76 O 12.16 -7.49 C:5 14.41 -11.55 C:7003 14.41 -15.58 C:1 10.95 -10.10 O 15.58 -7.67 O 12.21 -13.59 O 19.33 -11.35 O 16.85 -12.76 O 13.78 -10.04 C:12001 15.91 -6.34 C:3001 11.14 -14.47 C:8001 20.53 -10.65 C:6 15.62 -10.63 C:7001 15.62 -13.46 C:14 13.03 -8.60 C:7002 15.62 -14.86 C:2 10.69 -11.55 C:13 14.41 -8.28 C:7 16.85 -11.38 C:12 15.58 -9.19 C:3 11.99 -12.23 C:8 18.14 -10.63 C:10 18.14 -7.74 C:11 16.85 -8.46 C:9 18.14 -9.19 C:4 13.03 -11.22 C:15 12.40 -9.91 40 1 -2 41 2 -2 3 19 1 4 26 1 5 27 1 6 28 1 7 29 1 8 32 1 33 9 -1 34 10 -2 39 11 -1 39 12 -2 13 26 2 14 27 2 15 28 2 16 30 2 17 31 2 18 29 2 18 42 1 19 32 1 20 33 1 20 43 1 21 26 1 36 21 -2 22 27 1 37 22 -1 23 28 1 38 23 -2 24 30 1 35 24 -2 42 25 -1 43 25 -1 29 35 1 30 32 1 31 34 1 31 43 1 33 37 1 34 36 1 35 38 1 36 40 1 37 42 1 38 41 1 39 40 1 39 41 1 40 41 1 42 43 1', '43 46 H 16.60 -7.61 H 19.11 -8.85 C 14.41 -16.98 C 15.00 -5.26 C 11.14 -15.88 C 21.74 -11.34 C 14.71 -9.64 C 16.85 -15.58 C 9.44 -12.15 C 14.52 -6.86 C 19.44 -7.41 C 17.93 -6.34 O 17.10 -5.99 O 9.85 -13.96 O 20.53 -9.26 O 14.41 -12.76 O 12.16 -7.49 C 14.41 -11.55 C 14.41 -15.58 C 10.95 -10.10 O 15.58 -7.67 O 12.21 -13.59 O 19.33 -11.35 O 16.85 -12.76 O 13.78 -10.04 C 15.91 -6.34 C 11.14 -14.47 C 20.53 -10.65 C 15.62 -10.63 C 15.62 -13.46 C 13.03 -8.60 C 15.62 -14.86 C 10.69 -11.55 C 14.41 -8.28 C 16.85 -11.38 C 15.58 -9.19 C 11.99 -12.23 C 18.14 -10.63 C 18.14 -7.74 C 16.85 -8.46 C 18.14 -9.19 C 13.03 -11.22 C 12.40 -9.91 40 1 -2 41 2 -2 3 19 1 4 26 1 5 27 1 6 28 1 7 29 1 8 32 1 33 9 -1 34 10 -2 39 11 -1 39 12 -2 13 26 2 14 27 2 15 28 2 16 30 2 17 31 2 18 29 2 18 42 1 19 32 1 20 33 1 20 43 1 21 26 1 36 21 -2 22 27 1 37 22 -1 23 28 1 38 23 -2 24 30 1 35 24 -2 42 25 -1 43 25 -1 29 35 1 30 32 1 31 34 1 31 43 1 33 37 1 34 36 1 35 38 1 36 40 1 37 42 1 38 41 1 39 40 1 39 41 1 40 41 1 42 43 1', '43 46 H 16.60 -7.61 H 19.11 -8.85 C:22 14.41 -16.98 C:21 15.00 -5.26 C:21 11.14 -15.88 C:21 21.74 -11.34 C:18 14.71 -9.64 C:22 16.85 -15.58 C:17 9.44 -12.15 C:13 14.52 -6.86 C:16 19.44 -7.41 C:29 17.93 -6.34 O 17.10 -5.99 O 9.85 -13.96 O 20.53 -9.26 O 14.41 -12.76 O 12.16 -7.49 C:117 14.41 -11.55 C:26 14.41 -15.58 C:32 10.95 -10.10 O 15.58 -7.67 O 12.21 -13.59 O 19.33 -11.35 O 16.85 -12.76 O 13.78 -10.04 C:170 15.91 -6.34 C:171 11.14 -14.47 C:170 20.53 -10.65 C:140 15.62 -10.63 C:172 15.62 -13.46 C:208 13.03 -8.60 C:44 15.62 -14.86 C:30 10.69 -11.55 C:43 14.41 -8.28 C:76 16.85 -11.38 C:71 15.58 -9.19 C:77 11.99 -12.23 C:72 18.14 -10.63 C:19 18.14 -7.74 C:31 16.85 -8.46 C:25 18.14 -9.19 C:73 13.03 -11.22 C:71 12.40 -9.91 40 1 -2 41 2 -2 3 19 1 4 26 1 5 27 1 6 28 1 7 29 1 8 32 1 33 9 -1 34 10 -2 39 11 -1 39 12 -2 13 26 2 14 27 2 15 28 2 16 30 2 17 31 2 18 29 2 18 42 1 19 32 1 20 33 1 20 43 1 21 26 1 36 21 -2 22 27 1 37 22 -1 23 28 1 38 23 -2 24 30 1 35 24 -2 42 25 -1 43 25 -1 29 35 1 30 32 1 31 34 1 31 43 1 33 37 1 34 36 1 35 38 1 36 40 1 37 42 1 38 41 1 39 40 1 39 41 1 40 41 1 42 43 1', 'C31H44O10', 576.342, 'C', 'ph49_1095_4', 1452, '', '', '1', 36, NULL, NULL),
(8359, '', '3,12-Diacetyl-8-benzoylingol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]34[C@@H:12](O[C:12001]([CH3:12002])=O)[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]15[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O)[C@@H:8](O[C:8001](=O)[c:8002]2[cH:8003][cH:8004][cH:8005][cH:8006][cH:8007]2)[C@:9]3([H])[C@@:10]4([CH3:19])[CH3:18])O5', '[H][C@@]34[C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]15C[C@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](O)[C@@H](OC(=O)c2ccccc2)[C@]3([H])[C@@]4(C)C)O5', '[H][C@@:31]34[C@@H:75](O[C:170]([CH3:21])=O)[C@@H:43]([CH3:13])[C:207](=O)[C@@:71]15[CH2:32][C@H:30]([CH3:16])[C@H:78](O[C:171]([CH3:21])=O)[C@:74]1([CH:117]=[C:141]([CH3:17])[C@@H:76](O)[C@@H:71](O[C:166](=O)[c:133]2[cH:130][cH:130][cH:128][cH:130][cH:130]2)[C@:24]3([H])[C@@:19]4([CH3:17])[CH3:29])O5', '42 46 H 15.40 -8.21 H 17.92 -9.43 C:3002 9.92 -16.48 C:12002 13.81 -5.84 C:17 13.52 -10.21 C:16 8.22 -12.74 C:20 13.33 -7.44 C:19 18.25 -8.00 C:18 16.73 -6.91 O 8.63 -14.56 O 15.90 -6.57 O 19.33 -9.83 O 10.96 -8.09 O 15.64 -13.36 C:5 13.25 -12.13 C:8005 22.96 -13.30 C:8004 22.96 -11.90 C:8006 21.78 -14.01 C:8003 21.76 -11.21 C:8007 20.56 -13.32 C:1 9.73 -10.68 O 11.01 -14.19 O 14.39 -8.27 O 18.14 -11.93 O 12.59 -10.61 C:3001 9.92 -15.07 C:12001 14.73 -6.91 C:6 14.39 -11.21 C:8001 19.33 -11.23 C:14 11.82 -9.18 C:8002 20.55 -11.92 C:2 9.47 -12.13 C:13 13.25 -8.87 C:7 15.64 -11.96 C:3 10.78 -12.82 C:12 14.39 -9.77 C:8 16.94 -11.21 C:10 16.94 -8.34 C:11 15.64 -9.05 C:9 16.94 -9.77 C:4 11.82 -11.80 C:15 11.19 -10.48 39 1 -2 40 2 -2 3 26 1 4 27 1 5 28 1 32 6 -1 33 7 -2 38 8 -1 38 9 -2 10 26 2 11 27 2 12 29 2 13 30 2 34 14 -2 15 28 2 15 41 1 16 17 2 16 18 1 17 19 1 18 20 2 19 31 2 20 31 1 21 32 1 21 42 1 22 26 1 35 22 -1 23 27 1 36 23 -2 24 29 1 37 24 -2 41 25 -1 42 25 -1 28 34 1 29 31 1 30 33 1 30 42 1 32 35 1 33 36 1 34 37 1 35 41 1 36 39 1 37 40 1 38 39 1 38 40 1 39 40 1 41 42 1', '42 46 H 15.40 -8.21 H 17.92 -9.43 C 9.92 -16.48 C 13.81 -5.84 C 13.52 -10.21 C 8.22 -12.74 C 13.33 -7.44 C 18.25 -8.00 C 16.73 -6.91 O 8.63 -14.56 O 15.90 -6.57 O 19.33 -9.83 O 10.96 -8.09 O 15.64 -13.36 C 13.25 -12.13 C 22.96 -13.30 C 22.96 -11.90 C 21.78 -14.01 C 21.76 -11.21 C 20.56 -13.32 C 9.73 -10.68 O 11.01 -14.19 O 14.39 -8.27 O 18.14 -11.93 O 12.59 -10.61 C 9.92 -15.07 C 14.73 -6.91 C 14.39 -11.21 C 19.33 -11.23 C 11.82 -9.18 C 20.55 -11.92 C 9.47 -12.13 C 13.25 -8.87 C 15.64 -11.96 C 10.78 -12.82 C 14.39 -9.77 C 16.94 -11.21 C 16.94 -8.34 C 15.64 -9.05 C 16.94 -9.77 C 11.82 -11.80 C 11.19 -10.48 39 1 -2 40 2 -2 3 26 1 4 27 1 5 28 1 32 6 -1 33 7 -2 38 8 -1 38 9 -2 10 26 2 11 27 2 12 29 2 13 30 2 34 14 -2 15 28 2 15 41 1 16 17 2 16 18 1 17 19 1 18 20 2 19 31 2 20 31 1 21 32 1 21 42 1 22 26 1 35 22 -1 23 27 1 36 23 -2 24 29 1 37 24 -2 41 25 -1 42 25 -1 28 34 1 29 31 1 30 33 1 30 42 1 32 35 1 33 36 1 34 37 1 35 41 1 36 39 1 37 40 1 38 39 1 38 40 1 39 40 1 41 42 1', '42 46 H 15.40 -8.21 H 17.92 -9.43 C:21 9.92 -16.48 C:21 13.81 -5.84 C:17 13.52 -10.21 C:16 8.22 -12.74 C:13 13.33 -7.44 C:17 18.25 -8.00 C:29 16.73 -6.91 O 8.63 -14.56 O 15.90 -6.57 O 19.33 -9.83 O 10.96 -8.09 O 15.64 -13.36 C:117 13.25 -12.13 C:128 22.96 -13.30 C:130 22.96 -11.90 C:130 21.78 -14.01 C:130 21.76 -11.21 C:130 20.56 -13.32 C:32 9.73 -10.68 O 11.01 -14.19 O 14.39 -8.27 O 18.14 -11.93 O 12.59 -10.61 C:171 9.92 -15.07 C:170 14.73 -6.91 C:141 14.39 -11.21 C:166 19.33 -11.23 C:207 11.82 -9.18 C:133 20.55 -11.92 C:30 9.47 -12.13 C:43 13.25 -8.87 C:76 15.64 -11.96 C:78 10.78 -12.82 C:75 14.39 -9.77 C:71 16.94 -11.21 C:19 16.94 -8.34 C:31 15.64 -9.05 C:24 16.94 -9.77 C:74 11.82 -11.80 C:71 11.19 -10.48 39 1 -2 40 2 -2 3 26 1 4 27 1 5 28 1 32 6 -1 33 7 -2 38 8 -1 38 9 -2 10 26 2 11 27 2 12 29 2 13 30 2 34 14 -2 15 28 2 15 41 1 16 17 2 16 18 1 17 19 1 18 20 2 19 31 2 20 31 1 21 32 1 21 42 1 22 26 1 35 22 -1 23 27 1 36 23 -2 24 29 1 37 24 -2 41 25 -1 42 25 -1 28 34 1 29 31 1 30 33 1 30 42 1 32 35 1 33 36 1 34 37 1 35 41 1 36 39 1 37 40 1 38 39 1 38 40 1 39 40 1 41 42 1', 'C31H38O9', 554.342, 'C', 'ph59_331_4', 1866, '', '', '1', 36, NULL, NULL),
(8360, '', '3,12-diacetyl-7-benzoyl-8-nicotinylingol', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]45[C@@H:12](O[C:12001]([CH3:12002])=O)[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]16[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]1([CH:5]=[C:6]([CH3:17])[C@@H:7](O[C:7001](=O)[c:7002]2[cH:7007][cH:7006][cH:7005][cH:7004][cH:7003]2)[C@@H:8](O[C:8001](=O)[c:8002]3[cH:8006][cH:8005][cH:8004]n[cH:8003]3)[C@:9]4([H])[C@:10]5([CH3:18])[CH3:19])O6', '[H][C@@]45[C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]16C[C@H](C)[C@H](OC(C)=O)[C@]1(C=C(C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c3cccnc3)[C@]4([H])[C@]5(C)C)O6', '[H][C@@:25]45[C@@H:70](O[C:170]([CH3:20])=O)[C@@H:43]([CH3:13])[C:207](=O)[C@@:71]16[CH2:32][C@H:30]([CH3:17])[C@H:77](O[C:170]([CH3:21])=O)[C@:73]1([CH:118]=[C:139]([CH3:18])[C@@H:77](O[C:165](=O)[c:133]2[cH:130][cH:128][cH:130][cH:129][cH:130]2)[C@@H:73](O[C:164](=O)[c:124]3[cH:126][cH:137][cH:153]n[cH:151]3)[C@:31]4([H])[C@:20]5([CH3:29])[CH3:16])O6', '50 55 H 15.35 -7.32 H 17.87 -8.54 C:12002 13.76 -4.95 C:3002 9.87 -15.59 C:17 13.47 -9.32 C:16 8.17 -11.85 C:20 13.28 -6.55 C:18 16.68 -6.02 C:19 18.20 -7.11 O 15.85 -5.68 O 8.58 -13.67 O 13.17 -12.47 O 19.28 -8.94 O 10.91 -7.20 C:5 13.20 -11.24 C:7005 14.38 -17.37 C:7006 13.17 -16.66 C:7004 15.59 -16.66 C:8005 21.73 -13.12 C:8004 22.91 -12.41 C:7007 13.17 -15.27 C:7003 15.59 -15.27 C:8006 20.51 -12.43 C:8003 21.71 -10.32 C:1 9.68 -9.79 N 22.91 -11.01 O 14.34 -7.38 O 10.96 -13.30 O 15.59 -12.47 O 18.09 -11.04 O 12.54 -9.72 C:12001 14.68 -6.02 C:3001 9.87 -14.18 C:6 14.34 -10.32 C:7001 14.38 -13.17 C:8001 19.28 -10.34 C:14 11.77 -8.29 C:7002 14.38 -14.57 C:8002 20.50 -11.03 C:2 9.42 -11.24 C:13 13.20 -7.98 C:7 15.59 -11.07 C:12 14.34 -8.88 C:3 10.73 -11.93 C:8 16.89 -10.32 C:10 16.89 -7.45 C:11 15.59 -8.16 C:9 16.89 -8.88 C:4 11.77 -10.91 C:15 11.14 -9.59 47 1 -2 48 2 -2 3 32 1 4 33 1 5 34 1 40 6 -1 41 7 -2 46 8 -2 46 9 -1 10 32 2 11 33 2 12 35 2 13 36 2 14 37 2 15 34 2 15 49 1 16 17 1 16 18 2 17 21 2 18 22 1 19 20 1 19 23 2 20 26 2 21 38 1 22 38 2 23 39 1 24 26 1 24 39 2 25 40 1 25 50 1 27 32 1 43 27 -2 28 33 1 44 28 -1 29 35 1 42 29 -2 30 36 1 45 30 -2 49 31 -1 50 31 -1 34 42 1 35 38 1 36 39 1 37 41 1 37 50 1 40 44 1 41 43 1 42 45 1 43 47 1 44 49 1 45 48 1 46 47 1 46 48 1 47 48 1 49 50 1', '50 55 H 15.35 -7.32 H 17.87 -8.54 C 13.76 -4.95 C 9.87 -15.59 C 13.47 -9.32 C 8.17 -11.85 C 13.28 -6.55 C 16.68 -6.02 C 18.20 -7.11 O 15.85 -5.68 O 8.58 -13.67 O 13.17 -12.47 O 19.28 -8.94 O 10.91 -7.20 C 13.20 -11.24 C 14.38 -17.37 C 13.17 -16.66 C 15.59 -16.66 C 21.73 -13.12 C 22.91 -12.41 C 13.17 -15.27 C 15.59 -15.27 C 20.51 -12.43 C 21.71 -10.32 C 9.68 -9.79 N 22.91 -11.01 O 14.34 -7.38 O 10.96 -13.30 O 15.59 -12.47 O 18.09 -11.04 O 12.54 -9.72 C 14.68 -6.02 C 9.87 -14.18 C 14.34 -10.32 C 14.38 -13.17 C 19.28 -10.34 C 11.77 -8.29 C 14.38 -14.57 C 20.50 -11.03 C 9.42 -11.24 C 13.20 -7.98 C 15.59 -11.07 C 14.34 -8.88 C 10.73 -11.93 C 16.89 -10.32 C 16.89 -7.45 C 15.59 -8.16 C 16.89 -8.88 C 11.77 -10.91 C 11.14 -9.59 47 1 -2 48 2 -2 3 32 1 4 33 1 5 34 1 40 6 -1 41 7 -2 46 8 -2 46 9 -1 10 32 2 11 33 2 12 35 2 13 36 2 14 37 2 15 34 2 15 49 1 16 17 1 16 18 2 17 21 2 18 22 1 19 20 1 19 23 2 20 26 2 21 38 1 22 38 2 23 39 1 24 26 1 24 39 2 25 40 1 25 50 1 27 32 1 43 27 -2 28 33 1 44 28 -1 29 35 1 42 29 -2 30 36 1 45 30 -2 49 31 -1 50 31 -1 34 42 1 35 38 1 36 39 1 37 41 1 37 50 1 40 44 1 41 43 1 42 45 1 43 47 1 44 49 1 45 48 1 46 47 1 46 48 1 47 48 1 49 50 1', '50 55 H 15.35 -7.32 H 17.87 -8.54 C:20 13.76 -4.95 C:21 9.87 -15.59 C:18 13.47 -9.32 C:17 8.17 -11.85 C:13 13.28 -6.55 C:29 16.68 -6.02 C:16 18.20 -7.11 O 15.85 -5.68 O 8.58 -13.67 O 13.17 -12.47 O 19.28 -8.94 O 10.91 -7.20 C:118 13.20 -11.24 C:130 14.38 -17.37 C:128 13.17 -16.66 C:129 15.59 -16.66 C:137 21.73 -13.12 C:153 22.91 -12.41 C:130 13.17 -15.27 C:130 15.59 -15.27 C:126 20.51 -12.43 C:151 21.71 -10.32 C:32 9.68 -9.79 N 22.91 -11.01 O 14.34 -7.38 O 10.96 -13.30 O 15.59 -12.47 O 18.09 -11.04 O 12.54 -9.72 C:170 14.68 -6.02 C:170 9.87 -14.18 C:139 14.34 -10.32 C:165 14.38 -13.17 C:164 19.28 -10.34 C:207 11.77 -8.29 C:133 14.38 -14.57 C:124 20.50 -11.03 C:30 9.42 -11.24 C:43 13.20 -7.98 C:77 15.59 -11.07 C:70 14.34 -8.88 C:77 10.73 -11.93 C:73 16.89 -10.32 C:20 16.89 -7.45 C:25 15.59 -8.16 C:31 16.89 -8.88 C:73 11.77 -10.91 C:71 11.14 -9.59 47 1 -2 48 2 -2 3 32 1 4 33 1 5 34 1 40 6 -1 41 7 -2 46 8 -2 46 9 -1 10 32 2 11 33 2 12 35 2 13 36 2 14 37 2 15 34 2 15 49 1 16 17 1 16 18 2 17 21 2 18 22 1 19 20 1 19 23 2 20 26 2 21 38 1 22 38 2 23 39 1 24 26 1 24 39 2 25 40 1 25 50 1 27 32 1 43 27 -2 28 33 1 44 28 -1 29 35 1 42 29 -2 30 36 1 45 30 -2 49 31 -1 50 31 -1 34 42 1 35 38 1 36 39 1 37 41 1 37 50 1 40 44 1 41 43 1 42 45 1 43 47 1 44 49 1 45 48 1 46 47 1 46 48 1 47 48 1 49 50 1', 'C37H41NO10', 659.413, 'C', 'ph59_331_5', 1866, '', '', '1', 36, NULL, NULL),
(8361, '', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@:9]23[CH2:8][CH2:7][C@@:6]([CH3:17])(O)[CH:5]=[C:4]1[C:3](=O)[C:2]([CH3:16])=[CH:1][C@@:15]1(O[C:15001]([CH3:15002])=O)[C:14](=O)[C@H:13]([CH3:20])[CH2:12][C@@:11]2([H])[C@:10]3([CH3:19])[CH3:18]', '[H][C@]23CC[C@@](C)(O)C=C1C(=O)C(C)=C[C@@]1(OC(C)=O)C(=O)[C@H](C)C[C@@]2([H])[C@]3(C)C', '[H][C@:28]23[CH2:20][CH2:41][C@@:75]([CH3:30])(O)[CH:148]=[C:132]1[C:194](=O)[C:147]([CH3:11])=[CH:150][C@@:90]1(O[C:169]([CH3:22])=O)[C:202](=O)[C@H:39]([CH3:17])[CH2:30][C@@:19]2([H])[C@:17]3([CH3:15])[CH3:28]', '29 31 H 20.28 -9.94 H 17.67 -8.69 C:15002 10.57 -8.76 C:16 10.50 -13.29 C:20 15.90 -7.92 C:17 17.50 -10.79 C:19 20.61 -8.48 C:18 18.91 -7.49 O 10.64 -11.18 O 13.07 -14.75 O 13.29 -8.59 O 15.74 -10.99 C:1 12.02 -11.22 C:5 15.58 -12.68 C:7 18.02 -12.51 C:8 19.31 -11.75 C:12 16.75 -10.09 O 12.67 -9.94 C:15001 11.30 -9.94 C:2 11.77 -12.68 C:3 13.07 -13.37 C:14 14.14 -9.67 C:4 14.14 -12.35 C:13 15.58 -9.36 C:6 16.75 -11.96 C:10 19.31 -8.83 C:9 19.31 -10.29 C:11 18.02 -9.55 C:15 13.51 -11.02 27 1 -2 28 2 -2 3 19 1 4 20 1 24 5 -2 25 6 -1 26 7 -1 26 8 -2 9 19 2 10 21 2 11 22 2 25 12 -2 13 20 2 13 29 1 14 23 2 14 25 1 15 16 1 15 25 1 16 27 1 17 24 1 17 28 1 18 19 1 29 18 -2 20 21 1 21 23 1 22 24 1 22 29 1 23 29 1 26 27 1 26 28 1 27 28 1', '29 31 H 20.28 -9.94 H 17.67 -8.69 C 10.57 -8.76 C 10.50 -13.29 C 15.90 -7.92 C 17.50 -10.79 C 20.61 -8.48 C 18.91 -7.49 O 10.64 -11.18 O 13.07 -14.75 O 13.29 -8.59 O 15.74 -10.99 C 12.02 -11.22 C 15.58 -12.68 C 18.02 -12.51 C 19.31 -11.75 C 16.75 -10.09 O 12.67 -9.94 C 11.30 -9.94 C 11.77 -12.68 C 13.07 -13.37 C 14.14 -9.67 C 14.14 -12.35 C 15.58 -9.36 C 16.75 -11.96 C 19.31 -8.83 C 19.31 -10.29 C 18.02 -9.55 C 13.51 -11.02 27 1 -2 28 2 -2 3 19 1 4 20 1 24 5 -2 25 6 -1 26 7 -1 26 8 -2 9 19 2 10 21 2 11 22 2 25 12 -2 13 20 2 13 29 1 14 23 2 14 25 1 15 16 1 15 25 1 16 27 1 17 24 1 17 28 1 18 19 1 29 18 -2 20 21 1 21 23 1 22 24 1 22 29 1 23 29 1 26 27 1 26 28 1 27 28 1', '29 31 H 20.28 -9.94 H 17.67 -8.69 C:22 10.57 -8.76 C:11 10.50 -13.29 C:17 15.90 -7.92 C:30 17.50 -10.79 C:15 20.61 -8.48 C:28 18.91 -7.49 O 10.64 -11.18 O 13.07 -14.75 O 13.29 -8.59 O 15.74 -10.99 C:150 12.02 -11.22 C:148 15.58 -12.68 C:41 18.02 -12.51 C:20 19.31 -11.75 C:30 16.75 -10.09 O 12.67 -9.94 C:169 11.30 -9.94 C:147 11.77 -12.68 C:194 13.07 -13.37 C:202 14.14 -9.67 C:132 14.14 -12.35 C:39 15.58 -9.36 C:75 16.75 -11.96 C:17 19.31 -8.83 C:28 19.31 -10.29 C:19 18.02 -9.55 C:90 13.51 -11.02 27 1 -2 28 2 -2 3 19 1 4 20 1 24 5 -2 25 6 -1 26 7 -1 26 8 -2 9 19 2 10 21 2 11 22 2 25 12 -2 13 20 2 13 29 1 14 23 2 14 25 1 15 16 1 15 25 1 16 27 1 17 24 1 17 28 1 18 19 1 29 18 -2 20 21 1 21 23 1 22 24 1 22 29 1 23 29 1 26 27 1 26 28 1 27 28 1', 'C22H30O5', 374.248, 'C', 'cpb04_608_1', 1867, '', '', '1', 36, NULL, NULL),
(8362, '15-O-Acetyl-15-epi-(4E)-jatrogrossidentadion', '', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:4]14[C:3](=O)[C:2]([CH3:16])=[CH:1][C:15]1=[C:14](O[C:14001]([CH3:14002])=O)[C@H:13]([CH3:20])[CH2:12][C@@:11]2([H])[C@:10]([CH3:19])([CH3:18])[C@@:9]2([H])[CH2:8][CH2:7][C@@:6]3([CH3:17])O[C@@H:5]34', '[H][C@@]14C(=O)C(C)=CC1=C(OC(C)=O)[C@H](C)C[C@@]2([H])[C@](C)(C)[C@@]2([H])CC[C@@]3(C)O[C@@H]34', '[H][C@@:45]14[C:204](=O)[C:142]([CH3:11])=[CH:150][C:125]1=[C:147](O[C:169]([CH3:21])=O)[C@H:35]([CH3:17])[CH2:29][C@@:19]2([H])[C@:17]([CH3:15])([CH3:29])[C@@:28]2([H])[CH2:19][CH2:41][C@@:59]3([CH3:24])O[C@@H:62]34', '29 32 H 14.58 -13.93 H 20.34 -10.61 H 17.72 -9.35 C:14002 12.96 -6.83 C:16 10.47 -13.99 C:20 15.94 -8.56 C:19 20.68 -9.13 C:18 18.95 -8.12 C:17 17.54 -11.47 O 15.21 -7.74 O 13.09 -15.46 C:1 12.02 -11.90 C:7 18.06 -13.20 C:8 19.36 -12.44 C:12 16.79 -10.76 O 13.29 -9.24 O 15.61 -11.98 C:14001 13.82 -7.93 C:2 11.76 -13.38 C:3 13.09 -14.07 C:15 13.52 -11.70 C:14 14.15 -10.34 C:13 15.61 -10.02 C:5 15.61 -13.38 C:10 19.36 -9.49 C:6 16.79 -12.65 C:4 14.15 -13.04 C:9 19.36 -10.96 C:11 18.06 -10.21 27 1 -1 28 2 -2 29 3 -2 4 18 1 5 19 1 23 6 -2 25 7 -1 25 8 -2 26 9 -1 10 18 2 11 20 2 12 19 2 12 21 1 13 14 1 13 26 1 14 28 1 15 23 1 15 29 1 16 18 1 16 22 1 24 17 -1 17 26 1 19 20 1 20 27 1 21 22 2 21 27 1 22 23 1 24 26 1 24 27 1 25 28 1 25 29 1 28 29 1', '29 32 H 14.58 -13.93 H 20.34 -10.61 H 17.72 -9.35 C 12.96 -6.83 C 10.47 -13.99 C 15.94 -8.56 C 20.68 -9.13 C 18.95 -8.12 C 17.54 -11.47 O 15.21 -7.74 O 13.09 -15.46 C 12.02 -11.90 C 18.06 -13.20 C 19.36 -12.44 C 16.79 -10.76 O 13.29 -9.24 O 15.61 -11.98 C 13.82 -7.93 C 11.76 -13.38 C 13.09 -14.07 C 13.52 -11.70 C 14.15 -10.34 C 15.61 -10.02 C 15.61 -13.38 C 19.36 -9.49 C 16.79 -12.65 C 14.15 -13.04 C 19.36 -10.96 C 18.06 -10.21 27 1 -1 28 2 -2 29 3 -2 4 18 1 5 19 1 23 6 -2 25 7 -1 25 8 -2 26 9 -1 10 18 2 11 20 2 12 19 2 12 21 1 13 14 1 13 26 1 14 28 1 15 23 1 15 29 1 16 18 1 16 22 1 24 17 -1 17 26 1 19 20 1 20 27 1 21 22 2 21 27 1 22 23 1 24 26 1 24 27 1 25 28 1 25 29 1 28 29 1', '29 32 H 14.58 -13.93 H 20.34 -10.61 H 17.72 -9.35 C:21 12.96 -6.83 C:11 10.47 -13.99 C:17 15.94 -8.56 C:15 20.68 -9.13 C:29 18.95 -8.12 C:24 17.54 -11.47 O 15.21 -7.74 O 13.09 -15.46 C:150 12.02 -11.90 C:41 18.06 -13.20 C:19 19.36 -12.44 C:29 16.79 -10.76 O 13.29 -9.24 O 15.61 -11.98 C:169 13.82 -7.93 C:142 11.76 -13.38 C:204 13.09 -14.07 C:125 13.52 -11.70 C:147 14.15 -10.34 C:35 15.61 -10.02 C:62 15.61 -13.38 C:17 19.36 -9.49 C:59 16.79 -12.65 C:45 14.15 -13.04 C:28 19.36 -10.96 C:19 18.06 -10.21 27 1 -1 28 2 -2 29 3 -2 4 18 1 5 19 1 23 6 -2 25 7 -1 25 8 -2 26 9 -1 10 18 2 11 20 2 12 19 2 12 21 1 13 14 1 13 26 1 14 28 1 15 23 1 15 29 1 16 18 1 16 22 1 24 17 -1 17 26 1 19 20 1 20 27 1 21 22 2 21 27 1 22 23 1 24 26 1 24 27 1 25 28 1 25 29 1 28 29 1', 'C22H30O4', 358.257, 'C', 'cpb04_608_2', 1867, '', '', '1', 36, NULL, NULL),
(8363, '', '', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[cH:14][c:13]([CH3:15])[c:12](O[CH3:12001])[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CC(=O)c1cc(C)c(OC)cc1[C@@]2(C)CC[C@H](OC(C)=O)[C@@]3(C)C', '[H][C@@:49]23[CH2:35][C:198](=O)[c:125]1[cH:130][c:156]([CH3:16])[c:163](O[CH3:56])[cH:104][c:124]1[C@@:38]2([CH3:23])[CH2:36][CH2:24][C@H:80](O[C:171]([CH3:21])=O)[C@@:38]3([CH3:16])[CH3:28]', '26 28 H 16.15 -14.36 C:12001 19.82 -7.09 C:3002 10.05 -14.19 C:15 21.07 -9.19 C:19 13.87 -15.12 C:18 15.89 -15.22 C:20 16.15 -10.58 O 11.23 -12.08 O 19.82 -14.16 C:14 19.84 -11.30 C:11 17.38 -9.86 C:2 13.68 -12.03 C:1 14.90 -11.30 C:6 17.38 -14.15 O 18.61 -7.79 O 12.47 -14.16 C:3001 11.25 -13.48 C:7 18.61 -13.45 C:13 19.84 -9.86 C:12 18.61 -9.19 C:8 18.61 -12.03 C:9 17.38 -11.30 C:3 13.68 -13.45 C:4 14.90 -14.15 C:10 16.15 -12.03 C:5 16.15 -13.45 26 1 -2 2 15 1 3 17 1 4 19 1 24 5 -1 24 6 -2 25 7 -1 8 17 2 9 18 2 10 19 2 10 21 1 11 20 2 11 22 1 12 13 1 12 23 1 13 25 1 14 18 1 14 26 1 15 20 1 16 17 1 23 16 -1 18 21 1 19 20 1 21 22 2 22 25 1 23 24 1 24 26 1 25 26 1', '26 28 H 16.15 -14.36 C 19.82 -7.09 C 10.05 -14.19 C 21.07 -9.19 C 13.87 -15.12 C 15.89 -15.22 C 16.15 -10.58 O 11.23 -12.08 O 19.82 -14.16 C 19.84 -11.30 C 17.38 -9.86 C 13.68 -12.03 C 14.90 -11.30 C 17.38 -14.15 O 18.61 -7.79 O 12.47 -14.16 C 11.25 -13.48 C 18.61 -13.45 C 19.84 -9.86 C 18.61 -9.19 C 18.61 -12.03 C 17.38 -11.30 C 13.68 -13.45 C 14.90 -14.15 C 16.15 -12.03 C 16.15 -13.45 26 1 -2 2 15 1 3 17 1 4 19 1 24 5 -1 24 6 -2 25 7 -1 8 17 2 9 18 2 10 19 2 10 21 1 11 20 2 11 22 1 12 13 1 12 23 1 13 25 1 14 18 1 14 26 1 15 20 1 16 17 1 23 16 -1 18 21 1 19 20 1 21 22 2 22 25 1 23 24 1 24 26 1 25 26 1', '26 28 H 16.15 -14.36 C:56 19.82 -7.09 C:21 10.05 -14.19 C:16 21.07 -9.19 C:16 13.87 -15.12 C:28 15.89 -15.22 C:23 16.15 -10.58 O 11.23 -12.08 O 19.82 -14.16 C:130 19.84 -11.30 C:104 17.38 -9.86 C:24 13.68 -12.03 C:36 14.90 -11.30 C:35 17.38 -14.15 O 18.61 -7.79 O 12.47 -14.16 C:171 11.25 -13.48 C:198 18.61 -13.45 C:156 19.84 -9.86 C:163 18.61 -9.19 C:125 18.61 -12.03 C:124 17.38 -11.30 C:80 13.68 -13.45 C:38 14.90 -14.15 C:38 16.15 -12.03 C:49 16.15 -13.45 26 1 -2 2 15 1 3 17 1 4 19 1 24 5 -1 24 6 -2 25 7 -1 8 17 2 9 18 2 10 19 2 10 21 1 11 20 2 11 22 1 12 13 1 12 23 1 13 25 1 14 18 1 14 26 1 15 20 1 16 17 1 23 16 -1 18 21 1 19 20 1 21 22 2 22 25 1 23 24 1 24 26 1 25 26 1', 'C21H28O4', 344.23, 'C', 'cpb04_608_3', 1867, '', '', '1', 36, NULL, NULL),
(8364, '', '3b,12-Dihydroxy-13-methylpodocarpane-8,10,13-triene', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([CH3:15])[c:12](O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][C@H:3](O)[C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CCc1cc(C)c(O)cc1[C@@]2(C)CC[C@H](O)[C@]3(C)C', '[H][C@@:50]23[CH2:19][CH2:30][c:127]1[cH:131][c:152]([CH3:15])[c:148](O)[cH:111][c:121]1[C@@:37]2([CH3:25])[CH2:37][CH2:28][C@H:79](O)[C@:39]3([CH3:28])[CH3:15]', '21 23 H 16.15 -14.36 C:15 21.07 -9.19 C:18 15.89 -15.22 C:19 13.87 -15.12 C:20 16.15 -10.58 O 18.61 -7.79 O 12.47 -14.16 C:14 19.84 -11.30 C:11 17.38 -9.86 C:7 18.61 -13.45 C:2 13.68 -12.03 C:6 17.38 -14.15 C:1 14.90 -11.30 C:13 19.84 -9.86 C:12 18.61 -9.19 C:8 18.61 -12.03 C:9 17.38 -11.30 C:3 13.68 -13.45 C:4 14.90 -14.15 C:5 16.15 -13.45 C:10 16.15 -12.03 20 1 -2 2 14 1 19 3 -2 19 4 -1 21 5 -1 6 15 1 18 7 -1 8 14 2 8 16 1 9 15 2 9 17 1 10 12 1 10 16 1 11 13 1 11 18 1 12 20 1 13 21 1 14 15 1 16 17 2 17 21 1 18 19 1 19 20 1 20 21 1', '21 23 H 16.15 -14.36 C 21.07 -9.19 C 15.89 -15.22 C 13.87 -15.12 C 16.15 -10.58 O 18.61 -7.79 O 12.47 -14.16 C 19.84 -11.30 C 17.38 -9.86 C 18.61 -13.45 C 13.68 -12.03 C 17.38 -14.15 C 14.90 -11.30 C 19.84 -9.86 C 18.61 -9.19 C 18.61 -12.03 C 17.38 -11.30 C 13.68 -13.45 C 14.90 -14.15 C 16.15 -13.45 C 16.15 -12.03 20 1 -2 2 14 1 19 3 -2 19 4 -1 21 5 -1 6 15 1 18 7 -1 8 14 2 8 16 1 9 15 2 9 17 1 10 12 1 10 16 1 11 13 1 11 18 1 12 20 1 13 21 1 14 15 1 16 17 2 17 21 1 18 19 1 19 20 1 20 21 1', '21 23 H 16.15 -14.36 C:15 21.07 -9.19 C:28 15.89 -15.22 C:15 13.87 -15.12 C:25 16.15 -10.58 O 18.61 -7.79 O 12.47 -14.16 C:131 19.84 -11.30 C:111 17.38 -9.86 C:30 18.61 -13.45 C:28 13.68 -12.03 C:19 17.38 -14.15 C:37 14.90 -11.30 C:152 19.84 -9.86 C:148 18.61 -9.19 C:127 18.61 -12.03 C:121 17.38 -11.30 C:79 13.68 -13.45 C:39 14.90 -14.15 C:50 16.15 -13.45 C:37 16.15 -12.03 20 1 -2 2 14 1 19 3 -2 19 4 -1 21 5 -1 6 15 1 18 7 -1 8 14 2 8 16 1 9 15 2 9 17 1 10 12 1 10 16 1 11 13 1 11 18 1 12 20 1 13 21 1 14 15 1 16 17 2 17 21 1 18 19 1 19 20 1 20 21 1', 'C18H26O2', 274.199, 'C', 'cpb04_608_4', 1867, '', '', '1', 36, NULL, NULL),
(8365, 'Oidiolactone A', '7-Methoxy-3a,10b-dimethyl-6,6a-epoxy-1,2,3,3a,5a,7,-10b,10c-octahydro-5,8-dioxaacephenanthrylene-4,9-dione', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:5]12[C@@H:6]4O[C:15](=O)[C@@:4]1([CH3:14])[CH2:3][CH2:2][CH2:1][C@:10]2([CH3:16])[C:9]3=[CH:11][C:12](=O)O[C@H:13](O[CH3:13001])[C@:8]35O[C@H:7]45', '[H][C@]12[C@@H]4OC(=O)[C@@]1(C)CCC[C@]2(C)C3=CC(=O)O[C@H](OC)[C@]35O[C@H]45', '[H][C@:44]12[C@@H:72]4O[C:181](=O)[C@@:42]1([CH3:26])[CH2:29][CH2:18][CH2:30][C@:36]2([CH3:25])[C:158]3=[CH:119][C:163](=O)O[C@H:100](O[CH3:58])[C@:57]35O[C@H:53]45', '24 28 H 14.33 -13.34 C:13001 19.19 -12.44 C:14 12.17 -14.32 C:16 14.33 -9.62 O 16.75 -6.78 O 12.59 -15.54 C:11 15.53 -8.92 C:2 11.92 -11.02 C:3 11.92 -12.43 C:1 13.13 -10.33 O 19.19 -11.02 O 17.97 -8.91 O 15.14 -14.49 O 17.97 -11.72 C:12 16.75 -8.20 C:15 13.52 -14.49 C:9 15.53 -10.33 C:13 17.97 -10.32 C:6 15.53 -13.13 C:7 16.75 -12.43 C:4 13.13 -13.13 C:10 14.33 -11.02 C:5 14.33 -12.43 C:8 16.75 -11.02 23 1 -2 2 11 1 21 3 -2 22 4 -1 5 15 2 6 16 2 7 15 1 7 17 2 8 9 1 8 10 1 9 21 1 10 22 1 18 11 -2 12 15 1 12 18 1 13 16 1 19 13 -1 20 14 -2 24 14 -2 16 21 1 17 22 1 17 24 1 18 24 1 19 20 1 19 23 1 20 24 1 21 23 1 22 23 1', '24 28 H 14.33 -13.34 C 19.19 -12.44 C 12.17 -14.32 C 14.33 -9.62 O 16.75 -6.78 O 12.59 -15.54 C 15.53 -8.92 C 11.92 -11.02 C 11.92 -12.43 C 13.13 -10.33 O 19.19 -11.02 O 17.97 -8.91 O 15.14 -14.49 O 17.97 -11.72 C 16.75 -8.20 C 13.52 -14.49 C 15.53 -10.33 C 17.97 -10.32 C 15.53 -13.13 C 16.75 -12.43 C 13.13 -13.13 C 14.33 -11.02 C 14.33 -12.43 C 16.75 -11.02 23 1 -2 2 11 1 21 3 -2 22 4 -1 5 15 2 6 16 2 7 15 1 7 17 2 8 9 1 8 10 1 9 21 1 10 22 1 18 11 -2 12 15 1 12 18 1 13 16 1 19 13 -1 20 14 -2 24 14 -2 16 21 1 17 22 1 17 24 1 18 24 1 19 20 1 19 23 1 20 24 1 21 23 1 22 23 1', '24 28 H 14.33 -13.34 C:58 19.19 -12.44 C:26 12.17 -14.32 C:25 14.33 -9.62 O 16.75 -6.78 O 12.59 -15.54 C:119 15.53 -8.92 C:18 11.92 -11.02 C:29 11.92 -12.43 C:30 13.13 -10.33 O 19.19 -11.02 O 17.97 -8.91 O 15.14 -14.49 O 17.97 -11.72 C:163 16.75 -8.20 C:181 13.52 -14.49 C:158 15.53 -10.33 C:100 17.97 -10.32 C:72 15.53 -13.13 C:53 16.75 -12.43 C:42 13.13 -13.13 C:36 14.33 -11.02 C:44 14.33 -12.43 C:57 16.75 -11.02 23 1 -2 2 11 1 21 3 -2 22 4 -1 5 15 2 6 16 2 7 15 1 7 17 2 8 9 1 8 10 1 9 21 1 10 22 1 18 11 -2 12 15 1 12 18 1 13 16 1 19 13 -1 20 14 -2 24 14 -2 16 21 1 17 22 1 17 24 1 18 24 1 19 20 1 19 23 1 20 24 1 21 23 1 22 23 1', 'C17H20O6', 320.186, '', 'np99_1218_1', 1029, '', '', '1', 5, 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
(8366, 'Oidiolactone B', '7-Methoxy-3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxaacephenanthrylene-4,9-dione', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:5]23[C@H:6]4[CH:7]=[C:8]1[C:9](=[CH:11][C:12](=O)O[C@@H:13]1O[CH3:13001])[C@@:10]2([CH3:16])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:14])[C:15](=O)O4', '[H][C@@]23[C@H]4C=C1C(=CC(=O)O[C@@H]1OC)[C@@]2(C)CCC[C@]3(C)C(=O)O4', '[H][C@@:48]23[C@H:72]4[CH:124]=[C:133]1[C:158](=[CH:112][C:163](=O)O[C@@H:102]1O[CH3:58])[C@@:35]2([CH3:24])[CH2:28][CH2:18][CH2:30][C@:43]3([CH3:25])[C:181](=O)O4', '23 26 H 14.35 -13.29 C:13001 19.22 -12.36 C:14 12.19 -14.28 C:16 14.35 -9.56 O 16.77 -6.74 O 12.61 -15.51 C:11 15.55 -8.86 C:7 16.77 -12.38 C:2 11.94 -10.97 C:3 11.94 -12.38 C:1 13.15 -10.27 O 19.22 -10.96 O 17.99 -8.85 O 15.16 -14.45 C:12 16.77 -8.16 C:15 13.54 -14.45 C:8 16.77 -10.97 C:9 15.55 -10.27 C:6 15.55 -13.08 C:13 17.99 -10.26 C:4 13.15 -13.08 C:10 14.35 -10.97 C:5 14.35 -12.38 23 1 -2 2 12 1 21 3 -2 22 4 -1 5 15 2 6 16 2 7 15 1 7 18 2 8 17 2 8 19 1 9 10 1 9 11 1 10 21 1 11 22 1 20 12 -2 13 15 1 13 20 1 14 16 1 19 14 -1 16 21 1 17 18 1 17 20 1 18 22 1 19 23 1 21 23 1 22 23 1', '23 26 H 14.35 -13.29 C 19.22 -12.36 C 12.19 -14.28 C 14.35 -9.56 O 16.77 -6.74 O 12.61 -15.51 C 15.55 -8.86 C 16.77 -12.38 C 11.94 -10.97 C 11.94 -12.38 C 13.15 -10.27 O 19.22 -10.96 O 17.99 -8.85 O 15.16 -14.45 C 16.77 -8.16 C 13.54 -14.45 C 16.77 -10.97 C 15.55 -10.27 C 15.55 -13.08 C 17.99 -10.26 C 13.15 -13.08 C 14.35 -10.97 C 14.35 -12.38 23 1 -2 2 12 1 21 3 -2 22 4 -1 5 15 2 6 16 2 7 15 1 7 18 2 8 17 2 8 19 1 9 10 1 9 11 1 10 21 1 11 22 1 20 12 -2 13 15 1 13 20 1 14 16 1 19 14 -1 16 21 1 17 18 1 17 20 1 18 22 1 19 23 1 21 23 1 22 23 1', '23 26 H 14.35 -13.29 C:58 19.22 -12.36 C:25 12.19 -14.28 C:24 14.35 -9.56 O 16.77 -6.74 O 12.61 -15.51 C:112 15.55 -8.86 C:124 16.77 -12.38 C:18 11.94 -10.97 C:30 11.94 -12.38 C:28 13.15 -10.27 O 19.22 -10.96 O 17.99 -8.85 O 15.16 -14.45 C:163 16.77 -8.16 C:181 13.54 -14.45 C:133 16.77 -10.97 C:158 15.55 -10.27 C:72 15.55 -13.08 C:102 17.99 -10.26 C:43 13.15 -13.08 C:35 14.35 -10.97 C:48 14.35 -12.38 23 1 -2 2 12 1 21 3 -2 22 4 -1 5 15 2 6 16 2 7 15 1 7 18 2 8 17 2 8 19 1 9 10 1 9 11 1 10 21 1 11 22 1 20 12 -2 13 15 1 13 20 1 14 16 1 19 14 -1 16 21 1 17 18 1 17 20 1 18 22 1 19 23 1 21 23 1 22 23 1', 'C17H20O5', 304.187, '', 'np99_1218_2', 1029, '', '', '1', 5, NULL, NULL),
(8367, 'Oidiolactone C', '3a,10b-Dimethyl-6,6a-epoxy-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxaacephenanthrylene-4,9-dione', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:5]12[C@@H:6]4O[C:15](=O)[C@@:4]1([CH3:14])[CH2:3][CH2:2][CH2:1][C@:10]2([CH3:16])[C:9]3=[CH:11][C:12](=O)O[CH2:13][C@:8]35O[C@H:7]45', '[H][C@]12[C@@H]4OC(=O)[C@@]1(C)CCC[C@]2(C)C3=CC(=O)OC[C@]35O[C@H]45', '[H][C@:44]12[C@@H:72]4O[C:180](=O)[C@@:42]1([CH3:25])[CH2:30][CH2:18][CH2:28][C@:36]2([CH3:24])[C:158]3=[CH:118][C:163](=O)O[CH2:72][C@:56]35O[C@H:53]45', '22 26 H 14.94 -13.33 C:14 12.78 -14.31 C:16 14.94 -9.60 O 17.36 -6.78 O 13.20 -15.53 C:11 16.14 -8.90 C:2 12.53 -11.01 C:3 12.53 -12.42 C:1 13.74 -10.31 C:13 18.58 -10.30 O 18.58 -8.89 O 15.75 -14.48 O 18.59 -11.71 C:12 17.36 -8.20 C:15 14.13 -14.48 C:9 16.14 -10.31 C:6 16.14 -13.12 C:7 17.36 -12.42 C:4 13.74 -13.12 C:10 14.94 -11.01 C:5 14.94 -12.42 C:8 17.36 -11.01 21 1 -2 19 2 -2 20 3 -1 4 14 2 5 15 2 6 14 1 6 16 2 7 8 1 7 9 1 8 19 1 9 20 1 10 11 1 10 22 1 11 14 1 12 15 1 17 12 -1 18 13 -2 22 13 -2 15 19 1 16 20 1 16 22 1 17 18 1 17 21 1 18 22 1 19 21 1 20 21 1', '22 26 H 14.94 -13.33 C 12.78 -14.31 C 14.94 -9.60 O 17.36 -6.78 O 13.20 -15.53 C 16.14 -8.90 C 12.53 -11.01 C 12.53 -12.42 C 13.74 -10.31 C 18.58 -10.30 O 18.58 -8.89 O 15.75 -14.48 O 18.59 -11.71 C 17.36 -8.20 C 14.13 -14.48 C 16.14 -10.31 C 16.14 -13.12 C 17.36 -12.42 C 13.74 -13.12 C 14.94 -11.01 C 14.94 -12.42 C 17.36 -11.01 21 1 -2 19 2 -2 20 3 -1 4 14 2 5 15 2 6 14 1 6 16 2 7 8 1 7 9 1 8 19 1 9 20 1 10 11 1 10 22 1 11 14 1 12 15 1 17 12 -1 18 13 -2 22 13 -2 15 19 1 16 20 1 16 22 1 17 18 1 17 21 1 18 22 1 19 21 1 20 21 1', '22 26 H 14.94 -13.33 C:25 12.78 -14.31 C:24 14.94 -9.60 O 17.36 -6.78 O 13.20 -15.53 C:118 16.14 -8.90 C:18 12.53 -11.01 C:30 12.53 -12.42 C:28 13.74 -10.31 C:72 18.58 -10.30 O 18.58 -8.89 O 15.75 -14.48 O 18.59 -11.71 C:163 17.36 -8.20 C:180 14.13 -14.48 C:158 16.14 -10.31 C:72 16.14 -13.12 C:53 17.36 -12.42 C:42 13.74 -13.12 C:36 14.94 -11.01 C:44 14.94 -12.42 C:56 17.36 -11.01 21 1 -2 19 2 -2 20 3 -1 4 14 2 5 15 2 6 14 1 6 16 2 7 8 1 7 9 1 8 19 1 9 20 1 10 11 1 10 22 1 11 14 1 12 15 1 17 12 -1 18 13 -2 22 13 -2 15 19 1 16 20 1 16 22 1 17 18 1 17 21 1 18 22 1 19 21 1 20 21 1', 'C16H18O5', 290.176, '', 'np99_1218_3', 1029, '', '', '1', 5, NULL, NULL),
(8368, 'Oidiolactone D', '7-Hydroxy-3a,10b-dimethyl-6,6a-epoxy-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxaacephenanthrylene-4,9-dione', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@:5]12[C@@H:6]4O[C:15](=O)[C@@:4]1([CH3:14])[CH2:3][CH2:2][CH2:1][C@:10]2([CH3:16])[C:9]3=[CH:11][C:12](=O)O[C@@H:13](O)[C@:8]35O[C@H:7]45', '[H][C@]12[C@@H]4OC(=O)[C@@]1(C)CCC[C@]2(C)C3=CC(=O)O[C@@H](O)[C@]35O[C@H]45', '[H][C@:44]12[C@@H:72]4O[C:181](=O)[C@@:42]1([CH3:25])[CH2:29][CH2:18][CH2:30][C@:36]2([CH3:25])[C:157]3=[CH:118][C:163](=O)O[C@@H:9999](O)[C@:57]35O[C@H:54]45', '23 27 H 14.33 -13.34 C:14 12.17 -14.32 C:16 14.33 -9.61 O 16.75 -6.78 O 12.59 -15.54 O 19.20 -11.02 C:11 15.53 -8.91 C:2 11.92 -11.02 C:3 11.92 -12.43 C:1 13.13 -10.32 O 17.97 -8.90 O 15.14 -14.49 O 17.98 -11.72 C:12 16.75 -8.20 C:15 13.52 -14.49 C:9 15.53 -10.32 C:13 17.97 -10.31 C:6 15.53 -13.13 C:7 16.75 -12.43 C:4 13.13 -13.13 C:10 14.33 -11.02 C:5 14.33 -12.43 C:8 16.75 -11.02 22 1 -2 20 2 -2 21 3 -1 4 14 2 5 15 2 17 6 -1 7 14 1 7 16 2 8 9 1 8 10 1 9 20 1 10 21 1 11 14 1 11 17 1 12 15 1 18 12 -1 19 13 -2 23 13 -2 15 20 1 16 21 1 16 23 1 17 23 1 18 19 1 18 22 1 19 23 1 20 22 1 21 22 1', '23 27 H 14.33 -13.34 C 12.17 -14.32 C 14.33 -9.61 O 16.75 -6.78 O 12.59 -15.54 O 19.20 -11.02 C 15.53 -8.91 C 11.92 -11.02 C 11.92 -12.43 C 13.13 -10.32 O 17.97 -8.90 O 15.14 -14.49 O 17.98 -11.72 C 16.75 -8.20 C 13.52 -14.49 C 15.53 -10.32 C 17.97 -10.31 C 15.53 -13.13 C 16.75 -12.43 C 13.13 -13.13 C 14.33 -11.02 C 14.33 -12.43 C 16.75 -11.02 22 1 -2 20 2 -2 21 3 -1 4 14 2 5 15 2 17 6 -1 7 14 1 7 16 2 8 9 1 8 10 1 9 20 1 10 21 1 11 14 1 11 17 1 12 15 1 18 12 -1 19 13 -2 23 13 -2 15 20 1 16 21 1 16 23 1 17 23 1 18 19 1 18 22 1 19 23 1 20 22 1 21 22 1', '23 27 H 14.33 -13.34 C:25 12.17 -14.32 C:25 14.33 -9.61 O 16.75 -6.78 O 12.59 -15.54 O 19.20 -11.02 C:118 15.53 -8.91 C:18 11.92 -11.02 C:29 11.92 -12.43 C:30 13.13 -10.32 O 17.97 -8.90 O 15.14 -14.49 O 17.98 -11.72 C:163 16.75 -8.20 C:181 13.52 -14.49 C:157 15.53 -10.32 C 17.97 -10.31 C:72 15.53 -13.13 C:54 16.75 -12.43 C:42 13.13 -13.13 C:36 14.33 -11.02 C:44 14.33 -12.43 C:57 16.75 -11.02 22 1 -2 20 2 -2 21 3 -1 4 14 2 5 15 2 17 6 -1 7 14 1 7 16 2 8 9 1 8 10 1 9 20 1 10 21 1 11 14 1 11 17 1 12 15 1 18 12 -1 19 13 -2 23 13 -2 15 20 1 16 21 1 16 23 1 17 23 1 18 19 1 18 22 1 19 23 1 20 22 1 21 22 1', 'C16H18O6', 306.176, '', 'np99_1218_4', 1029, '', '', '1', 5, NULL, NULL),
(8371, '', '3b,5a,8a,15b-Tetraacetoxy-7b-benzoyloxyjatropha-6(17),-11E-dien-9,14-dione', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[c:7002]1[cH:7003][cH:7004][cH:7005][cH:7006][cH:7007]1)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)c1ccccc1)[C@@H](OC(C)=O)C(=O)[C@](C)(C)C=C[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@@H]3OC(C)=O', '[H][C@@:50]23[C@@H:72](O[C:169]([CH3:20])=O)[C:137](=[CH2:124])[C@H:64](O[C:166](=O)[c:129]1[cH:130][cH:129][cH:134][cH:129][cH:130]1)[C@@H:74](O[C:169]([CH3:21])=O)[C:205](=O)[C@:49]([CH3:24])([CH3:26])[CH:135]=[CH:133][C@H:43]([CH3:20])[C:204](=O)[C@@:90]2(O[C:170]([CH3:21])=O)[CH2:45][C@H:39]([CH3:14])[C@@H:77]3O[C:170]([CH3:21])=O', '48 50 H 13.37 -10.28 C:17 16.71 -9.06 C:8002 21.00 -14.20 C:5002 13.07 -13.90 C:3002 10.12 -12.83 C:15002 11.59 -4.81 C:20 16.71 -5.62 C:16 10.10 -8.64 C:18 20.87 -9.43 C:19 20.48 -7.80 O 21.37 -11.84 O 11.88 -12.23 O 9.73 -10.34 O 10.88 -7.13 O 18.65 -13.93 O 20.75 -11.14 O 14.16 -5.63 C:12 17.17 -7.93 C:11 18.59 -7.93 C:7005 14.98 -17.52 C:7004 16.38 -17.52 C:7006 14.34 -16.21 C:7003 17.14 -16.34 C:7007 15.10 -15.11 C:1 12.38 -7.48 O 19.13 -12.71 O 14.19 -11.69 O 11.94 -11.17 O 16.62 -12.71 O 13.23 -6.60 C:8001 20.51 -12.93 C:5001 13.07 -12.53 C:3001 10.56 -11.47 C:15001 11.90 -6.18 C:6 16.15 -10.36 C:7001 17.26 -13.93 C:9 19.60 -10.36 C:14 14.72 -6.91 C:7002 16.50 -15.11 C:13 16.15 -6.91 C:2 11.54 -8.64 C:7 17.17 -11.38 C:8 18.59 -11.38 C:5 14.72 -10.36 C:3 12.38 -9.79 C:10 19.60 -8.94 C:4 13.74 -9.35 C:15 13.74 -7.93 47 1 -2 2 35 2 3 31 1 4 32 1 5 33 1 6 34 1 40 7 -1 41 8 -1 46 9 -2 46 10 -1 11 31 2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 18 19 2 18 40 1 19 46 1 20 21 2 20 22 1 21 23 1 22 24 2 23 39 2 24 39 1 25 41 1 25 48 1 26 31 1 43 26 -2 27 32 1 44 27 -2 28 33 1 45 28 -1 29 36 1 42 29 -1 30 34 1 48 30 -1 35 42 1 35 44 1 36 39 1 37 43 1 37 46 1 38 40 1 38 48 1 41 45 1 42 43 1 44 47 1 45 47 1 47 48 1', '48 50 H 13.37 -10.28 C 16.71 -9.06 C 21.00 -14.20 C 13.07 -13.90 C 10.12 -12.83 C 11.59 -4.81 C 16.71 -5.62 C 10.10 -8.64 C 20.87 -9.43 C 20.48 -7.80 O 21.37 -11.84 O 11.88 -12.23 O 9.73 -10.34 O 10.88 -7.13 O 18.65 -13.93 O 20.75 -11.14 O 14.16 -5.63 C 17.17 -7.93 C 18.59 -7.93 C 14.98 -17.52 C 16.38 -17.52 C 14.34 -16.21 C 17.14 -16.34 C 15.10 -15.11 C 12.38 -7.48 O 19.13 -12.71 O 14.19 -11.69 O 11.94 -11.17 O 16.62 -12.71 O 13.23 -6.60 C 20.51 -12.93 C 13.07 -12.53 C 10.56 -11.47 C 11.90 -6.18 C 16.15 -10.36 C 17.26 -13.93 C 19.60 -10.36 C 14.72 -6.91 C 16.50 -15.11 C 16.15 -6.91 C 11.54 -8.64 C 17.17 -11.38 C 18.59 -11.38 C 14.72 -10.36 C 12.38 -9.79 C 19.60 -8.94 C 13.74 -9.35 C 13.74 -7.93 47 1 -2 2 35 2 3 31 1 4 32 1 5 33 1 6 34 1 40 7 -1 41 8 -1 46 9 -2 46 10 -1 11 31 2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 18 19 2 18 40 1 19 46 1 20 21 2 20 22 1 21 23 1 22 24 2 23 39 2 24 39 1 25 41 1 25 48 1 26 31 1 43 26 -2 27 32 1 44 27 -2 28 33 1 45 28 -1 29 36 1 42 29 -1 30 34 1 48 30 -1 35 42 1 35 44 1 36 39 1 37 43 1 37 46 1 38 40 1 38 48 1 41 45 1 42 43 1 44 47 1 45 47 1 47 48 1', '48 50 H 13.37 -10.28 C:124 16.71 -9.06 C:21 21.00 -14.20 C:20 13.07 -13.90 C:21 10.12 -12.83 C:21 11.59 -4.81 C:20 16.71 -5.62 C:14 10.10 -8.64 C:24 20.87 -9.43 C:26 20.48 -7.80 O 21.37 -11.84 O 11.88 -12.23 O 9.73 -10.34 O 10.88 -7.13 O 18.65 -13.93 O 20.75 -11.14 O 14.16 -5.63 C:133 17.17 -7.93 C:135 18.59 -7.93 C:134 14.98 -17.52 C:129 16.38 -17.52 C:129 14.34 -16.21 C:130 17.14 -16.34 C:130 15.10 -15.11 C:45 12.38 -7.48 O 19.13 -12.71 O 14.19 -11.69 O 11.94 -11.17 O 16.62 -12.71 O 13.23 -6.60 C:169 20.51 -12.93 C:169 13.07 -12.53 C:170 10.56 -11.47 C:170 11.90 -6.18 C:137 16.15 -10.36 C:166 17.26 -13.93 C:205 19.60 -10.36 C:204 14.72 -6.91 C:129 16.50 -15.11 C:43 16.15 -6.91 C:39 11.54 -8.64 C:64 17.17 -11.38 C:74 18.59 -11.38 C:72 14.72 -10.36 C:77 12.38 -9.79 C:49 19.60 -8.94 C:50 13.74 -9.35 C:90 13.74 -7.93 47 1 -2 2 35 2 3 31 1 4 32 1 5 33 1 6 34 1 40 7 -1 41 8 -1 46 9 -2 46 10 -1 11 31 2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 18 19 2 18 40 1 19 46 1 20 21 2 20 22 1 21 23 1 22 24 2 23 39 2 24 39 1 25 41 1 25 48 1 26 31 1 43 26 -2 27 32 1 44 27 -2 28 33 1 45 28 -1 29 36 1 42 29 -1 30 34 1 48 30 -1 35 42 1 35 44 1 36 39 1 37 43 1 37 46 1 38 40 1 38 48 1 41 45 1 42 43 1 44 47 1 45 47 1 47 48 1', 'C35H42O12', 654.375, 'C', 'np01_1064_1', 1338, '', '', '1', 36, NULL, NULL),
(8372, '', '3b,5a,7b,8a,15b-Pentaacetoxyjatropha-6(17),11E-dien-9,14-dione', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@@](C)(C)C=C[C@H](C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(C)=O', '[H][C@@:50]12[C@@H:72](O[C:170]([CH3:21])=O)[C:137](=[CH2:123])[C@H:64](O[C:170]([CH3:21])=O)[C@@H:74](O[C:170]([CH3:21])=O)[C:205](=O)[C@@:49]([CH3:26])([CH3:24])[CH:135]=[CH:134][C@H:43]([CH3:21])[C:204](=O)[C@@:90]1(O[C:169]([CH3:20])=O)[CH2:45][C@H:39]([CH3:14])[C@@H:77]2O[C:169]([CH3:21])=O', '43 44 H 13.37 -11.45 C:17 16.71 -10.23 C:7002 16.50 -16.28 C:8002 21.00 -15.37 C:5002 13.07 -15.07 C:3002 10.12 -14.00 C:15002 11.59 -5.98 C:20 16.71 -6.79 C:16 10.10 -9.81 C:19 20.48 -8.97 C:18 20.87 -10.60 O 18.65 -15.10 O 21.37 -13.01 O 11.88 -13.40 O 9.73 -11.51 O 10.88 -8.30 O 14.16 -6.80 O 20.75 -12.31 C:12 17.17 -9.10 C:11 18.59 -9.10 C:1 12.38 -8.65 O 16.62 -13.88 O 19.13 -13.88 O 14.19 -12.86 O 11.94 -12.34 O 13.23 -7.77 C:7001 17.26 -15.10 C:8001 20.51 -14.10 C:5001 13.07 -13.70 C:3001 10.56 -12.64 C:15001 11.90 -7.35 C:6 16.15 -11.53 C:14 14.72 -8.08 C:9 19.60 -11.53 C:13 16.15 -8.08 C:2 11.54 -9.81 C:7 17.17 -12.55 C:8 18.59 -12.55 C:5 14.72 -11.53 C:3 12.38 -10.96 C:10 19.60 -10.11 C:4 13.74 -10.52 C:15 13.74 -9.10 42 1 -2 2 32 2 3 27 1 4 28 1 5 29 1 6 30 1 7 31 1 35 8 -1 36 9 -1 41 10 -1 41 11 -2 12 27 2 13 28 2 14 29 2 15 30 2 16 31 2 17 33 2 18 34 2 19 20 2 19 35 1 20 41 1 21 36 1 21 43 1 22 27 1 37 22 -1 23 28 1 38 23 -2 24 29 1 39 24 -2 25 30 1 40 25 -1 26 31 1 43 26 -1 32 37 1 32 39 1 33 35 1 33 43 1 34 38 1 34 41 1 36 40 1 37 38 1 39 42 1 40 42 1 42 43 1', '43 44 H 13.37 -11.45 C 16.71 -10.23 C 16.50 -16.28 C 21.00 -15.37 C 13.07 -15.07 C 10.12 -14.00 C 11.59 -5.98 C 16.71 -6.79 C 10.10 -9.81 C 20.48 -8.97 C 20.87 -10.60 O 18.65 -15.10 O 21.37 -13.01 O 11.88 -13.40 O 9.73 -11.51 O 10.88 -8.30 O 14.16 -6.80 O 20.75 -12.31 C 17.17 -9.10 C 18.59 -9.10 C 12.38 -8.65 O 16.62 -13.88 O 19.13 -13.88 O 14.19 -12.86 O 11.94 -12.34 O 13.23 -7.77 C 17.26 -15.10 C 20.51 -14.10 C 13.07 -13.70 C 10.56 -12.64 C 11.90 -7.35 C 16.15 -11.53 C 14.72 -8.08 C 19.60 -11.53 C 16.15 -8.08 C 11.54 -9.81 C 17.17 -12.55 C 18.59 -12.55 C 14.72 -11.53 C 12.38 -10.96 C 19.60 -10.11 C 13.74 -10.52 C 13.74 -9.10 42 1 -2 2 32 2 3 27 1 4 28 1 5 29 1 6 30 1 7 31 1 35 8 -1 36 9 -1 41 10 -1 41 11 -2 12 27 2 13 28 2 14 29 2 15 30 2 16 31 2 17 33 2 18 34 2 19 20 2 19 35 1 20 41 1 21 36 1 21 43 1 22 27 1 37 22 -1 23 28 1 38 23 -2 24 29 1 39 24 -2 25 30 1 40 25 -1 26 31 1 43 26 -1 32 37 1 32 39 1 33 35 1 33 43 1 34 38 1 34 41 1 36 40 1 37 38 1 39 42 1 40 42 1 42 43 1', '43 44 H 13.37 -11.45 C:123 16.71 -10.23 C:21 16.50 -16.28 C:21 21.00 -15.37 C:21 13.07 -15.07 C:21 10.12 -14.00 C:20 11.59 -5.98 C:21 16.71 -6.79 C:14 10.10 -9.81 C:26 20.48 -8.97 C:24 20.87 -10.60 O 18.65 -15.10 O 21.37 -13.01 O 11.88 -13.40 O 9.73 -11.51 O 10.88 -8.30 O 14.16 -6.80 O 20.75 -12.31 C:134 17.17 -9.10 C:135 18.59 -9.10 C:45 12.38 -8.65 O 16.62 -13.88 O 19.13 -13.88 O 14.19 -12.86 O 11.94 -12.34 O 13.23 -7.77 C:170 17.26 -15.10 C:170 20.51 -14.10 C:170 13.07 -13.70 C:169 10.56 -12.64 C:169 11.90 -7.35 C:137 16.15 -11.53 C:204 14.72 -8.08 C:205 19.60 -11.53 C:43 16.15 -8.08 C:39 11.54 -9.81 C:64 17.17 -12.55 C:74 18.59 -12.55 C:72 14.72 -11.53 C:77 12.38 -10.96 C:49 19.60 -10.11 C:50 13.74 -10.52 C:90 13.74 -9.10 42 1 -2 2 32 2 3 27 1 4 28 1 5 29 1 6 30 1 7 31 1 35 8 -1 36 9 -1 41 10 -1 41 11 -2 12 27 2 13 28 2 14 29 2 15 30 2 16 31 2 17 33 2 18 34 2 19 20 2 19 35 1 20 41 1 21 36 1 21 43 1 22 27 1 37 22 -1 23 28 1 38 23 -2 24 29 1 39 24 -2 25 30 1 40 25 -1 26 31 1 43 26 -1 32 37 1 32 39 1 33 35 1 33 43 1 34 38 1 34 41 1 36 40 1 37 38 1 39 42 1 40 42 1 42 43 1', 'C30H40O12', 592.322, 'C', 'np01_1064_2', 1338, '', '', '1', 36, NULL, NULL),
(8373, '', '2a,3b,5a,8a,9a,15b-Hexaacetoxy-7b-benzoyloxyjatropha-6(17),11E-dien-14-one', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[c:7002]1[cH:7007][cH:7006][cH:7005][cH:7004][cH:7003]1)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(C)C=C[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]3OC(C)=O', '[H][C@@:46]23[C@@H:71](O[C:170]([CH3:22])=O)[C:139](=[CH2:121])[C@H:67](O[C:165](=O)[c:131]1[cH:130][cH:129][cH:9999][cH:129][cH:130]1)[C@@H:70](O[C:170]([CH3:21])=O)[C@@H:81](O[C:169]([CH3:21])=O)[C@:40]([CH3:25])([CH3:24])[CH:133]=[CH:131][C@H:44]([CH3:20])[C:204](=O)[C@@:91]2(O[C:169]([CH3:20])=O)[CH2:49][C@@:87]([CH3:19])(O[C:170]([CH3:20])=O)[C@@H:77]3O[C:170]([CH3:21])=O', '55 57 H 13.43 -10.33 C:17 16.76 -9.12 C:5002 13.14 -13.95 C:8002 21.07 -14.25 C:9002 23.17 -11.59 C:3002 10.19 -12.87 C:2002 7.96 -7.71 C:15002 11.83 -4.71 C:20 16.76 -5.66 C:18 20.94 -9.49 C:19 20.58 -7.86 C:16 10.40 -9.41 O 11.95 -12.27 O 21.44 -11.89 O 22.55 -9.34 O 9.80 -10.39 O 9.19 -9.81 O 11.00 -6.85 O 18.71 -13.98 O 14.25 -5.67 C:12 17.27 -7.99 C:11 18.65 -7.99 C:7005 15.18 -17.58 C:7006 14.47 -16.39 C:7004 16.58 -17.58 C:7007 15.18 -15.15 C:7003 17.27 -16.36 C:1 12.45 -7.54 O 14.25 -11.74 O 19.19 -12.75 O 20.82 -11.19 O 16.67 -12.75 O 12.01 -11.22 O 10.40 -7.71 O 13.29 -6.64 C:5001 13.14 -12.57 C:8001 20.58 -12.97 C:9001 22.11 -10.71 C:3001 10.63 -11.52 C:2001 9.19 -8.41 C:15001 12.01 -6.10 C:6 16.20 -10.41 C:7001 17.32 -13.98 C:14 14.79 -6.95 C:7002 16.58 -15.15 C:13 16.20 -6.95 C:7 17.27 -11.43 C:5 14.79 -10.41 C:8 18.65 -11.43 C:9 19.66 -10.41 C:3 12.45 -9.85 C:10 19.66 -9.00 C:2 11.61 -8.70 C:4 13.80 -9.41 C:15 13.80 -7.99 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 46 9 -1 52 10 -2 52 11 -1 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 20 44 2 21 22 2 21 46 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 45 1 27 45 2 28 53 1 28 55 1 29 36 1 48 29 -2 30 37 1 49 30 -2 31 38 1 50 31 -2 32 43 1 47 32 -1 33 39 1 51 33 -1 34 40 1 53 34 -2 35 41 1 55 35 -1 42 47 1 42 48 1 43 45 1 44 46 1 44 55 1 47 49 1 48 54 1 49 50 1 50 52 1 51 53 1 51 54 1 54 55 1', '55 57 H 13.43 -10.33 C 16.76 -9.12 C 13.14 -13.95 C 21.07 -14.25 C 23.17 -11.59 C 10.19 -12.87 C 7.96 -7.71 C 11.83 -4.71 C 16.76 -5.66 C 20.94 -9.49 C 20.58 -7.86 C 10.40 -9.41 O 11.95 -12.27 O 21.44 -11.89 O 22.55 -9.34 O 9.80 -10.39 O 9.19 -9.81 O 11.00 -6.85 O 18.71 -13.98 O 14.25 -5.67 C 17.27 -7.99 C 18.65 -7.99 C 15.18 -17.58 C 14.47 -16.39 C 16.58 -17.58 C 15.18 -15.15 C 17.27 -16.36 C 12.45 -7.54 O 14.25 -11.74 O 19.19 -12.75 O 20.82 -11.19 O 16.67 -12.75 O 12.01 -11.22 O 10.40 -7.71 O 13.29 -6.64 C 13.14 -12.57 C 20.58 -12.97 C 22.11 -10.71 C 10.63 -11.52 C 9.19 -8.41 C 12.01 -6.10 C 16.20 -10.41 C 17.32 -13.98 C 14.79 -6.95 C 16.58 -15.15 C 16.20 -6.95 C 17.27 -11.43 C 14.79 -10.41 C 18.65 -11.43 C 19.66 -10.41 C 12.45 -9.85 C 19.66 -9.00 C 11.61 -8.70 C 13.80 -9.41 C 13.80 -7.99 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 46 9 -1 52 10 -2 52 11 -1 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 20 44 2 21 22 2 21 46 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 45 1 27 45 2 28 53 1 28 55 1 29 36 1 48 29 -2 30 37 1 49 30 -2 31 38 1 50 31 -2 32 43 1 47 32 -1 33 39 1 51 33 -1 34 40 1 53 34 -2 35 41 1 55 35 -1 42 47 1 42 48 1 43 45 1 44 46 1 44 55 1 47 49 1 48 54 1 49 50 1 50 52 1 51 53 1 51 54 1 54 55 1', '55 57 H 13.43 -10.33 C:121 16.76 -9.12 C:22 13.14 -13.95 C:21 21.07 -14.25 C:21 23.17 -11.59 C:21 10.19 -12.87 C:20 7.96 -7.71 C:20 11.83 -4.71 C:20 16.76 -5.66 C:25 20.94 -9.49 C:24 20.58 -7.86 C:19 10.40 -9.41 O 11.95 -12.27 O 21.44 -11.89 O 22.55 -9.34 O 9.80 -10.39 O 9.19 -9.81 O 11.00 -6.85 O 18.71 -13.98 O 14.25 -5.67 C:131 17.27 -7.99 C:133 18.65 -7.99 C 15.18 -17.58 C:129 14.47 -16.39 C:129 16.58 -17.58 C:130 15.18 -15.15 C:130 17.27 -16.36 C:49 12.45 -7.54 O 14.25 -11.74 O 19.19 -12.75 O 20.82 -11.19 O 16.67 -12.75 O 12.01 -11.22 O 10.40 -7.71 O 13.29 -6.64 C:170 13.14 -12.57 C:170 20.58 -12.97 C:169 22.11 -10.71 C:170 10.63 -11.52 C:170 9.19 -8.41 C:169 12.01 -6.10 C:139 16.20 -10.41 C:165 17.32 -13.98 C:204 14.79 -6.95 C:131 16.58 -15.15 C:44 16.20 -6.95 C:67 17.27 -11.43 C:71 14.79 -10.41 C:70 18.65 -11.43 C:81 19.66 -10.41 C:77 12.45 -9.85 C:40 19.66 -9.00 C:87 11.61 -8.70 C:46 13.80 -9.41 C:91 13.80 -7.99 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 46 9 -1 52 10 -2 52 11 -1 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 20 44 2 21 22 2 21 46 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 45 1 27 45 2 28 53 1 28 55 1 29 36 1 48 29 -2 30 37 1 49 30 -2 31 38 1 50 31 -2 32 43 1 47 32 -1 33 39 1 51 33 -1 34 40 1 53 34 -2 35 41 1 55 35 -1 42 47 1 42 48 1 43 45 1 44 46 1 44 55 1 47 49 1 48 54 1 49 50 1 50 52 1 51 53 1 51 54 1 54 55 1', 'C39H48O15', 756.416, 'C', 'np01_1064_3', 1338, '', '', '1', 36, NULL, NULL),
(8374, '', '3b,5a,8a,9a,15b-Pentaacetoxy-7b-benzoyloxyjatropha-6(17),11E-dien-14-one', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[c:7002]1[cH:7003][cH:7004][cH:7005][cH:7006][cH:7007]1)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C)C=C[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@@H]3OC(C)=O', '[H][C@@:50]23[C@@H:71](O[C:170]([CH3:21])=O)[C:139](=[CH2:121])[C@H:67](O[C:165](=O)[c:131]1[cH:130][cH:129][cH:135][cH:129][cH:130]1)[C@@H:70](O[C:170]([CH3:21])=O)[C@@H:81](O[C:169]([CH3:21])=O)[C@@:40]([CH3:24])([CH3:25])[CH:134]=[CH:131][C@H:44]([CH3:20])[C:204](=O)[C@@:91]2(O[C:166]([CH3:20])=O)[CH2:44][C@H:38]([CH3:14])[C@@H:77]3O[C:170]([CH3:21])=O', '51 53 H 12.51 -10.30 C:17 15.85 -9.10 C:5002 12.22 -13.93 C:8002 20.17 -14.23 C:3002 9.26 -12.85 C:9002 22.28 -11.56 C:15002 10.90 -4.67 C:20 15.85 -5.63 C:16 9.26 -8.67 C:19 19.68 -7.83 C:18 20.04 -9.47 O 11.02 -12.25 O 20.54 -11.86 O 8.87 -10.36 O 21.66 -9.32 O 10.07 -6.82 O 17.81 -13.96 O 13.33 -5.64 C:12 16.36 -7.96 C:11 17.75 -7.96 C:7005 14.26 -17.57 C:7004 15.67 -17.57 C:7006 13.55 -16.37 C:7003 16.36 -16.35 C:7007 14.26 -15.13 C:1 11.53 -7.51 O 13.33 -11.71 O 18.29 -12.73 O 11.08 -11.19 O 19.92 -11.16 O 15.76 -12.73 O 12.37 -6.61 C:5001 12.22 -12.55 C:8001 19.68 -12.95 C:3001 9.70 -11.49 C:9001 21.22 -10.68 C:15001 11.08 -6.07 C:6 15.29 -10.38 C:7001 16.41 -13.96 C:14 13.87 -6.92 C:7002 15.67 -15.13 C:13 15.29 -6.92 C:2 10.68 -8.67 C:7 16.36 -11.40 C:5 13.87 -10.38 C:8 17.75 -11.40 C:3 11.53 -9.82 C:9 18.76 -10.38 C:10 18.76 -8.98 C:4 12.88 -9.39 C:15 12.88 -7.96 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -1 49 11 -2 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 1 21 23 2 22 24 2 23 25 1 24 41 1 25 41 2 26 43 1 26 51 1 27 33 1 45 27 -2 28 34 1 46 28 -2 29 35 1 47 29 -1 30 36 1 48 30 -2 31 39 1 44 31 -1 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', '51 53 H 12.51 -10.30 C 15.85 -9.10 C 12.22 -13.93 C 20.17 -14.23 C 9.26 -12.85 C 22.28 -11.56 C 10.90 -4.67 C 15.85 -5.63 C 9.26 -8.67 C 19.68 -7.83 C 20.04 -9.47 O 11.02 -12.25 O 20.54 -11.86 O 8.87 -10.36 O 21.66 -9.32 O 10.07 -6.82 O 17.81 -13.96 O 13.33 -5.64 C 16.36 -7.96 C 17.75 -7.96 C 14.26 -17.57 C 15.67 -17.57 C 13.55 -16.37 C 16.36 -16.35 C 14.26 -15.13 C 11.53 -7.51 O 13.33 -11.71 O 18.29 -12.73 O 11.08 -11.19 O 19.92 -11.16 O 15.76 -12.73 O 12.37 -6.61 C 12.22 -12.55 C 19.68 -12.95 C 9.70 -11.49 C 21.22 -10.68 C 11.08 -6.07 C 15.29 -10.38 C 16.41 -13.96 C 13.87 -6.92 C 15.67 -15.13 C 15.29 -6.92 C 10.68 -8.67 C 16.36 -11.40 C 13.87 -10.38 C 17.75 -11.40 C 11.53 -9.82 C 18.76 -10.38 C 18.76 -8.98 C 12.88 -9.39 C 12.88 -7.96 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -1 49 11 -2 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 1 21 23 2 22 24 2 23 25 1 24 41 1 25 41 2 26 43 1 26 51 1 27 33 1 45 27 -2 28 34 1 46 28 -2 29 35 1 47 29 -1 30 36 1 48 30 -2 31 39 1 44 31 -1 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', '51 53 H 12.51 -10.30 C:121 15.85 -9.10 C:21 12.22 -13.93 C:21 20.17 -14.23 C:21 9.26 -12.85 C:21 22.28 -11.56 C:20 10.90 -4.67 C:20 15.85 -5.63 C:14 9.26 -8.67 C:24 19.68 -7.83 C:25 20.04 -9.47 O 11.02 -12.25 O 20.54 -11.86 O 8.87 -10.36 O 21.66 -9.32 O 10.07 -6.82 O 17.81 -13.96 O 13.33 -5.64 C:131 16.36 -7.96 C:134 17.75 -7.96 C:135 14.26 -17.57 C:129 15.67 -17.57 C:129 13.55 -16.37 C:130 16.36 -16.35 C:130 14.26 -15.13 C:44 11.53 -7.51 O 13.33 -11.71 O 18.29 -12.73 O 11.08 -11.19 O 19.92 -11.16 O 15.76 -12.73 O 12.37 -6.61 C:170 12.22 -12.55 C:170 19.68 -12.95 C:170 9.70 -11.49 C:169 21.22 -10.68 C:166 11.08 -6.07 C:139 15.29 -10.38 C:165 16.41 -13.96 C:204 13.87 -6.92 C:131 15.67 -15.13 C:44 15.29 -6.92 C:38 10.68 -8.67 C:67 16.36 -11.40 C:71 13.87 -10.38 C:70 17.75 -11.40 C:77 11.53 -9.82 C:81 18.76 -10.38 C:40 18.76 -8.98 C:50 12.88 -9.39 C:91 12.88 -7.96 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -1 49 11 -2 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 1 21 23 2 22 24 2 23 25 1 24 41 1 25 41 2 26 43 1 26 51 1 27 33 1 45 27 -2 28 34 1 46 28 -2 29 35 1 47 29 -1 30 36 1 48 30 -2 31 39 1 44 31 -1 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', 'C37H46O13', 698.396, 'C', 'np01_1064_4', 1338, '', '', '1', 36, NULL, NULL),
(8375, '', '3b,5a,7b,8a,9a,15b-Hexaacetoxy-2a-benzoyloxyjatropha-6(17),11E-dien-14-one', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]13[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001](=O)[c:2002]2[cH:2007][cH:2006][cH:2005][cH:2004][cH:2003]2)[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]13[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C)C=C[C@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(=O)c2ccccc2)[C@@H]3OC(C)=O', '[H][C@@:46]13[C@@H:71](O[C:170]([CH3:21])=O)[C:139](=[CH2:120])[C@H:67](O[C:169]([CH3:21])=O)[C@@H:70](O[C:169]([CH3:21])=O)[C@@H:81](O[C:169]([CH3:21])=O)[C@@:40]([CH3:23])([CH3:25])[CH:135]=[CH:131][C@H:44]([CH3:20])[C:204](=O)[C@@:91]1(O[C:169]([CH3:21])=O)[CH2:47][C@@:89]([CH3:19])(O[C:165](=O)[c:131]2[cH:130][cH:128][cH:133][cH:128][cH:130]2)[C@@H:79]3O[C:170]([CH3:22])=O', '55 57 H 14.65 -11.56 C:17 17.98 -10.35 C:7002 17.77 -16.38 C:5002 14.36 -15.18 C:8002 22.29 -15.48 C:9002 24.39 -12.82 C:3002 11.41 -14.10 C:15002 13.05 -5.94 C:20 17.98 -6.89 C:19 21.80 -9.09 C:18 22.16 -10.72 C:16 11.62 -10.64 O 19.93 -15.21 O 13.17 -13.50 O 22.66 -13.12 O 23.77 -10.57 O 11.02 -11.62 O 12.22 -8.08 O 10.41 -11.04 O 15.47 -6.90 C:12 18.45 -9.22 C:11 19.87 -9.22 C:2005 6.76 -7.55 C:2006 7.98 -6.84 C:2004 6.76 -8.95 C:2007 9.19 -7.54 C:2003 7.98 -9.64 C:1 13.67 -8.77 O 17.89 -13.98 O 15.47 -12.97 O 20.41 -13.98 O 22.04 -12.42 O 13.23 -12.45 O 14.51 -7.87 O 11.62 -8.94 C:7001 18.54 -15.21 C:5001 14.36 -13.80 C:8001 21.80 -14.20 C:9001 23.33 -11.94 C:3001 11.85 -12.75 C:15001 13.23 -7.33 C:6 17.42 -11.64 C:2001 10.41 -9.64 C:14 16.01 -8.18 C:2002 9.19 -8.94 C:13 17.42 -8.18 C:7 18.45 -12.66 C:5 16.01 -11.64 C:8 19.87 -12.66 C:9 20.88 -11.64 C:3 13.67 -11.08 C:10 20.88 -10.23 C:2 12.83 -9.93 C:4 15.02 -10.64 C:15 15.02 -9.22 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 46 9 -1 52 10 -1 52 11 -2 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 20 44 2 21 22 2 21 46 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 45 1 27 45 2 28 53 1 28 55 1 29 36 1 47 29 -1 30 37 1 48 30 -2 31 38 1 49 31 -2 32 39 1 50 32 -2 33 40 1 51 33 -1 34 41 1 55 34 -1 35 43 1 53 35 -2 42 47 1 42 48 1 43 45 1 44 46 1 44 55 1 47 49 1 48 54 1 49 50 1 50 52 1 51 53 1 51 54 1 54 55 1', '55 57 H 14.65 -11.56 C 17.98 -10.35 C 17.77 -16.38 C 14.36 -15.18 C 22.29 -15.48 C 24.39 -12.82 C 11.41 -14.10 C 13.05 -5.94 C 17.98 -6.89 C 21.80 -9.09 C 22.16 -10.72 C 11.62 -10.64 O 19.93 -15.21 O 13.17 -13.50 O 22.66 -13.12 O 23.77 -10.57 O 11.02 -11.62 O 12.22 -8.08 O 10.41 -11.04 O 15.47 -6.90 C 18.45 -9.22 C 19.87 -9.22 C 6.76 -7.55 C 7.98 -6.84 C 6.76 -8.95 C 9.19 -7.54 C 7.98 -9.64 C 13.67 -8.77 O 17.89 -13.98 O 15.47 -12.97 O 20.41 -13.98 O 22.04 -12.42 O 13.23 -12.45 O 14.51 -7.87 O 11.62 -8.94 C 18.54 -15.21 C 14.36 -13.80 C 21.80 -14.20 C 23.33 -11.94 C 11.85 -12.75 C 13.23 -7.33 C 17.42 -11.64 C 10.41 -9.64 C 16.01 -8.18 C 9.19 -8.94 C 17.42 -8.18 C 18.45 -12.66 C 16.01 -11.64 C 19.87 -12.66 C 20.88 -11.64 C 13.67 -11.08 C 20.88 -10.23 C 12.83 -9.93 C 15.02 -10.64 C 15.02 -9.22 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 46 9 -1 52 10 -1 52 11 -2 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 20 44 2 21 22 2 21 46 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 45 1 27 45 2 28 53 1 28 55 1 29 36 1 47 29 -1 30 37 1 48 30 -2 31 38 1 49 31 -2 32 39 1 50 32 -2 33 40 1 51 33 -1 34 41 1 55 34 -1 35 43 1 53 35 -2 42 47 1 42 48 1 43 45 1 44 46 1 44 55 1 47 49 1 48 54 1 49 50 1 50 52 1 51 53 1 51 54 1 54 55 1', '55 57 H 14.65 -11.56 C:120 17.98 -10.35 C:21 17.77 -16.38 C:21 14.36 -15.18 C:21 22.29 -15.48 C:21 24.39 -12.82 C:22 11.41 -14.10 C:21 13.05 -5.94 C:20 17.98 -6.89 C:23 21.80 -9.09 C:25 22.16 -10.72 C:19 11.62 -10.64 O 19.93 -15.21 O 13.17 -13.50 O 22.66 -13.12 O 23.77 -10.57 O 11.02 -11.62 O 12.22 -8.08 O 10.41 -11.04 O 15.47 -6.90 C:131 18.45 -9.22 C:135 19.87 -9.22 C:133 6.76 -7.55 C:128 7.98 -6.84 C:128 6.76 -8.95 C:130 9.19 -7.54 C:130 7.98 -9.64 C:47 13.67 -8.77 O 17.89 -13.98 O 15.47 -12.97 O 20.41 -13.98 O 22.04 -12.42 O 13.23 -12.45 O 14.51 -7.87 O 11.62 -8.94 C:169 18.54 -15.21 C:170 14.36 -13.80 C:169 21.80 -14.20 C:169 23.33 -11.94 C:170 11.85 -12.75 C:169 13.23 -7.33 C:139 17.42 -11.64 C:165 10.41 -9.64 C:204 16.01 -8.18 C:131 9.19 -8.94 C:44 17.42 -8.18 C:67 18.45 -12.66 C:71 16.01 -11.64 C:70 19.87 -12.66 C:81 20.88 -11.64 C:79 13.67 -11.08 C:40 20.88 -10.23 C:89 12.83 -9.93 C:46 15.02 -10.64 C:91 15.02 -9.22 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 46 9 -1 52 10 -1 52 11 -2 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 20 44 2 21 22 2 21 46 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 45 1 27 45 2 28 53 1 28 55 1 29 36 1 47 29 -1 30 37 1 48 30 -2 31 38 1 49 31 -2 32 39 1 50 32 -2 33 40 1 51 33 -1 34 41 1 55 34 -1 35 43 1 53 35 -2 42 47 1 42 48 1 43 45 1 44 46 1 44 55 1 47 49 1 48 54 1 49 50 1 50 52 1 51 53 1 51 54 1 54 55 1', 'C39H48O15', 756.416, 'C', 'np01_1064_5', 1338, '', '', '1', 36, NULL, NULL),
(8376, '', '(2S*,3S*,4R*,5R*,7S*,8R*,13S*,15R*)-5a,7b,8a-Triacetoxy-3b-benzoyloxy-15b-hydroxyjatropha-6(17),11E-diene-9,14-dione', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@@](C)(C)C=C[C@H](C)C(=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:51]12[C@@H:73](O[C:169]([CH3:21])=O)[C:138](=[CH2:9999])[C@H:64](O[C:170]([CH3:21])=O)[C@@H:73](O[C:170]([CH3:20])=O)[C:205](=O)[C@@:49]([CH3:24])([CH3:25])[CH:136]=[CH:132][C@H:44]([CH3:21])[C:212](=O)[C@@:85]1(O)[CH2:46][C@H:39]([CH3:14])[C@@H:78]2O[C:166](=O)[c:130]3[cH:130][cH:128][cH:133][cH:128][cH:130]3', '45 47 H 14.11 -10.89 C:17 17.45 -9.67 C:7002 17.24 -15.72 C:8002 21.74 -14.81 C:5002 13.81 -14.51 C:20 17.45 -6.23 C:16 10.84 -9.25 C:19 21.22 -8.41 C:18 21.61 -10.04 O 19.39 -14.54 O 22.11 -12.45 O 12.62 -12.84 O 10.47 -10.95 O 21.49 -11.75 O 14.89 -6.24 O 13.97 -7.21 C:12 17.91 -8.54 C:11 19.33 -8.54 C:3005 10.00 -16.09 C:3006 9.06 -15.05 C:3004 11.37 -15.80 C:3007 9.49 -13.73 C:3003 11.79 -14.47 C:1 13.12 -8.09 O 17.36 -13.32 O 19.87 -13.32 O 14.93 -12.30 O 12.68 -11.78 C:7001 18.00 -14.54 C:8001 21.25 -13.54 C:5001 13.81 -13.14 C:6 16.89 -10.97 C:3001 11.30 -12.08 C:9 20.34 -10.97 C:14 15.46 -7.52 C:3002 10.86 -13.44 C:13 16.89 -7.52 C:2 12.28 -9.25 C:7 17.91 -11.99 C:8 19.33 -11.99 C:5 15.46 -10.97 C:3 13.12 -10.40 C:10 20.34 -9.55 C:4 14.48 -9.96 C:15 14.48 -8.54 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 37 6 -1 38 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 15 35 2 45 16 -1 17 18 2 17 37 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 36 1 23 36 2 24 38 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 41 27 -2 28 33 1 42 28 -1 32 39 1 32 41 1 33 36 1 34 40 1 34 43 1 35 37 1 35 45 1 38 42 1 39 40 1 41 44 1 42 44 1 44 45 1', '45 47 H 14.11 -10.89 C 17.45 -9.67 C 17.24 -15.72 C 21.74 -14.81 C 13.81 -14.51 C 17.45 -6.23 C 10.84 -9.25 C 21.22 -8.41 C 21.61 -10.04 O 19.39 -14.54 O 22.11 -12.45 O 12.62 -12.84 O 10.47 -10.95 O 21.49 -11.75 O 14.89 -6.24 O 13.97 -7.21 C 17.91 -8.54 C 19.33 -8.54 C 10.00 -16.09 C 9.06 -15.05 C 11.37 -15.80 C 9.49 -13.73 C 11.79 -14.47 C 13.12 -8.09 O 17.36 -13.32 O 19.87 -13.32 O 14.93 -12.30 O 12.68 -11.78 C 18.00 -14.54 C 21.25 -13.54 C 13.81 -13.14 C 16.89 -10.97 C 11.30 -12.08 C 20.34 -10.97 C 15.46 -7.52 C 10.86 -13.44 C 16.89 -7.52 C 12.28 -9.25 C 17.91 -11.99 C 19.33 -11.99 C 15.46 -10.97 C 13.12 -10.40 C 20.34 -9.55 C 14.48 -9.96 C 14.48 -8.54 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 37 6 -1 38 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 15 35 2 45 16 -1 17 18 2 17 37 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 36 1 23 36 2 24 38 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 41 27 -2 28 33 1 42 28 -1 32 39 1 32 41 1 33 36 1 34 40 1 34 43 1 35 37 1 35 45 1 38 42 1 39 40 1 41 44 1 42 44 1 44 45 1', '45 47 H 14.11 -10.89 C 17.45 -9.67 C:21 17.24 -15.72 C:20 21.74 -14.81 C:21 13.81 -14.51 C:21 17.45 -6.23 C:14 10.84 -9.25 C:24 21.22 -8.41 C:25 21.61 -10.04 O 19.39 -14.54 O 22.11 -12.45 O 12.62 -12.84 O 10.47 -10.95 O 21.49 -11.75 O 14.89 -6.24 O 13.97 -7.21 C:132 17.91 -8.54 C:136 19.33 -8.54 C:133 10.00 -16.09 C:128 9.06 -15.05 C:128 11.37 -15.80 C:130 9.49 -13.73 C:130 11.79 -14.47 C:46 13.12 -8.09 O 17.36 -13.32 O 19.87 -13.32 O 14.93 -12.30 O 12.68 -11.78 C:170 18.00 -14.54 C:170 21.25 -13.54 C:169 13.81 -13.14 C:138 16.89 -10.97 C:166 11.30 -12.08 C:205 20.34 -10.97 C:212 15.46 -7.52 C:130 10.86 -13.44 C:44 16.89 -7.52 C:39 12.28 -9.25 C:64 17.91 -11.99 C:73 19.33 -11.99 C:73 15.46 -10.97 C:78 13.12 -10.40 C:49 20.34 -9.55 C:51 14.48 -9.96 C:85 14.48 -8.54 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 37 6 -1 38 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 15 35 2 45 16 -1 17 18 2 17 37 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 36 1 23 36 2 24 38 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 41 27 -2 28 33 1 42 28 -1 32 39 1 32 41 1 33 36 1 34 40 1 34 43 1 35 37 1 35 45 1 38 42 1 39 40 1 41 44 1 42 44 1 44 45 1', 'C33H40O11', 612.354, 'C', 'np03_976_1', 895, '', '', '1', 36, NULL, NULL),
(8377, '', '(2S*,3S*,4R*,5R*,7S*,8S*,9S*13S*,15R*)-5a,7b,8a,9a,-15b-Pentaacetoxy-3b-benzoyloxyjatropha-6(17),11E-dien-14-one', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(C)C=C[C@H](C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:50]12[C@@H:69](O[C:168]([CH3:20])=O)[C:142](=[CH2:116])[C@H:68](O[C:170]([CH3:21])=O)[C@@H:70](O[C:170]([CH3:21])=O)[C@@H:81](O[C:170]([CH3:21])=O)[C@:40]([CH3:23])([CH3:26])[CH:136]=[CH:131][C@H:45]([CH3:20])[C:204](=O)[C@@:93]1(O[C:170]([CH3:21])=O)[CH2:43][C@H:38]([CH3:14])[C@@H:76]2O[C:165](=O)[c:130]3[cH:130][cH:128][cH:133][cH:128][cH:130]3', '51 53 H 13.20 -11.39 C:17 16.54 -10.17 C:7002 16.33 -16.22 C:5002 12.90 -15.01 C:8002 20.83 -15.31 C:9002 22.94 -12.65 C:15002 11.81 -5.68 C:20 16.54 -6.73 C:16 9.93 -9.75 C:18 20.70 -10.54 C:19 20.31 -8.91 O 18.48 -15.04 O 11.71 -13.34 O 21.20 -12.95 O 22.32 -10.39 O 10.62 -7.82 O 9.56 -11.45 O 13.98 -6.74 C:12 17.00 -9.04 C:11 18.42 -9.04 C:3005 9.09 -16.59 C:3004 10.46 -16.30 C:3006 8.15 -15.55 C:3003 10.88 -14.97 C:3007 8.58 -14.23 C:1 12.21 -8.59 O 16.45 -13.82 O 14.02 -12.80 O 18.96 -13.82 O 20.58 -12.25 O 11.77 -12.28 O 13.06 -7.71 C:7001 17.09 -15.04 C:5001 12.90 -13.64 C:8001 20.34 -14.04 C:9001 21.88 -11.77 C:15001 11.81 -7.08 C:6 15.98 -11.47 C:3001 10.39 -12.58 C:14 14.55 -8.02 C:3002 9.95 -13.94 C:13 15.98 -8.02 C:2 11.37 -9.75 C:7 17.00 -12.49 C:5 14.55 -11.47 C:8 18.42 -12.49 C:3 12.21 -10.90 C:9 19.43 -11.47 C:10 19.43 -10.05 C:4 13.57 -10.46 C:15 13.57 -9.04 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -2 49 11 -1 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 2 21 23 1 22 24 1 23 25 2 24 41 2 25 41 1 26 43 1 26 51 1 27 33 1 44 27 -1 28 34 1 45 28 -2 29 35 1 46 29 -2 30 36 1 48 30 -2 31 39 1 47 31 -1 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', '51 53 H 13.20 -11.39 C 16.54 -10.17 C 16.33 -16.22 C 12.90 -15.01 C 20.83 -15.31 C 22.94 -12.65 C 11.81 -5.68 C 16.54 -6.73 C 9.93 -9.75 C 20.70 -10.54 C 20.31 -8.91 O 18.48 -15.04 O 11.71 -13.34 O 21.20 -12.95 O 22.32 -10.39 O 10.62 -7.82 O 9.56 -11.45 O 13.98 -6.74 C 17.00 -9.04 C 18.42 -9.04 C 9.09 -16.59 C 10.46 -16.30 C 8.15 -15.55 C 10.88 -14.97 C 8.58 -14.23 C 12.21 -8.59 O 16.45 -13.82 O 14.02 -12.80 O 18.96 -13.82 O 20.58 -12.25 O 11.77 -12.28 O 13.06 -7.71 C 17.09 -15.04 C 12.90 -13.64 C 20.34 -14.04 C 21.88 -11.77 C 11.81 -7.08 C 15.98 -11.47 C 10.39 -12.58 C 14.55 -8.02 C 9.95 -13.94 C 15.98 -8.02 C 11.37 -9.75 C 17.00 -12.49 C 14.55 -11.47 C 18.42 -12.49 C 12.21 -10.90 C 19.43 -11.47 C 19.43 -10.05 C 13.57 -10.46 C 13.57 -9.04 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -2 49 11 -1 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 2 21 23 1 22 24 1 23 25 2 24 41 2 25 41 1 26 43 1 26 51 1 27 33 1 44 27 -1 28 34 1 45 28 -2 29 35 1 46 29 -2 30 36 1 48 30 -2 31 39 1 47 31 -1 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', '51 53 H 13.20 -11.39 C:116 16.54 -10.17 C:21 16.33 -16.22 C:20 12.90 -15.01 C:21 20.83 -15.31 C:21 22.94 -12.65 C:21 11.81 -5.68 C:20 16.54 -6.73 C:14 9.93 -9.75 C:23 20.70 -10.54 C:26 20.31 -8.91 O 18.48 -15.04 O 11.71 -13.34 O 21.20 -12.95 O 22.32 -10.39 O 10.62 -7.82 O 9.56 -11.45 O 13.98 -6.74 C:131 17.00 -9.04 C:136 18.42 -9.04 C:133 9.09 -16.59 C:128 10.46 -16.30 C:128 8.15 -15.55 C:130 10.88 -14.97 C:130 8.58 -14.23 C:43 12.21 -8.59 O 16.45 -13.82 O 14.02 -12.80 O 18.96 -13.82 O 20.58 -12.25 O 11.77 -12.28 O 13.06 -7.71 C:170 17.09 -15.04 C:168 12.90 -13.64 C:170 20.34 -14.04 C:170 21.88 -11.77 C:170 11.81 -7.08 C:142 15.98 -11.47 C:165 10.39 -12.58 C:204 14.55 -8.02 C:130 9.95 -13.94 C:45 15.98 -8.02 C:38 11.37 -9.75 C:68 17.00 -12.49 C:69 14.55 -11.47 C:70 18.42 -12.49 C:76 12.21 -10.90 C:81 19.43 -11.47 C:40 19.43 -10.05 C:50 13.57 -10.46 C:93 13.57 -9.04 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -2 49 11 -1 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 2 21 23 1 22 24 1 23 25 2 24 41 2 25 41 1 26 43 1 26 51 1 27 33 1 44 27 -1 28 34 1 45 28 -2 29 35 1 46 29 -2 30 36 1 48 30 -2 31 39 1 47 31 -1 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', 'C37H46O13', 698.396, 'C', 'np03_976_2', 895, '', '', '1', 36, NULL, NULL),
(8378, '', '(2S*,3S*,4R*,5R*,7S*,8S*,9S*13S*,15R*)-3b,7b,8a,9a,-15b-Pentaacetoxy-5a-benzoyloxyjatropha-6(17),11E-dien-14-one', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001](=O)[c:5002]1[cH:5007][cH:5006][cH:5005][cH:5004][cH:5003]1)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(=O)c1ccccc1)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C)C=C[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@@H]3OC(C)=O', '[H][C@@:50]23[C@@H:69](O[C:164](=O)[c:130]1[cH:130][cH:128][cH:133][cH:128][cH:130]1)[C:142](=[CH2:116])[C@H:68](O[C:170]([CH3:21])=O)[C@@H:70](O[C:170]([CH3:21])=O)[C@@H:81](O[C:170]([CH3:21])=O)[C@@:41]([CH3:26])([CH3:23])[CH:136]=[CH:131][C@H:45]([CH3:20])[C:204](=O)[C@@:92]2(O[C:170]([CH3:21])=O)[CH2:43][C@H:38]([CH3:14])[C@@H:76]3O[C:170]([CH3:22])=O', '51 53 H 12.51 -10.82 C:17 15.85 -9.60 C:7002 15.64 -15.65 C:8002 20.14 -14.74 C:3002 9.27 -13.37 C:9002 22.25 -12.08 C:15002 11.12 -5.11 C:20 15.85 -6.16 C:16 9.25 -9.18 C:19 19.62 -8.34 C:18 20.01 -9.97 O 17.79 -14.47 O 20.51 -12.38 O 8.88 -10.88 O 21.63 -9.82 O 9.94 -7.25 O 11.02 -12.77 O 13.29 -6.17 C:12 16.31 -8.47 C:11 17.73 -8.47 C:5005 12.21 -17.23 C:5006 10.99 -16.54 C:5004 13.42 -16.54 C:5007 10.99 -15.14 C:5003 13.42 -15.14 C:1 11.52 -8.02 O 15.76 -13.25 O 18.27 -13.25 O 11.08 -11.71 O 19.89 -11.68 O 13.33 -12.23 O 12.37 -7.14 C:7001 16.40 -14.47 C:8001 19.65 -13.47 C:3001 9.71 -12.01 C:9001 21.19 -11.20 C:15001 11.12 -6.51 C:6 15.29 -10.90 C:5001 12.21 -13.07 C:14 13.86 -7.45 C:5002 12.21 -14.44 C:13 15.29 -7.45 C:2 10.69 -9.18 C:7 16.31 -11.92 C:5 13.86 -10.90 C:8 17.73 -11.92 C:3 11.52 -10.33 C:9 18.74 -10.90 C:10 18.74 -9.48 C:4 12.88 -9.89 C:15 12.88 -8.47 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -1 49 11 -2 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 1 21 23 2 22 24 2 23 25 1 24 41 1 25 41 2 26 43 1 26 51 1 27 33 1 44 27 -1 28 34 1 46 28 -2 29 35 1 47 29 -1 30 36 1 48 30 -2 31 39 1 45 31 -2 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', '51 53 H 12.51 -10.82 C 15.85 -9.60 C 15.64 -15.65 C 20.14 -14.74 C 9.27 -13.37 C 22.25 -12.08 C 11.12 -5.11 C 15.85 -6.16 C 9.25 -9.18 C 19.62 -8.34 C 20.01 -9.97 O 17.79 -14.47 O 20.51 -12.38 O 8.88 -10.88 O 21.63 -9.82 O 9.94 -7.25 O 11.02 -12.77 O 13.29 -6.17 C 16.31 -8.47 C 17.73 -8.47 C 12.21 -17.23 C 10.99 -16.54 C 13.42 -16.54 C 10.99 -15.14 C 13.42 -15.14 C 11.52 -8.02 O 15.76 -13.25 O 18.27 -13.25 O 11.08 -11.71 O 19.89 -11.68 O 13.33 -12.23 O 12.37 -7.14 C 16.40 -14.47 C 19.65 -13.47 C 9.71 -12.01 C 21.19 -11.20 C 11.12 -6.51 C 15.29 -10.90 C 12.21 -13.07 C 13.86 -7.45 C 12.21 -14.44 C 15.29 -7.45 C 10.69 -9.18 C 16.31 -11.92 C 13.86 -10.90 C 17.73 -11.92 C 11.52 -10.33 C 18.74 -10.90 C 18.74 -9.48 C 12.88 -9.89 C 12.88 -8.47 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -1 49 11 -2 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 1 21 23 2 22 24 2 23 25 1 24 41 1 25 41 2 26 43 1 26 51 1 27 33 1 44 27 -1 28 34 1 46 28 -2 29 35 1 47 29 -1 30 36 1 48 30 -2 31 39 1 45 31 -2 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', '51 53 H 12.51 -10.82 C:116 15.85 -9.60 C:21 15.64 -15.65 C:21 20.14 -14.74 C:22 9.27 -13.37 C:21 22.25 -12.08 C:21 11.12 -5.11 C:20 15.85 -6.16 C:14 9.25 -9.18 C:26 19.62 -8.34 C:23 20.01 -9.97 O 17.79 -14.47 O 20.51 -12.38 O 8.88 -10.88 O 21.63 -9.82 O 9.94 -7.25 O 11.02 -12.77 O 13.29 -6.17 C:131 16.31 -8.47 C:136 17.73 -8.47 C:133 12.21 -17.23 C:128 10.99 -16.54 C:128 13.42 -16.54 C:130 10.99 -15.14 C:130 13.42 -15.14 C:43 11.52 -8.02 O 15.76 -13.25 O 18.27 -13.25 O 11.08 -11.71 O 19.89 -11.68 O 13.33 -12.23 O 12.37 -7.14 C:170 16.40 -14.47 C:170 19.65 -13.47 C:170 9.71 -12.01 C:170 21.19 -11.20 C:170 11.12 -6.51 C:142 15.29 -10.90 C:164 12.21 -13.07 C:204 13.86 -7.45 C:130 12.21 -14.44 C:45 15.29 -7.45 C:38 10.69 -9.18 C:68 16.31 -11.92 C:69 13.86 -10.90 C:70 17.73 -11.92 C:76 11.52 -10.33 C:81 18.74 -10.90 C:41 18.74 -9.48 C:50 12.88 -9.89 C:92 12.88 -8.47 50 1 -2 2 38 2 3 33 1 4 34 1 5 35 1 6 36 1 7 37 1 42 8 -1 43 9 -1 49 10 -1 49 11 -2 12 33 2 13 34 2 14 35 2 15 36 2 16 37 2 17 39 2 18 40 2 19 20 2 19 42 1 20 49 1 21 22 1 21 23 2 22 24 2 23 25 1 24 41 1 25 41 2 26 43 1 26 51 1 27 33 1 44 27 -1 28 34 1 46 28 -2 29 35 1 47 29 -1 30 36 1 48 30 -2 31 39 1 45 31 -2 32 37 1 51 32 -1 38 44 1 38 45 1 39 41 1 40 42 1 40 51 1 43 47 1 44 46 1 45 50 1 46 48 1 47 50 1 48 49 1 50 51 1', 'C37H46O13', 698.396, 'C', 'np03_976_3', 895, '', '', '1', 36, NULL, NULL),
(8379, 'Pubescenol', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[CH2:17]=[C:6]3[CH2:7][C@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001](=O)[c:3002]1[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]1)[C@:4]2(O)[C@H:5]3O[C:5001]([CH3:5002])=O', 'C=C3C[C@H](OC(C)=O)C(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]2(O)[C@H]3OC(C)=O', '[CH2:120]=[C:136]3[CH2:31][C@H:72](O[C:170]([CH3:21])=O)[C:209](=O)[C@:50]([CH3:24])([CH3:24])[CH:135]=[CH:133][C@@H:47]([CH3:19])[C:205](=O)[C@@:95]2(O[C:169]([CH3:22])=O)[CH2:39][C@H:39]([CH3:20])[C@H:87](O[C:165](=O)[c:129]1[cH:130][cH:129][cH:134][cH:129][cH:130]1)[C@:89]2(O)[C@H:76]3O[C:168]([CH3:21])=O', '44 46 C:17 17.44 -10.18 C:8002 21.68 -15.28 C:5002 15.25 -15.19 C:15002 12.72 -5.73 C:20 17.44 -6.79 C:16 10.92 -9.77 C:18 21.56 -10.55 C:19 21.20 -8.93 O 22.05 -12.94 O 17.18 -13.73 O 11.57 -7.86 O 10.53 -11.45 O 14.94 -6.79 O 21.44 -12.27 O 14.24 -11.83 C:12 17.89 -9.06 C:11 19.30 -9.06 C:3005 10.06 -16.55 C:3004 11.41 -16.26 C:3006 9.13 -15.52 C:3003 11.83 -14.95 C:3007 9.56 -14.20 C:7 17.89 -12.48 C:1 13.15 -8.61 O 19.83 -13.79 O 14.94 -12.79 O 12.72 -12.27 O 13.99 -7.75 C:8001 21.20 -14.01 C:5001 15.79 -13.91 C:15001 12.72 -7.12 C:6 16.88 -11.45 C:3001 11.34 -12.57 C:14 15.47 -8.06 C:9 20.30 -11.47 C:3002 10.92 -13.91 C:13 16.88 -8.06 C:2 12.32 -9.77 C:8 19.30 -12.48 C:5 15.47 -11.45 C:3 13.15 -10.91 C:10 20.30 -10.07 C:4 14.50 -10.47 C:15 14.50 -9.06 1 32 2 2 29 1 3 30 1 4 31 1 37 5 -2 38 6 -1 42 7 -2 42 8 -1 9 29 2 10 30 2 11 31 2 12 33 2 13 34 2 14 35 2 43 15 -2 16 17 2 16 37 1 17 42 1 18 19 2 18 20 1 19 21 1 20 22 2 21 36 2 22 36 1 23 32 1 23 39 1 24 38 1 24 44 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 33 1 41 27 -1 28 31 1 44 28 -1 32 40 1 33 36 1 34 37 1 34 44 1 35 39 1 35 42 1 38 41 1 40 43 1 41 43 1 43 44 1', '44 46 C 17.44 -10.18 C 21.68 -15.28 C 15.25 -15.19 C 12.72 -5.73 C 17.44 -6.79 C 10.92 -9.77 C 21.56 -10.55 C 21.20 -8.93 O 22.05 -12.94 O 17.18 -13.73 O 11.57 -7.86 O 10.53 -11.45 O 14.94 -6.79 O 21.44 -12.27 O 14.24 -11.83 C 17.89 -9.06 C 19.30 -9.06 C 10.06 -16.55 C 11.41 -16.26 C 9.13 -15.52 C 11.83 -14.95 C 9.56 -14.20 C 17.89 -12.48 C 13.15 -8.61 O 19.83 -13.79 O 14.94 -12.79 O 12.72 -12.27 O 13.99 -7.75 C 21.20 -14.01 C 15.79 -13.91 C 12.72 -7.12 C 16.88 -11.45 C 11.34 -12.57 C 15.47 -8.06 C 20.30 -11.47 C 10.92 -13.91 C 16.88 -8.06 C 12.32 -9.77 C 19.30 -12.48 C 15.47 -11.45 C 13.15 -10.91 C 20.30 -10.07 C 14.50 -10.47 C 14.50 -9.06 1 32 2 2 29 1 3 30 1 4 31 1 37 5 -2 38 6 -1 42 7 -2 42 8 -1 9 29 2 10 30 2 11 31 2 12 33 2 13 34 2 14 35 2 43 15 -2 16 17 2 16 37 1 17 42 1 18 19 2 18 20 1 19 21 1 20 22 2 21 36 2 22 36 1 23 32 1 23 39 1 24 38 1 24 44 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 33 1 41 27 -1 28 31 1 44 28 -1 32 40 1 33 36 1 34 37 1 34 44 1 35 39 1 35 42 1 38 41 1 40 43 1 41 43 1 43 44 1', '44 46 C:120 17.44 -10.18 C:21 21.68 -15.28 C:21 15.25 -15.19 C:22 12.72 -5.73 C:19 17.44 -6.79 C:20 10.92 -9.77 C:24 21.56 -10.55 C:24 21.20 -8.93 O 22.05 -12.94 O 17.18 -13.73 O 11.57 -7.86 O 10.53 -11.45 O 14.94 -6.79 O 21.44 -12.27 O 14.24 -11.83 C:133 17.89 -9.06 C:135 19.30 -9.06 C:134 10.06 -16.55 C:129 11.41 -16.26 C:129 9.13 -15.52 C:130 11.83 -14.95 C:130 9.56 -14.20 C:31 17.89 -12.48 C:39 13.15 -8.61 O 19.83 -13.79 O 14.94 -12.79 O 12.72 -12.27 O 13.99 -7.75 C:170 21.20 -14.01 C:168 15.79 -13.91 C:169 12.72 -7.12 C:136 16.88 -11.45 C:165 11.34 -12.57 C:205 15.47 -8.06 C:209 20.30 -11.47 C:129 10.92 -13.91 C:47 16.88 -8.06 C:39 12.32 -9.77 C:72 19.30 -12.48 C:76 15.47 -11.45 C:87 13.15 -10.91 C:50 20.30 -10.07 C:89 14.50 -10.47 C:95 14.50 -9.06 1 32 2 2 29 1 3 30 1 4 31 1 37 5 -2 38 6 -1 42 7 -2 42 8 -1 9 29 2 10 30 2 11 31 2 12 33 2 13 34 2 14 35 2 43 15 -2 16 17 2 16 37 1 17 42 1 18 19 2 18 20 1 19 21 1 20 22 2 21 36 2 22 36 1 23 32 1 23 39 1 24 38 1 24 44 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 33 1 41 27 -1 28 31 1 44 28 -1 32 40 1 33 36 1 34 37 1 34 44 1 35 39 1 35 42 1 38 41 1 40 43 1 41 43 1 43 44 1', 'C33H40O11', 612.346, 'C', 'np04_902_1', 2350, '', '', '1', 36, 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
(8380, 'Kansuinin F', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]45[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001](=O)[c:8002]1[cH:8007][cH:8006][cH:8005][cH:8004][cH:8003]1)[C@@H:9](O[C:9001](=O)[c:9002]2[cH:9003][cH:9004][cH:9005][cH:9006][cH:9007]2)[C@@:10]([CH3:19])([CH3:18])[C@H:11]3O[C@@H:12]3[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]4(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]5O[C:3001]([CH3:3002])=O', '[H][C@@]45[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)[C@@](C)(C)[C@H]3O[C@@H]3[C@@H](C)C(=O)[C@@]4(OC(C)=O)C[C@H](C)[C@@H]5OC(C)=O', '[H][C@@:55]45[C@@H:68](O[C:169]([CH3:20])=O)[C:143](=[CH2:112])[C@H:71](O[C:170]([CH3:21])=O)[C@@H:70](O[C:165](=O)[c:130]1[cH:130][cH:128][cH:134][cH:128][cH:130]1)[C@@H:79](O[C:165](=O)[c:130]2[cH:130][cH:129][cH:134][cH:129][cH:130]2)[C@@:39]([CH3:26])([CH3:18])[C@H:62]3O[C@@H:58]3[C@@H:44]([CH3:18])[C:216](=O)[C@@:93]4(O[C:170]([CH3:21])=O)[CH2:46][C@H:39]([CH3:13])[C@@H:76]5O[C:170]([CH3:21])=O', '57 61 H 11.29 -10.82 C:17 14.63 -9.60 C:7002 14.42 -15.66 C:5002 10.99 -14.44 C:3002 8.05 -13.37 C:15002 9.89 -5.16 C:16 8.05 -9.18 C:20 14.63 -6.17 C:19 18.43 -8.35 C:18 18.79 -9.97 O 16.58 -14.47 O 9.81 -12.77 O 7.66 -10.88 O 8.70 -7.30 O 19.29 -12.38 O 20.40 -9.82 O 12.11 -6.18 C:8005 20.40 -17.16 C:9005 23.49 -13.46 C:8006 19.00 -17.16 C:8004 21.06 -15.90 C:9004 23.49 -12.06 C:9006 22.28 -14.17 C:8007 18.26 -15.98 C:8003 20.32 -14.74 C:9003 22.28 -11.37 C:9007 21.06 -13.48 C:1 10.31 -8.03 O 14.54 -13.25 O 12.11 -12.23 O 9.87 -11.71 O 17.05 -13.25 O 18.67 -11.68 O 11.15 -7.15 O 15.81 -7.27 C:7001 15.19 -14.47 C:5001 10.99 -13.07 C:3001 8.49 -12.01 C:15001 9.89 -6.56 C:6 14.07 -10.90 C:8001 18.43 -13.47 C:9001 19.97 -11.20 C:14 12.64 -7.46 C:8002 18.92 -14.74 C:9002 21.06 -12.08 C:2 9.47 -9.18 C:13 14.07 -7.46 C:7 15.10 -11.92 C:5 12.64 -10.90 C:8 16.52 -11.92 C:12 15.10 -8.48 C:3 10.31 -10.33 C:9 17.52 -10.90 C:11 16.52 -8.48 C:10 17.52 -9.48 C:4 11.66 -9.89 C:15 11.66 -8.48 56 1 -2 2 40 2 3 36 1 4 37 1 5 38 1 6 39 1 46 7 -1 47 8 -2 55 9 -1 55 10 -2 11 36 2 12 37 2 13 38 2 14 39 2 15 41 2 16 42 2 17 43 2 18 20 1 18 21 2 19 22 2 19 23 1 20 24 2 21 25 1 22 26 1 23 27 2 24 44 1 25 44 2 26 45 2 27 45 1 28 46 1 28 57 1 29 36 1 48 29 -1 30 37 1 49 30 -2 31 38 1 52 31 -1 32 41 1 50 32 -2 33 42 1 53 33 -2 34 39 1 57 34 -1 51 35 -1 54 35 -2 40 48 1 40 49 1 41 44 1 42 45 1 43 47 1 43 57 1 46 52 1 47 51 1 48 50 1 49 56 1 50 53 1 51 54 1 52 56 1 53 55 1 54 55 1 56 57 1', '57 61 H 11.29 -10.82 C 14.63 -9.60 C 14.42 -15.66 C 10.99 -14.44 C 8.05 -13.37 C 9.89 -5.16 C 8.05 -9.18 C 14.63 -6.17 C 18.43 -8.35 C 18.79 -9.97 O 16.58 -14.47 O 9.81 -12.77 O 7.66 -10.88 O 8.70 -7.30 O 19.29 -12.38 O 20.40 -9.82 O 12.11 -6.18 C 20.40 -17.16 C 23.49 -13.46 C 19.00 -17.16 C 21.06 -15.90 C 23.49 -12.06 C 22.28 -14.17 C 18.26 -15.98 C 20.32 -14.74 C 22.28 -11.37 C 21.06 -13.48 C 10.31 -8.03 O 14.54 -13.25 O 12.11 -12.23 O 9.87 -11.71 O 17.05 -13.25 O 18.67 -11.68 O 11.15 -7.15 O 15.81 -7.27 C 15.19 -14.47 C 10.99 -13.07 C 8.49 -12.01 C 9.89 -6.56 C 14.07 -10.90 C 18.43 -13.47 C 19.97 -11.20 C 12.64 -7.46 C 18.92 -14.74 C 21.06 -12.08 C 9.47 -9.18 C 14.07 -7.46 C 15.10 -11.92 C 12.64 -10.90 C 16.52 -11.92 C 15.10 -8.48 C 10.31 -10.33 C 17.52 -10.90 C 16.52 -8.48 C 17.52 -9.48 C 11.66 -9.89 C 11.66 -8.48 56 1 -2 2 40 2 3 36 1 4 37 1 5 38 1 6 39 1 46 7 -1 47 8 -2 55 9 -1 55 10 -2 11 36 2 12 37 2 13 38 2 14 39 2 15 41 2 16 42 2 17 43 2 18 20 1 18 21 2 19 22 2 19 23 1 20 24 2 21 25 1 22 26 1 23 27 2 24 44 1 25 44 2 26 45 2 27 45 1 28 46 1 28 57 1 29 36 1 48 29 -1 30 37 1 49 30 -2 31 38 1 52 31 -1 32 41 1 50 32 -2 33 42 1 53 33 -2 34 39 1 57 34 -1 51 35 -1 54 35 -2 40 48 1 40 49 1 41 44 1 42 45 1 43 47 1 43 57 1 46 52 1 47 51 1 48 50 1 49 56 1 50 53 1 51 54 1 52 56 1 53 55 1 54 55 1 56 57 1', '57 61 H 11.29 -10.82 C:112 14.63 -9.60 C:21 14.42 -15.66 C:20 10.99 -14.44 C:21 8.05 -13.37 C:21 9.89 -5.16 C:13 8.05 -9.18 C:18 14.63 -6.17 C:26 18.43 -8.35 C:18 18.79 -9.97 O 16.58 -14.47 O 9.81 -12.77 O 7.66 -10.88 O 8.70 -7.30 O 19.29 -12.38 O 20.40 -9.82 O 12.11 -6.18 C:134 20.40 -17.16 C:134 23.49 -13.46 C:128 19.00 -17.16 C:128 21.06 -15.90 C:129 23.49 -12.06 C:129 22.28 -14.17 C:130 18.26 -15.98 C:130 20.32 -14.74 C:130 22.28 -11.37 C:130 21.06 -13.48 C:46 10.31 -8.03 O 14.54 -13.25 O 12.11 -12.23 O 9.87 -11.71 O 17.05 -13.25 O 18.67 -11.68 O 11.15 -7.15 O 15.81 -7.27 C:170 15.19 -14.47 C:169 10.99 -13.07 C:170 8.49 -12.01 C:170 9.89 -6.56 C:143 14.07 -10.90 C:165 18.43 -13.47 C:165 19.97 -11.20 C:216 12.64 -7.46 C:130 18.92 -14.74 C:130 21.06 -12.08 C:39 9.47 -9.18 C:44 14.07 -7.46 C:71 15.10 -11.92 C:68 12.64 -10.90 C:70 16.52 -11.92 C:58 15.10 -8.48 C:76 10.31 -10.33 C:79 17.52 -10.90 C:62 16.52 -8.48 C:39 17.52 -9.48 C:55 11.66 -9.89 C:93 11.66 -8.48 56 1 -2 2 40 2 3 36 1 4 37 1 5 38 1 6 39 1 46 7 -1 47 8 -2 55 9 -1 55 10 -2 11 36 2 12 37 2 13 38 2 14 39 2 15 41 2 16 42 2 17 43 2 18 20 1 18 21 2 19 22 2 19 23 1 20 24 2 21 25 1 22 26 1 23 27 2 24 44 1 25 44 2 26 45 2 27 45 1 28 46 1 28 57 1 29 36 1 48 29 -1 30 37 1 49 30 -2 31 38 1 52 31 -1 32 41 1 50 32 -2 33 42 1 53 33 -2 34 39 1 57 34 -1 51 35 -1 54 35 -2 40 48 1 40 49 1 41 44 1 42 45 1 43 47 1 43 57 1 46 52 1 47 51 1 48 50 1 49 56 1 50 53 1 51 54 1 52 56 1 53 55 1 54 55 1 56 57 1', 'C42H48O14', 776.449, 'C', 'np04_1548_1', 1750, '', '', '1', 36, NULL, NULL),
(8381, 'Kansuinin G', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]34[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:8][C@@H:9](O[C:9001](=O)[c:9002]1[cH:9006][cH:9005][cH:9004]n[cH:9003]1)[C@:10]([CH3:18])([CH3:19])[C@H:11]2O[C@@H:12]2[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]3(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]4O[C:3001]([CH3:3002])=O', '[H][C@@]34[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)C[C@@H](OC(=O)c1cccnc1)[C@](C)(C)[C@H]2O[C@@H]2[C@@H](C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@@H]4OC(C)=O', '[H][C@@:55]34[C@@H:68](O[C:169]([CH3:21])=O)[C:139](=[CH2:115])[C@H:70](O[C:169]([CH3:20])=O)[CH2:32][C@@H:73](O[C:163](=O)[c:126]1[cH:124][cH:137][cH:153]n[cH:150]1)[C@:40]([CH3:13])([CH3:24])[C@H:64]2O[C@@H:59]2[C@@H:43]([CH3:17])[C:217](=O)[C@@:93]3(O[C:170]([CH3:21])=O)[CH2:47][C@H:39]([CH3:13])[C@@H:76]4O[C:169]([CH3:21])=O', '48 51 H 11.29 -11.54 C:17 14.63 -10.33 C:7002 14.42 -16.38 C:5002 10.99 -15.16 C:3002 8.05 -14.10 C:15002 9.89 -5.89 C:16 8.05 -9.91 C:20 14.63 -6.90 C:18 18.79 -10.70 C:19 18.40 -9.08 O 16.58 -15.19 O 9.81 -13.50 O 7.66 -11.60 O 8.70 -8.03 O 20.41 -10.55 O 12.11 -6.91 C:9005 22.27 -14.89 C:9004 23.47 -14.19 C:9006 21.05 -14.21 C:9003 22.27 -12.10 C:8 16.52 -12.65 C:1 10.31 -8.76 N 23.47 -12.79 O 14.54 -13.98 O 12.11 -12.96 O 9.87 -12.44 O 18.67 -12.41 O 11.15 -7.88 O 15.81 -8.00 C:7001 15.19 -15.19 C:5001 10.99 -13.80 C:3001 8.49 -12.74 C:15001 9.89 -7.29 C:6 14.07 -11.62 C:9001 19.97 -11.93 C:14 12.64 -8.19 C:9002 21.05 -12.81 C:2 9.47 -9.91 C:13 14.07 -8.19 C:7 15.10 -12.65 C:9 17.52 -11.62 C:5 12.64 -11.62 C:12 15.10 -9.21 C:3 10.31 -11.06 C:11 16.52 -9.21 C:10 17.52 -10.21 C:4 11.65 -10.62 C:15 11.65 -9.21 47 1 -2 2 34 2 3 30 1 4 31 1 5 32 1 6 33 1 38 7 -1 39 8 -2 46 9 -2 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 18 2 17 19 1 18 23 1 19 37 2 20 23 2 20 37 1 21 40 1 21 41 1 22 38 1 22 48 1 24 30 1 40 24 -1 25 31 1 42 25 -2 26 32 1 44 26 -1 27 35 1 41 27 -2 28 33 1 48 28 -1 43 29 -1 45 29 -2 34 40 1 34 42 1 35 37 1 36 39 1 36 48 1 38 44 1 39 43 1 41 46 1 42 47 1 43 45 1 44 47 1 45 46 1 47 48 1', '48 51 H 11.29 -11.54 C 14.63 -10.33 C 14.42 -16.38 C 10.99 -15.16 C 8.05 -14.10 C 9.89 -5.89 C 8.05 -9.91 C 14.63 -6.90 C 18.79 -10.70 C 18.40 -9.08 O 16.58 -15.19 O 9.81 -13.50 O 7.66 -11.60 O 8.70 -8.03 O 20.41 -10.55 O 12.11 -6.91 C 22.27 -14.89 C 23.47 -14.19 C 21.05 -14.21 C 22.27 -12.10 C 16.52 -12.65 C 10.31 -8.76 N 23.47 -12.79 O 14.54 -13.98 O 12.11 -12.96 O 9.87 -12.44 O 18.67 -12.41 O 11.15 -7.88 O 15.81 -8.00 C 15.19 -15.19 C 10.99 -13.80 C 8.49 -12.74 C 9.89 -7.29 C 14.07 -11.62 C 19.97 -11.93 C 12.64 -8.19 C 21.05 -12.81 C 9.47 -9.91 C 14.07 -8.19 C 15.10 -12.65 C 17.52 -11.62 C 12.64 -11.62 C 15.10 -9.21 C 10.31 -11.06 C 16.52 -9.21 C 17.52 -10.21 C 11.65 -10.62 C 11.65 -9.21 47 1 -2 2 34 2 3 30 1 4 31 1 5 32 1 6 33 1 38 7 -1 39 8 -2 46 9 -2 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 18 2 17 19 1 18 23 1 19 37 2 20 23 2 20 37 1 21 40 1 21 41 1 22 38 1 22 48 1 24 30 1 40 24 -1 25 31 1 42 25 -2 26 32 1 44 26 -1 27 35 1 41 27 -2 28 33 1 48 28 -1 43 29 -1 45 29 -2 34 40 1 34 42 1 35 37 1 36 39 1 36 48 1 38 44 1 39 43 1 41 46 1 42 47 1 43 45 1 44 47 1 45 46 1 47 48 1', '48 51 H 11.29 -11.54 C:115 14.63 -10.33 C:20 14.42 -16.38 C:21 10.99 -15.16 C:21 8.05 -14.10 C:21 9.89 -5.89 C:13 8.05 -9.91 C:17 14.63 -6.90 C:13 18.79 -10.70 C:24 18.40 -9.08 O 16.58 -15.19 O 9.81 -13.50 O 7.66 -11.60 O 8.70 -8.03 O 20.41 -10.55 O 12.11 -6.91 C:137 22.27 -14.89 C:153 23.47 -14.19 C:124 21.05 -14.21 C:150 22.27 -12.10 C:32 16.52 -12.65 C:47 10.31 -8.76 N 23.47 -12.79 O 14.54 -13.98 O 12.11 -12.96 O 9.87 -12.44 O 18.67 -12.41 O 11.15 -7.88 O 15.81 -8.00 C:169 15.19 -15.19 C:169 10.99 -13.80 C:169 8.49 -12.74 C:170 9.89 -7.29 C:139 14.07 -11.62 C:163 19.97 -11.93 C:217 12.64 -8.19 C:126 21.05 -12.81 C:39 9.47 -9.91 C:43 14.07 -8.19 C:70 15.10 -12.65 C:73 17.52 -11.62 C:68 12.64 -11.62 C:59 15.10 -9.21 C:76 10.31 -11.06 C:64 16.52 -9.21 C:40 17.52 -10.21 C:55 11.65 -10.62 C:93 11.65 -9.21 47 1 -2 2 34 2 3 30 1 4 31 1 5 32 1 6 33 1 38 7 -1 39 8 -2 46 9 -2 46 10 -1 11 30 2 12 31 2 13 32 2 14 33 2 15 35 2 16 36 2 17 18 2 17 19 1 18 23 1 19 37 2 20 23 2 20 37 1 21 40 1 21 41 1 22 38 1 22 48 1 24 30 1 40 24 -1 25 31 1 42 25 -2 26 32 1 44 26 -1 27 35 1 41 27 -2 28 33 1 48 28 -1 43 29 -1 45 29 -2 34 40 1 34 42 1 35 37 1 36 39 1 36 48 1 38 44 1 39 43 1 41 46 1 42 47 1 43 45 1 44 47 1 45 46 1 47 48 1', 'C34H43NO12', 657.371, 'P', 'np04_1548_2', 1750, '', '', '1', 36, NULL, NULL),
(8382, 'Kansuinin H', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:11]14O[C@:14](O)([C@H:13]([CH3:20])[C:12]1=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]2([H])[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001](=O)[c:8002]3[cH:8007][cH:8006][cH:8005][cH:8004][cH:8003]3)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:10]4([CH3:19])[CH3:18]', '[H][C@]14O[C@](O)([C@H](C)C1=O)[C@@]2(OC(C)=O)C[C@@](C)(O)[C@H](OC(C)=O)[C@]2([H])[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@]4(C)C', '[H][C@:77]14O[C@:107](O)([C@H:52]([CH3:10])[C:216]1=O)[C@@:91]2(O[C:170]([CH3:21])=O)[CH2:46][C@@:79]([CH3:21])(O)[C@H:78](O[C:170]([CH3:20])=O)[C@:50]2([H])[C@@H:71](O[C:169]([CH3:21])=O)[C:148](=[CH2:108])[C@H:70](O[C:170]([CH3:21])=O)[C@@H:73](O[C:166](=O)[c:131]3[cH:130][cH:129][cH:133][cH:129][cH:130]3)[C@@H:83](O[C:170]([CH3:22])=O)[C@:42]4([CH3:23])[CH3:19]', '55 58 H 16.20 -9.85 H 12.40 -12.15 C:17 14.89 -12.52 C:7002 16.36 -15.70 C:5002 12.44 -15.38 C:9002 21.78 -9.74 C:3002 8.81 -14.59 C:15002 11.11 -6.22 C:20 13.04 -6.50 C:19 18.75 -8.60 C:18 17.62 -7.69 C:16 8.94 -9.69 O 18.03 -13.92 O 11.56 -13.28 O 20.03 -8.06 O 8.39 -12.23 O 9.94 -8.38 O 20.20 -11.36 O 16.03 -6.13 O 8.94 -11.12 O 13.84 -10.38 C:8005 22.21 -15.93 C:8006 22.74 -14.65 C:8004 20.84 -16.12 C:8007 21.88 -13.54 C:8003 19.98 -15.01 C:1 11.04 -9.27 O 15.69 -13.37 O 13.64 -13.28 O 19.46 -10.42 O 10.59 -12.96 O 18.27 -12.83 O 12.40 -8.25 O 14.89 -9.69 C:7001 16.69 -14.33 C:5001 12.44 -13.98 C:9001 20.42 -9.41 C:3001 9.24 -13.25 C:15001 11.11 -7.61 C:6 14.89 -11.12 C:8001 19.66 -12.64 C:12 15.38 -7.41 C:8002 20.51 -13.73 C:13 13.95 -7.55 C:7 16.01 -12.02 C:5 13.64 -11.84 C:8 17.41 -11.71 C:9 18.05 -10.42 C:3 11.04 -11.58 C:10 17.41 -9.13 C:2 10.20 -10.42 C:11 16.01 -8.81 C:4 12.40 -11.12 C:14 13.64 -8.99 C:15 12.40 -9.69 52 1 -2 53 2 -2 3 40 2 4 35 1 5 36 1 6 37 1 7 38 1 8 39 1 44 9 -2 50 10 -2 50 11 -1 51 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 18 41 2 19 42 2 51 20 -2 54 21 -2 22 23 2 22 24 1 23 25 1 24 26 2 25 43 2 26 43 1 27 51 1 27 55 1 28 35 1 45 28 -1 29 36 1 46 29 -2 30 37 1 48 30 -2 31 38 1 49 31 -1 32 41 1 47 32 -2 33 39 1 55 33 -1 34 52 1 34 54 1 40 45 1 40 46 1 41 43 1 42 44 1 42 52 1 44 54 1 45 47 1 46 53 1 47 48 1 48 50 1 49 51 1 49 53 1 50 52 1 53 55 1 54 55 1', '55 58 H 16.20 -9.85 H 12.40 -12.15 C 14.89 -12.52 C 16.36 -15.70 C 12.44 -15.38 C 21.78 -9.74 C 8.81 -14.59 C 11.11 -6.22 C 13.04 -6.50 C 18.75 -8.60 C 17.62 -7.69 C 8.94 -9.69 O 18.03 -13.92 O 11.56 -13.28 O 20.03 -8.06 O 8.39 -12.23 O 9.94 -8.38 O 20.20 -11.36 O 16.03 -6.13 O 8.94 -11.12 O 13.84 -10.38 C 22.21 -15.93 C 22.74 -14.65 C 20.84 -16.12 C 21.88 -13.54 C 19.98 -15.01 C 11.04 -9.27 O 15.69 -13.37 O 13.64 -13.28 O 19.46 -10.42 O 10.59 -12.96 O 18.27 -12.83 O 12.40 -8.25 O 14.89 -9.69 C 16.69 -14.33 C 12.44 -13.98 C 20.42 -9.41 C 9.24 -13.25 C 11.11 -7.61 C 14.89 -11.12 C 19.66 -12.64 C 15.38 -7.41 C 20.51 -13.73 C 13.95 -7.55 C 16.01 -12.02 C 13.64 -11.84 C 17.41 -11.71 C 18.05 -10.42 C 11.04 -11.58 C 17.41 -9.13 C 10.20 -10.42 C 16.01 -8.81 C 12.40 -11.12 C 13.64 -8.99 C 12.40 -9.69 52 1 -2 53 2 -2 3 40 2 4 35 1 5 36 1 6 37 1 7 38 1 8 39 1 44 9 -2 50 10 -2 50 11 -1 51 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 18 41 2 19 42 2 51 20 -2 54 21 -2 22 23 2 22 24 1 23 25 1 24 26 2 25 43 2 26 43 1 27 51 1 27 55 1 28 35 1 45 28 -1 29 36 1 46 29 -2 30 37 1 48 30 -2 31 38 1 49 31 -1 32 41 1 47 32 -2 33 39 1 55 33 -1 34 52 1 34 54 1 40 45 1 40 46 1 41 43 1 42 44 1 42 52 1 44 54 1 45 47 1 46 53 1 47 48 1 48 50 1 49 51 1 49 53 1 50 52 1 53 55 1 54 55 1', '55 58 H 16.20 -9.85 H 12.40 -12.15 C:108 14.89 -12.52 C:21 16.36 -15.70 C:21 12.44 -15.38 C:22 21.78 -9.74 C:20 8.81 -14.59 C:21 11.11 -6.22 C:10 13.04 -6.50 C:23 18.75 -8.60 C:19 17.62 -7.69 C:21 8.94 -9.69 O 18.03 -13.92 O 11.56 -13.28 O 20.03 -8.06 O 8.39 -12.23 O 9.94 -8.38 O 20.20 -11.36 O 16.03 -6.13 O 8.94 -11.12 O 13.84 -10.38 C:133 22.21 -15.93 C:129 22.74 -14.65 C:129 20.84 -16.12 C:130 21.88 -13.54 C:130 19.98 -15.01 C:46 11.04 -9.27 O 15.69 -13.37 O 13.64 -13.28 O 19.46 -10.42 O 10.59 -12.96 O 18.27 -12.83 O 12.40 -8.25 O 14.89 -9.69 C:170 16.69 -14.33 C:169 12.44 -13.98 C:170 20.42 -9.41 C:170 9.24 -13.25 C:170 11.11 -7.61 C:148 14.89 -11.12 C:166 19.66 -12.64 C:216 15.38 -7.41 C:131 20.51 -13.73 C:52 13.95 -7.55 C:70 16.01 -12.02 C:71 13.64 -11.84 C:73 17.41 -11.71 C:83 18.05 -10.42 C:78 11.04 -11.58 C:42 17.41 -9.13 C:79 10.20 -10.42 C:77 16.01 -8.81 C:50 12.40 -11.12 C:107 13.64 -8.99 C:91 12.40 -9.69 52 1 -2 53 2 -2 3 40 2 4 35 1 5 36 1 6 37 1 7 38 1 8 39 1 44 9 -2 50 10 -2 50 11 -1 51 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 18 41 2 19 42 2 51 20 -2 54 21 -2 22 23 2 22 24 1 23 25 1 24 26 2 25 43 2 26 43 1 27 51 1 27 55 1 28 35 1 45 28 -1 29 36 1 46 29 -2 30 37 1 48 30 -2 31 38 1 49 31 -1 32 41 1 47 32 -2 33 39 1 55 33 -1 34 52 1 34 54 1 40 45 1 40 46 1 41 43 1 42 44 1 42 52 1 44 54 1 45 47 1 46 53 1 47 48 1 48 50 1 49 51 1 49 53 1 50 52 1 53 55 1 54 55 1', 'C37H46O16', 746.402, 'P', 'np04_1548_3', 1750, '', '', '1', 36, NULL, NULL),
(8383, '', '(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,8,-14-Tetraacetoxy-3-benzoyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@](C)(C)C=C[C@@H](C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:47]12[C@@H:71](O[C:170]([CH3:20])=O)[C:144](=[CH2:111])[C@H:68](O[C:170]([CH3:21])=O)[C@@H:75](O[C:170]([CH3:21])=O)[C:206](=O)[C@:48]([CH3:29])([CH3:28])[CH:136]=[CH:133][C@@H:36]([CH3:25])[C@@H:81](O[C:171]([CH3:21])=O)[C@@:81]1(O)[CH2:50][C@H:37]([CH3:14])[C@@H:79]2O[C:165](=O)[c:130]3[cH:129][cH:129][cH:133][cH:129][cH:129]3', '48 50 H 14.11 -11.84 C:17 17.45 -10.62 C:7002 17.24 -16.67 C:8002 21.74 -15.76 C:5002 13.81 -15.46 C:14002 13.63 -5.27 C:20 17.45 -7.18 C:16 10.84 -10.20 C:18 21.61 -10.99 C:19 21.22 -9.36 O 19.39 -15.49 O 22.11 -13.40 O 12.62 -13.79 O 12.42 -7.44 O 10.47 -11.90 O 21.49 -12.70 O 13.97 -8.16 C:12 17.91 -9.49 C:11 19.33 -9.49 C:3005 10.00 -17.04 C:3004 11.37 -16.75 C:3006 9.06 -16.00 C:3003 11.79 -15.42 C:3007 9.49 -14.68 C:1 13.12 -9.04 O 17.36 -14.27 O 19.87 -14.27 O 14.93 -13.25 O 14.89 -7.19 O 12.68 -12.73 C:7001 18.00 -15.49 C:8001 21.25 -14.49 C:5001 13.81 -14.09 C:14001 13.59 -6.67 C:6 16.89 -11.92 C:3001 11.30 -13.03 C:9 20.34 -11.92 C:3002 10.86 -14.39 C:13 16.89 -8.47 C:2 12.28 -10.20 C:7 17.91 -12.94 C:8 19.33 -12.94 C:5 15.46 -11.92 C:14 15.46 -8.47 C:3 13.12 -11.35 C:10 20.34 -10.50 C:4 14.48 -10.91 C:15 14.48 -9.49 47 1 -2 2 35 2 3 31 1 4 32 1 5 33 1 6 34 1 39 7 -2 40 8 -1 46 9 -2 46 10 -1 11 31 2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 48 17 -1 18 19 2 18 39 1 19 46 1 20 21 2 20 22 1 21 23 1 22 24 2 23 38 2 24 38 1 25 40 1 25 48 1 26 31 1 41 26 -1 27 32 1 42 27 -2 28 33 1 43 28 -2 29 34 1 44 29 -2 30 36 1 45 30 -1 35 41 1 35 43 1 36 38 1 37 42 1 37 46 1 39 44 1 40 45 1 41 42 1 43 47 1 44 48 1 45 47 1 47 48 1', '48 50 H 14.11 -11.84 C 17.45 -10.62 C 17.24 -16.67 C 21.74 -15.76 C 13.81 -15.46 C 13.63 -5.27 C 17.45 -7.18 C 10.84 -10.20 C 21.61 -10.99 C 21.22 -9.36 O 19.39 -15.49 O 22.11 -13.40 O 12.62 -13.79 O 12.42 -7.44 O 10.47 -11.90 O 21.49 -12.70 O 13.97 -8.16 C 17.91 -9.49 C 19.33 -9.49 C 10.00 -17.04 C 11.37 -16.75 C 9.06 -16.00 C 11.79 -15.42 C 9.49 -14.68 C 13.12 -9.04 O 17.36 -14.27 O 19.87 -14.27 O 14.93 -13.25 O 14.89 -7.19 O 12.68 -12.73 C 18.00 -15.49 C 21.25 -14.49 C 13.81 -14.09 C 13.59 -6.67 C 16.89 -11.92 C 11.30 -13.03 C 20.34 -11.92 C 10.86 -14.39 C 16.89 -8.47 C 12.28 -10.20 C 17.91 -12.94 C 19.33 -12.94 C 15.46 -11.92 C 15.46 -8.47 C 13.12 -11.35 C 20.34 -10.50 C 14.48 -10.91 C 14.48 -9.49 47 1 -2 2 35 2 3 31 1 4 32 1 5 33 1 6 34 1 39 7 -2 40 8 -1 46 9 -2 46 10 -1 11 31 2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 48 17 -1 18 19 2 18 39 1 19 46 1 20 21 2 20 22 1 21 23 1 22 24 2 23 38 2 24 38 1 25 40 1 25 48 1 26 31 1 41 26 -1 27 32 1 42 27 -2 28 33 1 43 28 -2 29 34 1 44 29 -2 30 36 1 45 30 -1 35 41 1 35 43 1 36 38 1 37 42 1 37 46 1 39 44 1 40 45 1 41 42 1 43 47 1 44 48 1 45 47 1 47 48 1', '48 50 H 14.11 -11.84 C:111 17.45 -10.62 C:21 17.24 -16.67 C:21 21.74 -15.76 C:20 13.81 -15.46 C:21 13.63 -5.27 C:25 17.45 -7.18 C:14 10.84 -10.20 C:29 21.61 -10.99 C:28 21.22 -9.36 O 19.39 -15.49 O 22.11 -13.40 O 12.62 -13.79 O 12.42 -7.44 O 10.47 -11.90 O 21.49 -12.70 O 13.97 -8.16 C:133 17.91 -9.49 C:136 19.33 -9.49 C:133 10.00 -17.04 C:129 11.37 -16.75 C:129 9.06 -16.00 C:129 11.79 -15.42 C:129 9.49 -14.68 C:50 13.12 -9.04 O 17.36 -14.27 O 19.87 -14.27 O 14.93 -13.25 O 14.89 -7.19 O 12.68 -12.73 C:170 18.00 -15.49 C:170 21.25 -14.49 C:170 13.81 -14.09 C:171 13.59 -6.67 C:144 16.89 -11.92 C:165 11.30 -13.03 C:206 20.34 -11.92 C:130 10.86 -14.39 C:36 16.89 -8.47 C:37 12.28 -10.20 C:68 17.91 -12.94 C:75 19.33 -12.94 C:71 15.46 -11.92 C:81 15.46 -8.47 C:79 13.12 -11.35 C:48 20.34 -10.50 C:47 14.48 -10.91 C:81 14.48 -9.49 47 1 -2 2 35 2 3 31 1 4 32 1 5 33 1 6 34 1 39 7 -2 40 8 -1 46 9 -2 46 10 -1 11 31 2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 48 17 -1 18 19 2 18 39 1 19 46 1 20 21 2 20 22 1 21 23 1 22 24 2 23 38 2 24 38 1 25 40 1 25 48 1 26 31 1 41 26 -1 27 32 1 42 27 -2 28 33 1 43 28 -2 29 34 1 44 29 -2 30 36 1 45 30 -1 35 41 1 35 43 1 36 38 1 37 42 1 37 46 1 39 44 1 40 45 1 41 42 1 43 47 1 44 48 1 45 47 1 47 48 1', 'C35H44O12', 656.375, 'C', 'np98_749_4', 124, '', '', '1', 36, NULL, NULL),
(8384, '', '(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-Triacetoxy-3-benzoyloxy-8-isobutyroyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001](=O)[CH:8002]([CH3:8003])[CH3:8201])[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C(=O)[C@@](C)(C)C=C[C@@H](C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:47]12[C@@H:71](O[C:170]([CH3:20])=O)[C:143](=[CH2:111])[C@H:67](O[C:170]([CH3:21])=O)[C@@H:75](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C:206](=O)[C@@:48]([CH3:28])([CH3:23])[CH:136]=[CH:132][C@@H:36]([CH3:25])[C@@H:81](O[C:171]([CH3:21])=O)[C@@:82]1(O)[CH2:50][C@H:37]([CH3:14])[C@@H:79]2O[C:165](=O)[c:130]3[cH:130][cH:129][cH:133][cH:129][cH:130]3', '50 52 H 13.49 -11.83 C:17 16.82 -10.61 C:7002 16.61 -16.66 C:5002 13.19 -15.45 C:14002 13.01 -5.27 C:8003 22.74 -15.48 C:8201 20.64 -16.69 C:20 16.82 -7.18 C:16 10.22 -10.19 C:19 20.59 -9.35 C:18 20.98 -10.98 O 18.76 -15.48 O 12.00 -13.78 O 11.80 -7.44 O 9.85 -11.89 O 21.33 -13.04 O 20.86 -12.69 O 13.35 -8.16 C:12 17.28 -9.48 C:11 18.70 -9.48 C:3005 9.38 -17.03 C:3006 8.44 -15.99 C:3004 10.75 -16.74 C:3007 8.87 -14.67 C:3003 11.17 -15.41 C:1 12.50 -9.03 O 16.73 -14.26 O 14.31 -13.24 O 14.27 -7.19 O 19.24 -14.26 O 12.06 -12.72 C:7001 17.37 -15.48 C:5001 13.19 -14.08 C:14001 12.97 -6.67 C:6 16.26 -11.91 C:3001 10.68 -13.02 C:8001 20.64 -14.26 C:9 19.71 -11.91 C:3002 10.24 -14.38 C:8002 21.34 -15.48 C:13 16.26 -8.47 C:2 11.66 -10.19 C:7 17.28 -12.93 C:8 18.70 -12.93 C:5 14.84 -11.91 C:14 14.84 -8.47 C:3 12.50 -11.34 C:10 19.71 -10.49 C:4 13.86 -10.90 C:15 13.86 -9.48 49 1 -2 2 35 2 3 32 1 4 33 1 5 34 1 6 40 1 7 40 1 41 8 -2 42 9 -1 48 10 -1 48 11 -2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 50 18 -1 19 20 2 19 41 1 20 48 1 21 22 1 21 23 2 22 24 2 23 25 1 24 39 1 25 39 2 26 42 1 26 50 1 27 32 1 43 27 -1 28 33 1 45 28 -2 29 34 1 46 29 -2 30 37 1 44 30 -2 31 36 1 47 31 -1 35 43 1 35 45 1 36 39 1 37 40 1 38 44 1 38 48 1 41 46 1 42 47 1 43 44 1 45 49 1 46 50 1 47 49 1 49 50 1', '50 52 H 13.49 -11.83 C 16.82 -10.61 C 16.61 -16.66 C 13.19 -15.45 C 13.01 -5.27 C 22.74 -15.48 C 20.64 -16.69 C 16.82 -7.18 C 10.22 -10.19 C 20.59 -9.35 C 20.98 -10.98 O 18.76 -15.48 O 12.00 -13.78 O 11.80 -7.44 O 9.85 -11.89 O 21.33 -13.04 O 20.86 -12.69 O 13.35 -8.16 C 17.28 -9.48 C 18.70 -9.48 C 9.38 -17.03 C 8.44 -15.99 C 10.75 -16.74 C 8.87 -14.67 C 11.17 -15.41 C 12.50 -9.03 O 16.73 -14.26 O 14.31 -13.24 O 14.27 -7.19 O 19.24 -14.26 O 12.06 -12.72 C 17.37 -15.48 C 13.19 -14.08 C 12.97 -6.67 C 16.26 -11.91 C 10.68 -13.02 C 20.64 -14.26 C 19.71 -11.91 C 10.24 -14.38 C 21.34 -15.48 C 16.26 -8.47 C 11.66 -10.19 C 17.28 -12.93 C 18.70 -12.93 C 14.84 -11.91 C 14.84 -8.47 C 12.50 -11.34 C 19.71 -10.49 C 13.86 -10.90 C 13.86 -9.48 49 1 -2 2 35 2 3 32 1 4 33 1 5 34 1 6 40 1 7 40 1 41 8 -2 42 9 -1 48 10 -1 48 11 -2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 50 18 -1 19 20 2 19 41 1 20 48 1 21 22 1 21 23 2 22 24 2 23 25 1 24 39 1 25 39 2 26 42 1 26 50 1 27 32 1 43 27 -1 28 33 1 45 28 -2 29 34 1 46 29 -2 30 37 1 44 30 -2 31 36 1 47 31 -1 35 43 1 35 45 1 36 39 1 37 40 1 38 44 1 38 48 1 41 46 1 42 47 1 43 44 1 45 49 1 46 50 1 47 49 1 49 50 1', '50 52 H 13.49 -11.83 C:111 16.82 -10.61 C:21 16.61 -16.66 C:20 13.19 -15.45 C:21 13.01 -5.27 C:19 22.74 -15.48 C:19 20.64 -16.69 C:25 16.82 -7.18 C:14 10.22 -10.19 C:28 20.59 -9.35 C:23 20.98 -10.98 O 18.76 -15.48 O 12.00 -13.78 O 11.80 -7.44 O 9.85 -11.89 O 21.33 -13.04 O 20.86 -12.69 O 13.35 -8.16 C:132 17.28 -9.48 C:136 18.70 -9.48 C:133 9.38 -17.03 C:129 8.44 -15.99 C:129 10.75 -16.74 C:130 8.87 -14.67 C:130 11.17 -15.41 C:50 12.50 -9.03 O 16.73 -14.26 O 14.31 -13.24 O 14.27 -7.19 O 19.24 -14.26 O 12.06 -12.72 C:170 17.37 -15.48 C:170 13.19 -14.08 C:171 12.97 -6.67 C:143 16.26 -11.91 C:165 10.68 -13.02 C:176 20.64 -14.26 C:206 19.71 -11.91 C:130 10.24 -14.38 C:34 21.34 -15.48 C:36 16.26 -8.47 C:37 11.66 -10.19 C:67 17.28 -12.93 C:75 18.70 -12.93 C:71 14.84 -11.91 C:81 14.84 -8.47 C:79 12.50 -11.34 C:48 19.71 -10.49 C:47 13.86 -10.90 C:82 13.86 -9.48 49 1 -2 2 35 2 3 32 1 4 33 1 5 34 1 6 40 1 7 40 1 41 8 -2 42 9 -1 48 10 -1 48 11 -2 12 32 2 13 33 2 14 34 2 15 36 2 16 37 2 17 38 2 50 18 -1 19 20 2 19 41 1 20 48 1 21 22 1 21 23 2 22 24 2 23 25 1 24 39 1 25 39 2 26 42 1 26 50 1 27 32 1 43 27 -1 28 33 1 45 28 -2 29 34 1 46 29 -2 30 37 1 44 30 -2 31 36 1 47 31 -1 35 43 1 35 45 1 36 39 1 37 40 1 38 44 1 38 48 1 41 46 1 42 47 1 43 44 1 45 49 1 46 50 1 47 49 1 49 50 1', 'C37H48O12', 684.397, 'C', 'np98_749_5', 124, '', '', '1', 36, NULL, NULL),
(8385, '', '(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,8-Triacetoxy-3-benzoyloxy-14,15-dihydroxy-9-oxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C@@H:14](O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@@](C)(C)C=C[C@@H](C)[C@@H](O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:45]12[C@@H:71](O[C:170]([CH3:20])=O)[C:144](=[CH2:111])[C@H:68](O[C:170]([CH3:21])=O)[C@@H:75](O[C:9999]([CH3:9999])=O)[C:207](=O)[C@@:48]([CH3:28])([CH3:23])[CH:135]=[CH:133][C@@H:37]([CH3:25])[C@@H:81](O)[C@@:83]1(O)[CH2:52][C@H:37]([CH3:14])[C@@H:80]2O[C:165](=O)[c:130]3[cH:130][cH:129][cH:133][cH:129][cH:130]3', '45 47 H 14.11 -10.88 C:17 17.45 -9.66 C:7002 17.24 -15.72 C:8002 21.74 -14.81 C:5002 13.81 -14.51 C:20 17.45 -6.22 C:16 10.84 -9.24 C:19 21.22 -8.40 C:18 21.61 -10.03 O 19.39 -14.54 O 22.11 -12.44 O 12.62 -12.83 O 10.47 -10.94 O 21.49 -11.74 O 14.89 -6.23 O 13.97 -7.20 C:12 17.91 -8.53 C:11 19.33 -8.53 C:3005 10.00 -16.09 C:3006 9.06 -15.05 C:3004 11.37 -15.80 C:3007 9.49 -13.72 C:3003 11.79 -14.47 C:1 13.12 -8.08 O 17.36 -13.31 O 19.87 -13.31 O 14.93 -12.29 O 12.68 -11.77 C:7001 18.00 -14.54 C:8001 21.25 -13.53 C:5001 13.81 -13.13 C:6 16.89 -10.96 C:3001 11.30 -12.07 C:9 20.34 -10.96 C:3002 10.86 -13.43 C:13 16.89 -7.51 C:2 12.28 -9.24 C:14 15.46 -7.51 C:7 17.91 -11.98 C:8 19.33 -11.98 C:5 15.46 -10.96 C:3 13.12 -10.39 C:10 20.34 -9.54 C:4 14.48 -9.95 C:15 14.48 -8.53 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 38 15 -2 45 16 -1 17 18 2 17 36 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 35 1 23 35 2 24 37 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 41 27 -2 28 33 1 42 28 -1 32 39 1 32 41 1 33 35 1 34 40 1 34 43 1 36 38 1 37 42 1 38 45 1 39 40 1 41 44 1 42 44 1 44 45 1', '45 47 H 14.11 -10.88 C 17.45 -9.66 C 17.24 -15.72 C 21.74 -14.81 C 13.81 -14.51 C 17.45 -6.22 C 10.84 -9.24 C 21.22 -8.40 C 21.61 -10.03 O 19.39 -14.54 O 22.11 -12.44 O 12.62 -12.83 O 10.47 -10.94 O 21.49 -11.74 O 14.89 -6.23 O 13.97 -7.20 C 17.91 -8.53 C 19.33 -8.53 C 10.00 -16.09 C 9.06 -15.05 C 11.37 -15.80 C 9.49 -13.72 C 11.79 -14.47 C 13.12 -8.08 O 17.36 -13.31 O 19.87 -13.31 O 14.93 -12.29 O 12.68 -11.77 C 18.00 -14.54 C 21.25 -13.53 C 13.81 -13.13 C 16.89 -10.96 C 11.30 -12.07 C 20.34 -10.96 C 10.86 -13.43 C 16.89 -7.51 C 12.28 -9.24 C 15.46 -7.51 C 17.91 -11.98 C 19.33 -11.98 C 15.46 -10.96 C 13.12 -10.39 C 20.34 -9.54 C 14.48 -9.95 C 14.48 -8.53 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 38 15 -2 45 16 -1 17 18 2 17 36 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 35 1 23 35 2 24 37 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 41 27 -2 28 33 1 42 28 -1 32 39 1 32 41 1 33 35 1 34 40 1 34 43 1 36 38 1 37 42 1 38 45 1 39 40 1 41 44 1 42 44 1 44 45 1', '45 47 H 14.11 -10.88 C:111 17.45 -9.66 C:21 17.24 -15.72 C 21.74 -14.81 C:20 13.81 -14.51 C:25 17.45 -6.22 C:14 10.84 -9.24 C:28 21.22 -8.40 C:23 21.61 -10.03 O 19.39 -14.54 O 22.11 -12.44 O 12.62 -12.83 O 10.47 -10.94 O 21.49 -11.74 O 14.89 -6.23 O 13.97 -7.20 C:133 17.91 -8.53 C:135 19.33 -8.53 C:133 10.00 -16.09 C:129 9.06 -15.05 C:129 11.37 -15.80 C:130 9.49 -13.72 C:130 11.79 -14.47 C:52 13.12 -8.08 O 17.36 -13.31 O 19.87 -13.31 O 14.93 -12.29 O 12.68 -11.77 C:170 18.00 -14.54 C 21.25 -13.53 C:170 13.81 -13.13 C:144 16.89 -10.96 C:165 11.30 -12.07 C:207 20.34 -10.96 C:130 10.86 -13.43 C:37 16.89 -7.51 C:37 12.28 -9.24 C:81 15.46 -7.51 C:68 17.91 -11.98 C:75 19.33 -11.98 C:71 15.46 -10.96 C:80 13.12 -10.39 C:48 20.34 -9.54 C:45 14.48 -9.95 C:83 14.48 -8.53 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 38 15 -2 45 16 -1 17 18 2 17 36 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 35 1 23 35 2 24 37 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 41 27 -2 28 33 1 42 28 -1 32 39 1 32 41 1 33 35 1 34 40 1 34 43 1 36 38 1 37 42 1 38 45 1 39 40 1 41 44 1 42 44 1 44 45 1', 'C33H42O11', 614.354, 'C', 'np98_749_7', 124, '', '', '1', 36, NULL, NULL),
(8386, '', '(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-Triacetoxy-3-benzoyloxy-8,15-dihydroxy-9-oxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O)[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](O)C(=O)[C@@](C)(C)C=C[C@@H](C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:47]12[C@@H:71](O[C:170]([CH3:21])=O)[C:144](=[CH2:111])[C@H:69](O[C:170]([CH3:21])=O)[C@@H:74](O)[C:212](=O)[C@@:48]([CH3:27])([CH3:23])[CH:135]=[CH:133][C@@H:36]([CH3:25])[C@@H:81](O[C:171]([CH3:21])=O)[C@@:82]1(O)[CH2:50][C@H:37]([CH3:14])[C@@H:79]2O[C:165](=O)[c:130]3[cH:130][cH:129][cH:133][cH:129][cH:130]3', '45 47 H 14.32 -11.83 C:17 17.66 -10.61 C:7002 17.45 -16.66 C:5002 14.02 -15.45 C:14002 13.80 -5.27 C:20 17.66 -7.18 C:16 11.05 -10.19 C:19 21.42 -9.36 C:18 21.81 -10.98 O 19.60 -15.48 O 12.83 -13.78 O 12.63 -7.44 O 10.68 -11.89 O 21.69 -12.69 O 20.08 -14.26 O 14.18 -8.16 C:12 18.12 -9.48 C:11 19.54 -9.48 C:3005 10.21 -17.03 C:3006 9.27 -15.99 C:3004 11.58 -16.74 C:3007 9.70 -14.67 C:3003 12.00 -15.41 C:1 13.33 -9.04 O 17.57 -14.26 O 15.14 -13.24 O 15.10 -7.19 O 12.89 -12.72 C:7001 18.21 -15.48 C:5001 14.02 -14.08 C:14001 13.80 -6.67 C:6 17.10 -11.91 C:3001 11.51 -13.02 C:9 20.54 -11.91 C:3002 11.07 -14.38 C:13 17.10 -8.47 C:2 12.49 -10.19 C:8 19.54 -12.93 C:7 18.12 -12.93 C:5 15.67 -11.91 C:3 13.33 -11.34 C:14 15.67 -8.47 C:10 20.54 -10.49 C:4 14.69 -10.90 C:15 14.69 -9.48 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 38 15 -2 45 16 -1 17 18 2 17 36 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 35 1 23 35 2 24 37 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 42 27 -2 28 33 1 41 28 -1 32 39 1 32 40 1 33 35 1 34 38 1 34 43 1 36 42 1 37 41 1 38 39 1 40 44 1 41 44 1 42 45 1 44 45 1', '45 47 H 14.32 -11.83 C 17.66 -10.61 C 17.45 -16.66 C 14.02 -15.45 C 13.80 -5.27 C 17.66 -7.18 C 11.05 -10.19 C 21.42 -9.36 C 21.81 -10.98 O 19.60 -15.48 O 12.83 -13.78 O 12.63 -7.44 O 10.68 -11.89 O 21.69 -12.69 O 20.08 -14.26 O 14.18 -8.16 C 18.12 -9.48 C 19.54 -9.48 C 10.21 -17.03 C 9.27 -15.99 C 11.58 -16.74 C 9.70 -14.67 C 12.00 -15.41 C 13.33 -9.04 O 17.57 -14.26 O 15.14 -13.24 O 15.10 -7.19 O 12.89 -12.72 C 18.21 -15.48 C 14.02 -14.08 C 13.80 -6.67 C 17.10 -11.91 C 11.51 -13.02 C 20.54 -11.91 C 11.07 -14.38 C 17.10 -8.47 C 12.49 -10.19 C 19.54 -12.93 C 18.12 -12.93 C 15.67 -11.91 C 13.33 -11.34 C 15.67 -8.47 C 20.54 -10.49 C 14.69 -10.90 C 14.69 -9.48 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 38 15 -2 45 16 -1 17 18 2 17 36 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 35 1 23 35 2 24 37 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 42 27 -2 28 33 1 41 28 -1 32 39 1 32 40 1 33 35 1 34 38 1 34 43 1 36 42 1 37 41 1 38 39 1 40 44 1 41 44 1 42 45 1 44 45 1', '45 47 H 14.32 -11.83 C:111 17.66 -10.61 C:21 17.45 -16.66 C:21 14.02 -15.45 C:21 13.80 -5.27 C:25 17.66 -7.18 C:14 11.05 -10.19 C:27 21.42 -9.36 C:23 21.81 -10.98 O 19.60 -15.48 O 12.83 -13.78 O 12.63 -7.44 O 10.68 -11.89 O 21.69 -12.69 O 20.08 -14.26 O 14.18 -8.16 C:133 18.12 -9.48 C:135 19.54 -9.48 C:133 10.21 -17.03 C:129 9.27 -15.99 C:129 11.58 -16.74 C:130 9.70 -14.67 C:130 12.00 -15.41 C:50 13.33 -9.04 O 17.57 -14.26 O 15.14 -13.24 O 15.10 -7.19 O 12.89 -12.72 C:170 18.21 -15.48 C:170 14.02 -14.08 C:171 13.80 -6.67 C:144 17.10 -11.91 C:165 11.51 -13.02 C:212 20.54 -11.91 C:130 11.07 -14.38 C:36 17.10 -8.47 C:37 12.49 -10.19 C:74 19.54 -12.93 C:69 18.12 -12.93 C:71 15.67 -11.91 C:79 13.33 -11.34 C:81 15.67 -8.47 C:48 20.54 -10.49 C:47 14.69 -10.90 C:82 14.69 -9.48 44 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 43 8 -1 43 9 -2 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 38 15 -2 45 16 -1 17 18 2 17 36 1 18 43 1 19 20 1 19 21 2 20 22 2 21 23 1 22 35 1 23 35 2 24 37 1 24 45 1 25 29 1 39 25 -1 26 30 1 40 26 -2 27 31 1 42 27 -2 28 33 1 41 28 -1 32 39 1 32 40 1 33 35 1 34 38 1 34 43 1 36 42 1 37 41 1 38 39 1 40 44 1 41 44 1 42 45 1 44 45 1', 'C33H42O11', 614.354, 'C', 'np98_749_8', 124, '', '', '1', 36, NULL, NULL),
(8387, '', '(2S*,3S*,4R*,5R*,7R*,13R*,14R*,15R*)-5,7,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:8][C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)CC(=O)[C@](C)(C)C=C[C@@H](C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:46]12[C@@H:71](O[C:170]([CH3:21])=O)[C:148](=[CH2:110])[C@H:70](O[C:170]([CH3:21])=O)[CH2:46][C:211](=O)[C@:49]([CH3:23])([CH3:28])[CH:137]=[CH:132][C@@H:36]([CH3:25])[C@@H:81](O[C:171]([CH3:21])=O)[C@@:82]1(O)[CH2:50][C@H:37]([CH3:14])[C@@H:79]2O[C:165](=O)[c:130]3[cH:129][cH:129][cH:133][cH:129][cH:129]3', '44 46 H 14.32 -11.83 C:17 17.66 -10.61 C:7002 17.45 -16.66 C:5002 14.02 -15.45 C:14002 13.80 -5.27 C:20 17.66 -7.18 C:16 11.05 -10.19 C:18 21.81 -10.98 C:19 21.42 -9.36 O 19.60 -15.48 O 12.83 -13.78 O 12.63 -7.44 O 10.68 -11.89 O 21.69 -12.69 O 14.18 -8.16 C:12 18.12 -9.48 C:11 19.54 -9.48 C:3005 10.21 -17.03 C:3004 11.58 -16.74 C:3006 9.27 -15.99 C:3003 12.00 -15.41 C:3007 9.70 -14.67 C:8 19.54 -12.93 C:1 13.33 -9.04 O 17.57 -14.26 O 15.14 -13.24 O 15.10 -7.19 O 12.89 -12.72 C:7001 18.21 -15.48 C:5001 14.02 -14.08 C:14001 13.80 -6.67 C:6 17.10 -11.91 C:3001 11.51 -13.02 C:9 20.54 -11.91 C:3002 11.07 -14.38 C:13 17.10 -8.47 C:2 12.49 -10.19 C:7 18.12 -12.93 C:5 15.67 -11.91 C:14 15.67 -8.47 C:3 13.33 -11.34 C:10 20.54 -10.49 C:4 14.69 -10.90 C:15 14.69 -9.48 43 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 42 8 -2 42 9 -1 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 44 15 -1 16 17 2 16 36 1 17 42 1 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 34 1 23 38 1 24 37 1 24 44 1 25 29 1 38 25 -1 26 30 1 39 26 -2 27 31 1 40 27 -2 28 33 1 41 28 -1 32 38 1 32 39 1 33 35 1 34 42 1 36 40 1 37 41 1 39 43 1 40 44 1 41 43 1 43 44 1', '44 46 H 14.32 -11.83 C 17.66 -10.61 C 17.45 -16.66 C 14.02 -15.45 C 13.80 -5.27 C 17.66 -7.18 C 11.05 -10.19 C 21.81 -10.98 C 21.42 -9.36 O 19.60 -15.48 O 12.83 -13.78 O 12.63 -7.44 O 10.68 -11.89 O 21.69 -12.69 O 14.18 -8.16 C 18.12 -9.48 C 19.54 -9.48 C 10.21 -17.03 C 11.58 -16.74 C 9.27 -15.99 C 12.00 -15.41 C 9.70 -14.67 C 19.54 -12.93 C 13.33 -9.04 O 17.57 -14.26 O 15.14 -13.24 O 15.10 -7.19 O 12.89 -12.72 C 18.21 -15.48 C 14.02 -14.08 C 13.80 -6.67 C 17.10 -11.91 C 11.51 -13.02 C 20.54 -11.91 C 11.07 -14.38 C 17.10 -8.47 C 12.49 -10.19 C 18.12 -12.93 C 15.67 -11.91 C 15.67 -8.47 C 13.33 -11.34 C 20.54 -10.49 C 14.69 -10.90 C 14.69 -9.48 43 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 42 8 -2 42 9 -1 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 44 15 -1 16 17 2 16 36 1 17 42 1 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 34 1 23 38 1 24 37 1 24 44 1 25 29 1 38 25 -1 26 30 1 39 26 -2 27 31 1 40 27 -2 28 33 1 41 28 -1 32 38 1 32 39 1 33 35 1 34 42 1 36 40 1 37 41 1 39 43 1 40 44 1 41 43 1 43 44 1', '44 46 H 14.32 -11.83 C:110 17.66 -10.61 C:21 17.45 -16.66 C:21 14.02 -15.45 C:21 13.80 -5.27 C:25 17.66 -7.18 C:14 11.05 -10.19 C:23 21.81 -10.98 C:28 21.42 -9.36 O 19.60 -15.48 O 12.83 -13.78 O 12.63 -7.44 O 10.68 -11.89 O 21.69 -12.69 O 14.18 -8.16 C:132 18.12 -9.48 C:137 19.54 -9.48 C:133 10.21 -17.03 C:129 11.58 -16.74 C:129 9.27 -15.99 C:129 12.00 -15.41 C:129 9.70 -14.67 C:46 19.54 -12.93 C:50 13.33 -9.04 O 17.57 -14.26 O 15.14 -13.24 O 15.10 -7.19 O 12.89 -12.72 C:170 18.21 -15.48 C:170 14.02 -14.08 C:171 13.80 -6.67 C:148 17.10 -11.91 C:165 11.51 -13.02 C:211 20.54 -11.91 C:130 11.07 -14.38 C:36 17.10 -8.47 C:37 12.49 -10.19 C:70 18.12 -12.93 C:71 15.67 -11.91 C:81 15.67 -8.47 C:79 13.33 -11.34 C:49 20.54 -10.49 C:46 14.69 -10.90 C:82 14.69 -9.48 43 1 -2 2 32 2 3 29 1 4 30 1 5 31 1 36 6 -2 37 7 -1 42 8 -2 42 9 -1 10 29 2 11 30 2 12 31 2 13 33 2 14 34 2 44 15 -1 16 17 2 16 36 1 17 42 1 18 19 2 18 20 1 19 21 1 20 22 2 21 35 2 22 35 1 23 34 1 23 38 1 24 37 1 24 44 1 25 29 1 38 25 -1 26 30 1 39 26 -2 27 31 1 40 27 -2 28 33 1 41 28 -1 32 38 1 32 39 1 33 35 1 34 42 1 36 40 1 37 41 1 39 43 1 40 44 1 41 43 1 43 44 1', 'C33H42O10', 598.355, 'C', 'np98_749_9', 124, '', '', '1', 36, NULL, NULL),
(8388, '', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:49]12[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:169]([CH3:21])=O)[C@@H:74](O[C:169]([CH3:21])=O)[C:206](=O)[C@:48]([CH3:23])([CH3:28])[CH:136]=[CH:133][C@@H:45]([CH3:20])[C:211](=O)[C@@:91]1(O[C:169]([CH3:20])=O)[CH2:46][C@@:86]([CH3:18])(O[C:170]([CH3:22])=O)[C@@H:78]2O[C:170]([CH3:21])=O', '47 48 H 14.11 -11.56 C:17 17.45 -10.34 C:7002 17.24 -16.40 C:8002 21.75 -15.49 C:5002 13.81 -15.19 C:3002 10.86 -14.12 C:2002 9.05 -11.97 C:15002 12.72 -5.85 C:20 17.45 -6.91 C:18 21.61 -10.71 C:19 21.22 -9.08 C:16 11.16 -9.09 O 19.39 -15.22 O 22.12 -13.12 O 12.62 -13.52 O 10.47 -11.62 O 9.05 -9.55 O 11.53 -7.97 O 21.49 -12.42 O 14.89 -6.92 C:12 17.91 -9.21 C:11 19.33 -9.21 C:1 13.12 -8.76 O 17.36 -14.00 O 19.87 -14.00 O 14.93 -12.97 O 12.68 -12.45 O 11.16 -10.76 O 13.97 -7.88 C:7001 18.00 -15.22 C:8001 21.25 -14.22 C:5001 13.81 -13.82 C:3001 11.30 -12.75 C:2001 9.76 -10.76 C:15001 12.72 -7.25 C:6 16.89 -11.64 C:9 20.34 -11.64 C:14 15.46 -8.19 C:13 16.89 -8.19 C:7 17.91 -12.66 C:8 19.33 -12.66 C:5 15.46 -11.64 C:3 13.12 -11.07 C:10 20.34 -10.22 C:2 12.28 -9.92 C:4 14.48 -10.63 C:15 14.48 -9.21 46 1 -2 2 36 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 39 9 -2 44 10 -2 44 11 -1 45 12 -1 13 30 2 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 22 2 21 39 1 22 44 1 23 45 1 23 47 1 24 30 1 40 24 -1 25 31 1 41 25 -2 26 32 1 42 26 -2 27 33 1 43 27 -1 28 34 1 45 28 -2 29 35 1 47 29 -1 36 40 1 36 42 1 37 41 1 37 44 1 38 39 1 38 47 1 40 41 1 42 46 1 43 45 1 43 46 1 46 47 1', '47 48 H 14.11 -11.56 C 17.45 -10.34 C 17.24 -16.40 C 21.75 -15.49 C 13.81 -15.19 C 10.86 -14.12 C 9.05 -11.97 C 12.72 -5.85 C 17.45 -6.91 C 21.61 -10.71 C 21.22 -9.08 C 11.16 -9.09 O 19.39 -15.22 O 22.12 -13.12 O 12.62 -13.52 O 10.47 -11.62 O 9.05 -9.55 O 11.53 -7.97 O 21.49 -12.42 O 14.89 -6.92 C 17.91 -9.21 C 19.33 -9.21 C 13.12 -8.76 O 17.36 -14.00 O 19.87 -14.00 O 14.93 -12.97 O 12.68 -12.45 O 11.16 -10.76 O 13.97 -7.88 C 18.00 -15.22 C 21.25 -14.22 C 13.81 -13.82 C 11.30 -12.75 C 9.76 -10.76 C 12.72 -7.25 C 16.89 -11.64 C 20.34 -11.64 C 15.46 -8.19 C 16.89 -8.19 C 17.91 -12.66 C 19.33 -12.66 C 15.46 -11.64 C 13.12 -11.07 C 20.34 -10.22 C 12.28 -9.92 C 14.48 -10.63 C 14.48 -9.21 46 1 -2 2 36 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 39 9 -2 44 10 -2 44 11 -1 45 12 -1 13 30 2 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 22 2 21 39 1 22 44 1 23 45 1 23 47 1 24 30 1 40 24 -1 25 31 1 41 25 -2 26 32 1 42 26 -2 27 33 1 43 27 -1 28 34 1 45 28 -2 29 35 1 47 29 -1 36 40 1 36 42 1 37 41 1 37 44 1 38 39 1 38 47 1 40 41 1 42 46 1 43 45 1 43 46 1 46 47 1', '47 48 H 14.11 -11.56 C:113 17.45 -10.34 C:21 17.24 -16.40 C:21 21.75 -15.49 C:21 13.81 -15.19 C:21 10.86 -14.12 C:22 9.05 -11.97 C:20 12.72 -5.85 C:20 17.45 -6.91 C:23 21.61 -10.71 C:28 21.22 -9.08 C:18 11.16 -9.09 O 19.39 -15.22 O 22.12 -13.12 O 12.62 -13.52 O 10.47 -11.62 O 9.05 -9.55 O 11.53 -7.97 O 21.49 -12.42 O 14.89 -6.92 C:133 17.91 -9.21 C:136 19.33 -9.21 C:46 13.12 -8.76 O 17.36 -14.00 O 19.87 -14.00 O 14.93 -12.97 O 12.68 -12.45 O 11.16 -10.76 O 13.97 -7.88 C:169 18.00 -15.22 C:169 21.25 -14.22 C:170 13.81 -13.82 C:170 11.30 -12.75 C:170 9.76 -10.76 C:169 12.72 -7.25 C:143 16.89 -11.64 C:206 20.34 -11.64 C:211 15.46 -8.19 C:45 16.89 -8.19 C:68 17.91 -12.66 C:74 19.33 -12.66 C:68 15.46 -11.64 C:78 13.12 -11.07 C:48 20.34 -10.22 C:86 12.28 -9.92 C:49 14.48 -10.63 C:91 14.48 -9.21 46 1 -2 2 36 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 39 9 -2 44 10 -2 44 11 -1 45 12 -1 13 30 2 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 22 2 21 39 1 22 44 1 23 45 1 23 47 1 24 30 1 40 24 -1 25 31 1 41 25 -2 26 32 1 42 26 -2 27 33 1 43 27 -1 28 34 1 45 28 -2 29 35 1 47 29 -1 36 40 1 36 42 1 37 41 1 37 44 1 38 39 1 38 47 1 40 41 1 42 46 1 43 45 1 43 46 1 46 47 1', 'C32H42O14', 650.342, 'C', 'np98_749_10', 124, '', '', '1', 36, NULL, NULL),
(8389, '', '(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-tigloyloxy-9,14-dioxojatropha-6(17)-11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001](=O)[C:8002]([CH3:8201])=[CH:8003][CH3:8004])[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)=CC)C(=O)[C@@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:49]12[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:169]([CH3:21])=O)[C@@H:74](O[C:166](=O)[C:139]([CH3:15])=[CH:128][CH3:12])[C:206](=O)[C@@:49]([CH3:28])([CH3:23])[CH:136]=[CH:133][C@@H:45]([CH3:20])[C:211](=O)[C@@:92]1(O[C:169]([CH3:21])=O)[CH2:46][C@@:86]([CH3:18])(O[C:170]([CH3:22])=O)[C@@H:78]2O[C:170]([CH3:21])=O', '50 51 H 13.21 -11.45 C:17 16.56 -10.23 C:8004 22.99 -16.56 C:7002 16.35 -16.28 C:5002 12.91 -15.07 C:3002 9.96 -14.01 C:2002 8.15 -11.86 C:15002 11.82 -5.74 C:8201 20.07 -16.51 C:20 16.56 -6.80 C:19 20.34 -8.97 C:18 20.73 -10.60 C:16 10.26 -8.98 O 18.50 -15.10 O 11.72 -13.41 O 9.57 -11.51 O 8.15 -9.44 O 10.63 -7.86 O 21.24 -13.01 O 20.61 -12.31 O 13.99 -6.81 C:8003 22.27 -15.37 C:12 17.02 -9.10 C:11 18.44 -9.10 C:1 12.22 -8.65 O 16.47 -13.89 O 14.03 -12.86 O 11.78 -12.34 O 18.98 -13.89 O 10.26 -10.65 O 13.07 -7.77 C:7001 17.11 -15.10 C:5001 12.91 -13.71 C:3001 10.40 -12.64 C:2001 8.86 -10.65 C:15001 11.82 -7.14 C:8002 20.87 -15.37 C:6 16.00 -11.53 C:8001 20.37 -14.11 C:9 19.46 -11.53 C:14 14.56 -8.08 C:13 16.00 -8.08 C:7 17.02 -12.55 C:8 18.44 -12.55 C:5 14.56 -11.53 C:3 12.22 -10.96 C:10 19.46 -10.11 C:2 11.38 -9.81 C:4 13.58 -10.52 C:15 13.58 -9.10 49 1 -2 2 38 2 3 22 1 4 32 1 5 33 1 6 34 1 7 35 1 8 36 1 9 37 1 42 10 -2 47 11 -1 47 12 -2 48 13 -1 14 32 2 15 33 2 16 34 2 17 35 2 18 36 2 19 39 2 20 40 2 21 41 2 22 37 2 23 24 2 23 42 1 24 47 1 25 48 1 25 50 1 26 32 1 43 26 -1 27 33 1 45 27 -2 28 34 1 46 28 -1 29 39 1 44 29 -2 30 35 1 48 30 -2 31 36 1 50 31 -1 37 39 1 38 43 1 38 45 1 40 44 1 40 47 1 41 42 1 41 50 1 43 44 1 45 49 1 46 48 1 46 49 1 49 50 1', '50 51 H 13.21 -11.45 C 16.56 -10.23 C 22.99 -16.56 C 16.35 -16.28 C 12.91 -15.07 C 9.96 -14.01 C 8.15 -11.86 C 11.82 -5.74 C 20.07 -16.51 C 16.56 -6.80 C 20.34 -8.97 C 20.73 -10.60 C 10.26 -8.98 O 18.50 -15.10 O 11.72 -13.41 O 9.57 -11.51 O 8.15 -9.44 O 10.63 -7.86 O 21.24 -13.01 O 20.61 -12.31 O 13.99 -6.81 C 22.27 -15.37 C 17.02 -9.10 C 18.44 -9.10 C 12.22 -8.65 O 16.47 -13.89 O 14.03 -12.86 O 11.78 -12.34 O 18.98 -13.89 O 10.26 -10.65 O 13.07 -7.77 C 17.11 -15.10 C 12.91 -13.71 C 10.40 -12.64 C 8.86 -10.65 C 11.82 -7.14 C 20.87 -15.37 C 16.00 -11.53 C 20.37 -14.11 C 19.46 -11.53 C 14.56 -8.08 C 16.00 -8.08 C 17.02 -12.55 C 18.44 -12.55 C 14.56 -11.53 C 12.22 -10.96 C 19.46 -10.11 C 11.38 -9.81 C 13.58 -10.52 C 13.58 -9.10 49 1 -2 2 38 2 3 22 1 4 32 1 5 33 1 6 34 1 7 35 1 8 36 1 9 37 1 42 10 -2 47 11 -1 47 12 -2 48 13 -1 14 32 2 15 33 2 16 34 2 17 35 2 18 36 2 19 39 2 20 40 2 21 41 2 22 37 2 23 24 2 23 42 1 24 47 1 25 48 1 25 50 1 26 32 1 43 26 -1 27 33 1 45 27 -2 28 34 1 46 28 -1 29 39 1 44 29 -2 30 35 1 48 30 -2 31 36 1 50 31 -1 37 39 1 38 43 1 38 45 1 40 44 1 40 47 1 41 42 1 41 50 1 43 44 1 45 49 1 46 48 1 46 49 1 49 50 1', '50 51 H 13.21 -11.45 C:113 16.56 -10.23 C:12 22.99 -16.56 C:21 16.35 -16.28 C:21 12.91 -15.07 C:21 9.96 -14.01 C:22 8.15 -11.86 C:21 11.82 -5.74 C:15 20.07 -16.51 C:20 16.56 -6.80 C:28 20.34 -8.97 C:23 20.73 -10.60 C:18 10.26 -8.98 O 18.50 -15.10 O 11.72 -13.41 O 9.57 -11.51 O 8.15 -9.44 O 10.63 -7.86 O 21.24 -13.01 O 20.61 -12.31 O 13.99 -6.81 C:128 22.27 -15.37 C:133 17.02 -9.10 C:136 18.44 -9.10 C:46 12.22 -8.65 O 16.47 -13.89 O 14.03 -12.86 O 11.78 -12.34 O 18.98 -13.89 O 10.26 -10.65 O 13.07 -7.77 C:169 17.11 -15.10 C:170 12.91 -13.71 C:170 10.40 -12.64 C:170 8.86 -10.65 C:169 11.82 -7.14 C:139 20.87 -15.37 C:143 16.00 -11.53 C:166 20.37 -14.11 C:206 19.46 -11.53 C:211 14.56 -8.08 C:45 16.00 -8.08 C:68 17.02 -12.55 C:74 18.44 -12.55 C:68 14.56 -11.53 C:78 12.22 -10.96 C:49 19.46 -10.11 C:86 11.38 -9.81 C:49 13.58 -10.52 C:92 13.58 -9.10 49 1 -2 2 38 2 3 22 1 4 32 1 5 33 1 6 34 1 7 35 1 8 36 1 9 37 1 42 10 -2 47 11 -1 47 12 -2 48 13 -1 14 32 2 15 33 2 16 34 2 17 35 2 18 36 2 19 39 2 20 40 2 21 41 2 22 37 2 23 24 2 23 42 1 24 47 1 25 48 1 25 50 1 26 32 1 43 26 -1 27 33 1 45 27 -2 28 34 1 46 28 -1 29 39 1 44 29 -2 30 35 1 48 30 -2 31 36 1 50 31 -1 37 39 1 38 43 1 38 45 1 40 44 1 40 47 1 41 42 1 41 50 1 43 44 1 45 49 1 46 48 1 46 49 1 49 50 1', 'C35H46O14', 690.374, 'C', 'np98_749_12', 124, '', '', '1', 36, 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
(8390, '', '(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-3,5,7,8,15-Pentaacetoxy-2-nicotinoyloxy-9,14-dioxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]13[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001](=O)[c:2002]2[cH:2006][cH:2005][cH:2004]n[cH:2003]2)[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]13[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(=O)c2cccnc2)[C@@H]3OC(C)=O', '[H][C@@:49]13[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:170]([CH3:21])=O)[C@@H:74](O[C:170]([CH3:21])=O)[C:205](=O)[C@:48]([CH3:23])([CH3:28])[CH:137]=[CH:133][C@@H:45]([CH3:20])[C:210](=O)[C@@:91]1(O[C:169]([CH3:21])=O)[CH2:46][C@@:88]([CH3:18])(O[C:164](=O)[c:126]2[cH:123][cH:138][cH:153]n[cH:151]2)[C@@H:78]3O[C:169]([CH3:20])=O', '52 54 H 15.17 -11.56 C:17 18.52 -10.34 C:7002 18.31 -16.39 C:8002 22.82 -15.48 C:5002 14.87 -15.18 C:3002 11.92 -14.12 C:15002 13.78 -5.85 C:20 18.52 -6.91 C:18 22.68 -10.71 C:19 22.29 -9.08 C:16 12.22 -9.09 O 20.46 -15.21 O 23.19 -13.12 O 13.68 -13.52 O 11.53 -11.62 O 12.59 -7.97 O 10.11 -9.55 O 22.56 -12.42 O 15.95 -6.92 C:12 18.98 -9.21 C:11 20.40 -9.21 C:2005 8.00 -13.17 C:2004 8.69 -14.39 C:2006 8.71 -11.97 C:2003 10.80 -13.19 C:1 14.18 -8.76 N 10.09 -14.40 O 18.43 -14.00 O 20.94 -14.00 O 15.99 -12.97 O 13.74 -12.45 O 15.03 -7.88 O 12.22 -10.76 C:7001 19.07 -15.21 C:8001 22.32 -14.22 C:5001 14.87 -13.82 C:3001 12.36 -12.75 C:15001 13.78 -7.25 C:6 17.96 -11.64 C:2001 10.82 -10.76 C:9 21.41 -11.64 C:14 16.52 -8.19 C:2002 10.11 -11.97 C:13 17.96 -8.19 C:7 18.98 -12.66 C:8 20.40 -12.66 C:5 16.52 -11.64 C:3 14.18 -11.07 C:10 21.41 -10.22 C:2 13.34 -9.92 C:4 15.54 -10.63 C:15 15.54 -9.21 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -2 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 42 2 20 21 2 20 44 1 21 49 1 22 23 1 22 24 2 23 27 2 24 43 1 25 27 1 25 43 2 26 50 1 26 52 1 28 34 1 45 28 -1 29 35 1 46 29 -2 30 36 1 47 30 -2 31 37 1 48 31 -1 32 38 1 52 32 -1 33 40 1 50 33 -2 39 45 1 39 47 1 40 43 1 41 46 1 41 49 1 42 44 1 42 52 1 45 46 1 47 51 1 48 50 1 48 51 1 51 52 1', '52 54 H 15.17 -11.56 C 18.52 -10.34 C 18.31 -16.39 C 22.82 -15.48 C 14.87 -15.18 C 11.92 -14.12 C 13.78 -5.85 C 18.52 -6.91 C 22.68 -10.71 C 22.29 -9.08 C 12.22 -9.09 O 20.46 -15.21 O 23.19 -13.12 O 13.68 -13.52 O 11.53 -11.62 O 12.59 -7.97 O 10.11 -9.55 O 22.56 -12.42 O 15.95 -6.92 C 18.98 -9.21 C 20.40 -9.21 C 8.00 -13.17 C 8.69 -14.39 C 8.71 -11.97 C 10.80 -13.19 C 14.18 -8.76 N 10.09 -14.40 O 18.43 -14.00 O 20.94 -14.00 O 15.99 -12.97 O 13.74 -12.45 O 15.03 -7.88 O 12.22 -10.76 C 19.07 -15.21 C 22.32 -14.22 C 14.87 -13.82 C 12.36 -12.75 C 13.78 -7.25 C 17.96 -11.64 C 10.82 -10.76 C 21.41 -11.64 C 16.52 -8.19 C 10.11 -11.97 C 17.96 -8.19 C 18.98 -12.66 C 20.40 -12.66 C 16.52 -11.64 C 14.18 -11.07 C 21.41 -10.22 C 13.34 -9.92 C 15.54 -10.63 C 15.54 -9.21 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -2 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 42 2 20 21 2 20 44 1 21 49 1 22 23 1 22 24 2 23 27 2 24 43 1 25 27 1 25 43 2 26 50 1 26 52 1 28 34 1 45 28 -1 29 35 1 46 29 -2 30 36 1 47 30 -2 31 37 1 48 31 -1 32 38 1 52 32 -1 33 40 1 50 33 -2 39 45 1 39 47 1 40 43 1 41 46 1 41 49 1 42 44 1 42 52 1 45 46 1 47 51 1 48 50 1 48 51 1 51 52 1', '52 54 H 15.17 -11.56 C:113 18.52 -10.34 C:21 18.31 -16.39 C:21 22.82 -15.48 C:21 14.87 -15.18 C:20 11.92 -14.12 C:21 13.78 -5.85 C:20 18.52 -6.91 C:23 22.68 -10.71 C:28 22.29 -9.08 C:18 12.22 -9.09 O 20.46 -15.21 O 23.19 -13.12 O 13.68 -13.52 O 11.53 -11.62 O 12.59 -7.97 O 10.11 -9.55 O 22.56 -12.42 O 15.95 -6.92 C:133 18.98 -9.21 C:137 20.40 -9.21 C:138 8.00 -13.17 C:153 8.69 -14.39 C:123 8.71 -11.97 C:151 10.80 -13.19 C:46 14.18 -8.76 N 10.09 -14.40 O 18.43 -14.00 O 20.94 -14.00 O 15.99 -12.97 O 13.74 -12.45 O 15.03 -7.88 O 12.22 -10.76 C:170 19.07 -15.21 C:170 22.32 -14.22 C:170 14.87 -13.82 C:169 12.36 -12.75 C:169 13.78 -7.25 C:143 17.96 -11.64 C:164 10.82 -10.76 C:205 21.41 -11.64 C:210 16.52 -8.19 C:126 10.11 -11.97 C:45 17.96 -8.19 C:68 18.98 -12.66 C:74 20.40 -12.66 C:68 16.52 -11.64 C:78 14.18 -11.07 C:48 21.41 -10.22 C:88 13.34 -9.92 C:49 15.54 -10.63 C:91 15.54 -9.21 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -2 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 42 2 20 21 2 20 44 1 21 49 1 22 23 1 22 24 2 23 27 2 24 43 1 25 27 1 25 43 2 26 50 1 26 52 1 28 34 1 45 28 -1 29 35 1 46 29 -2 30 36 1 47 30 -2 31 37 1 48 31 -1 32 38 1 52 32 -1 33 40 1 50 33 -2 39 45 1 39 47 1 40 43 1 41 46 1 41 49 1 42 44 1 42 52 1 45 46 1 47 51 1 48 50 1 48 51 1 51 52 1', 'C36H43NO14', 713.391, 'C', 'np98_749_14', 124, '', '', '1', 36, NULL, NULL),
(8391, '', '(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,8,15-Pentaacetoxy-7-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH3:7003])[C@@H:8](O[C:8001]([CH3:8002])=O)[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)C(=O)[C@@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:49]12[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:67](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C@@H:75](O[C:169]([CH3:21])=O)[C:205](=O)[C@@:48]([CH3:28])([CH3:23])[CH:136]=[CH:134][C@@H:45]([CH3:20])[C:211](=O)[C@@:92]1(O[C:169]([CH3:20])=O)[CH2:46][C@@:86]([CH3:18])(O[C:170]([CH3:22])=O)[C@@H:78]2O[C:170]([CH3:21])=O', '49 50 H 14.11 -11.00 C:17 17.46 -9.78 C:8002 21.76 -14.92 C:5002 13.81 -14.62 C:3002 10.86 -13.56 C:2002 9.05 -11.41 C:15002 12.72 -5.29 C:7201 17.92 -17.05 C:7003 15.85 -15.85 C:20 17.46 -6.35 C:19 21.23 -8.52 C:18 21.62 -10.15 C:16 11.16 -8.53 O 22.13 -12.56 O 12.62 -12.96 O 10.47 -11.06 O 9.05 -8.99 O 11.53 -7.41 O 19.40 -14.65 O 21.50 -11.86 O 14.89 -6.36 C:12 17.92 -8.65 C:11 19.34 -8.65 C:1 13.12 -8.20 O 19.88 -13.44 O 14.93 -12.41 O 17.37 -13.44 O 12.68 -11.89 O 11.16 -10.20 O 13.97 -7.32 C:8001 21.26 -13.66 C:5001 13.81 -13.26 C:3001 11.30 -12.19 C:2001 9.76 -10.20 C:15001 12.72 -6.69 C:6 16.90 -11.08 C:7001 18.01 -14.65 C:9 20.35 -11.08 C:14 15.46 -7.63 C:7002 17.25 -15.83 C:13 16.90 -7.63 C:7 17.92 -12.10 C:8 19.34 -12.10 C:5 15.46 -11.08 C:3 13.12 -10.51 C:10 20.35 -9.66 C:2 12.28 -9.36 C:4 14.48 -10.07 C:15 14.48 -8.65 48 1 -2 2 36 2 3 31 1 4 32 1 5 33 1 6 34 1 7 35 1 8 40 1 9 40 1 41 10 -2 46 11 -1 46 12 -2 47 13 -1 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 39 2 22 23 2 22 41 1 23 46 1 24 47 1 24 49 1 25 31 1 43 25 -2 26 32 1 44 26 -2 27 37 1 42 27 -1 28 33 1 45 28 -1 29 34 1 47 29 -2 30 35 1 49 30 -1 36 42 1 36 44 1 37 40 1 38 43 1 38 46 1 39 41 1 39 49 1 42 43 1 44 48 1 45 47 1 45 48 1 48 49 1', '49 50 H 14.11 -11.00 C 17.46 -9.78 C 21.76 -14.92 C 13.81 -14.62 C 10.86 -13.56 C 9.05 -11.41 C 12.72 -5.29 C 17.92 -17.05 C 15.85 -15.85 C 17.46 -6.35 C 21.23 -8.52 C 21.62 -10.15 C 11.16 -8.53 O 22.13 -12.56 O 12.62 -12.96 O 10.47 -11.06 O 9.05 -8.99 O 11.53 -7.41 O 19.40 -14.65 O 21.50 -11.86 O 14.89 -6.36 C 17.92 -8.65 C 19.34 -8.65 C 13.12 -8.20 O 19.88 -13.44 O 14.93 -12.41 O 17.37 -13.44 O 12.68 -11.89 O 11.16 -10.20 O 13.97 -7.32 C 21.26 -13.66 C 13.81 -13.26 C 11.30 -12.19 C 9.76 -10.20 C 12.72 -6.69 C 16.90 -11.08 C 18.01 -14.65 C 20.35 -11.08 C 15.46 -7.63 C 17.25 -15.83 C 16.90 -7.63 C 17.92 -12.10 C 19.34 -12.10 C 15.46 -11.08 C 13.12 -10.51 C 20.35 -9.66 C 12.28 -9.36 C 14.48 -10.07 C 14.48 -8.65 48 1 -2 2 36 2 3 31 1 4 32 1 5 33 1 6 34 1 7 35 1 8 40 1 9 40 1 41 10 -2 46 11 -1 46 12 -2 47 13 -1 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 39 2 22 23 2 22 41 1 23 46 1 24 47 1 24 49 1 25 31 1 43 25 -2 26 32 1 44 26 -2 27 37 1 42 27 -1 28 33 1 45 28 -1 29 34 1 47 29 -2 30 35 1 49 30 -1 36 42 1 36 44 1 37 40 1 38 43 1 38 46 1 39 41 1 39 49 1 42 43 1 44 48 1 45 47 1 45 48 1 48 49 1', '49 50 H 14.11 -11.00 C:113 17.46 -9.78 C:21 21.76 -14.92 C:21 13.81 -14.62 C:21 10.86 -13.56 C:22 9.05 -11.41 C:20 12.72 -5.29 C:19 17.92 -17.05 C:19 15.85 -15.85 C:20 17.46 -6.35 C:28 21.23 -8.52 C:23 21.62 -10.15 C:18 11.16 -8.53 O 22.13 -12.56 O 12.62 -12.96 O 10.47 -11.06 O 9.05 -8.99 O 11.53 -7.41 O 19.40 -14.65 O 21.50 -11.86 O 14.89 -6.36 C:134 17.92 -8.65 C:136 19.34 -8.65 C:46 13.12 -8.20 O 19.88 -13.44 O 14.93 -12.41 O 17.37 -13.44 O 12.68 -11.89 O 11.16 -10.20 O 13.97 -7.32 C:169 21.26 -13.66 C:170 13.81 -13.26 C:170 11.30 -12.19 C:170 9.76 -10.20 C:169 12.72 -6.69 C:143 16.90 -11.08 C:176 18.01 -14.65 C:205 20.35 -11.08 C:211 15.46 -7.63 C:34 17.25 -15.83 C:45 16.90 -7.63 C:67 17.92 -12.10 C:75 19.34 -12.10 C:68 15.46 -11.08 C:78 13.12 -10.51 C:48 20.35 -9.66 C:86 12.28 -9.36 C:49 14.48 -10.07 C:92 14.48 -8.65 48 1 -2 2 36 2 3 31 1 4 32 1 5 33 1 6 34 1 7 35 1 8 40 1 9 40 1 41 10 -2 46 11 -1 46 12 -2 47 13 -1 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 39 2 22 23 2 22 41 1 23 46 1 24 47 1 24 49 1 25 31 1 43 25 -2 26 32 1 44 26 -2 27 37 1 42 27 -1 28 33 1 45 28 -1 29 34 1 47 29 -2 30 35 1 49 30 -1 36 42 1 36 44 1 37 40 1 38 43 1 38 46 1 39 41 1 39 49 1 42 43 1 44 48 1 45 47 1 45 48 1 48 49 1', 'C34H46O14', 678.363, 'C', 'np98_749_16', 124, '', '', '1', 36, NULL, NULL),
(8392, '', '(2R*,3R*,4S*,5R*,7R*,13R*,15R*)-2,3,5,15-Tetraacetoxy-7-isobutyroyloxy-9,14-dioxojatropha-6(17),-11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH3:7003])[CH2:8][C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)CC(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:50]12[C@@H:68](O[C:169]([CH3:21])=O)[C:147](=[CH2:110])[C@H:69](O[C:175](=O)[CH:35]([CH3:19])[CH3:19])[CH2:46][C:210](=O)[C@:48]([CH3:23])([CH3:27])[CH:137]=[CH:133][C@@H:45]([CH3:20])[C:210](=O)[C@@:92]1(O[C:169]([CH3:21])=O)[CH2:47][C@@:86]([CH3:18])(O[C:170]([CH3:21])=O)[C@@H:78]2O[C:170]([CH3:21])=O', '45 46 H 14.33 -11.00 C:17 17.68 -9.78 C:5002 14.03 -14.62 C:3002 11.08 -13.56 C:2002 9.27 -11.41 C:15002 12.94 -5.29 C:7201 18.14 -17.05 C:7003 16.07 -15.85 C:20 17.68 -6.35 C:18 21.85 -10.15 C:19 21.46 -8.52 C:16 11.38 -8.53 O 12.84 -12.96 O 10.69 -11.06 O 9.27 -8.99 O 11.75 -7.41 O 21.73 -11.86 O 19.62 -14.65 O 15.11 -6.36 C:12 18.14 -8.65 C:11 19.56 -8.65 C:8 19.56 -12.10 C:1 13.34 -8.20 O 15.15 -12.41 O 12.90 -11.89 O 17.59 -13.44 O 11.38 -10.20 O 14.19 -7.32 C:5001 14.03 -13.26 C:3001 11.52 -12.19 C:2001 9.98 -10.20 C:15001 12.94 -6.69 C:6 17.12 -11.08 C:9 20.58 -11.08 C:7001 18.23 -14.65 C:14 15.68 -7.63 C:7002 17.47 -15.83 C:13 17.12 -7.63 C:7 18.14 -12.10 C:5 15.68 -11.08 C:3 13.34 -10.51 C:10 20.58 -9.66 C:2 12.50 -9.36 C:4 14.70 -10.07 C:15 14.70 -8.65 44 1 -2 2 33 2 3 29 1 4 30 1 5 31 1 6 32 1 7 37 1 8 37 1 38 9 -2 42 10 -2 42 11 -1 43 12 -1 13 29 2 14 30 2 15 31 2 16 32 2 17 34 2 18 35 2 19 36 2 20 21 2 20 38 1 21 42 1 22 34 1 22 39 1 23 43 1 23 45 1 24 29 1 40 24 -2 25 30 1 41 25 -1 26 35 1 39 26 -1 27 31 1 43 27 -2 28 32 1 45 28 -1 33 39 1 33 40 1 34 42 1 35 37 1 36 38 1 36 45 1 40 44 1 41 43 1 41 44 1 44 45 1', '45 46 H 14.33 -11.00 C 17.68 -9.78 C 14.03 -14.62 C 11.08 -13.56 C 9.27 -11.41 C 12.94 -5.29 C 18.14 -17.05 C 16.07 -15.85 C 17.68 -6.35 C 21.85 -10.15 C 21.46 -8.52 C 11.38 -8.53 O 12.84 -12.96 O 10.69 -11.06 O 9.27 -8.99 O 11.75 -7.41 O 21.73 -11.86 O 19.62 -14.65 O 15.11 -6.36 C 18.14 -8.65 C 19.56 -8.65 C 19.56 -12.10 C 13.34 -8.20 O 15.15 -12.41 O 12.90 -11.89 O 17.59 -13.44 O 11.38 -10.20 O 14.19 -7.32 C 14.03 -13.26 C 11.52 -12.19 C 9.98 -10.20 C 12.94 -6.69 C 17.12 -11.08 C 20.58 -11.08 C 18.23 -14.65 C 15.68 -7.63 C 17.47 -15.83 C 17.12 -7.63 C 18.14 -12.10 C 15.68 -11.08 C 13.34 -10.51 C 20.58 -9.66 C 12.50 -9.36 C 14.70 -10.07 C 14.70 -8.65 44 1 -2 2 33 2 3 29 1 4 30 1 5 31 1 6 32 1 7 37 1 8 37 1 38 9 -2 42 10 -2 42 11 -1 43 12 -1 13 29 2 14 30 2 15 31 2 16 32 2 17 34 2 18 35 2 19 36 2 20 21 2 20 38 1 21 42 1 22 34 1 22 39 1 23 43 1 23 45 1 24 29 1 40 24 -2 25 30 1 41 25 -1 26 35 1 39 26 -1 27 31 1 43 27 -2 28 32 1 45 28 -1 33 39 1 33 40 1 34 42 1 35 37 1 36 38 1 36 45 1 40 44 1 41 43 1 41 44 1 44 45 1', '45 46 H 14.33 -11.00 C:110 17.68 -9.78 C:21 14.03 -14.62 C:21 11.08 -13.56 C:21 9.27 -11.41 C:21 12.94 -5.29 C:19 18.14 -17.05 C:19 16.07 -15.85 C:20 17.68 -6.35 C:23 21.85 -10.15 C:27 21.46 -8.52 C:18 11.38 -8.53 O 12.84 -12.96 O 10.69 -11.06 O 9.27 -8.99 O 11.75 -7.41 O 21.73 -11.86 O 19.62 -14.65 O 15.11 -6.36 C:133 18.14 -8.65 C:137 19.56 -8.65 C:46 19.56 -12.10 C:47 13.34 -8.20 O 15.15 -12.41 O 12.90 -11.89 O 17.59 -13.44 O 11.38 -10.20 O 14.19 -7.32 C:169 14.03 -13.26 C:170 11.52 -12.19 C:170 9.98 -10.20 C:169 12.94 -6.69 C:147 17.12 -11.08 C:210 20.58 -11.08 C:175 18.23 -14.65 C:210 15.68 -7.63 C:35 17.47 -15.83 C:45 17.12 -7.63 C:69 18.14 -12.10 C:68 15.68 -11.08 C:78 13.34 -10.51 C:48 20.58 -9.66 C:86 12.50 -9.36 C:50 14.70 -10.07 C:92 14.70 -8.65 44 1 -2 2 33 2 3 29 1 4 30 1 5 31 1 6 32 1 7 37 1 8 37 1 38 9 -2 42 10 -2 42 11 -1 43 12 -1 13 29 2 14 30 2 15 31 2 16 32 2 17 34 2 18 35 2 19 36 2 20 21 2 20 38 1 21 42 1 22 34 1 22 39 1 23 43 1 23 45 1 24 29 1 40 24 -2 25 30 1 41 25 -1 26 35 1 39 26 -1 27 31 1 43 27 -2 28 32 1 45 28 -1 33 39 1 33 40 1 34 42 1 35 37 1 36 38 1 36 45 1 40 44 1 41 43 1 41 44 1 44 45 1', 'C32H44O12', 620.343, 'C', 'np98_749_19', 124, '', '', '1', 36, NULL, NULL),
(8393, 'Esulatin A', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[CH:7002]([CH3:7003])[CH3:7201])[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([CH3:19])([CH3:18])[C@@H:11]1O[C@H:12]1[C@@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C)[C@@H]1O[C@H]1[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]3OC(C)=O', '[H][C@@:50]23[C@@H:68](O[C:168]([CH3:21])=O)[C:142](=[CH2:112])[C@H:69](O[C:175](=O)[CH:34]([CH3:19])[CH3:18])[C@@H:69](O[C:170]([CH3:21])=O)[C@@H:77](O[C:169]([CH3:21])=O)[C@@:40]([CH3:18])([CH3:24])[C@@H:58]1O[C@H:57]1[C@@H:37]([CH3:15])[C:210](=O)[C@@:93]2(O[C:170]([CH3:21])=O)[CH2:46][C@@:87]([CH3:18])(O[C:170]([CH3:22])=O)[C@@H:78]3O[C:169]([CH3:21])=O', '53 55 H 13.21 -11.01 C:17 16.56 -9.79 C:8002 20.83 -14.93 C:5002 12.91 -14.63 C:9002 22.95 -12.27 C:3002 9.96 -13.56 C:2002 8.16 -11.41 C:15002 11.78 -5.28 C:7003 14.94 -15.85 C:7201 17.02 -17.06 C:20 16.56 -6.34 C:19 20.34 -8.52 C:18 20.70 -10.16 C:16 10.26 -8.53 O 21.20 -12.57 O 11.72 -12.96 O 22.32 -10.01 O 9.57 -11.07 O 8.16 -8.99 O 10.62 -7.41 O 18.49 -14.66 O 14.03 -6.35 C:1 12.22 -8.20 O 18.97 -13.44 O 14.03 -12.42 O 20.58 -11.87 O 11.78 -11.90 O 16.47 -13.44 O 17.73 -7.44 O 10.26 -10.20 O 13.07 -7.32 C:8001 20.34 -13.66 C:5001 12.91 -13.26 C:9001 21.88 -11.39 C:3001 10.40 -12.20 C:2001 8.86 -10.20 C:15001 11.78 -6.68 C:6 16.00 -11.09 C:7001 17.11 -14.66 C:14 14.56 -7.63 C:7002 16.35 -15.84 C:13 16.00 -7.63 C:7 17.02 -12.11 C:8 18.43 -12.11 C:12 17.02 -8.65 C:5 14.56 -11.09 C:9 19.43 -11.09 C:11 18.43 -8.65 C:3 12.22 -10.52 C:10 19.43 -9.67 C:2 11.38 -9.36 C:4 13.58 -10.08 C:15 13.58 -8.65 52 1 -2 2 38 2 3 32 1 4 33 1 5 34 1 6 35 1 7 36 1 8 37 1 9 41 1 10 41 1 42 11 -2 50 12 -1 50 13 -2 51 14 -1 15 32 2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 21 39 2 22 40 2 23 51 1 23 53 1 24 32 1 44 24 -2 25 33 1 46 25 -2 26 34 1 47 26 -2 27 35 1 49 27 -1 28 39 1 43 28 -1 45 29 -2 48 29 -1 30 36 1 51 30 -2 31 37 1 53 31 -1 38 43 1 38 46 1 39 41 1 40 42 1 40 53 1 42 45 1 43 44 1 44 47 1 45 48 1 46 52 1 47 50 1 48 50 1 49 51 1 49 52 1 52 53 1', '53 55 H 13.21 -11.01 C 16.56 -9.79 C 20.83 -14.93 C 12.91 -14.63 C 22.95 -12.27 C 9.96 -13.56 C 8.16 -11.41 C 11.78 -5.28 C 14.94 -15.85 C 17.02 -17.06 C 16.56 -6.34 C 20.34 -8.52 C 20.70 -10.16 C 10.26 -8.53 O 21.20 -12.57 O 11.72 -12.96 O 22.32 -10.01 O 9.57 -11.07 O 8.16 -8.99 O 10.62 -7.41 O 18.49 -14.66 O 14.03 -6.35 C 12.22 -8.20 O 18.97 -13.44 O 14.03 -12.42 O 20.58 -11.87 O 11.78 -11.90 O 16.47 -13.44 O 17.73 -7.44 O 10.26 -10.20 O 13.07 -7.32 C 20.34 -13.66 C 12.91 -13.26 C 21.88 -11.39 C 10.40 -12.20 C 8.86 -10.20 C 11.78 -6.68 C 16.00 -11.09 C 17.11 -14.66 C 14.56 -7.63 C 16.35 -15.84 C 16.00 -7.63 C 17.02 -12.11 C 18.43 -12.11 C 17.02 -8.65 C 14.56 -11.09 C 19.43 -11.09 C 18.43 -8.65 C 12.22 -10.52 C 19.43 -9.67 C 11.38 -9.36 C 13.58 -10.08 C 13.58 -8.65 52 1 -2 2 38 2 3 32 1 4 33 1 5 34 1 6 35 1 7 36 1 8 37 1 9 41 1 10 41 1 42 11 -2 50 12 -1 50 13 -2 51 14 -1 15 32 2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 21 39 2 22 40 2 23 51 1 23 53 1 24 32 1 44 24 -2 25 33 1 46 25 -2 26 34 1 47 26 -2 27 35 1 49 27 -1 28 39 1 43 28 -1 45 29 -2 48 29 -1 30 36 1 51 30 -2 31 37 1 53 31 -1 38 43 1 38 46 1 39 41 1 40 42 1 40 53 1 42 45 1 43 44 1 44 47 1 45 48 1 46 52 1 47 50 1 48 50 1 49 51 1 49 52 1 52 53 1', '53 55 H 13.21 -11.01 C:112 16.56 -9.79 C:21 20.83 -14.93 C:21 12.91 -14.63 C:21 22.95 -12.27 C:21 9.96 -13.56 C:22 8.16 -11.41 C:21 11.78 -5.28 C:19 14.94 -15.85 C:18 17.02 -17.06 C:15 16.56 -6.34 C:18 20.34 -8.52 C:24 20.70 -10.16 C:18 10.26 -8.53 O 21.20 -12.57 O 11.72 -12.96 O 22.32 -10.01 O 9.57 -11.07 O 8.16 -8.99 O 10.62 -7.41 O 18.49 -14.66 O 14.03 -6.35 C:46 12.22 -8.20 O 18.97 -13.44 O 14.03 -12.42 O 20.58 -11.87 O 11.78 -11.90 O 16.47 -13.44 O 17.73 -7.44 O 10.26 -10.20 O 13.07 -7.32 C:170 20.34 -13.66 C:168 12.91 -13.26 C:169 21.88 -11.39 C:169 10.40 -12.20 C:170 8.86 -10.20 C:170 11.78 -6.68 C:142 16.00 -11.09 C:175 17.11 -14.66 C:210 14.56 -7.63 C:34 16.35 -15.84 C:37 16.00 -7.63 C:69 17.02 -12.11 C:69 18.43 -12.11 C:57 17.02 -8.65 C:68 14.56 -11.09 C:77 19.43 -11.09 C:58 18.43 -8.65 C:78 12.22 -10.52 C:40 19.43 -9.67 C:87 11.38 -9.36 C:50 13.58 -10.08 C:93 13.58 -8.65 52 1 -2 2 38 2 3 32 1 4 33 1 5 34 1 6 35 1 7 36 1 8 37 1 9 41 1 10 41 1 42 11 -2 50 12 -1 50 13 -2 51 14 -1 15 32 2 16 33 2 17 34 2 18 35 2 19 36 2 20 37 2 21 39 2 22 40 2 23 51 1 23 53 1 24 32 1 44 24 -2 25 33 1 46 25 -2 26 34 1 47 26 -2 27 35 1 49 27 -1 28 39 1 43 28 -1 45 29 -2 48 29 -1 30 36 1 51 30 -2 31 37 1 53 31 -1 38 43 1 38 46 1 39 41 1 40 42 1 40 53 1 42 45 1 43 44 1 44 47 1 45 48 1 46 52 1 47 50 1 48 50 1 49 51 1 49 52 1 52 53 1', 'C36H50O16', 738.384, 'C', 'np97_331_1', 897, '', '', '1', 36, NULL, NULL),
(8394, 'Esulatin B', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:8][C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)CC(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:50]12[C@@H:68](O[C:170]([CH3:21])=O)[C:147](=[CH2:110])[C@H:70](O[C:170]([CH3:21])=O)[CH2:45][C:209](=O)[C@:49]([CH3:27])([CH3:23])[CH:137]=[CH:133][C@@H:45]([CH3:20])[C:211](=O)[C@@:92]1(O[C:170]([CH3:22])=O)[CH2:47][C@@:86]([CH3:18])(O[C:170]([CH3:21])=O)[C@@H:78]2O[C:169]([CH3:21])=O', '43 44 H 14.32 -11.56 C:17 17.66 -10.34 C:7002 17.45 -16.39 C:5002 14.02 -15.18 C:3002 11.08 -14.11 C:2002 9.27 -11.97 C:15002 12.95 -5.86 C:20 17.66 -6.89 C:18 21.82 -10.71 C:19 21.43 -9.08 C:16 11.37 -9.09 O 19.60 -15.21 O 12.83 -13.51 O 10.69 -11.62 O 9.27 -9.54 O 11.73 -8.00 O 21.70 -12.42 O 15.11 -6.90 C:12 18.12 -9.21 C:11 19.54 -9.21 C:8 19.54 -12.66 C:1 13.33 -8.76 O 17.57 -13.99 O 15.14 -12.97 O 12.89 -12.45 O 11.37 -10.76 O 14.18 -7.88 C:7001 18.21 -15.21 C:5001 14.02 -13.81 C:3001 11.52 -12.75 C:2001 9.97 -10.76 C:15001 12.92 -7.27 C:6 17.10 -11.64 C:9 20.55 -11.64 C:14 15.67 -8.19 C:13 17.10 -8.19 C:7 18.12 -12.66 C:5 15.67 -11.64 C:3 13.33 -11.07 C:10 20.55 -10.22 C:2 12.49 -9.92 C:4 14.69 -10.63 C:15 14.69 -9.21 42 1 -2 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 36 8 -2 40 9 -2 40 10 -1 41 11 -1 12 28 2 13 29 2 14 30 2 15 31 2 16 32 2 17 34 2 18 35 2 19 20 2 19 36 1 20 40 1 21 34 1 21 37 1 22 41 1 22 43 1 23 28 1 37 23 -1 24 29 1 38 24 -2 25 30 1 39 25 -1 26 31 1 41 26 -2 27 32 1 43 27 -1 33 37 1 33 38 1 34 40 1 35 36 1 35 43 1 38 42 1 39 41 1 39 42 1 42 43 1', '43 44 H 14.32 -11.56 C 17.66 -10.34 C 17.45 -16.39 C 14.02 -15.18 C 11.08 -14.11 C 9.27 -11.97 C 12.95 -5.86 C 17.66 -6.89 C 21.82 -10.71 C 21.43 -9.08 C 11.37 -9.09 O 19.60 -15.21 O 12.83 -13.51 O 10.69 -11.62 O 9.27 -9.54 O 11.73 -8.00 O 21.70 -12.42 O 15.11 -6.90 C 18.12 -9.21 C 19.54 -9.21 C 19.54 -12.66 C 13.33 -8.76 O 17.57 -13.99 O 15.14 -12.97 O 12.89 -12.45 O 11.37 -10.76 O 14.18 -7.88 C 18.21 -15.21 C 14.02 -13.81 C 11.52 -12.75 C 9.97 -10.76 C 12.92 -7.27 C 17.10 -11.64 C 20.55 -11.64 C 15.67 -8.19 C 17.10 -8.19 C 18.12 -12.66 C 15.67 -11.64 C 13.33 -11.07 C 20.55 -10.22 C 12.49 -9.92 C 14.69 -10.63 C 14.69 -9.21 42 1 -2 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 36 8 -2 40 9 -2 40 10 -1 41 11 -1 12 28 2 13 29 2 14 30 2 15 31 2 16 32 2 17 34 2 18 35 2 19 20 2 19 36 1 20 40 1 21 34 1 21 37 1 22 41 1 22 43 1 23 28 1 37 23 -1 24 29 1 38 24 -2 25 30 1 39 25 -1 26 31 1 41 26 -2 27 32 1 43 27 -1 33 37 1 33 38 1 34 40 1 35 36 1 35 43 1 38 42 1 39 41 1 39 42 1 42 43 1', '43 44 H 14.32 -11.56 C:110 17.66 -10.34 C:21 17.45 -16.39 C:21 14.02 -15.18 C:21 11.08 -14.11 C:21 9.27 -11.97 C:22 12.95 -5.86 C:20 17.66 -6.89 C:27 21.82 -10.71 C:23 21.43 -9.08 C:18 11.37 -9.09 O 19.60 -15.21 O 12.83 -13.51 O 10.69 -11.62 O 9.27 -9.54 O 11.73 -8.00 O 21.70 -12.42 O 15.11 -6.90 C:133 18.12 -9.21 C:137 19.54 -9.21 C:45 19.54 -12.66 C:47 13.33 -8.76 O 17.57 -13.99 O 15.14 -12.97 O 12.89 -12.45 O 11.37 -10.76 O 14.18 -7.88 C:170 18.21 -15.21 C:170 14.02 -13.81 C:169 11.52 -12.75 C:170 9.97 -10.76 C:170 12.92 -7.27 C:147 17.10 -11.64 C:209 20.55 -11.64 C:211 15.67 -8.19 C:45 17.10 -8.19 C:70 18.12 -12.66 C:68 15.67 -11.64 C:78 13.33 -11.07 C:49 20.55 -10.22 C:86 12.49 -9.92 C:50 14.69 -10.63 C:92 14.69 -9.21 42 1 -2 2 33 2 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 36 8 -2 40 9 -2 40 10 -1 41 11 -1 12 28 2 13 29 2 14 30 2 15 31 2 16 32 2 17 34 2 18 35 2 19 20 2 19 36 1 20 40 1 21 34 1 21 37 1 22 41 1 22 43 1 23 28 1 37 23 -1 24 29 1 38 24 -2 25 30 1 39 25 -1 26 31 1 41 26 -2 27 32 1 43 27 -1 33 37 1 33 38 1 34 40 1 35 36 1 35 43 1 38 42 1 39 41 1 39 42 1 42 43 1', 'C30H40O12', 592.322, 'C', 'np97_331_2', 897, '', '', '1', 36, NULL, NULL),
(8395, 'Esulatin C', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:11]13O[C@:14](O)([CH:13]([CH3:20])[C:12]1=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@:4]2([H])[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[CH:7](O[C:7001](=O)[CH:7002]([CH3:7003])[CH3:7201])[CH:8](O[C:8001]([CH3:8002])=O)[CH:9](O[C:9001]([CH3:9002])=O)[C@:10]3([CH3:19])[CH3:18]', '[H][C@]13O[C@](O)(C(C)C1=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@]2([H])[C@@H](OC(C)=O)C(=C)C(OC(=O)C(C)C)C(OC(C)=O)C(OC(C)=O)[C@]3(C)C', '[H][C@:77]13O[C@:106](O)([CH:22]([CH3:10])[C:214]1=O)[C@@:90]2(O[C:168]([CH3:21])=O)[CH2:44][C@@:89]([CH3:18])(O[C:171]([CH3:21])=O)[C@H:74](O[C:170]([CH3:22])=O)[C@:50]2([H])[C@@H:69](O[C:170]([CH3:21])=O)[C:147](=[CH2:108])[CH:68](O[C:177](=O)[CH:34]([CH3:19])[CH3:20])[CH:71](O[C:169]([CH3:23])=O)[CH:83](O[C:169]([CH3:22])=O)[C@:41]3([CH3:22])[CH3:19]', '55 57 H 17.93 -7.78 H 13.67 -11.87 C:17 16.66 -9.72 C:8002 21.75 -13.47 C:5002 13.67 -15.12 C:9002 23.03 -9.46 C:3002 10.04 -14.32 C:2002 8.08 -12.06 C:15002 12.26 -5.94 C:7003 16.28 -15.87 C:7201 18.60 -16.40 C:20 14.20 -6.22 C:19 19.99 -8.32 C:18 18.86 -7.41 C:16 10.17 -9.41 O 21.44 -11.06 O 12.78 -13.02 O 21.27 -7.78 O 9.61 -11.95 O 8.08 -9.63 O 11.16 -8.10 O 19.27 -13.66 O 17.26 -5.85 O 14.88 -10.10 C:1 12.26 -8.98 O 19.51 -12.55 O 16.93 -13.11 O 14.88 -13.02 O 20.70 -10.14 O 11.82 -12.69 O 10.17 -10.84 O 13.67 -7.97 O 16.13 -9.41 C:8001 20.90 -12.36 C:5001 13.67 -13.72 C:9001 21.66 -9.13 C:3001 10.47 -12.99 C:2001 8.78 -10.84 C:15001 12.33 -7.33 C:6 16.13 -10.84 C:7001 17.93 -14.06 C:12 16.66 -7.12 C:7002 17.60 -15.44 C:13 15.19 -7.27 C:7 17.26 -11.74 C:8 18.65 -11.43 C:5 14.88 -11.56 C:9 19.27 -10.14 C:3 12.26 -11.30 C:10 18.65 -8.84 C:11 17.26 -8.53 C:2 11.42 -10.14 C:4 13.67 -10.84 C:14 14.88 -8.71 C:15 13.67 -9.41 51 1 -2 53 2 -2 3 40 2 4 34 1 5 35 1 6 36 1 7 37 1 8 38 1 9 39 1 10 43 1 11 43 1 12 44 1 50 13 -2 50 14 -1 52 15 -1 16 34 2 17 35 2 18 36 2 19 37 2 20 38 2 21 39 2 22 41 2 23 42 2 54 24 -2 25 52 1 25 55 1 26 34 1 26 46 1 27 41 1 27 45 1 28 35 1 47 28 -2 29 36 1 29 48 1 30 37 1 49 30 -1 31 38 1 52 31 -2 32 39 1 55 32 -1 33 51 1 33 54 1 40 45 1 40 47 1 41 43 1 42 44 1 42 51 1 44 54 1 45 46 1 46 48 1 47 53 1 48 50 1 49 52 1 49 53 1 50 51 1 53 55 1 54 55 1', '55 57 H 17.93 -7.78 H 13.67 -11.87 C 16.66 -9.72 C 21.75 -13.47 C 13.67 -15.12 C 23.03 -9.46 C 10.04 -14.32 C 8.08 -12.06 C 12.26 -5.94 C 16.28 -15.87 C 18.60 -16.40 C 14.20 -6.22 C 19.99 -8.32 C 18.86 -7.41 C 10.17 -9.41 O 21.44 -11.06 O 12.78 -13.02 O 21.27 -7.78 O 9.61 -11.95 O 8.08 -9.63 O 11.16 -8.10 O 19.27 -13.66 O 17.26 -5.85 O 14.88 -10.10 C 12.26 -8.98 O 19.51 -12.55 O 16.93 -13.11 O 14.88 -13.02 O 20.70 -10.14 O 11.82 -12.69 O 10.17 -10.84 O 13.67 -7.97 O 16.13 -9.41 C 20.90 -12.36 C 13.67 -13.72 C 21.66 -9.13 C 10.47 -12.99 C 8.78 -10.84 C 12.33 -7.33 C 16.13 -10.84 C 17.93 -14.06 C 16.66 -7.12 C 17.60 -15.44 C 15.19 -7.27 C 17.26 -11.74 C 18.65 -11.43 C 14.88 -11.56 C 19.27 -10.14 C 12.26 -11.30 C 18.65 -8.84 C 17.26 -8.53 C 11.42 -10.14 C 13.67 -10.84 C 14.88 -8.71 C 13.67 -9.41 51 1 -2 53 2 -2 3 40 2 4 34 1 5 35 1 6 36 1 7 37 1 8 38 1 9 39 1 10 43 1 11 43 1 12 44 1 50 13 -2 50 14 -1 52 15 -1 16 34 2 17 35 2 18 36 2 19 37 2 20 38 2 21 39 2 22 41 2 23 42 2 54 24 -2 25 52 1 25 55 1 26 34 1 26 46 1 27 41 1 27 45 1 28 35 1 47 28 -2 29 36 1 29 48 1 30 37 1 49 30 -1 31 38 1 52 31 -2 32 39 1 55 32 -1 33 51 1 33 54 1 40 45 1 40 47 1 41 43 1 42 44 1 42 51 1 44 54 1 45 46 1 46 48 1 47 53 1 48 50 1 49 52 1 49 53 1 50 51 1 53 55 1 54 55 1', '55 57 H 17.93 -7.78 H 13.67 -11.87 C:108 16.66 -9.72 C:23 21.75 -13.47 C:21 13.67 -15.12 C:22 23.03 -9.46 C:22 10.04 -14.32 C:21 8.08 -12.06 C:21 12.26 -5.94 C:19 16.28 -15.87 C:20 18.60 -16.40 C:10 14.20 -6.22 C:22 19.99 -8.32 C:19 18.86 -7.41 C:18 10.17 -9.41 O 21.44 -11.06 O 12.78 -13.02 O 21.27 -7.78 O 9.61 -11.95 O 8.08 -9.63 O 11.16 -8.10 O 19.27 -13.66 O 17.26 -5.85 O 14.88 -10.10 C:44 12.26 -8.98 O 19.51 -12.55 O 16.93 -13.11 O 14.88 -13.02 O 20.70 -10.14 O 11.82 -12.69 O 10.17 -10.84 O 13.67 -7.97 O 16.13 -9.41 C:169 20.90 -12.36 C:170 13.67 -13.72 C:169 21.66 -9.13 C:170 10.47 -12.99 C:171 8.78 -10.84 C:168 12.33 -7.33 C:147 16.13 -10.84 C:177 17.93 -14.06 C:214 16.66 -7.12 C:34 17.60 -15.44 C:22 15.19 -7.27 C:68 17.26 -11.74 C:71 18.65 -11.43 C:69 14.88 -11.56 C:83 19.27 -10.14 C:74 12.26 -11.30 C:41 18.65 -8.84 C:77 17.26 -8.53 C:89 11.42 -10.14 C:50 13.67 -10.84 C:106 14.88 -8.71 C:90 13.67 -9.41 51 1 -2 53 2 -2 3 40 2 4 34 1 5 35 1 6 36 1 7 37 1 8 38 1 9 39 1 10 43 1 11 43 1 12 44 1 50 13 -2 50 14 -1 52 15 -1 16 34 2 17 35 2 18 36 2 19 37 2 20 38 2 21 39 2 22 41 2 23 42 2 54 24 -2 25 52 1 25 55 1 26 34 1 26 46 1 27 41 1 27 45 1 28 35 1 47 28 -2 29 36 1 29 48 1 30 37 1 49 30 -1 31 38 1 52 31 -2 32 39 1 55 32 -1 33 51 1 33 54 1 40 45 1 40 47 1 41 43 1 42 44 1 42 51 1 44 54 1 45 46 1 46 48 1 47 53 1 48 50 1 49 52 1 49 53 1 50 51 1 53 55 1 54 55 1', 'C36H50O17', 754.391, 'C', 'np97_331_3', 897, '', '', '1', 36, NULL, NULL),
(8396, 'Terracinolides C', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[CH2:1][C@:15]1(O[C:15001]([CH3:15002])=O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@:10]([CH3:19])([CH3:18])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7004])[CH3:7003])[C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]23', '[H][C@]12[C@@H](O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@@H](C)C=C[C@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]3(OC(C)=O)CCC(=O)O[C@@H]23', '[H][C@:47]12[C@@H:77](O)[C@:88]([CH3:18])(O[C:170]([CH3:23])=O)[CH2:50][C@:91]1(O[C:170]([CH3:21])=O)[C:205](=O)[C@@H:43]([CH3:21])[CH:131]=[CH:134][C@:40]([CH3:23])([CH3:26])[C@H:82](O[C:170]([CH3:21])=O)[C@H:67](O[C:169]([CH3:23])=O)[C@@H:67](O[C:174](=O)[CH:34]([CH3:18])[CH3:19])[C@:80]3(O[C:170]([CH3:21])=O)[CH2:26][CH2:29][C:173](=O)O[C@@H:73]23', '53 55 H 13.31 -11.08 C:8002 21.22 -15.10 C:9002 23.43 -12.39 C:2002 7.66 -8.34 C:6002 13.98 -14.21 C:15002 11.67 -5.22 C:7004 17.76 -17.02 C:7003 15.56 -16.04 C:20 16.78 -6.18 C:19 20.71 -8.49 C:18 21.11 -10.21 C:16 10.16 -10.13 O 21.63 -12.80 O 22.79 -10.16 O 8.92 -10.53 O 13.37 -12.12 O 10.79 -7.45 O 14.69 -8.40 O 18.90 -14.46 O 14.16 -6.20 O 11.85 -12.00 C:12 17.28 -8.65 C:11 18.74 -8.65 C:21 16.37 -9.13 C:17 16.79 -10.16 C:1 12.31 -8.16 O 19.28 -13.57 O 20.98 -11.98 O 14.61 -10.16 O 16.70 -13.48 O 10.15 -8.34 O 15.57 -12.38 O 13.18 -7.23 C:8001 20.74 -13.82 C:9001 22.34 -11.47 C:2001 8.92 -9.06 C:6001 14.25 -12.84 C:15001 11.85 -6.66 C:22 14.92 -9.13 C:7001 17.52 -14.61 C:14 14.74 -7.55 C:7002 16.96 -15.89 C:13 16.19 -7.55 C:3 12.31 -10.57 C:8 18.74 -12.22 C:9 19.76 -11.17 C:7 17.28 -12.22 C:5 15.00 -11.17 C:10 19.76 -9.67 C:2 11.43 -9.36 C:4 13.70 -10.13 C:6 16.28 -11.17 C:15 13.70 -8.65 51 1 -2 2 34 1 3 35 1 4 36 1 5 37 1 6 38 1 7 42 1 8 42 1 43 9 -1 49 10 -1 49 11 -2 50 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 44 21 -1 22 23 2 22 43 1 23 49 1 24 25 1 24 39 1 52 25 -2 26 50 1 26 53 1 27 34 1 45 27 -2 28 35 1 46 28 -2 29 39 1 48 29 -2 30 40 1 47 30 -1 31 36 1 50 31 -2 32 37 1 52 32 -1 33 38 1 53 33 -1 40 42 1 41 43 1 41 53 1 44 50 1 44 51 1 45 46 1 45 47 1 46 49 1 47 52 1 48 51 1 48 52 1 51 53 1', '53 55 H 13.31 -11.08 C 21.22 -15.10 C 23.43 -12.39 C 7.66 -8.34 C 13.98 -14.21 C 11.67 -5.22 C 17.76 -17.02 C 15.56 -16.04 C 16.78 -6.18 C 20.71 -8.49 C 21.11 -10.21 C 10.16 -10.13 O 21.63 -12.80 O 22.79 -10.16 O 8.92 -10.53 O 13.37 -12.12 O 10.79 -7.45 O 14.69 -8.40 O 18.90 -14.46 O 14.16 -6.20 O 11.85 -12.00 C 17.28 -8.65 C 18.74 -8.65 C 16.37 -9.13 C 16.79 -10.16 C 12.31 -8.16 O 19.28 -13.57 O 20.98 -11.98 O 14.61 -10.16 O 16.70 -13.48 O 10.15 -8.34 O 15.57 -12.38 O 13.18 -7.23 C 20.74 -13.82 C 22.34 -11.47 C 8.92 -9.06 C 14.25 -12.84 C 11.85 -6.66 C 14.92 -9.13 C 17.52 -14.61 C 14.74 -7.55 C 16.96 -15.89 C 16.19 -7.55 C 12.31 -10.57 C 18.74 -12.22 C 19.76 -11.17 C 17.28 -12.22 C 15.00 -11.17 C 19.76 -9.67 C 11.43 -9.36 C 13.70 -10.13 C 16.28 -11.17 C 13.70 -8.65 51 1 -2 2 34 1 3 35 1 4 36 1 5 37 1 6 38 1 7 42 1 8 42 1 43 9 -1 49 10 -1 49 11 -2 50 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 44 21 -1 22 23 2 22 43 1 23 49 1 24 25 1 24 39 1 52 25 -2 26 50 1 26 53 1 27 34 1 45 27 -2 28 35 1 46 28 -2 29 39 1 48 29 -2 30 40 1 47 30 -1 31 36 1 50 31 -2 32 37 1 52 32 -1 33 38 1 53 33 -1 40 42 1 41 43 1 41 53 1 44 50 1 44 51 1 45 46 1 45 47 1 46 49 1 47 52 1 48 51 1 48 52 1 51 53 1', '53 55 H 13.31 -11.08 C:23 21.22 -15.10 C:21 23.43 -12.39 C:23 7.66 -8.34 C:21 13.98 -14.21 C:21 11.67 -5.22 C:18 17.76 -17.02 C:19 15.56 -16.04 C:21 16.78 -6.18 C:23 20.71 -8.49 C:26 21.11 -10.21 C:18 10.16 -10.13 O 21.63 -12.80 O 22.79 -10.16 O 8.92 -10.53 O 13.37 -12.12 O 10.79 -7.45 O 14.69 -8.40 O 18.90 -14.46 O 14.16 -6.20 O 11.85 -12.00 C:131 17.28 -8.65 C:134 18.74 -8.65 C:29 16.37 -9.13 C:26 16.79 -10.16 C:50 12.31 -8.16 O 19.28 -13.57 O 20.98 -11.98 O 14.61 -10.16 O 16.70 -13.48 O 10.15 -8.34 O 15.57 -12.38 O 13.18 -7.23 C:169 20.74 -13.82 C:170 22.34 -11.47 C:170 8.92 -9.06 C:170 14.25 -12.84 C:170 11.85 -6.66 C:173 14.92 -9.13 C:174 17.52 -14.61 C:205 14.74 -7.55 C:34 16.96 -15.89 C:43 16.19 -7.55 C:77 12.31 -10.57 C:67 18.74 -12.22 C:82 19.76 -11.17 C:67 17.28 -12.22 C:73 15.00 -11.17 C:40 19.76 -9.67 C:88 11.43 -9.36 C:47 13.70 -10.13 C:80 16.28 -11.17 C:91 13.70 -8.65 51 1 -2 2 34 1 3 35 1 4 36 1 5 37 1 6 38 1 7 42 1 8 42 1 43 9 -1 49 10 -1 49 11 -2 50 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 44 21 -1 22 23 2 22 43 1 23 49 1 24 25 1 24 39 1 52 25 -2 26 50 1 26 53 1 27 34 1 45 27 -2 28 35 1 46 28 -2 29 39 1 48 29 -2 30 40 1 47 30 -1 31 36 1 50 31 -2 32 37 1 52 32 -1 33 38 1 53 33 -1 40 42 1 41 43 1 41 53 1 44 50 1 44 51 1 45 46 1 45 47 1 46 49 1 47 52 1 48 51 1 48 52 1 51 53 1', 'C36H50O16', 738.384, 'C', 'ph45_137_3', 1455, '', '', '1', 36, NULL, NULL),
(8397, 'Terracinolides D', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]13[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[CH2:1][C@:15]1(O[C:15001]([CH3:15002])=O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@:10]([CH3:19])([CH3:18])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001]([CH3:7002])=O)[C@:6]4(O[C:6001](=O)[c:6002]2[cH:6003][cH:6004][cH:6005][cH:6006][cH:6007]2)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]34', '[H][C@]13[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@@H](C)C=C[C@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4(OC(=O)c2ccccc2)CCC(=O)O[C@@H]34', '[H][C@:46]13[C@@H:79](O[C:170]([CH3:21])=O)[C@:87]([CH3:18])(O[C:170]([CH3:22])=O)[CH2:48][C@:90]1(O[C:169]([CH3:21])=O)[C:202](=O)[C@@H:43]([CH3:21])[CH:130]=[CH:135][C@:40]([CH3:23])([CH3:26])[C@H:82](O[C:169]([CH3:21])=O)[C@H:68](O[C:169]([CH3:21])=O)[C@@H:68](O[C:169]([CH3:21])=O)[C@:80]4(O[C:166](=O)[c:134]2[cH:130][cH:130][cH:128][cH:130][cH:130]2)[CH2:27][CH2:29][C:172](=O)O[C@@H:73]34', '59 62 H 13.30 -11.14 C:8002 21.22 -15.16 C:9002 23.44 -12.44 C:7002 16.96 -15.95 C:3002 10.04 -13.68 C:2002 7.65 -8.40 C:15002 11.66 -5.28 C:20 16.79 -6.24 C:19 20.74 -8.55 C:18 21.11 -10.27 C:16 10.15 -10.19 O 21.64 -12.85 O 22.80 -10.22 O 18.90 -14.52 O 9.53 -11.33 O 8.91 -10.59 O 10.78 -7.51 O 14.69 -8.46 O 13.36 -12.18 O 14.15 -6.26 C:12 17.28 -8.71 C:11 18.74 -8.71 C:6005 13.43 -17.01 C:6004 14.77 -16.56 C:6006 12.38 -16.09 C:6003 15.04 -15.19 C:6007 12.65 -14.72 C:21 16.37 -9.19 C:17 16.79 -10.22 C:1 12.30 -8.22 O 19.28 -13.62 O 20.98 -12.04 O 16.70 -13.53 O 11.84 -12.06 O 14.61 -10.22 O 10.15 -8.40 O 13.17 -7.29 O 15.56 -12.43 C:8001 20.74 -13.87 C:9001 22.35 -11.53 C:7001 17.52 -14.67 C:3001 10.47 -12.35 C:2001 8.91 -9.12 C:15001 11.84 -6.72 C:22 14.92 -9.19 C:6001 14.24 -12.89 C:14 14.74 -7.61 C:6002 13.97 -14.26 C:13 16.19 -7.61 C:8 18.74 -12.27 C:9 19.76 -11.23 C:7 17.28 -12.27 C:3 12.30 -10.63 C:5 15.00 -11.23 C:10 19.76 -9.73 C:2 11.42 -9.42 C:4 13.69 -10.19 C:15 13.69 -8.71 C:6 16.28 -11.23 57 1 -2 2 39 1 3 40 1 4 41 1 5 42 1 6 43 1 7 44 1 49 8 -1 55 9 -1 55 10 -2 56 11 -1 12 39 2 13 40 2 14 41 2 15 42 2 16 43 2 17 44 2 18 45 2 19 46 2 20 47 2 21 22 2 21 49 1 22 55 1 23 24 2 23 25 1 24 26 1 25 27 2 26 48 2 27 48 1 28 29 1 28 45 1 59 29 -2 30 56 1 30 58 1 31 39 1 50 31 -2 32 40 1 51 32 -2 33 41 1 52 33 -1 34 42 1 53 34 -1 35 45 1 54 35 -2 36 43 1 56 36 -2 37 44 1 58 37 -1 38 46 1 59 38 -1 46 48 1 47 49 1 47 58 1 50 51 1 50 52 1 51 55 1 52 59 1 53 56 1 53 57 1 54 57 1 54 59 1 57 58 1', '59 62 H 13.30 -11.14 C 21.22 -15.16 C 23.44 -12.44 C 16.96 -15.95 C 10.04 -13.68 C 7.65 -8.40 C 11.66 -5.28 C 16.79 -6.24 C 20.74 -8.55 C 21.11 -10.27 C 10.15 -10.19 O 21.64 -12.85 O 22.80 -10.22 O 18.90 -14.52 O 9.53 -11.33 O 8.91 -10.59 O 10.78 -7.51 O 14.69 -8.46 O 13.36 -12.18 O 14.15 -6.26 C 17.28 -8.71 C 18.74 -8.71 C 13.43 -17.01 C 14.77 -16.56 C 12.38 -16.09 C 15.04 -15.19 C 12.65 -14.72 C 16.37 -9.19 C 16.79 -10.22 C 12.30 -8.22 O 19.28 -13.62 O 20.98 -12.04 O 16.70 -13.53 O 11.84 -12.06 O 14.61 -10.22 O 10.15 -8.40 O 13.17 -7.29 O 15.56 -12.43 C 20.74 -13.87 C 22.35 -11.53 C 17.52 -14.67 C 10.47 -12.35 C 8.91 -9.12 C 11.84 -6.72 C 14.92 -9.19 C 14.24 -12.89 C 14.74 -7.61 C 13.97 -14.26 C 16.19 -7.61 C 18.74 -12.27 C 19.76 -11.23 C 17.28 -12.27 C 12.30 -10.63 C 15.00 -11.23 C 19.76 -9.73 C 11.42 -9.42 C 13.69 -10.19 C 13.69 -8.71 C 16.28 -11.23 57 1 -2 2 39 1 3 40 1 4 41 1 5 42 1 6 43 1 7 44 1 49 8 -1 55 9 -1 55 10 -2 56 11 -1 12 39 2 13 40 2 14 41 2 15 42 2 16 43 2 17 44 2 18 45 2 19 46 2 20 47 2 21 22 2 21 49 1 22 55 1 23 24 2 23 25 1 24 26 1 25 27 2 26 48 2 27 48 1 28 29 1 28 45 1 59 29 -2 30 56 1 30 58 1 31 39 1 50 31 -2 32 40 1 51 32 -2 33 41 1 52 33 -1 34 42 1 53 34 -1 35 45 1 54 35 -2 36 43 1 56 36 -2 37 44 1 58 37 -1 38 46 1 59 38 -1 46 48 1 47 49 1 47 58 1 50 51 1 50 52 1 51 55 1 52 59 1 53 56 1 53 57 1 54 57 1 54 59 1 57 58 1', '59 62 H 13.30 -11.14 C:21 21.22 -15.16 C:21 23.44 -12.44 C:21 16.96 -15.95 C:21 10.04 -13.68 C:22 7.65 -8.40 C:21 11.66 -5.28 C:21 16.79 -6.24 C:23 20.74 -8.55 C:26 21.11 -10.27 C:18 10.15 -10.19 O 21.64 -12.85 O 22.80 -10.22 O 18.90 -14.52 O 9.53 -11.33 O 8.91 -10.59 O 10.78 -7.51 O 14.69 -8.46 O 13.36 -12.18 O 14.15 -6.26 C:130 17.28 -8.71 C:135 18.74 -8.71 C:128 13.43 -17.01 C:130 14.77 -16.56 C:130 12.38 -16.09 C:130 15.04 -15.19 C:130 12.65 -14.72 C:29 16.37 -9.19 C:27 16.79 -10.22 C:48 12.30 -8.22 O 19.28 -13.62 O 20.98 -12.04 O 16.70 -13.53 O 11.84 -12.06 O 14.61 -10.22 O 10.15 -8.40 O 13.17 -7.29 O 15.56 -12.43 C:169 20.74 -13.87 C:169 22.35 -11.53 C:169 17.52 -14.67 C:170 10.47 -12.35 C:170 8.91 -9.12 C:169 11.84 -6.72 C:172 14.92 -9.19 C:166 14.24 -12.89 C:202 14.74 -7.61 C:134 13.97 -14.26 C:43 16.19 -7.61 C:68 18.74 -12.27 C:82 19.76 -11.23 C:68 17.28 -12.27 C:79 12.30 -10.63 C:73 15.00 -11.23 C:40 19.76 -9.73 C:87 11.42 -9.42 C:46 13.69 -10.19 C:90 13.69 -8.71 C:80 16.28 -11.23 57 1 -2 2 39 1 3 40 1 4 41 1 5 42 1 6 43 1 7 44 1 49 8 -1 55 9 -1 55 10 -2 56 11 -1 12 39 2 13 40 2 14 41 2 15 42 2 16 43 2 17 44 2 18 45 2 19 46 2 20 47 2 21 22 2 21 49 1 22 55 1 23 24 2 23 25 1 24 26 1 25 27 2 26 48 2 27 48 1 28 29 1 28 45 1 59 29 -2 30 56 1 30 58 1 31 39 1 50 31 -2 32 40 1 51 32 -2 33 41 1 52 33 -1 34 42 1 53 34 -1 35 45 1 54 35 -2 36 43 1 56 36 -2 37 44 1 58 37 -1 38 46 1 59 38 -1 46 48 1 47 49 1 47 58 1 50 51 1 50 52 1 51 55 1 52 59 1 53 56 1 53 57 1 54 57 1 54 59 1 57 58 1', 'C41H50O17', 814.436, 'C', 'ph45_137_4', 1455, '', '', '1', 36, NULL, NULL),
(8398, 'Terracinolides E', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]13[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[CH2:1][C@:15]1(O[C:15001]([CH3:15002])=O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@:10]([CH3:19])([CH3:18])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH2:7002][CH3:7003])[C@:6]4(O[C:6001](=O)[c:6002]2[cH:6003][cH:6004][cH:6005][cH:6006][cH:6007]2)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]34', '[H][C@]13[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@@H](C)C=C[C@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)CC)[C@]4(OC(=O)c2ccccc2)CCC(=O)O[C@@H]34', '[H][C@:46]13[C@@H:79](O[C:169]([CH3:21])=O)[C@:87]([CH3:18])(O[C:170]([CH3:21])=O)[CH2:49][C@:90]1(O[C:169]([CH3:20])=O)[C:202](=O)[C@@H:43]([CH3:21])[CH:130]=[CH:135][C@:40]([CH3:23])([CH3:26])[C@H:82](O[C:169]([CH3:22])=O)[C@H:68](O[C:170]([CH3:21])=O)[C@@H:68](O[C:173](=O)[CH2:27][CH3:8])[C@:81]4(O[C:166](=O)[c:134]2[cH:130][cH:128][cH:130][cH:128][cH:130]2)[CH2:27][CH2:29][C:172](=O)O[C@@H:73]34', '60 63 H 13.31 -11.09 C:7003 17.80 -17.03 C:8002 21.23 -15.11 C:9002 23.44 -12.39 C:3002 10.04 -13.63 C:2002 7.65 -8.35 C:15002 11.67 -5.23 C:20 16.80 -6.19 C:19 20.75 -8.50 C:18 21.12 -10.22 C:16 10.15 -10.14 O 21.65 -12.80 O 22.80 -10.17 O 9.53 -11.28 O 8.91 -10.53 O 10.78 -7.46 O 18.91 -14.47 O 14.70 -8.41 O 13.37 -12.13 O 14.16 -6.21 C:12 17.29 -8.66 C:11 18.75 -8.66 C:6005 13.44 -16.96 C:6004 14.78 -16.51 C:6006 12.39 -16.04 C:6003 15.05 -15.14 C:6007 12.66 -14.67 C:7002 16.97 -15.90 C:21 16.38 -9.14 C:17 16.80 -10.17 C:1 12.31 -8.17 O 19.29 -13.57 O 20.99 -11.99 O 16.71 -13.48 O 11.85 -12.01 O 14.62 -10.17 O 10.15 -8.35 O 13.18 -7.24 O 15.57 -12.38 C:8001 20.75 -13.82 C:9001 22.36 -11.48 C:3001 10.47 -12.30 C:2001 8.91 -9.07 C:15001 11.85 -6.67 C:7001 17.53 -14.62 C:22 14.93 -9.14 C:6001 14.25 -12.84 C:14 14.75 -7.56 C:6002 13.98 -14.21 C:13 16.20 -7.56 C:8 18.75 -12.22 C:9 19.77 -11.18 C:7 17.29 -12.22 C:3 12.31 -10.57 C:5 15.01 -11.18 C:10 19.77 -9.68 C:2 11.43 -9.37 C:4 13.70 -10.14 C:15 13.70 -8.66 C:6 16.29 -11.18 58 1 -2 2 28 1 3 40 1 4 41 1 5 42 1 6 43 1 7 44 1 50 8 -1 56 9 -1 56 10 -2 57 11 -1 12 40 2 13 41 2 14 42 2 15 43 2 16 44 2 17 45 2 18 46 2 19 47 2 20 48 2 21 22 2 21 50 1 22 56 1 23 24 2 23 25 1 24 26 1 25 27 2 26 49 2 27 49 1 28 45 1 29 30 1 29 46 1 60 30 -2 31 57 1 31 59 1 32 40 1 51 32 -2 33 41 1 52 33 -2 34 45 1 53 34 -1 35 42 1 54 35 -1 36 46 1 55 36 -2 37 43 1 57 37 -2 38 44 1 59 38 -1 39 47 1 60 39 -1 47 49 1 48 50 1 48 59 1 51 52 1 51 53 1 52 56 1 53 60 1 54 57 1 54 58 1 55 58 1 55 60 1 58 59 1', '60 63 H 13.31 -11.09 C 17.80 -17.03 C 21.23 -15.11 C 23.44 -12.39 C 10.04 -13.63 C 7.65 -8.35 C 11.67 -5.23 C 16.80 -6.19 C 20.75 -8.50 C 21.12 -10.22 C 10.15 -10.14 O 21.65 -12.80 O 22.80 -10.17 O 9.53 -11.28 O 8.91 -10.53 O 10.78 -7.46 O 18.91 -14.47 O 14.70 -8.41 O 13.37 -12.13 O 14.16 -6.21 C 17.29 -8.66 C 18.75 -8.66 C 13.44 -16.96 C 14.78 -16.51 C 12.39 -16.04 C 15.05 -15.14 C 12.66 -14.67 C 16.97 -15.90 C 16.38 -9.14 C 16.80 -10.17 C 12.31 -8.17 O 19.29 -13.57 O 20.99 -11.99 O 16.71 -13.48 O 11.85 -12.01 O 14.62 -10.17 O 10.15 -8.35 O 13.18 -7.24 O 15.57 -12.38 C 20.75 -13.82 C 22.36 -11.48 C 10.47 -12.30 C 8.91 -9.07 C 11.85 -6.67 C 17.53 -14.62 C 14.93 -9.14 C 14.25 -12.84 C 14.75 -7.56 C 13.98 -14.21 C 16.20 -7.56 C 18.75 -12.22 C 19.77 -11.18 C 17.29 -12.22 C 12.31 -10.57 C 15.01 -11.18 C 19.77 -9.68 C 11.43 -9.37 C 13.70 -10.14 C 13.70 -8.66 C 16.29 -11.18 58 1 -2 2 28 1 3 40 1 4 41 1 5 42 1 6 43 1 7 44 1 50 8 -1 56 9 -1 56 10 -2 57 11 -1 12 40 2 13 41 2 14 42 2 15 43 2 16 44 2 17 45 2 18 46 2 19 47 2 20 48 2 21 22 2 21 50 1 22 56 1 23 24 2 23 25 1 24 26 1 25 27 2 26 49 2 27 49 1 28 45 1 29 30 1 29 46 1 60 30 -2 31 57 1 31 59 1 32 40 1 51 32 -2 33 41 1 52 33 -2 34 45 1 53 34 -1 35 42 1 54 35 -1 36 46 1 55 36 -2 37 43 1 57 37 -2 38 44 1 59 38 -1 39 47 1 60 39 -1 47 49 1 48 50 1 48 59 1 51 52 1 51 53 1 52 56 1 53 60 1 54 57 1 54 58 1 55 58 1 55 60 1 58 59 1', '60 63 H 13.31 -11.09 C:8 17.80 -17.03 C:21 21.23 -15.11 C:22 23.44 -12.39 C:21 10.04 -13.63 C:21 7.65 -8.35 C:20 11.67 -5.23 C:21 16.80 -6.19 C:23 20.75 -8.50 C:26 21.12 -10.22 C:18 10.15 -10.14 O 21.65 -12.80 O 22.80 -10.17 O 9.53 -11.28 O 8.91 -10.53 O 10.78 -7.46 O 18.91 -14.47 O 14.70 -8.41 O 13.37 -12.13 O 14.16 -6.21 C:130 17.29 -8.66 C:135 18.75 -8.66 C:130 13.44 -16.96 C:128 14.78 -16.51 C:128 12.39 -16.04 C:130 15.05 -15.14 C:130 12.66 -14.67 C:27 16.97 -15.90 C:29 16.38 -9.14 C:27 16.80 -10.17 C:49 12.31 -8.17 O 19.29 -13.57 O 20.99 -11.99 O 16.71 -13.48 O 11.85 -12.01 O 14.62 -10.17 O 10.15 -8.35 O 13.18 -7.24 O 15.57 -12.38 C:170 20.75 -13.82 C:169 22.36 -11.48 C:169 10.47 -12.30 C:170 8.91 -9.07 C:169 11.85 -6.67 C:173 17.53 -14.62 C:172 14.93 -9.14 C:166 14.25 -12.84 C:202 14.75 -7.56 C:134 13.98 -14.21 C:43 16.20 -7.56 C:68 18.75 -12.22 C:82 19.77 -11.18 C:68 17.29 -12.22 C:79 12.31 -10.57 C:73 15.01 -11.18 C:40 19.77 -9.68 C:87 11.43 -9.37 C:46 13.70 -10.14 C:90 13.70 -8.66 C:81 16.29 -11.18 58 1 -2 2 28 1 3 40 1 4 41 1 5 42 1 6 43 1 7 44 1 50 8 -1 56 9 -1 56 10 -2 57 11 -1 12 40 2 13 41 2 14 42 2 15 43 2 16 44 2 17 45 2 18 46 2 19 47 2 20 48 2 21 22 2 21 50 1 22 56 1 23 24 2 23 25 1 24 26 1 25 27 2 26 49 2 27 49 1 28 45 1 29 30 1 29 46 1 60 30 -2 31 57 1 31 59 1 32 40 1 51 32 -2 33 41 1 52 33 -2 34 45 1 53 34 -1 35 42 1 54 35 -1 36 46 1 55 36 -2 37 43 1 57 37 -2 38 44 1 59 38 -1 39 47 1 60 39 -1 47 49 1 48 50 1 48 59 1 51 52 1 51 53 1 52 56 1 53 60 1 54 57 1 54 58 1 55 58 1 55 60 1 58 59 1', 'C42H52O17', 828.447, 'C', 'ph45_137_5', 1455, '', '', '1', 36, NULL, NULL),
(8399, 'Terracinolides F', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[CH2:1][C@:15]1(O[C:15001](=O)[CH:15002]([CH3:15004])[CH3:15003])[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@@:10]([CH3:18])([CH3:19])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7003])[CH3:7004])[C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]23', '[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(=O)C(C)C)C(=O)[C@@H](C)C=C[C@@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]3(OC(C)=O)CCC(=O)O[C@@H]23', '[H][C@:46]12[C@@H:78](O[C:169]([CH3:21])=O)[C@:87]([CH3:18])(O[C:170]([CH3:21])=O)[CH2:49][C@:90]1(O[C:175](=O)[CH:34]([CH3:18])[CH3:19])[C:204](=O)[C@@H:43]([CH3:21])[CH:131]=[CH:135][C@@:40]([CH3:26])([CH3:23])[C@H:82](O[C:169]([CH3:21])=O)[C@H:67](O[C:170]([CH3:21])=O)[C@@H:66](O[C:177](=O)[CH:35]([CH3:20])[CH3:18])[C@:80]3(O[C:169]([CH3:22])=O)[CH2:26][CH2:29][C:172](=O)O[C@@H:72]23', '58 60 H 13.31 -11.53 C:8002 21.22 -15.55 C:9002 23.44 -12.84 C:3002 10.05 -14.08 C:2002 7.66 -8.79 C:6002 13.98 -14.66 C:7003 15.56 -16.49 C:7004 17.76 -17.47 C:15004 10.40 -5.08 C:15003 12.79 -4.83 C:20 16.79 -6.63 C:18 21.11 -10.66 C:19 20.74 -8.94 C:16 10.16 -10.58 O 21.64 -13.25 O 22.80 -10.61 O 9.54 -11.72 O 8.92 -10.98 O 13.37 -12.57 O 14.69 -8.85 O 18.90 -14.91 O 10.79 -7.90 O 14.16 -6.65 C:12 17.28 -9.10 C:11 18.74 -9.10 C:21 16.37 -9.58 C:17 16.79 -10.61 C:1 12.31 -8.61 O 19.28 -14.02 O 20.98 -12.43 O 11.85 -12.45 O 14.61 -10.61 O 16.70 -13.93 O 10.16 -8.79 O 15.56 -12.83 O 13.18 -7.68 C:8001 20.74 -14.27 C:9001 22.35 -11.92 C:3001 10.48 -12.75 C:2001 8.92 -9.51 C:6001 14.25 -13.29 C:22 14.92 -9.58 C:7001 17.52 -15.06 C:15001 11.85 -7.11 C:14 14.74 -8.00 C:7002 16.96 -16.34 C:15002 11.67 -5.67 C:13 16.19 -8.00 C:8 18.74 -12.67 C:9 19.76 -11.62 C:7 17.28 -12.67 C:3 12.31 -11.02 C:5 15.00 -11.62 C:10 19.76 -10.12 C:2 11.43 -9.81 C:4 13.70 -10.58 C:6 16.28 -11.62 C:15 13.70 -9.10 56 1 -2 2 37 1 3 38 1 4 39 1 5 40 1 6 41 1 7 46 1 8 46 1 9 47 1 10 47 1 48 11 -1 54 12 -2 54 13 -1 55 14 -1 15 37 2 16 38 2 17 39 2 18 40 2 19 41 2 20 42 2 21 43 2 22 44 2 23 45 2 24 25 2 24 48 1 25 54 1 26 27 1 26 42 1 57 27 -2 28 55 1 28 58 1 29 37 1 49 29 -2 30 38 1 50 30 -2 31 39 1 52 31 -1 32 42 1 53 32 -2 33 43 1 51 33 -1 34 40 1 55 34 -2 35 41 1 57 35 -1 36 44 1 58 36 -1 43 46 1 44 47 1 45 48 1 45 58 1 49 50 1 49 51 1 50 54 1 51 57 1 52 55 1 52 56 1 53 56 1 53 57 1 56 58 1', '58 60 H 13.31 -11.53 C 21.22 -15.55 C 23.44 -12.84 C 10.05 -14.08 C 7.66 -8.79 C 13.98 -14.66 C 15.56 -16.49 C 17.76 -17.47 C 10.40 -5.08 C 12.79 -4.83 C 16.79 -6.63 C 21.11 -10.66 C 20.74 -8.94 C 10.16 -10.58 O 21.64 -13.25 O 22.80 -10.61 O 9.54 -11.72 O 8.92 -10.98 O 13.37 -12.57 O 14.69 -8.85 O 18.90 -14.91 O 10.79 -7.90 O 14.16 -6.65 C 17.28 -9.10 C 18.74 -9.10 C 16.37 -9.58 C 16.79 -10.61 C 12.31 -8.61 O 19.28 -14.02 O 20.98 -12.43 O 11.85 -12.45 O 14.61 -10.61 O 16.70 -13.93 O 10.16 -8.79 O 15.56 -12.83 O 13.18 -7.68 C 20.74 -14.27 C 22.35 -11.92 C 10.48 -12.75 C 8.92 -9.51 C 14.25 -13.29 C 14.92 -9.58 C 17.52 -15.06 C 11.85 -7.11 C 14.74 -8.00 C 16.96 -16.34 C 11.67 -5.67 C 16.19 -8.00 C 18.74 -12.67 C 19.76 -11.62 C 17.28 -12.67 C 12.31 -11.02 C 15.00 -11.62 C 19.76 -10.12 C 11.43 -9.81 C 13.70 -10.58 C 16.28 -11.62 C 13.70 -9.10 56 1 -2 2 37 1 3 38 1 4 39 1 5 40 1 6 41 1 7 46 1 8 46 1 9 47 1 10 47 1 48 11 -1 54 12 -2 54 13 -1 55 14 -1 15 37 2 16 38 2 17 39 2 18 40 2 19 41 2 20 42 2 21 43 2 22 44 2 23 45 2 24 25 2 24 48 1 25 54 1 26 27 1 26 42 1 57 27 -2 28 55 1 28 58 1 29 37 1 49 29 -2 30 38 1 50 30 -2 31 39 1 52 31 -1 32 42 1 53 32 -2 33 43 1 51 33 -1 34 40 1 55 34 -2 35 41 1 57 35 -1 36 44 1 58 36 -1 43 46 1 44 47 1 45 48 1 45 58 1 49 50 1 49 51 1 50 54 1 51 57 1 52 55 1 52 56 1 53 56 1 53 57 1 56 58 1', '58 60 H 13.31 -11.53 C:21 21.22 -15.55 C:21 23.44 -12.84 C:21 10.05 -14.08 C:21 7.66 -8.79 C:22 13.98 -14.66 C:20 15.56 -16.49 C:18 17.76 -17.47 C:18 10.40 -5.08 C:19 12.79 -4.83 C:21 16.79 -6.63 C:26 21.11 -10.66 C:23 20.74 -8.94 C:18 10.16 -10.58 O 21.64 -13.25 O 22.80 -10.61 O 9.54 -11.72 O 8.92 -10.98 O 13.37 -12.57 O 14.69 -8.85 O 18.90 -14.91 O 10.79 -7.90 O 14.16 -6.65 C:131 17.28 -9.10 C:135 18.74 -9.10 C:29 16.37 -9.58 C:26 16.79 -10.61 C:49 12.31 -8.61 O 19.28 -14.02 O 20.98 -12.43 O 11.85 -12.45 O 14.61 -10.61 O 16.70 -13.93 O 10.16 -8.79 O 15.56 -12.83 O 13.18 -7.68 C:170 20.74 -14.27 C:169 22.35 -11.92 C:169 10.48 -12.75 C:170 8.92 -9.51 C:169 14.25 -13.29 C:172 14.92 -9.58 C:177 17.52 -15.06 C:175 11.85 -7.11 C:204 14.74 -8.00 C:35 16.96 -16.34 C:34 11.67 -5.67 C:43 16.19 -8.00 C:67 18.74 -12.67 C:82 19.76 -11.62 C:66 17.28 -12.67 C:78 12.31 -11.02 C:72 15.00 -11.62 C:40 19.76 -10.12 C:87 11.43 -9.81 C:46 13.70 -10.58 C:80 16.28 -11.62 C:90 13.70 -9.10 56 1 -2 2 37 1 3 38 1 4 39 1 5 40 1 6 41 1 7 46 1 8 46 1 9 47 1 10 47 1 48 11 -1 54 12 -2 54 13 -1 55 14 -1 15 37 2 16 38 2 17 39 2 18 40 2 19 41 2 20 42 2 21 43 2 22 44 2 23 45 2 24 25 2 24 48 1 25 54 1 26 27 1 26 42 1 57 27 -2 28 55 1 28 58 1 29 37 1 49 29 -2 30 38 1 50 30 -2 31 39 1 52 31 -1 32 42 1 53 32 -2 33 43 1 51 33 -1 34 40 1 55 34 -2 35 41 1 57 35 -1 36 44 1 58 36 -1 43 46 1 44 47 1 45 48 1 45 58 1 49 50 1 49 51 1 50 54 1 51 57 1 52 55 1 52 56 1 53 56 1 53 57 1 56 58 1', 'C40H56O17', 808.426, 'C', 'ph45_137_6', 1455, '', '', '1', 36, 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
(8400, 'Terracinolides G', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O[C:3001]([CH3:3002])=O)[C@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[CH2:1][C@:15]1(O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@:10]([CH3:19])([CH3:18])[C@H:9](O[C:9001]([CH3:9002])=O)[C@H:8](O[C:8001]([CH3:8002])=O)[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7004])[CH3:7003])[C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][CH2:21][C:22](=O)O[C@@H:5]23', '[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(O)C(=O)[C@@H](C)C=C[C@](C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]3(OC(C)=O)CCC(=O)O[C@@H]23', '[H][C@:45]12[C@@H:79](O[C:170]([CH3:22])=O)[C@:87]([CH3:18])(O[C:170]([CH3:22])=O)[CH2:52][C@:84]1(O)[C:213](=O)[C@@H:44]([CH3:21])[CH:129]=[CH:136][C@:40]([CH3:23])([CH3:26])[C@H:81](O[C:169]([CH3:21])=O)[C@H:67](O[C:169]([CH3:21])=O)[C@@H:67](O[C:175](=O)[CH:34]([CH3:18])[CH3:19])[C@:81]3(O[C:169]([CH3:21])=O)[CH2:25][CH2:29][C:173](=O)O[C@@H:72]23', '53 55 H 13.31 -10.63 C:8002 21.22 -14.65 C:9002 23.44 -11.94 C:3002 10.05 -13.18 C:2002 7.66 -7.89 C:6002 13.98 -13.76 C:7004 17.76 -16.57 C:7003 15.56 -15.59 C:20 16.79 -5.73 C:19 20.74 -8.04 C:18 21.11 -9.76 C:16 10.16 -9.68 O 21.64 -12.35 O 22.80 -9.71 O 9.54 -10.82 O 8.92 -10.08 O 13.37 -11.67 O 14.69 -7.95 O 18.90 -14.01 O 14.16 -5.75 O 13.18 -6.78 C:12 17.28 -8.20 C:11 18.74 -8.20 C:21 16.37 -8.68 C:17 16.79 -9.71 C:1 12.31 -7.71 O 19.28 -13.12 O 20.98 -11.53 O 11.85 -11.55 O 14.61 -9.71 O 16.70 -13.03 O 10.16 -7.89 O 15.56 -11.93 C:8001 20.74 -13.37 C:9001 22.35 -11.02 C:3001 10.48 -11.85 C:2001 8.92 -8.61 C:6001 14.25 -12.39 C:22 14.92 -8.68 C:7001 17.52 -14.16 C:14 14.74 -7.10 C:7002 16.96 -15.44 C:13 16.19 -7.10 C:8 18.74 -11.77 C:9 19.76 -10.72 C:7 17.28 -11.77 C:3 12.31 -10.12 C:5 15.00 -10.72 C:10 19.76 -9.22 C:2 11.43 -8.91 C:4 13.70 -9.68 C:15 13.70 -8.20 C:6 16.28 -10.72 51 1 -2 2 34 1 3 35 1 4 36 1 5 37 1 6 38 1 7 42 1 8 42 1 43 9 -1 49 10 -1 49 11 -2 50 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 52 21 -1 22 23 2 22 43 1 23 49 1 24 25 1 24 39 1 53 25 -2 26 50 1 26 52 1 27 34 1 44 27 -2 28 35 1 45 28 -2 29 36 1 47 29 -1 30 39 1 48 30 -2 31 40 1 46 31 -1 32 37 1 50 32 -2 33 38 1 53 33 -1 40 42 1 41 43 1 41 52 1 44 45 1 44 46 1 45 49 1 46 53 1 47 50 1 47 51 1 48 51 1 48 53 1 51 52 1', '53 55 H 13.31 -10.63 C 21.22 -14.65 C 23.44 -11.94 C 10.05 -13.18 C 7.66 -7.89 C 13.98 -13.76 C 17.76 -16.57 C 15.56 -15.59 C 16.79 -5.73 C 20.74 -8.04 C 21.11 -9.76 C 10.16 -9.68 O 21.64 -12.35 O 22.80 -9.71 O 9.54 -10.82 O 8.92 -10.08 O 13.37 -11.67 O 14.69 -7.95 O 18.90 -14.01 O 14.16 -5.75 O 13.18 -6.78 C 17.28 -8.20 C 18.74 -8.20 C 16.37 -8.68 C 16.79 -9.71 C 12.31 -7.71 O 19.28 -13.12 O 20.98 -11.53 O 11.85 -11.55 O 14.61 -9.71 O 16.70 -13.03 O 10.16 -7.89 O 15.56 -11.93 C 20.74 -13.37 C 22.35 -11.02 C 10.48 -11.85 C 8.92 -8.61 C 14.25 -12.39 C 14.92 -8.68 C 17.52 -14.16 C 14.74 -7.10 C 16.96 -15.44 C 16.19 -7.10 C 18.74 -11.77 C 19.76 -10.72 C 17.28 -11.77 C 12.31 -10.12 C 15.00 -10.72 C 19.76 -9.22 C 11.43 -8.91 C 13.70 -9.68 C 13.70 -8.20 C 16.28 -10.72 51 1 -2 2 34 1 3 35 1 4 36 1 5 37 1 6 38 1 7 42 1 8 42 1 43 9 -1 49 10 -1 49 11 -2 50 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 52 21 -1 22 23 2 22 43 1 23 49 1 24 25 1 24 39 1 53 25 -2 26 50 1 26 52 1 27 34 1 44 27 -2 28 35 1 45 28 -2 29 36 1 47 29 -1 30 39 1 48 30 -2 31 40 1 46 31 -1 32 37 1 50 32 -2 33 38 1 53 33 -1 40 42 1 41 43 1 41 52 1 44 45 1 44 46 1 45 49 1 46 53 1 47 50 1 47 51 1 48 51 1 48 53 1 51 52 1', '53 55 H 13.31 -10.63 C:21 21.22 -14.65 C:21 23.44 -11.94 C:22 10.05 -13.18 C:22 7.66 -7.89 C:21 13.98 -13.76 C:18 17.76 -16.57 C:19 15.56 -15.59 C:21 16.79 -5.73 C:23 20.74 -8.04 C:26 21.11 -9.76 C:18 10.16 -9.68 O 21.64 -12.35 O 22.80 -9.71 O 9.54 -10.82 O 8.92 -10.08 O 13.37 -11.67 O 14.69 -7.95 O 18.90 -14.01 O 14.16 -5.75 O 13.18 -6.78 C:129 17.28 -8.20 C:136 18.74 -8.20 C:29 16.37 -8.68 C:25 16.79 -9.71 C:52 12.31 -7.71 O 19.28 -13.12 O 20.98 -11.53 O 11.85 -11.55 O 14.61 -9.71 O 16.70 -13.03 O 10.16 -7.89 O 15.56 -11.93 C:169 20.74 -13.37 C:169 22.35 -11.02 C:170 10.48 -11.85 C:170 8.92 -8.61 C:169 14.25 -12.39 C:173 14.92 -8.68 C:175 17.52 -14.16 C:213 14.74 -7.10 C:34 16.96 -15.44 C:44 16.19 -7.10 C:67 18.74 -11.77 C:81 19.76 -10.72 C:67 17.28 -11.77 C:79 12.31 -10.12 C:72 15.00 -10.72 C:40 19.76 -9.22 C:87 11.43 -8.91 C:45 13.70 -9.68 C:84 13.70 -8.20 C:81 16.28 -10.72 51 1 -2 2 34 1 3 35 1 4 36 1 5 37 1 6 38 1 7 42 1 8 42 1 43 9 -1 49 10 -1 49 11 -2 50 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 20 41 2 52 21 -1 22 23 2 22 43 1 23 49 1 24 25 1 24 39 1 53 25 -2 26 50 1 26 52 1 27 34 1 44 27 -2 28 35 1 45 28 -2 29 36 1 47 29 -1 30 39 1 48 30 -2 31 40 1 46 31 -1 32 37 1 50 32 -2 33 38 1 53 33 -1 40 42 1 41 43 1 41 52 1 44 45 1 44 46 1 45 49 1 46 53 1 47 50 1 47 51 1 48 51 1 48 53 1 51 52 1', 'C36H50O16', 738.384, 'C', 'ph45_137_7', 1455, '', '', '1', 36, NULL, NULL),
(8401, 'Esulatin  D', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:8][C@@H:9](O[C:9001]([CH3:9002])=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:49]12[C@@H:69](O[C:169]([CH3:21])=O)[C:146](=[CH2:112])[C@H:68](O[C:169]([CH3:22])=O)[CH2:35][C@@H:75](O[C:170]([CH3:21])=O)[C@:40]([CH3:22])([CH3:27])[CH:139]=[CH:130][C@@H:44]([CH3:20])[C:211](=O)[C@@:93]1(O[C:170]([CH3:21])=O)[CH2:47][C@@:87]([CH3:18])(O[C:170]([CH3:21])=O)[C@@H:78]2O[C:169]([CH3:21])=O', '46 47 H 13.21 -11.33 C:17 16.54 -10.11 C:7002 16.33 -16.15 C:9002 22.94 -12.59 C:5002 12.91 -14.94 C:3002 9.95 -13.87 C:2002 8.15 -11.74 C:15002 11.20 -6.10 C:20 16.54 -6.67 C:18 20.69 -10.48 C:19 20.30 -8.85 C:16 10.25 -8.85 O 18.48 -14.97 O 22.31 -10.33 O 11.72 -13.27 O 9.46 -11.48 O 8.15 -9.31 O 10.66 -8.37 O 13.99 -6.68 C:12 17.00 -8.98 C:11 18.42 -8.98 C:8 18.42 -12.43 C:1 12.22 -8.53 O 16.45 -13.75 O 20.57 -12.19 O 14.03 -12.74 O 11.78 -12.22 O 10.25 -10.54 O 13.07 -7.65 C:7001 17.09 -14.97 C:9001 21.87 -11.71 C:5001 12.91 -13.57 C:3001 10.39 -12.52 C:2001 8.85 -10.53 C:15001 11.69 -7.41 C:6 15.98 -11.41 C:14 14.56 -7.96 C:13 15.98 -7.96 C:7 17.00 -12.43 C:9 19.42 -11.41 C:5 14.56 -11.41 C:3 12.22 -10.84 C:10 19.42 -9.99 C:2 11.37 -9.69 C:4 13.58 -10.40 C:15 13.58 -8.98 45 1 -2 2 36 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 38 9 -2 43 10 -2 43 11 -1 44 12 -1 13 30 2 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 21 2 20 38 1 21 43 1 22 39 1 22 40 1 23 44 1 23 46 1 24 30 1 39 24 -1 25 31 1 40 25 -2 26 32 1 41 26 -2 27 33 1 42 27 -1 28 34 1 44 28 -2 29 35 1 46 29 -1 36 39 1 36 41 1 37 38 1 37 46 1 40 43 1 41 45 1 42 44 1 42 45 1 45 46 1', '46 47 H 13.21 -11.33 C 16.54 -10.11 C 16.33 -16.15 C 22.94 -12.59 C 12.91 -14.94 C 9.95 -13.87 C 8.15 -11.74 C 11.20 -6.10 C 16.54 -6.67 C 20.69 -10.48 C 20.30 -8.85 C 10.25 -8.85 O 18.48 -14.97 O 22.31 -10.33 O 11.72 -13.27 O 9.46 -11.48 O 8.15 -9.31 O 10.66 -8.37 O 13.99 -6.68 C 17.00 -8.98 C 18.42 -8.98 C 18.42 -12.43 C 12.22 -8.53 O 16.45 -13.75 O 20.57 -12.19 O 14.03 -12.74 O 11.78 -12.22 O 10.25 -10.54 O 13.07 -7.65 C 17.09 -14.97 C 21.87 -11.71 C 12.91 -13.57 C 10.39 -12.52 C 8.85 -10.53 C 11.69 -7.41 C 15.98 -11.41 C 14.56 -7.96 C 15.98 -7.96 C 17.00 -12.43 C 19.42 -11.41 C 14.56 -11.41 C 12.22 -10.84 C 19.42 -9.99 C 11.37 -9.69 C 13.58 -10.40 C 13.58 -8.98 45 1 -2 2 36 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 38 9 -2 43 10 -2 43 11 -1 44 12 -1 13 30 2 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 21 2 20 38 1 21 43 1 22 39 1 22 40 1 23 44 1 23 46 1 24 30 1 39 24 -1 25 31 1 40 25 -2 26 32 1 41 26 -2 27 33 1 42 27 -1 28 34 1 44 28 -2 29 35 1 46 29 -1 36 39 1 36 41 1 37 38 1 37 46 1 40 43 1 41 45 1 42 44 1 42 45 1 45 46 1', '46 47 H 13.21 -11.33 C:112 16.54 -10.11 C:22 16.33 -16.15 C:21 22.94 -12.59 C:21 12.91 -14.94 C:21 9.95 -13.87 C:21 8.15 -11.74 C:21 11.20 -6.10 C:20 16.54 -6.67 C:22 20.69 -10.48 C:27 20.30 -8.85 C:18 10.25 -8.85 O 18.48 -14.97 O 22.31 -10.33 O 11.72 -13.27 O 9.46 -11.48 O 8.15 -9.31 O 10.66 -8.37 O 13.99 -6.68 C:130 17.00 -8.98 C:139 18.42 -8.98 C:35 18.42 -12.43 C:47 12.22 -8.53 O 16.45 -13.75 O 20.57 -12.19 O 14.03 -12.74 O 11.78 -12.22 O 10.25 -10.54 O 13.07 -7.65 C:169 17.09 -14.97 C:170 21.87 -11.71 C:169 12.91 -13.57 C:169 10.39 -12.52 C:170 8.85 -10.53 C:170 11.69 -7.41 C:146 15.98 -11.41 C:211 14.56 -7.96 C:44 15.98 -7.96 C:68 17.00 -12.43 C:75 19.42 -11.41 C:69 14.56 -11.41 C:78 12.22 -10.84 C:40 19.42 -9.99 C:87 11.37 -9.69 C:49 13.58 -10.40 C:93 13.58 -8.98 45 1 -2 2 36 2 3 30 1 4 31 1 5 32 1 6 33 1 7 34 1 8 35 1 38 9 -2 43 10 -2 43 11 -1 44 12 -1 13 30 2 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 21 2 20 38 1 21 43 1 22 39 1 22 40 1 23 44 1 23 46 1 24 30 1 39 24 -1 25 31 1 40 25 -2 26 32 1 41 26 -2 27 33 1 42 27 -1 28 34 1 44 28 -2 29 35 1 46 29 -1 36 39 1 36 41 1 37 38 1 37 46 1 40 43 1 41 45 1 42 44 1 42 45 1 45 46 1', 'C32H44O13', 636.343, 'C', 'ph47_1309_1', 791, '', '', '1', 36, NULL, NULL),
(8402, 'Esulatin  E', '', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[CH:7]=[CH:8][C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)C=CC(=O)[C@@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:48]12[C@@H:70](O[C:171]([CH3:22])=O)[C:144](=[CH2:119])[CH:137]=[CH:130][C:203](=O)[C@@:49]([CH3:23])([CH3:24])[CH:139]=[CH:131][C@@H:46]([CH3:18])[C:208](=O)[C@@:90]1(O[C:169]([CH3:21])=O)[CH2:46][C@@:87]([CH3:20])(O[C:170]([CH3:21])=O)[C@@H:79]2O[C:170]([CH3:21])=O', '39 40 H 14.38 -11.95 C:17 17.71 -10.73 C:5002 14.08 -15.56 C:3002 11.12 -14.49 C:2002 9.32 -12.36 C:15002 12.37 -6.71 C:20 17.71 -7.28 C:19 21.47 -9.46 C:18 21.86 -11.10 C:16 11.42 -9.46 O 12.89 -13.89 O 10.63 -12.10 O 9.32 -9.92 O 11.83 -8.98 O 21.74 -12.81 O 15.16 -7.29 C:7 18.17 -13.05 C:8 19.59 -13.05 C:12 18.17 -9.59 C:11 19.59 -9.59 C:1 13.39 -9.14 O 15.20 -13.36 O 12.95 -12.84 O 11.42 -11.16 O 14.24 -8.26 C:5001 14.08 -14.19 C:3001 11.56 -13.14 C:2001 10.02 -11.15 C:15001 12.86 -8.02 C:6 17.15 -12.03 C:9 20.59 -12.03 C:14 15.73 -8.57 C:13 17.15 -8.57 C:5 15.73 -12.03 C:3 13.39 -11.46 C:10 20.59 -10.61 C:2 12.54 -10.31 C:4 14.75 -11.02 C:15 14.75 -9.59 38 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 36 8 -1 36 9 -2 37 10 -1 11 26 2 12 27 2 13 28 2 14 29 2 15 31 2 16 32 2 17 18 2 17 30 1 18 31 1 19 20 2 19 33 1 20 36 1 21 37 1 21 39 1 22 26 1 34 22 -2 23 27 1 35 23 -1 24 28 1 37 24 -2 25 29 1 39 25 -1 30 34 1 31 36 1 32 33 1 32 39 1 34 38 1 35 37 1 35 38 1 38 39 1', '39 40 H 14.38 -11.95 C 17.71 -10.73 C 14.08 -15.56 C 11.12 -14.49 C 9.32 -12.36 C 12.37 -6.71 C 17.71 -7.28 C 21.47 -9.46 C 21.86 -11.10 C 11.42 -9.46 O 12.89 -13.89 O 10.63 -12.10 O 9.32 -9.92 O 11.83 -8.98 O 21.74 -12.81 O 15.16 -7.29 C 18.17 -13.05 C 19.59 -13.05 C 18.17 -9.59 C 19.59 -9.59 C 13.39 -9.14 O 15.20 -13.36 O 12.95 -12.84 O 11.42 -11.16 O 14.24 -8.26 C 14.08 -14.19 C 11.56 -13.14 C 10.02 -11.15 C 12.86 -8.02 C 17.15 -12.03 C 20.59 -12.03 C 15.73 -8.57 C 17.15 -8.57 C 15.73 -12.03 C 13.39 -11.46 C 20.59 -10.61 C 12.54 -10.31 C 14.75 -11.02 C 14.75 -9.59 38 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 36 8 -1 36 9 -2 37 10 -1 11 26 2 12 27 2 13 28 2 14 29 2 15 31 2 16 32 2 17 18 2 17 30 1 18 31 1 19 20 2 19 33 1 20 36 1 21 37 1 21 39 1 22 26 1 34 22 -2 23 27 1 35 23 -1 24 28 1 37 24 -2 25 29 1 39 25 -1 30 34 1 31 36 1 32 33 1 32 39 1 34 38 1 35 37 1 35 38 1 38 39 1', '39 40 H 14.38 -11.95 C:119 17.71 -10.73 C:22 14.08 -15.56 C:21 11.12 -14.49 C:21 9.32 -12.36 C:21 12.37 -6.71 C:18 17.71 -7.28 C:23 21.47 -9.46 C:24 21.86 -11.10 C:20 11.42 -9.46 O 12.89 -13.89 O 10.63 -12.10 O 9.32 -9.92 O 11.83 -8.98 O 21.74 -12.81 O 15.16 -7.29 C:137 18.17 -13.05 C:130 19.59 -13.05 C:131 18.17 -9.59 C:139 19.59 -9.59 C:46 13.39 -9.14 O 15.20 -13.36 O 12.95 -12.84 O 11.42 -11.16 O 14.24 -8.26 C:171 14.08 -14.19 C:170 11.56 -13.14 C:170 10.02 -11.15 C:169 12.86 -8.02 C:144 17.15 -12.03 C:203 20.59 -12.03 C:208 15.73 -8.57 C:46 17.15 -8.57 C:70 15.73 -12.03 C:79 13.39 -11.46 C:49 20.59 -10.61 C:87 12.54 -10.31 C:48 14.75 -11.02 C:90 14.75 -9.59 38 1 -2 2 30 2 3 26 1 4 27 1 5 28 1 6 29 1 33 7 -2 36 8 -1 36 9 -2 37 10 -1 11 26 2 12 27 2 13 28 2 14 29 2 15 31 2 16 32 2 17 18 2 17 30 1 18 31 1 19 20 2 19 33 1 20 36 1 21 37 1 21 39 1 22 26 1 34 22 -2 23 27 1 35 23 -1 24 28 1 37 24 -2 25 29 1 39 25 -1 30 34 1 31 36 1 32 33 1 32 39 1 34 38 1 35 37 1 35 38 1 38 39 1', 'C28H36O10', 532.302, 'C', 'ph47_1309_2', 791, '', '', '1', 36, NULL, NULL),
(8403, '', '(2R*,3 R*,4S*,5R*,7R*,9R*, 13R*, 15R*)-2,3,5,7, 15-Pentaacetoxy-9-nicotinoyloxy-14-oxojatropha-6(1), 11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[CH2:8][C@@H:9](O[C:9001](=O)[c:9002]1[cH:9006][cH:9005][cH:9004]n[cH:9003]1)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)C[C@@H](OC(=O)c1cccnc1)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]3OC(C)=O', '[H][C@@:49]23[C@@H:69](O[C:170]([CH3:21])=O)[C:146](=[CH2:111])[C@H:68](O[C:169]([CH3:21])=O)[CH2:35][C@@H:76](O[C:164](=O)[c:126]1[cH:137][cH:123][cH:154]n[cH:151]1)[C@:41]([CH3:27])([CH3:22])[CH:139]=[CH:131][C@@H:44]([CH3:20])[C:211](=O)[C@@:93]2(O[C:169]([CH3:21])=O)[CH2:47][C@@:87]([CH3:18])(O[C:171]([CH3:22])=O)[C@@H:78]3O[C:170]([CH3:21])=O', '51 53 H 12.04 -11.34 C:17 15.37 -10.12 C:7002 15.16 -16.16 C:5002 11.74 -14.95 C:3002 8.78 -13.88 C:2002 6.97 -11.75 C:15002 10.03 -6.10 C:20 15.37 -6.67 C:18 19.52 -10.49 C:19 19.13 -8.86 C:16 9.08 -8.86 O 17.31 -14.98 O 10.55 -13.28 O 8.29 -11.49 O 6.97 -9.32 O 9.49 -8.38 O 20.93 -10.34 O 12.82 -6.68 C:12 15.83 -8.99 C:11 17.25 -8.99 C:9005 23.00 -14.69 C:9004 24.22 -13.98 C:9006 21.78 -14.00 C:9003 22.98 -11.89 C:8 17.25 -12.44 C:1 11.05 -8.54 N 24.21 -12.58 O 15.28 -13.76 O 12.86 -12.75 O 10.61 -12.23 O 19.40 -12.20 O 9.08 -10.55 O 11.90 -7.65 C:7001 15.92 -14.98 C:5001 11.74 -13.58 C:3001 9.22 -12.53 C:2001 7.67 -10.54 C:15001 10.52 -7.41 C:6 14.81 -11.42 C:9001 20.70 -11.72 C:14 13.39 -7.97 C:9002 21.77 -12.60 C:13 14.81 -7.97 C:7 15.83 -12.44 C:9 18.25 -11.42 C:5 13.39 -11.42 C:3 11.05 -10.85 C:10 18.25 -10.00 C:2 10.20 -9.70 C:4 12.41 -10.41 C:15 12.41 -8.99 50 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -2 48 9 -2 48 10 -1 49 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 20 2 19 43 1 20 48 1 21 22 1 21 23 2 22 27 2 23 42 1 24 27 1 24 42 2 25 44 1 25 45 1 26 49 1 26 51 1 28 34 1 44 28 -1 29 35 1 46 29 -2 30 36 1 47 30 -1 31 40 1 45 31 -2 32 37 1 49 32 -2 33 38 1 51 33 -1 39 44 1 39 46 1 40 42 1 41 43 1 41 51 1 45 48 1 46 50 1 47 49 1 47 50 1 50 51 1', '51 53 H 12.04 -11.34 C 15.37 -10.12 C 15.16 -16.16 C 11.74 -14.95 C 8.78 -13.88 C 6.97 -11.75 C 10.03 -6.10 C 15.37 -6.67 C 19.52 -10.49 C 19.13 -8.86 C 9.08 -8.86 O 17.31 -14.98 O 10.55 -13.28 O 8.29 -11.49 O 6.97 -9.32 O 9.49 -8.38 O 20.93 -10.34 O 12.82 -6.68 C 15.83 -8.99 C 17.25 -8.99 C 23.00 -14.69 C 24.22 -13.98 C 21.78 -14.00 C 22.98 -11.89 C 17.25 -12.44 C 11.05 -8.54 N 24.21 -12.58 O 15.28 -13.76 O 12.86 -12.75 O 10.61 -12.23 O 19.40 -12.20 O 9.08 -10.55 O 11.90 -7.65 C 15.92 -14.98 C 11.74 -13.58 C 9.22 -12.53 C 7.67 -10.54 C 10.52 -7.41 C 14.81 -11.42 C 20.70 -11.72 C 13.39 -7.97 C 21.77 -12.60 C 14.81 -7.97 C 15.83 -12.44 C 18.25 -11.42 C 13.39 -11.42 C 11.05 -10.85 C 18.25 -10.00 C 10.20 -9.70 C 12.41 -10.41 C 12.41 -8.99 50 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -2 48 9 -2 48 10 -1 49 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 20 2 19 43 1 20 48 1 21 22 1 21 23 2 22 27 2 23 42 1 24 27 1 24 42 2 25 44 1 25 45 1 26 49 1 26 51 1 28 34 1 44 28 -1 29 35 1 46 29 -2 30 36 1 47 30 -1 31 40 1 45 31 -2 32 37 1 49 32 -2 33 38 1 51 33 -1 39 44 1 39 46 1 40 42 1 41 43 1 41 51 1 45 48 1 46 50 1 47 49 1 47 50 1 50 51 1', '51 53 H 12.04 -11.34 C:111 15.37 -10.12 C:21 15.16 -16.16 C:21 11.74 -14.95 C:21 8.78 -13.88 C:22 6.97 -11.75 C:21 10.03 -6.10 C:20 15.37 -6.67 C:27 19.52 -10.49 C:22 19.13 -8.86 C:18 9.08 -8.86 O 17.31 -14.98 O 10.55 -13.28 O 8.29 -11.49 O 6.97 -9.32 O 9.49 -8.38 O 20.93 -10.34 O 12.82 -6.68 C:131 15.83 -8.99 C:139 17.25 -8.99 C:123 23.00 -14.69 C:154 24.22 -13.98 C:137 21.78 -14.00 C:151 22.98 -11.89 C:35 17.25 -12.44 C:47 11.05 -8.54 N 24.21 -12.58 O 15.28 -13.76 O 12.86 -12.75 O 10.61 -12.23 O 19.40 -12.20 O 9.08 -10.55 O 11.90 -7.65 C:169 15.92 -14.98 C:170 11.74 -13.58 C:170 9.22 -12.53 C:171 7.67 -10.54 C:169 10.52 -7.41 C:146 14.81 -11.42 C:164 20.70 -11.72 C:211 13.39 -7.97 C:126 21.77 -12.60 C:44 14.81 -7.97 C:68 15.83 -12.44 C:76 18.25 -11.42 C:69 13.39 -11.42 C:78 11.05 -10.85 C:41 18.25 -10.00 C:87 10.20 -9.70 C:49 12.41 -10.41 C:93 12.41 -8.99 50 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -2 48 9 -2 48 10 -1 49 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 20 2 19 43 1 20 48 1 21 22 1 21 23 2 22 27 2 23 42 1 24 27 1 24 42 2 25 44 1 25 45 1 26 49 1 26 51 1 28 34 1 44 28 -1 29 35 1 46 29 -2 30 36 1 47 30 -1 31 40 1 45 31 -2 32 37 1 49 32 -2 33 38 1 51 33 -1 39 44 1 39 46 1 40 42 1 41 43 1 41 51 1 45 48 1 46 50 1 47 49 1 47 50 1 50 51 1', 'C36H45NO13', 699.392, 'C', 'ph47_1601_1', 1001, '', '', '1', 36, NULL, NULL),
(8404, '', '2, 5,7,8,9,14-Hexaacetoxy-3-benzoyloxy- 15-hydroxy-jatropha-6(17), 11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O[C:8001]([CH3:8002])=O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@H:13]([CH3:20])[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C)C=C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)C[C@@](C)(OC(C)=O)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:45]12[C@@H:72](O[C:170]([CH3:22])=O)[C:143](=[CH2:110])[C@H:68](O[C:170]([CH3:21])=O)[C@@H:71](O[C:170]([CH3:21])=O)[C@@H:80](O[C:169]([CH3:21])=O)[C@@:41]([CH3:26])([CH3:27])[CH:134]=[CH:131][C@H:37]([CH3:24])[C@H:79](O[C:168]([CH3:21])=O)[C@@:84]1(O)[CH2:50][C@@:88]([CH3:24])(O[C:171]([CH3:22])=O)[C@@H:81]2O[C:165](=O)[c:130]3[cH:130][cH:128][cH:133][cH:128][cH:130]3', '55 57 H 13.22 -12.08 C:17 16.57 -10.86 C:7002 16.36 -16.91 C:5002 12.92 -15.70 C:8002 20.87 -16.00 C:14002 14.28 -5.02 C:9002 22.99 -13.34 C:2002 8.17 -12.49 C:20 16.57 -7.42 C:19 20.35 -9.60 C:18 20.74 -11.23 C:16 10.27 -9.61 O 18.52 -15.73 O 11.73 -14.03 O 21.24 -13.64 O 16.23 -6.45 O 22.36 -11.08 O 8.17 -10.07 O 9.58 -12.14 O 13.08 -8.40 C:12 17.03 -9.73 C:11 18.46 -9.73 C:3005 9.11 -17.28 C:3006 8.17 -16.24 C:3004 10.48 -16.99 C:3007 8.60 -14.92 C:3003 10.90 -15.66 C:1 12.23 -9.28 O 16.48 -14.51 O 14.04 -13.49 O 19.00 -14.51 O 14.01 -7.43 O 20.62 -12.94 O 11.79 -12.97 O 10.27 -11.28 C:7001 17.12 -15.73 C:5001 12.92 -14.33 C:8001 20.38 -14.73 C:14001 14.84 -6.30 C:9001 21.92 -12.46 C:2001 8.87 -11.28 C:6 16.01 -12.16 C:3001 10.41 -13.27 C:3002 9.97 -14.63 C:13 16.01 -8.71 C:7 17.03 -13.18 C:5 14.57 -12.16 C:8 18.46 -13.18 C:14 14.57 -8.71 C:9 19.47 -12.16 C:3 12.23 -11.59 C:10 19.47 -10.74 C:2 11.39 -10.44 C:4 13.59 -11.15 C:15 13.59 -9.73 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 45 9 -1 52 10 -1 52 11 -2 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 55 20 -1 21 22 2 21 45 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 44 1 27 44 2 28 53 1 28 55 1 29 36 1 46 29 -1 30 37 1 47 30 -2 31 38 1 48 31 -2 32 39 1 49 32 -1 33 40 1 50 33 -2 34 43 1 51 34 -1 35 41 1 53 35 -2 42 46 1 42 47 1 43 44 1 45 49 1 46 48 1 47 54 1 48 50 1 49 55 1 50 52 1 51 53 1 51 54 1 54 55 1', '55 57 H 13.22 -12.08 C 16.57 -10.86 C 16.36 -16.91 C 12.92 -15.70 C 20.87 -16.00 C 14.28 -5.02 C 22.99 -13.34 C 8.17 -12.49 C 16.57 -7.42 C 20.35 -9.60 C 20.74 -11.23 C 10.27 -9.61 O 18.52 -15.73 O 11.73 -14.03 O 21.24 -13.64 O 16.23 -6.45 O 22.36 -11.08 O 8.17 -10.07 O 9.58 -12.14 O 13.08 -8.40 C 17.03 -9.73 C 18.46 -9.73 C 9.11 -17.28 C 8.17 -16.24 C 10.48 -16.99 C 8.60 -14.92 C 10.90 -15.66 C 12.23 -9.28 O 16.48 -14.51 O 14.04 -13.49 O 19.00 -14.51 O 14.01 -7.43 O 20.62 -12.94 O 11.79 -12.97 O 10.27 -11.28 C 17.12 -15.73 C 12.92 -14.33 C 20.38 -14.73 C 14.84 -6.30 C 21.92 -12.46 C 8.87 -11.28 C 16.01 -12.16 C 10.41 -13.27 C 9.97 -14.63 C 16.01 -8.71 C 17.03 -13.18 C 14.57 -12.16 C 18.46 -13.18 C 14.57 -8.71 C 19.47 -12.16 C 12.23 -11.59 C 19.47 -10.74 C 11.39 -10.44 C 13.59 -11.15 C 13.59 -9.73 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 45 9 -1 52 10 -1 52 11 -2 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 55 20 -1 21 22 2 21 45 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 44 1 27 44 2 28 53 1 28 55 1 29 36 1 46 29 -1 30 37 1 47 30 -2 31 38 1 48 31 -2 32 39 1 49 32 -1 33 40 1 50 33 -2 34 43 1 51 34 -1 35 41 1 53 35 -2 42 46 1 42 47 1 43 44 1 45 49 1 46 48 1 47 54 1 48 50 1 49 55 1 50 52 1 51 53 1 51 54 1 54 55 1', '55 57 H 13.22 -12.08 C:110 16.57 -10.86 C:21 16.36 -16.91 C:22 12.92 -15.70 C:21 20.87 -16.00 C:21 14.28 -5.02 C:21 22.99 -13.34 C:22 8.17 -12.49 C:24 16.57 -7.42 C:26 20.35 -9.60 C:27 20.74 -11.23 C:24 10.27 -9.61 O 18.52 -15.73 O 11.73 -14.03 O 21.24 -13.64 O 16.23 -6.45 O 22.36 -11.08 O 8.17 -10.07 O 9.58 -12.14 O 13.08 -8.40 C:131 17.03 -9.73 C:134 18.46 -9.73 C:133 9.11 -17.28 C:128 8.17 -16.24 C:128 10.48 -16.99 C:130 8.60 -14.92 C:130 10.90 -15.66 C:50 12.23 -9.28 O 16.48 -14.51 O 14.04 -13.49 O 19.00 -14.51 O 14.01 -7.43 O 20.62 -12.94 O 11.79 -12.97 O 10.27 -11.28 C:170 17.12 -15.73 C:170 12.92 -14.33 C:170 20.38 -14.73 C:168 14.84 -6.30 C:169 21.92 -12.46 C:171 8.87 -11.28 C:143 16.01 -12.16 C:165 10.41 -13.27 C:130 9.97 -14.63 C:37 16.01 -8.71 C:68 17.03 -13.18 C:72 14.57 -12.16 C:71 18.46 -13.18 C:79 14.57 -8.71 C:80 19.47 -12.16 C:81 12.23 -11.59 C:41 19.47 -10.74 C:88 11.39 -10.44 C:45 13.59 -11.15 C:84 13.59 -9.73 54 1 -2 2 42 2 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 45 9 -1 52 10 -1 52 11 -2 53 12 -1 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 19 43 2 55 20 -1 21 22 2 21 45 1 22 52 1 23 24 1 23 25 2 24 26 2 25 27 1 26 44 1 27 44 2 28 53 1 28 55 1 29 36 1 46 29 -1 30 37 1 47 30 -2 31 38 1 48 31 -2 32 39 1 49 32 -1 33 40 1 50 33 -2 34 43 1 51 34 -1 35 41 1 53 35 -2 42 46 1 42 47 1 43 44 1 45 49 1 46 48 1 47 54 1 48 50 1 49 55 1 50 52 1 51 53 1 51 54 1 54 55 1', 'C39H50O15', 758.416, 'C', 'ph47_1601_2', 1001, '', '', '1', 36, NULL, NULL),
(8405, '', '(2R*,3R*,4S*,5R*,7S*,8S*,9S*,13S*,14S*,15R*)-2,5,14- Triacetoxy-3-benzoyloxy-8,15-dihydroxy-7-iso-butyroyloxy-9-nicotinoyloxyjatropha-6(17), 11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH3:7003])[C@@H:8](O)[C@@H:9](O[C:9001](=O)[c:9002]1[cH:9006][cH:9005][cH:9004]n[cH:9003]1)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]2(O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]3O[C:3001](=O)[c:3002]4[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]4', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@@H](OC(=O)c1cccnc1)[C@](C)(C)C=C[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@@H]3OC(=O)c4ccccc4', '[H][C@@:45]23[C@@H:72](O[C:170]([CH3:21])=O)[C:144](=[CH2:109])[C@H:68](O[C:174](=O)[CH:34]([CH3:17])[CH3:19])[C@@H:70](O)[C@@H:87](O[C:166](=O)[c:125]1[cH:138][cH:123][cH:154]n[cH:152]1)[C@:40]([CH3:28])([CH3:23])[CH:134]=[CH:132][C@H:38]([CH3:24])[C@H:79](O[C:169]([CH3:21])=O)[C@@:84]2(O)[CH2:50][C@@:89]([CH3:24])(O[C:171]([CH3:23])=O)[C@@H:81]3O[C:165](=O)[c:130]4[cH:130][cH:128][cH:133][cH:128][cH:130]4', '59 62 H 12.01 -11.66 C:17 15.37 -10.44 C:5002 11.71 -15.29 C:14002 13.07 -4.62 C:2002 6.97 -12.07 C:7201 15.83 -17.72 C:7003 13.76 -16.49 C:20 15.37 -7.01 C:18 19.52 -10.81 C:19 19.13 -9.18 C:16 9.06 -9.19 O 10.52 -13.61 O 15.03 -6.04 O 6.97 -9.65 O 8.37 -11.72 O 21.14 -10.66 O 17.31 -15.32 O 17.78 -14.10 O 11.87 -7.98 C:12 15.83 -9.31 C:11 17.25 -9.31 C:3005 7.90 -16.86 C:3004 9.27 -16.57 C:3006 6.97 -15.83 C:9005 22.97 -15.03 C:9004 24.18 -14.33 C:3003 9.69 -15.25 C:3007 7.40 -14.51 C:9006 21.77 -14.33 C:9003 22.97 -12.22 C:1 11.02 -8.86 N 24.18 -12.92 O 12.83 -13.07 O 12.80 -7.02 O 19.40 -12.52 O 15.28 -14.10 O 10.58 -12.55 O 9.06 -10.86 C:5001 11.71 -13.92 C:14001 13.63 -5.89 C:2001 7.66 -10.86 C:6 14.81 -11.74 C:3001 9.20 -12.85 C:9001 20.70 -12.04 C:7001 15.92 -15.32 C:3002 8.76 -14.22 C:9002 21.77 -12.92 C:7002 15.16 -16.49 C:13 14.81 -8.29 C:8 17.25 -12.76 C:7 15.83 -12.76 C:5 13.36 -11.74 C:9 18.25 -11.74 C:14 13.36 -8.29 C:3 11.02 -11.17 C:10 18.25 -10.32 C:2 10.18 -10.02 C:4 12.38 -10.73 C:15 12.38 -9.31 58 1 -2 2 42 2 3 39 1 4 40 1 5 41 1 6 48 1 7 48 1 49 8 -1 56 9 -2 56 10 -1 57 11 -1 12 39 2 13 40 2 14 41 2 15 43 2 16 44 2 17 45 2 50 18 -2 59 19 -1 20 21 2 20 49 1 21 56 1 22 23 2 22 24 1 23 27 1 24 28 2 25 26 1 25 29 2 26 32 2 27 46 2 28 46 1 29 47 1 30 32 1 30 47 2 31 57 1 31 59 1 33 39 1 52 33 -2 34 40 1 54 34 -1 35 44 1 53 35 -2 36 45 1 51 36 -1 37 43 1 55 37 -1 38 41 1 57 38 -2 42 51 1 42 52 1 43 46 1 44 47 1 45 48 1 49 54 1 50 51 1 50 53 1 52 58 1 53 56 1 54 59 1 55 57 1 55 58 1 58 59 1', '59 62 H 12.01 -11.66 C 15.37 -10.44 C 11.71 -15.29 C 13.07 -4.62 C 6.97 -12.07 C 15.83 -17.72 C 13.76 -16.49 C 15.37 -7.01 C 19.52 -10.81 C 19.13 -9.18 C 9.06 -9.19 O 10.52 -13.61 O 15.03 -6.04 O 6.97 -9.65 O 8.37 -11.72 O 21.14 -10.66 O 17.31 -15.32 O 17.78 -14.10 O 11.87 -7.98 C 15.83 -9.31 C 17.25 -9.31 C 7.90 -16.86 C 9.27 -16.57 C 6.97 -15.83 C 22.97 -15.03 C 24.18 -14.33 C 9.69 -15.25 C 7.40 -14.51 C 21.77 -14.33 C 22.97 -12.22 C 11.02 -8.86 N 24.18 -12.92 O 12.83 -13.07 O 12.80 -7.02 O 19.40 -12.52 O 15.28 -14.10 O 10.58 -12.55 O 9.06 -10.86 C 11.71 -13.92 C 13.63 -5.89 C 7.66 -10.86 C 14.81 -11.74 C 9.20 -12.85 C 20.70 -12.04 C 15.92 -15.32 C 8.76 -14.22 C 21.77 -12.92 C 15.16 -16.49 C 14.81 -8.29 C 17.25 -12.76 C 15.83 -12.76 C 13.36 -11.74 C 18.25 -11.74 C 13.36 -8.29 C 11.02 -11.17 C 18.25 -10.32 C 10.18 -10.02 C 12.38 -10.73 C 12.38 -9.31 58 1 -2 2 42 2 3 39 1 4 40 1 5 41 1 6 48 1 7 48 1 49 8 -1 56 9 -2 56 10 -1 57 11 -1 12 39 2 13 40 2 14 41 2 15 43 2 16 44 2 17 45 2 50 18 -2 59 19 -1 20 21 2 20 49 1 21 56 1 22 23 2 22 24 1 23 27 1 24 28 2 25 26 1 25 29 2 26 32 2 27 46 2 28 46 1 29 47 1 30 32 1 30 47 2 31 57 1 31 59 1 33 39 1 52 33 -2 34 40 1 54 34 -1 35 44 1 53 35 -2 36 45 1 51 36 -1 37 43 1 55 37 -1 38 41 1 57 38 -2 42 51 1 42 52 1 43 46 1 44 47 1 45 48 1 49 54 1 50 51 1 50 53 1 52 58 1 53 56 1 54 59 1 55 57 1 55 58 1 58 59 1', '59 62 H 12.01 -11.66 C:109 15.37 -10.44 C:21 11.71 -15.29 C:21 13.07 -4.62 C:23 6.97 -12.07 C:17 15.83 -17.72 C:19 13.76 -16.49 C:24 15.37 -7.01 C:28 19.52 -10.81 C:23 19.13 -9.18 C:24 9.06 -9.19 O 10.52 -13.61 O 15.03 -6.04 O 6.97 -9.65 O 8.37 -11.72 O 21.14 -10.66 O 17.31 -15.32 O 17.78 -14.10 O 11.87 -7.98 C:132 15.83 -9.31 C:134 17.25 -9.31 C:133 7.90 -16.86 C:128 9.27 -16.57 C:128 6.97 -15.83 C:123 22.97 -15.03 C:154 24.18 -14.33 C:130 9.69 -15.25 C:130 7.40 -14.51 C:138 21.77 -14.33 C:152 22.97 -12.22 C:50 11.02 -8.86 N 24.18 -12.92 O 12.83 -13.07 O 12.80 -7.02 O 19.40 -12.52 O 15.28 -14.10 O 10.58 -12.55 O 9.06 -10.86 C:170 11.71 -13.92 C:169 13.63 -5.89 C:171 7.66 -10.86 C:144 14.81 -11.74 C:165 9.20 -12.85 C:166 20.70 -12.04 C:174 15.92 -15.32 C:130 8.76 -14.22 C:125 21.77 -12.92 C:34 15.16 -16.49 C:38 14.81 -8.29 C:70 17.25 -12.76 C:68 15.83 -12.76 C:72 13.36 -11.74 C:87 18.25 -11.74 C:79 13.36 -8.29 C:81 11.02 -11.17 C:40 18.25 -10.32 C:89 10.18 -10.02 C:45 12.38 -10.73 C:84 12.38 -9.31 58 1 -2 2 42 2 3 39 1 4 40 1 5 41 1 6 48 1 7 48 1 49 8 -1 56 9 -2 56 10 -1 57 11 -1 12 39 2 13 40 2 14 41 2 15 43 2 16 44 2 17 45 2 50 18 -2 59 19 -1 20 21 2 20 49 1 21 56 1 22 23 2 22 24 1 23 27 1 24 28 2 25 26 1 25 29 2 26 32 2 27 46 2 28 46 1 29 47 1 30 32 1 30 47 2 31 57 1 31 59 1 33 39 1 52 33 -2 34 40 1 54 34 -1 35 44 1 53 35 -2 36 45 1 51 36 -1 37 43 1 55 37 -1 38 41 1 57 38 -2 42 51 1 42 52 1 43 46 1 44 47 1 45 48 1 49 54 1 50 51 1 50 53 1 52 58 1 53 56 1 54 59 1 55 57 1 55 58 1 58 59 1', 'C43H53NO14', 807.466, 'C', 'ph47_1601_3', 1001, '', '', '1', 36, NULL, NULL),
(8406, '', '(2R*,3R*,4S*,5R*,7S*,8S*,9S*,13S*,14S*,15R*)-2,5,9,14-Tetraacetoxy 3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxyjatropha-6(17),11E-diene ', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001](=O)[CH:7002]([CH3:7201])[CH3:7003])[C@@H:8](O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@@H](OC(C)=O)[C@](C)(C)C=C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)C[C@@](C)(OC(C)=O)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:45]12[C@@H:72](O[C:171]([CH3:21])=O)[C:144](=[CH2:109])[C@H:68](O[C:175](=O)[CH:34]([CH3:18])[CH3:19])[C@@H:70](O)[C@@H:86](O[C:170]([CH3:21])=O)[C@:40]([CH3:27])([CH3:23])[CH:134]=[CH:131][C@H:38]([CH3:24])[C@H:79](O[C:168]([CH3:21])=O)[C@@:84]1(O)[CH2:50][C@@:88]([CH3:23])(O[C:172]([CH3:22])=O)[C@@H:80]2O[C:165](=O)[c:130]3[cH:130][cH:128][cH:133][cH:128][cH:130]3', '54 56 H 13.21 -11.63 C:17 16.57 -10.42 C:5002 12.91 -15.25 C:9002 22.99 -12.88 C:14002 14.27 -4.57 C:2002 8.17 -12.04 C:7201 17.03 -17.68 C:7003 14.95 -16.47 C:20 16.57 -6.97 C:18 20.74 -10.78 C:19 20.35 -9.16 C:16 10.27 -9.17 O 11.72 -13.57 O 22.36 -10.64 O 16.23 -5.99 O 8.17 -9.63 O 9.58 -11.69 O 18.52 -15.28 O 18.99 -14.05 O 13.07 -7.95 C:12 17.03 -9.29 C:11 18.46 -9.29 C:3005 9.12 -16.83 C:3004 10.48 -16.54 C:3006 8.17 -15.79 C:3003 10.90 -15.21 C:3007 8.60 -14.46 C:1 12.22 -8.83 O 14.03 -13.03 O 20.62 -12.48 O 14.00 -6.98 O 16.48 -14.05 O 11.78 -12.51 O 10.27 -10.83 C:5001 12.91 -13.87 C:9001 21.92 -12.01 C:14001 14.83 -5.84 C:2001 8.87 -10.83 C:6 16.01 -11.71 C:3001 10.41 -12.81 C:7001 17.12 -15.28 C:3002 9.97 -14.17 C:7002 16.36 -16.46 C:13 16.01 -8.26 C:8 18.46 -12.72 C:7 17.03 -12.72 C:5 14.56 -11.71 C:9 19.46 -11.71 C:14 14.56 -8.26 C:3 12.22 -11.14 C:10 19.46 -10.30 C:2 11.38 -10.00 C:4 13.58 -10.70 C:15 13.58 -9.29 53 1 -2 2 39 2 3 35 1 4 36 1 5 37 1 6 38 1 7 43 1 8 43 1 44 9 -1 51 10 -2 51 11 -1 52 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 45 19 -2 54 20 -1 21 22 2 21 44 1 22 51 1 23 24 2 23 25 1 24 26 1 25 27 2 26 42 2 27 42 1 28 52 1 28 54 1 29 35 1 47 29 -2 30 36 1 48 30 -2 31 37 1 49 31 -1 32 41 1 46 32 -1 33 40 1 50 33 -1 34 38 1 52 34 -2 39 46 1 39 47 1 40 42 1 41 43 1 44 49 1 45 46 1 45 48 1 47 53 1 48 51 1 49 54 1 50 52 1 50 53 1 53 54 1', '54 56 H 13.21 -11.63 C 16.57 -10.42 C 12.91 -15.25 C 22.99 -12.88 C 14.27 -4.57 C 8.17 -12.04 C 17.03 -17.68 C 14.95 -16.47 C 16.57 -6.97 C 20.74 -10.78 C 20.35 -9.16 C 10.27 -9.17 O 11.72 -13.57 O 22.36 -10.64 O 16.23 -5.99 O 8.17 -9.63 O 9.58 -11.69 O 18.52 -15.28 O 18.99 -14.05 O 13.07 -7.95 C 17.03 -9.29 C 18.46 -9.29 C 9.12 -16.83 C 10.48 -16.54 C 8.17 -15.79 C 10.90 -15.21 C 8.60 -14.46 C 12.22 -8.83 O 14.03 -13.03 O 20.62 -12.48 O 14.00 -6.98 O 16.48 -14.05 O 11.78 -12.51 O 10.27 -10.83 C 12.91 -13.87 C 21.92 -12.01 C 14.83 -5.84 C 8.87 -10.83 C 16.01 -11.71 C 10.41 -12.81 C 17.12 -15.28 C 9.97 -14.17 C 16.36 -16.46 C 16.01 -8.26 C 18.46 -12.72 C 17.03 -12.72 C 14.56 -11.71 C 19.46 -11.71 C 14.56 -8.26 C 12.22 -11.14 C 19.46 -10.30 C 11.38 -10.00 C 13.58 -10.70 C 13.58 -9.29 53 1 -2 2 39 2 3 35 1 4 36 1 5 37 1 6 38 1 7 43 1 8 43 1 44 9 -1 51 10 -2 51 11 -1 52 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 45 19 -2 54 20 -1 21 22 2 21 44 1 22 51 1 23 24 2 23 25 1 24 26 1 25 27 2 26 42 2 27 42 1 28 52 1 28 54 1 29 35 1 47 29 -2 30 36 1 48 30 -2 31 37 1 49 31 -1 32 41 1 46 32 -1 33 40 1 50 33 -1 34 38 1 52 34 -2 39 46 1 39 47 1 40 42 1 41 43 1 44 49 1 45 46 1 45 48 1 47 53 1 48 51 1 49 54 1 50 52 1 50 53 1 53 54 1', '54 56 H 13.21 -11.63 C:109 16.57 -10.42 C:21 12.91 -15.25 C:21 22.99 -12.88 C:21 14.27 -4.57 C:22 8.17 -12.04 C:18 17.03 -17.68 C:19 14.95 -16.47 C:24 16.57 -6.97 C:27 20.74 -10.78 C:23 20.35 -9.16 C:23 10.27 -9.17 O 11.72 -13.57 O 22.36 -10.64 O 16.23 -5.99 O 8.17 -9.63 O 9.58 -11.69 O 18.52 -15.28 O 18.99 -14.05 O 13.07 -7.95 C:131 17.03 -9.29 C:134 18.46 -9.29 C:133 9.12 -16.83 C:128 10.48 -16.54 C:128 8.17 -15.79 C:130 10.90 -15.21 C:130 8.60 -14.46 C:50 12.22 -8.83 O 14.03 -13.03 O 20.62 -12.48 O 14.00 -6.98 O 16.48 -14.05 O 11.78 -12.51 O 10.27 -10.83 C:171 12.91 -13.87 C:170 21.92 -12.01 C:168 14.83 -5.84 C:172 8.87 -10.83 C:144 16.01 -11.71 C:165 10.41 -12.81 C:175 17.12 -15.28 C:130 9.97 -14.17 C:34 16.36 -16.46 C:38 16.01 -8.26 C:70 18.46 -12.72 C:68 17.03 -12.72 C:72 14.56 -11.71 C:86 19.46 -11.71 C:79 14.56 -8.26 C:80 12.22 -11.14 C:40 19.46 -10.30 C:88 11.38 -10.00 C:45 13.58 -10.70 C:84 13.58 -9.29 53 1 -2 2 39 2 3 35 1 4 36 1 5 37 1 6 38 1 7 43 1 8 43 1 44 9 -1 51 10 -2 51 11 -1 52 12 -1 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 45 19 -2 54 20 -1 21 22 2 21 44 1 22 51 1 23 24 2 23 25 1 24 26 1 25 27 2 26 42 2 27 42 1 28 52 1 28 54 1 29 35 1 47 29 -2 30 36 1 48 30 -2 31 37 1 49 31 -1 32 41 1 46 32 -1 33 40 1 50 33 -1 34 38 1 52 34 -2 39 46 1 39 47 1 40 42 1 41 43 1 44 49 1 45 46 1 45 48 1 47 53 1 48 51 1 49 54 1 50 52 1 50 53 1 53 54 1', 'C39H52O14', 744.417, 'C', 'ph47_1601_4', 1001, '', '', '1', 36, NULL, NULL),
(8407, '', '2, 5,7,14- Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-9-nicotinoyloxyjatropha-6(17),11E-diene ', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O)[C@@H:9](O[C:9001](=O)[c:9002]1[cH:9006][cH:9005][cH:9004]n[cH:9003]1)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]2(O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]3O[C:3001](=O)[c:3002]4[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]4', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](O)[C@@H](OC(=O)c1cccnc1)[C@](C)(C)C=C[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@@H]3OC(=O)c4ccccc4', '[H][C@@:45]23[C@@H:72](O[C:170]([CH3:21])=O)[C:143](=[CH2:109])[C@H:69](O[C:169]([CH3:21])=O)[C@@H:70](O)[C@@H:86](O[C:166](=O)[c:125]1[cH:137][cH:123][cH:154]n[cH:151]1)[C@:40]([CH3:27])([CH3:23])[CH:134]=[CH:132][C@H:38]([CH3:24])[C@H:79](O[C:168]([CH3:20])=O)[C@@:84]2(O)[CH2:49][C@@:89]([CH3:24])(O[C:171]([CH3:23])=O)[C@@H:81]3O[C:165](=O)[c:130]4[cH:130][cH:128][cH:133][cH:128][cH:130]4', '57 60 H 12.02 -12.06 C:17 15.38 -10.84 C:7002 15.17 -16.89 C:5002 11.72 -15.69 C:14002 13.08 -5.01 C:2002 6.97 -12.47 C:20 15.38 -7.40 C:18 19.53 -11.21 C:19 19.14 -9.58 C:16 9.07 -9.59 O 17.32 -15.72 O 10.53 -14.01 O 15.04 -6.43 O 6.97 -10.05 O 21.15 -11.06 O 8.38 -12.12 O 17.79 -14.50 O 11.88 -8.38 C:12 15.84 -9.71 C:11 17.26 -9.71 C:3005 7.91 -17.26 C:3004 9.28 -16.97 C:3006 6.97 -16.23 C:9005 22.99 -15.43 C:9004 24.20 -14.73 C:3003 9.70 -15.65 C:3007 7.40 -14.91 C:9006 21.78 -14.73 C:9003 22.99 -12.62 C:1 11.03 -9.26 N 24.20 -13.32 O 15.29 -14.50 O 12.84 -13.47 O 12.81 -7.41 O 19.41 -12.92 O 10.59 -12.95 O 9.07 -11.26 C:7001 15.93 -15.72 C:5001 11.72 -14.32 C:14001 13.64 -6.28 C:2001 7.67 -11.26 C:6 14.82 -12.14 C:9001 20.71 -12.44 C:3001 9.21 -13.25 C:3002 8.77 -14.62 C:9002 21.78 -13.32 C:13 14.82 -8.69 C:8 17.26 -13.16 C:7 15.84 -13.16 C:5 13.37 -12.14 C:9 18.26 -12.14 C:14 13.37 -8.69 C:3 11.03 -11.57 C:10 18.26 -10.72 C:2 10.19 -10.42 C:4 12.39 -11.13 C:15 12.39 -9.71 56 1 -2 2 42 2 3 38 1 4 39 1 5 40 1 6 41 1 47 7 -1 54 8 -2 54 9 -1 55 10 -1 11 38 2 12 39 2 13 40 2 14 41 2 15 43 2 16 44 2 48 17 -2 57 18 -1 19 20 2 19 47 1 20 54 1 21 22 2 21 23 1 22 26 1 23 27 2 24 25 1 24 28 2 25 31 2 26 45 2 27 45 1 28 46 1 29 31 1 29 46 2 30 55 1 30 57 1 32 38 1 49 32 -1 33 39 1 50 33 -2 34 40 1 52 34 -1 35 43 1 51 35 -2 36 44 1 53 36 -1 37 41 1 55 37 -2 42 49 1 42 50 1 43 46 1 44 45 1 47 52 1 48 49 1 48 51 1 50 56 1 51 54 1 52 57 1 53 55 1 53 56 1 56 57 1', '57 60 H 12.02 -12.06 C 15.38 -10.84 C 15.17 -16.89 C 11.72 -15.69 C 13.08 -5.01 C 6.97 -12.47 C 15.38 -7.40 C 19.53 -11.21 C 19.14 -9.58 C 9.07 -9.59 O 17.32 -15.72 O 10.53 -14.01 O 15.04 -6.43 O 6.97 -10.05 O 21.15 -11.06 O 8.38 -12.12 O 17.79 -14.50 O 11.88 -8.38 C 15.84 -9.71 C 17.26 -9.71 C 7.91 -17.26 C 9.28 -16.97 C 6.97 -16.23 C 22.99 -15.43 C 24.20 -14.73 C 9.70 -15.65 C 7.40 -14.91 C 21.78 -14.73 C 22.99 -12.62 C 11.03 -9.26 N 24.20 -13.32 O 15.29 -14.50 O 12.84 -13.47 O 12.81 -7.41 O 19.41 -12.92 O 10.59 -12.95 O 9.07 -11.26 C 15.93 -15.72 C 11.72 -14.32 C 13.64 -6.28 C 7.67 -11.26 C 14.82 -12.14 C 20.71 -12.44 C 9.21 -13.25 C 8.77 -14.62 C 21.78 -13.32 C 14.82 -8.69 C 17.26 -13.16 C 15.84 -13.16 C 13.37 -12.14 C 18.26 -12.14 C 13.37 -8.69 C 11.03 -11.57 C 18.26 -10.72 C 10.19 -10.42 C 12.39 -11.13 C 12.39 -9.71 56 1 -2 2 42 2 3 38 1 4 39 1 5 40 1 6 41 1 47 7 -1 54 8 -2 54 9 -1 55 10 -1 11 38 2 12 39 2 13 40 2 14 41 2 15 43 2 16 44 2 48 17 -2 57 18 -1 19 20 2 19 47 1 20 54 1 21 22 2 21 23 1 22 26 1 23 27 2 24 25 1 24 28 2 25 31 2 26 45 2 27 45 1 28 46 1 29 31 1 29 46 2 30 55 1 30 57 1 32 38 1 49 32 -1 33 39 1 50 33 -2 34 40 1 52 34 -1 35 43 1 51 35 -2 36 44 1 53 36 -1 37 41 1 55 37 -2 42 49 1 42 50 1 43 46 1 44 45 1 47 52 1 48 49 1 48 51 1 50 56 1 51 54 1 52 57 1 53 55 1 53 56 1 56 57 1', '57 60 H 12.02 -12.06 C:109 15.38 -10.84 C:21 15.17 -16.89 C:21 11.72 -15.69 C:20 13.08 -5.01 C:23 6.97 -12.47 C:24 15.38 -7.40 C:27 19.53 -11.21 C:23 19.14 -9.58 C:24 9.07 -9.59 O 17.32 -15.72 O 10.53 -14.01 O 15.04 -6.43 O 6.97 -10.05 O 21.15 -11.06 O 8.38 -12.12 O 17.79 -14.50 O 11.88 -8.38 C:132 15.84 -9.71 C:134 17.26 -9.71 C:133 7.91 -17.26 C:128 9.28 -16.97 C:128 6.97 -16.23 C:123 22.99 -15.43 C:154 24.20 -14.73 C:130 9.70 -15.65 C:130 7.40 -14.91 C:137 21.78 -14.73 C:151 22.99 -12.62 C:49 11.03 -9.26 N 24.20 -13.32 O 15.29 -14.50 O 12.84 -13.47 O 12.81 -7.41 O 19.41 -12.92 O 10.59 -12.95 O 9.07 -11.26 C:169 15.93 -15.72 C:170 11.72 -14.32 C:168 13.64 -6.28 C:171 7.67 -11.26 C:143 14.82 -12.14 C:166 20.71 -12.44 C:165 9.21 -13.25 C:130 8.77 -14.62 C:125 21.78 -13.32 C:38 14.82 -8.69 C:70 17.26 -13.16 C:69 15.84 -13.16 C:72 13.37 -12.14 C:86 18.26 -12.14 C:79 13.37 -8.69 C:81 11.03 -11.57 C:40 18.26 -10.72 C:89 10.19 -10.42 C:45 12.39 -11.13 C:84 12.39 -9.71 56 1 -2 2 42 2 3 38 1 4 39 1 5 40 1 6 41 1 47 7 -1 54 8 -2 54 9 -1 55 10 -1 11 38 2 12 39 2 13 40 2 14 41 2 15 43 2 16 44 2 48 17 -2 57 18 -1 19 20 2 19 47 1 20 54 1 21 22 2 21 23 1 22 26 1 23 27 2 24 25 1 24 28 2 25 31 2 26 45 2 27 45 1 28 46 1 29 31 1 29 46 2 30 55 1 30 57 1 32 38 1 49 32 -1 33 39 1 50 33 -2 34 40 1 52 34 -1 35 43 1 51 35 -2 36 44 1 53 36 -1 37 41 1 55 37 -2 42 49 1 42 50 1 43 46 1 44 45 1 47 52 1 48 49 1 48 51 1 50 56 1 51 54 1 52 57 1 53 55 1 53 56 1 56 57 1', 'C41H49NO14', 779.445, 'C', 'ph47_1601_5', 1001, '', '', '1', 36, NULL, NULL),
(8408, '', '(2R*,3R*,4S*,5R*,7S*,8S*,9S*,13S*,14S*,15R*)-2,5,7,9,14-Pentaacetoxy-3-benzoyloxy-8,15-dihy-droxyjatropha-6(17),11E-diene  ', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8](O)[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@H:13]([CH3:20])[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]1(O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001](=O)[c:3002]3[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]3', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](O)[C@@H](OC(C)=O)[C@](C)(C)C=C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)C[C@@](C)(OC(C)=O)[C@@H]2OC(=O)c3ccccc3', '[H][C@@:45]12[C@@H:72](O[C:171]([CH3:21])=O)[C:144](=[CH2:109])[C@H:69](O[C:170]([CH3:21])=O)[C@@H:70](O)[C@@H:86](O[C:169]([CH3:21])=O)[C@:40]([CH3:27])([CH3:23])[CH:134]=[CH:131][C@H:38]([CH3:23])[C@H:79](O[C:168]([CH3:21])=O)[C@@:84]1(O)[CH2:50][C@@:88]([CH3:24])(O[C:172]([CH3:22])=O)[C@@H:81]2O[C:165](=O)[c:130]3[cH:130][cH:128][cH:133][cH:128][cH:130]3', '52 54 H 13.21 -12.07 C:17 16.56 -10.85 C:7002 16.35 -16.90 C:5002 12.91 -15.69 C:9002 22.97 -13.33 C:14002 14.27 -5.02 C:2002 8.16 -12.48 C:20 16.56 -7.41 C:18 20.72 -11.22 C:19 20.33 -9.59 C:16 10.26 -9.60 O 18.51 -15.72 O 11.72 -14.02 O 22.34 -11.07 O 16.22 -6.44 O 8.16 -10.06 O 9.57 -12.13 O 18.98 -14.50 O 13.07 -8.39 C:12 17.02 -9.72 C:11 18.45 -9.72 C:3005 9.10 -17.27 C:3004 10.47 -16.98 C:3006 8.16 -16.23 C:3003 10.89 -15.65 C:3007 8.59 -14.91 C:1 12.22 -9.27 O 16.47 -14.50 O 14.03 -13.48 O 20.60 -12.93 O 14.00 -7.42 O 11.78 -12.96 O 10.26 -11.27 C:7001 17.11 -15.72 C:5001 12.91 -14.32 C:9001 21.90 -12.45 C:14001 14.83 -6.29 C:2001 8.86 -11.27 C:6 16.00 -12.15 C:3001 10.40 -13.26 C:3002 9.96 -14.62 C:13 16.00 -8.70 C:8 18.45 -13.17 C:7 17.02 -13.17 C:5 14.56 -12.15 C:9 19.45 -12.15 C:14 14.56 -8.70 C:3 12.22 -11.58 C:10 19.45 -10.73 C:2 11.38 -10.43 C:4 13.58 -11.14 C:15 13.58 -9.72 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 42 8 -1 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 43 18 -2 52 19 -1 20 21 2 20 42 1 21 49 1 22 23 2 22 24 1 23 25 1 24 26 2 25 41 2 26 41 1 27 50 1 27 52 1 28 34 1 44 28 -1 29 35 1 45 29 -2 30 36 1 46 30 -2 31 37 1 47 31 -1 32 40 1 48 32 -1 33 38 1 50 33 -2 39 44 1 39 45 1 40 41 1 42 47 1 43 44 1 43 46 1 45 51 1 46 49 1 47 52 1 48 50 1 48 51 1 51 52 1', '52 54 H 13.21 -12.07 C 16.56 -10.85 C 16.35 -16.90 C 12.91 -15.69 C 22.97 -13.33 C 14.27 -5.02 C 8.16 -12.48 C 16.56 -7.41 C 20.72 -11.22 C 20.33 -9.59 C 10.26 -9.60 O 18.51 -15.72 O 11.72 -14.02 O 22.34 -11.07 O 16.22 -6.44 O 8.16 -10.06 O 9.57 -12.13 O 18.98 -14.50 O 13.07 -8.39 C 17.02 -9.72 C 18.45 -9.72 C 9.10 -17.27 C 10.47 -16.98 C 8.16 -16.23 C 10.89 -15.65 C 8.59 -14.91 C 12.22 -9.27 O 16.47 -14.50 O 14.03 -13.48 O 20.60 -12.93 O 14.00 -7.42 O 11.78 -12.96 O 10.26 -11.27 C 17.11 -15.72 C 12.91 -14.32 C 21.90 -12.45 C 14.83 -6.29 C 8.86 -11.27 C 16.00 -12.15 C 10.40 -13.26 C 9.96 -14.62 C 16.00 -8.70 C 18.45 -13.17 C 17.02 -13.17 C 14.56 -12.15 C 19.45 -12.15 C 14.56 -8.70 C 12.22 -11.58 C 19.45 -10.73 C 11.38 -10.43 C 13.58 -11.14 C 13.58 -9.72 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 42 8 -1 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 43 18 -2 52 19 -1 20 21 2 20 42 1 21 49 1 22 23 2 22 24 1 23 25 1 24 26 2 25 41 2 26 41 1 27 50 1 27 52 1 28 34 1 44 28 -1 29 35 1 45 29 -2 30 36 1 46 30 -2 31 37 1 47 31 -1 32 40 1 48 32 -1 33 38 1 50 33 -2 39 44 1 39 45 1 40 41 1 42 47 1 43 44 1 43 46 1 45 51 1 46 49 1 47 52 1 48 50 1 48 51 1 51 52 1', '52 54 H 13.21 -12.07 C:109 16.56 -10.85 C:21 16.35 -16.90 C:21 12.91 -15.69 C:21 22.97 -13.33 C:21 14.27 -5.02 C:22 8.16 -12.48 C:23 16.56 -7.41 C:27 20.72 -11.22 C:23 20.33 -9.59 C:24 10.26 -9.60 O 18.51 -15.72 O 11.72 -14.02 O 22.34 -11.07 O 16.22 -6.44 O 8.16 -10.06 O 9.57 -12.13 O 18.98 -14.50 O 13.07 -8.39 C:131 17.02 -9.72 C:134 18.45 -9.72 C:133 9.10 -17.27 C:128 10.47 -16.98 C:128 8.16 -16.23 C:130 10.89 -15.65 C:130 8.59 -14.91 C:50 12.22 -9.27 O 16.47 -14.50 O 14.03 -13.48 O 20.60 -12.93 O 14.00 -7.42 O 11.78 -12.96 O 10.26 -11.27 C:170 17.11 -15.72 C:171 12.91 -14.32 C:169 21.90 -12.45 C:168 14.83 -6.29 C:172 8.86 -11.27 C:144 16.00 -12.15 C:165 10.40 -13.26 C:130 9.96 -14.62 C:38 16.00 -8.70 C:70 18.45 -13.17 C:69 17.02 -13.17 C:72 14.56 -12.15 C:86 19.45 -12.15 C:79 14.56 -8.70 C:81 12.22 -11.58 C:40 19.45 -10.73 C:88 11.38 -10.43 C:45 13.58 -11.14 C:84 13.58 -9.72 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 42 8 -1 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 43 18 -2 52 19 -1 20 21 2 20 42 1 21 49 1 22 23 2 22 24 1 23 25 1 24 26 2 25 41 2 26 41 1 27 50 1 27 52 1 28 34 1 44 28 -1 29 35 1 45 29 -2 30 36 1 46 30 -2 31 37 1 47 31 -1 32 40 1 48 32 -1 33 38 1 50 33 -2 39 44 1 39 45 1 40 41 1 42 47 1 43 44 1 43 46 1 45 51 1 46 49 1 47 52 1 48 50 1 48 51 1 51 52 1', 'C37H48O14', 716.395, 'C', 'ph47_1601_6', 1001, '', '', '1', 36, NULL, NULL),
(8409, '', '(2S*,3S*,4R*,5R*,6R*,8R*,9R*,10R*,12S*,13S*,14R*,15R*)-5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane ', 'Terpenoids', 'Diterpenoids', 'Pepluanes', '[H][C@@:12]14[CH2:11][C@@:10]([CH3:19])(O[C:10001]([CH3:10002])=O)[CH2:18][C@@H:9](O[C:9001]([CH3:9002])=O)[C@@:8]1(O[C:8001]([CH3:8002])=O)[CH2:7][C@@:6]5([CH3:17])[C@H:5](O[C:5001]([CH3:5002])=O)[C@@:4]3([H])[C@@H:3](O[C:3001](=O)[c:3002]2[cH:3003][cH:3004][cH:3005][cH:3006][cH:3007]2)[C@@H:2]([CH3:16])[CH2:1][C@:15]3(O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:13]45[CH3:20]', '[H][C@@]14C[C@@](C)(OC(C)=O)C[C@@H](OC(C)=O)[C@@]1(OC(C)=O)C[C@@]5(C)[C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(=O)c2ccccc2)[C@@H](C)C[C@]3(O)[C@H](OC(C)=O)[C@@]45C', '[H][C@@:47]14[CH2:31][C@@:80]([CH3:29])(O[C:170]([CH3:21])=O)[CH2:36][C@@H:67](O[C:170]([CH3:21])=O)[C@@:87]1(O[C:170]([CH3:22])=O)[CH2:40][C@@:49]5([CH3:16])[C@H:70](O[C:171]([CH3:22])=O)[C@@:48]3([H])[C@@H:76](O[C:166](=O)[c:129]2[cH:128][cH:130][cH:133][cH:130][cH:128]2)[C@@H:36]([CH3:16])[CH2:45][C@:84]3(O)[C@H:74](O[C:169]([CH3:21])=O)[C@@:51]45[CH3:16]', '52 56 H 17.45 -8.66 H 14.05 -12.39 C:9002 23.10 -12.92 C:5002 14.05 -15.59 C:14002 14.05 -5.68 C:10002 22.39 -5.43 C:8002 19.81 -14.22 C:16 10.40 -10.65 C:19 19.38 -6.70 C:17 16.52 -12.83 C:20 16.52 -8.32 O 23.10 -10.49 O 12.94 -13.63 O 12.82 -7.76 O 19.97 -5.43 O 17.78 -13.09 O 10.15 -11.93 O 14.05 -8.52 C:3005 8.75 -16.83 C:3004 10.15 -16.83 C:3006 8.03 -15.63 C:3003 10.85 -15.59 C:3007 8.75 -14.38 C:18 20.74 -9.21 C:1 12.69 -9.47 C:11 18.47 -8.20 C:7 17.87 -11.79 O 21.00 -11.66 O 12.25 -13.17 O 15.28 -13.52 O 15.28 -7.76 O 21.20 -7.53 O 19.56 -11.79 C:9001 22.39 -11.66 C:5001 14.05 -14.22 C:14001 14.05 -7.08 C:10001 21.20 -6.12 C:8001 18.99 -13.09 C:3001 10.85 -13.17 C:3002 10.15 -14.38 C:2 11.85 -10.65 C:9 20.14 -10.49 C:3 12.69 -11.79 C:5 15.28 -12.08 C:14 15.28 -9.21 C:10 19.89 -8.03 C:12 17.87 -9.47 C:6 16.52 -11.36 C:4 14.05 -11.36 C:15 14.05 -9.92 C:13 16.52 -9.92 C:8 18.74 -10.65 47 1 -1 49 2 -2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 41 8 -1 46 9 -2 48 10 -2 51 11 -2 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 50 18 -1 19 20 1 19 21 2 20 22 2 21 23 1 22 40 1 23 40 2 24 42 1 24 46 1 25 41 1 25 50 1 26 46 1 26 47 1 27 48 1 27 52 1 28 34 1 42 28 -1 29 39 1 43 29 -1 30 35 1 44 30 -2 31 36 1 45 31 -2 32 37 1 46 32 -1 33 38 1 52 33 -2 39 40 1 41 43 1 42 52 1 43 49 1 44 48 1 44 49 1 45 50 1 45 51 1 47 51 1 47 52 1 48 51 1 49 50 1', '52 56 H 17.45 -8.66 H 14.05 -12.39 C 23.10 -12.92 C 14.05 -15.59 C 14.05 -5.68 C 22.39 -5.43 C 19.81 -14.22 C 10.40 -10.65 C 19.38 -6.70 C 16.52 -12.83 C 16.52 -8.32 O 23.10 -10.49 O 12.94 -13.63 O 12.82 -7.76 O 19.97 -5.43 O 17.78 -13.09 O 10.15 -11.93 O 14.05 -8.52 C 8.75 -16.83 C 10.15 -16.83 C 8.03 -15.63 C 10.85 -15.59 C 8.75 -14.38 C 20.74 -9.21 C 12.69 -9.47 C 18.47 -8.20 C 17.87 -11.79 O 21.00 -11.66 O 12.25 -13.17 O 15.28 -13.52 O 15.28 -7.76 O 21.20 -7.53 O 19.56 -11.79 C 22.39 -11.66 C 14.05 -14.22 C 14.05 -7.08 C 21.20 -6.12 C 18.99 -13.09 C 10.85 -13.17 C 10.15 -14.38 C 11.85 -10.65 C 20.14 -10.49 C 12.69 -11.79 C 15.28 -12.08 C 15.28 -9.21 C 19.89 -8.03 C 17.87 -9.47 C 16.52 -11.36 C 14.05 -11.36 C 14.05 -9.92 C 16.52 -9.92 C 18.74 -10.65 47 1 -1 49 2 -2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 41 8 -1 46 9 -2 48 10 -2 51 11 -2 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 50 18 -1 19 20 1 19 21 2 20 22 2 21 23 1 22 40 1 23 40 2 24 42 1 24 46 1 25 41 1 25 50 1 26 46 1 26 47 1 27 48 1 27 52 1 28 34 1 42 28 -1 29 39 1 43 29 -1 30 35 1 44 30 -2 31 36 1 45 31 -2 32 37 1 46 32 -1 33 38 1 52 33 -2 39 40 1 41 43 1 42 52 1 43 49 1 44 48 1 44 49 1 45 50 1 45 51 1 47 51 1 47 52 1 48 51 1 49 50 1', '52 56 H 17.45 -8.66 H 14.05 -12.39 C:21 23.10 -12.92 C:22 14.05 -15.59 C:21 14.05 -5.68 C:21 22.39 -5.43 C:22 19.81 -14.22 C:16 10.40 -10.65 C:29 19.38 -6.70 C:16 16.52 -12.83 C:16 16.52 -8.32 O 23.10 -10.49 O 12.94 -13.63 O 12.82 -7.76 O 19.97 -5.43 O 17.78 -13.09 O 10.15 -11.93 O 14.05 -8.52 C:133 8.75 -16.83 C:130 10.15 -16.83 C:130 8.03 -15.63 C:128 10.85 -15.59 C:128 8.75 -14.38 C:36 20.74 -9.21 C:45 12.69 -9.47 C:31 18.47 -8.20 C:40 17.87 -11.79 O 21.00 -11.66 O 12.25 -13.17 O 15.28 -13.52 O 15.28 -7.76 O 21.20 -7.53 O 19.56 -11.79 C:170 22.39 -11.66 C:171 14.05 -14.22 C:169 14.05 -7.08 C:170 21.20 -6.12 C:170 18.99 -13.09 C:166 10.85 -13.17 C:129 10.15 -14.38 C:36 11.85 -10.65 C:67 20.14 -10.49 C:76 12.69 -11.79 C:70 15.28 -12.08 C:74 15.28 -9.21 C:80 19.89 -8.03 C:47 17.87 -9.47 C:49 16.52 -11.36 C:48 14.05 -11.36 C:84 14.05 -9.92 C:51 16.52 -9.92 C:87 18.74 -10.65 47 1 -1 49 2 -2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 41 8 -1 46 9 -2 48 10 -2 51 11 -2 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 39 2 50 18 -1 19 20 1 19 21 2 20 22 2 21 23 1 22 40 1 23 40 2 24 42 1 24 46 1 25 41 1 25 50 1 26 46 1 26 47 1 27 48 1 27 52 1 28 34 1 42 28 -1 29 39 1 43 29 -1 30 35 1 44 30 -2 31 36 1 45 31 -2 32 37 1 46 32 -1 33 38 1 52 33 -2 39 40 1 41 43 1 42 52 1 43 49 1 44 48 1 44 49 1 45 50 1 45 51 1 47 51 1 47 52 1 48 51 1 49 50 1', 'C37H48O13', 700.404, 'C', 'ph47_1601_7', 1001, '', '', '1', 36, 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
(8410, '', '(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-benzoyloxy-9,14-dioxojatropha-6(17),11E-diene ', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]23[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@H:8](O[C:8001](=O)[c:8002]1[cH:8003][cH:8004][cH:8005][cH:8006][cH:8007]1)[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]3O[C:3001]([CH3:3002])=O', '[H][C@@]23[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H](OC(=O)c1ccccc1)C(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]3OC(C)=O', '[H][C@@:50]23[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:169]([CH3:21])=O)[C@H:75](O[C:165](=O)[c:129]1[cH:130][cH:128][cH:134][cH:128][cH:130]1)[C:205](=O)[C@:49]([CH3:23])([CH3:28])[CH:136]=[CH:133][C@@H:45]([CH3:20])[C:211](=O)[C@@:96]2(O[C:169]([CH3:21])=O)[CH2:46][C@@:86]([CH3:18])(O[C:171]([CH3:22])=O)[C@@H:78]3O[C:170]([CH3:21])=O', '52 54 H 13.50 -10.50 C:17 16.84 -9.28 C:7002 16.63 -15.32 C:5002 13.19 -14.12 C:3002 10.24 -13.05 C:2002 8.12 -9.96 C:15002 11.49 -5.26 C:20 16.84 -5.84 C:18 21.00 -9.65 C:19 20.62 -8.02 C:16 10.54 -8.01 O 18.79 -14.15 O 12.00 -12.45 O 9.85 -10.56 O 8.99 -7.76 O 11.08 -7.66 O 21.50 -12.06 O 20.89 -11.36 O 14.28 -5.85 C:12 17.31 -8.15 C:11 18.73 -8.15 C:8005 22.13 -17.03 C:8004 23.01 -15.94 C:8006 20.75 -16.81 C:8003 22.51 -14.64 C:8007 20.25 -15.50 C:1 12.50 -7.70 O 16.75 -12.93 O 14.32 -11.91 O 12.06 -11.39 O 19.27 -12.93 O 10.53 -9.68 O 13.35 -6.82 C:7001 17.40 -14.15 C:5001 13.19 -12.75 C:3001 10.68 -11.69 C:2001 9.25 -9.13 C:15001 11.97 -6.58 C:6 16.28 -10.58 C:8001 20.65 -13.15 C:9 19.74 -10.58 C:14 14.85 -7.13 C:8002 21.13 -14.41 C:13 16.28 -7.13 C:7 17.31 -11.60 C:8 18.73 -11.60 C:5 14.85 -10.58 C:3 12.50 -10.01 C:10 19.74 -9.16 C:2 11.66 -8.85 C:4 13.87 -9.57 C:15 13.87 -8.15 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -2 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 42 2 20 21 2 20 44 1 21 49 1 22 23 2 22 24 1 23 25 1 24 26 2 25 43 2 26 43 1 27 50 1 27 52 1 28 34 1 45 28 -1 29 35 1 47 29 -2 30 36 1 48 30 -1 31 40 1 46 31 -1 32 37 1 50 32 -2 33 38 1 52 33 -1 39 45 1 39 47 1 40 43 1 41 46 1 41 49 1 42 44 1 42 52 1 45 46 1 47 51 1 48 50 1 48 51 1 51 52 1', '52 54 H 13.50 -10.50 C 16.84 -9.28 C 16.63 -15.32 C 13.19 -14.12 C 10.24 -13.05 C 8.12 -9.96 C 11.49 -5.26 C 16.84 -5.84 C 21.00 -9.65 C 20.62 -8.02 C 10.54 -8.01 O 18.79 -14.15 O 12.00 -12.45 O 9.85 -10.56 O 8.99 -7.76 O 11.08 -7.66 O 21.50 -12.06 O 20.89 -11.36 O 14.28 -5.85 C 17.31 -8.15 C 18.73 -8.15 C 22.13 -17.03 C 23.01 -15.94 C 20.75 -16.81 C 22.51 -14.64 C 20.25 -15.50 C 12.50 -7.70 O 16.75 -12.93 O 14.32 -11.91 O 12.06 -11.39 O 19.27 -12.93 O 10.53 -9.68 O 13.35 -6.82 C 17.40 -14.15 C 13.19 -12.75 C 10.68 -11.69 C 9.25 -9.13 C 11.97 -6.58 C 16.28 -10.58 C 20.65 -13.15 C 19.74 -10.58 C 14.85 -7.13 C 21.13 -14.41 C 16.28 -7.13 C 17.31 -11.60 C 18.73 -11.60 C 14.85 -10.58 C 12.50 -10.01 C 19.74 -9.16 C 11.66 -8.85 C 13.87 -9.57 C 13.87 -8.15 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -2 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 42 2 20 21 2 20 44 1 21 49 1 22 23 2 22 24 1 23 25 1 24 26 2 25 43 2 26 43 1 27 50 1 27 52 1 28 34 1 45 28 -1 29 35 1 47 29 -2 30 36 1 48 30 -1 31 40 1 46 31 -1 32 37 1 50 32 -2 33 38 1 52 33 -1 39 45 1 39 47 1 40 43 1 41 46 1 41 49 1 42 44 1 42 52 1 45 46 1 47 51 1 48 50 1 48 51 1 51 52 1', '52 54 H 13.50 -10.50 C:113 16.84 -9.28 C:21 16.63 -15.32 C:21 13.19 -14.12 C:21 10.24 -13.05 C:22 8.12 -9.96 C:21 11.49 -5.26 C:20 16.84 -5.84 C:23 21.00 -9.65 C:28 20.62 -8.02 C:18 10.54 -8.01 O 18.79 -14.15 O 12.00 -12.45 O 9.85 -10.56 O 8.99 -7.76 O 11.08 -7.66 O 21.50 -12.06 O 20.89 -11.36 O 14.28 -5.85 C:133 17.31 -8.15 C:136 18.73 -8.15 C:134 22.13 -17.03 C:128 23.01 -15.94 C:128 20.75 -16.81 C:130 22.51 -14.64 C:130 20.25 -15.50 C:46 12.50 -7.70 O 16.75 -12.93 O 14.32 -11.91 O 12.06 -11.39 O 19.27 -12.93 O 10.53 -9.68 O 13.35 -6.82 C:169 17.40 -14.15 C:170 13.19 -12.75 C:170 10.68 -11.69 C:171 9.25 -9.13 C:169 11.97 -6.58 C:143 16.28 -10.58 C:165 20.65 -13.15 C:205 19.74 -10.58 C:211 14.85 -7.13 C:129 21.13 -14.41 C:45 16.28 -7.13 C:68 17.31 -11.60 C:75 18.73 -11.60 C:68 14.85 -10.58 C:78 12.50 -10.01 C:49 19.74 -9.16 C:86 11.66 -8.85 C:50 13.87 -9.57 C:96 13.87 -8.15 51 1 -2 2 39 2 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 44 8 -2 49 9 -2 49 10 -1 50 11 -1 12 34 2 13 35 2 14 36 2 15 37 2 16 38 2 17 40 2 18 41 2 19 42 2 20 21 2 20 44 1 21 49 1 22 23 2 22 24 1 23 25 1 24 26 2 25 43 2 26 43 1 27 50 1 27 52 1 28 34 1 45 28 -1 29 35 1 47 29 -2 30 36 1 48 30 -1 31 40 1 46 31 -1 32 37 1 50 32 -2 33 38 1 52 33 -1 39 45 1 39 47 1 40 43 1 41 46 1 41 49 1 42 44 1 42 52 1 45 46 1 47 51 1 48 50 1 48 51 1 51 52 1', 'C37H44O14', 712.395, 'C', 'ph47_1611_1', 1002, '', '', '1', 36, NULL, NULL),
(8411, '', '(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-Pentaacetoxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@H:8](O[C:8001](=O)[CH:8002]([CH3:8003])[CH3:8201])[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H](OC(=O)C(C)C)C(=O)[C@@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:50]12[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:169]([CH3:21])=O)[C@H:74](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C:206](=O)[C@@:49]([CH3:28])([CH3:23])[CH:136]=[CH:133][C@@H:45]([CH3:20])[C:211](=O)[C@@:92]1(O[C:169]([CH3:21])=O)[CH2:46][C@@:86]([CH3:18])(O[C:170]([CH3:22])=O)[C@@H:78]2O[C:170]([CH3:21])=O', '49 50 H 13.72 -11.29 C:17 17.06 -10.07 C:7002 16.85 -16.11 C:5002 13.41 -14.91 C:3002 10.46 -13.84 C:2002 8.34 -10.75 C:15002 11.71 -6.05 C:8003 22.74 -15.37 C:8201 20.46 -16.28 C:20 17.06 -6.63 C:19 20.84 -8.81 C:18 21.22 -10.44 C:16 10.76 -8.80 O 19.01 -14.94 O 12.22 -13.24 O 10.07 -11.35 O 9.21 -8.55 O 11.30 -8.45 O 21.72 -12.85 O 21.11 -12.15 O 14.50 -6.64 C:12 17.53 -8.94 C:11 18.95 -8.94 C:1 12.72 -8.49 O 16.97 -13.72 O 14.54 -12.70 O 19.49 -13.72 O 12.28 -12.18 O 10.75 -10.47 O 13.57 -7.61 C:7001 17.62 -14.94 C:5001 13.41 -13.54 C:3001 10.90 -12.48 C:2001 9.47 -9.92 C:15001 12.19 -7.37 C:6 16.50 -11.37 C:8001 20.87 -13.94 C:9 19.96 -11.37 C:14 15.07 -7.92 C:8002 21.35 -15.20 C:13 16.50 -7.92 C:7 17.53 -12.39 C:8 18.95 -12.39 C:5 15.07 -11.37 C:3 12.72 -10.80 C:10 19.96 -9.95 C:2 11.88 -9.64 C:4 14.09 -10.36 C:15 14.09 -8.94 48 1 -2 2 36 2 3 31 1 4 32 1 5 33 1 6 34 1 7 35 1 8 40 1 9 40 1 41 10 -2 46 11 -1 46 12 -2 47 13 -1 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 39 2 22 23 2 22 41 1 23 46 1 24 47 1 24 49 1 25 31 1 42 25 -1 26 32 1 44 26 -2 27 37 1 43 27 -1 28 33 1 45 28 -1 29 34 1 47 29 -2 30 35 1 49 30 -1 36 42 1 36 44 1 37 40 1 38 43 1 38 46 1 39 41 1 39 49 1 42 43 1 44 48 1 45 47 1 45 48 1 48 49 1', '49 50 H 13.72 -11.29 C 17.06 -10.07 C 16.85 -16.11 C 13.41 -14.91 C 10.46 -13.84 C 8.34 -10.75 C 11.71 -6.05 C 22.74 -15.37 C 20.46 -16.28 C 17.06 -6.63 C 20.84 -8.81 C 21.22 -10.44 C 10.76 -8.80 O 19.01 -14.94 O 12.22 -13.24 O 10.07 -11.35 O 9.21 -8.55 O 11.30 -8.45 O 21.72 -12.85 O 21.11 -12.15 O 14.50 -6.64 C 17.53 -8.94 C 18.95 -8.94 C 12.72 -8.49 O 16.97 -13.72 O 14.54 -12.70 O 19.49 -13.72 O 12.28 -12.18 O 10.75 -10.47 O 13.57 -7.61 C 17.62 -14.94 C 13.41 -13.54 C 10.90 -12.48 C 9.47 -9.92 C 12.19 -7.37 C 16.50 -11.37 C 20.87 -13.94 C 19.96 -11.37 C 15.07 -7.92 C 21.35 -15.20 C 16.50 -7.92 C 17.53 -12.39 C 18.95 -12.39 C 15.07 -11.37 C 12.72 -10.80 C 19.96 -9.95 C 11.88 -9.64 C 14.09 -10.36 C 14.09 -8.94 48 1 -2 2 36 2 3 31 1 4 32 1 5 33 1 6 34 1 7 35 1 8 40 1 9 40 1 41 10 -2 46 11 -1 46 12 -2 47 13 -1 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 39 2 22 23 2 22 41 1 23 46 1 24 47 1 24 49 1 25 31 1 42 25 -1 26 32 1 44 26 -2 27 37 1 43 27 -1 28 33 1 45 28 -1 29 34 1 47 29 -2 30 35 1 49 30 -1 36 42 1 36 44 1 37 40 1 38 43 1 38 46 1 39 41 1 39 49 1 42 43 1 44 48 1 45 47 1 45 48 1 48 49 1', '49 50 H 13.72 -11.29 C:113 17.06 -10.07 C:21 16.85 -16.11 C:21 13.41 -14.91 C:21 10.46 -13.84 C:22 8.34 -10.75 C:21 11.71 -6.05 C:19 22.74 -15.37 C:19 20.46 -16.28 C:20 17.06 -6.63 C:28 20.84 -8.81 C:23 21.22 -10.44 C:18 10.76 -8.80 O 19.01 -14.94 O 12.22 -13.24 O 10.07 -11.35 O 9.21 -8.55 O 11.30 -8.45 O 21.72 -12.85 O 21.11 -12.15 O 14.50 -6.64 C:133 17.53 -8.94 C:136 18.95 -8.94 C:46 12.72 -8.49 O 16.97 -13.72 O 14.54 -12.70 O 19.49 -13.72 O 12.28 -12.18 O 10.75 -10.47 O 13.57 -7.61 C:169 17.62 -14.94 C:170 13.41 -13.54 C:170 10.90 -12.48 C:170 9.47 -9.92 C:169 12.19 -7.37 C:143 16.50 -11.37 C:176 20.87 -13.94 C:206 19.96 -11.37 C:211 15.07 -7.92 C:34 21.35 -15.20 C:45 16.50 -7.92 C:68 17.53 -12.39 C:74 18.95 -12.39 C:68 15.07 -11.37 C:78 12.72 -10.80 C:49 19.96 -9.95 C:86 11.88 -9.64 C:50 14.09 -10.36 C:92 14.09 -8.94 48 1 -2 2 36 2 3 31 1 4 32 1 5 33 1 6 34 1 7 35 1 8 40 1 9 40 1 41 10 -2 46 11 -1 46 12 -2 47 13 -1 14 31 2 15 32 2 16 33 2 17 34 2 18 35 2 19 37 2 20 38 2 21 39 2 22 23 2 22 41 1 23 46 1 24 47 1 24 49 1 25 31 1 42 25 -1 26 32 1 44 26 -2 27 37 1 43 27 -1 28 33 1 45 28 -1 29 34 1 47 29 -2 30 35 1 49 30 -1 36 42 1 36 44 1 37 40 1 38 43 1 38 46 1 39 41 1 39 49 1 42 43 1 44 48 1 45 47 1 45 48 1 48 49 1', 'C34H46O14', 678.363, 'C', 'ph47_1611_2', 1002, '', '', '1', 36, NULL, NULL),
(8412, '', '(2R*,3R*,4S*,5 R*,7S*,8 R*, 13R*, 15R*)-2,3,5,7,15-Pentaacetoxy-8-(2c- methylbutyroyloxy)-9,14-dioxojatropha-6(17), 11E-diene', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@H:8](O[C:8001](=O)[CH2:8002][CH:8003]([CH3:8301])[CH3:8004])[C:9](=O)[C@@:10]([CH3:19])([CH3:18])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@@:2]([CH3:16])(O[C:2001]([CH3:2002])=O)[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H](OC(=O)CC(C)C)C(=O)[C@@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@@](C)(OC(C)=O)[C@@H]2OC(C)=O', '[H][C@@:50]12[C@@H:68](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:169]([CH3:21])=O)[C@H:74](O[C:174](=O)[CH2:40][CH:27]([CH3:11])[CH3:16])[C:206](=O)[C@@:49]([CH3:28])([CH3:23])[CH:136]=[CH:133][C@@H:45]([CH3:20])[C:211](=O)[C@@:92]1(O[C:169]([CH3:21])=O)[CH2:46][C@@:86]([CH3:18])(O[C:170]([CH3:22])=O)[C@@H:78]2O[C:170]([CH3:21])=O', '50 51 H 14.28 -10.60 C:17 17.61 -9.38 C:7002 17.40 -15.42 C:5002 13.97 -14.22 C:3002 11.01 -13.15 C:2002 8.89 -10.06 C:15002 12.26 -5.37 C:8301 19.62 -15.38 C:8004 21.51 -16.91 C:20 17.61 -5.95 C:19 21.39 -8.12 C:18 21.77 -9.75 C:16 11.31 -8.11 O 19.56 -14.25 O 12.77 -12.55 O 10.62 -10.66 O 9.76 -7.86 O 11.85 -7.76 O 22.27 -12.16 O 21.66 -11.46 O 15.06 -5.96 C:12 18.08 -8.25 C:11 19.50 -8.25 C:8002 21.90 -14.51 C:1 13.27 -7.80 O 17.52 -13.03 O 20.04 -13.03 O 15.10 -12.01 O 12.83 -11.49 O 11.30 -9.78 O 14.13 -6.93 C:7001 18.17 -14.25 C:5001 13.97 -12.85 C:3001 11.45 -11.79 C:2001 10.02 -9.23 C:15001 12.74 -6.69 C:8001 21.42 -13.25 C:6 17.06 -10.68 C:9 20.51 -10.68 C:14 15.63 -7.23 C:8003 21.01 -15.60 C:13 17.06 -7.23 C:7 18.08 -11.70 C:8 19.50 -11.70 C:5 15.63 -10.68 C:3 13.27 -10.11 C:10 20.51 -9.26 C:2 12.43 -8.95 C:4 14.65 -9.67 C:15 14.65 -8.25 49 1 -2 2 38 2 3 32 1 4 33 1 5 34 1 6 35 1 7 36 1 8 41 1 9 41 1 42 10 -2 47 11 -1 47 12 -2 48 13 -1 14 32 2 15 33 2 16 34 2 17 35 2 18 36 2 19 37 2 20 39 2 21 40 2 22 23 2 22 42 1 23 47 1 24 37 1 24 41 1 25 48 1 25 50 1 26 32 1 43 26 -1 27 37 1 44 27 -1 28 33 1 45 28 -2 29 34 1 46 29 -1 30 35 1 48 30 -2 31 36 1 50 31 -1 38 43 1 38 45 1 39 44 1 39 47 1 40 42 1 40 50 1 43 44 1 45 49 1 46 48 1 46 49 1 49 50 1', '50 51 H 14.28 -10.60 C 17.61 -9.38 C 17.40 -15.42 C 13.97 -14.22 C 11.01 -13.15 C 8.89 -10.06 C 12.26 -5.37 C 19.62 -15.38 C 21.51 -16.91 C 17.61 -5.95 C 21.39 -8.12 C 21.77 -9.75 C 11.31 -8.11 O 19.56 -14.25 O 12.77 -12.55 O 10.62 -10.66 O 9.76 -7.86 O 11.85 -7.76 O 22.27 -12.16 O 21.66 -11.46 O 15.06 -5.96 C 18.08 -8.25 C 19.50 -8.25 C 21.90 -14.51 C 13.27 -7.80 O 17.52 -13.03 O 20.04 -13.03 O 15.10 -12.01 O 12.83 -11.49 O 11.30 -9.78 O 14.13 -6.93 C 18.17 -14.25 C 13.97 -12.85 C 11.45 -11.79 C 10.02 -9.23 C 12.74 -6.69 C 21.42 -13.25 C 17.06 -10.68 C 20.51 -10.68 C 15.63 -7.23 C 21.01 -15.60 C 17.06 -7.23 C 18.08 -11.70 C 19.50 -11.70 C 15.63 -10.68 C 13.27 -10.11 C 20.51 -9.26 C 12.43 -8.95 C 14.65 -9.67 C 14.65 -8.25 49 1 -2 2 38 2 3 32 1 4 33 1 5 34 1 6 35 1 7 36 1 8 41 1 9 41 1 42 10 -2 47 11 -1 47 12 -2 48 13 -1 14 32 2 15 33 2 16 34 2 17 35 2 18 36 2 19 37 2 20 39 2 21 40 2 22 23 2 22 42 1 23 47 1 24 37 1 24 41 1 25 48 1 25 50 1 26 32 1 43 26 -1 27 37 1 44 27 -1 28 33 1 45 28 -2 29 34 1 46 29 -1 30 35 1 48 30 -2 31 36 1 50 31 -1 38 43 1 38 45 1 39 44 1 39 47 1 40 42 1 40 50 1 43 44 1 45 49 1 46 48 1 46 49 1 49 50 1', '50 51 H 14.28 -10.60 C:113 17.61 -9.38 C:21 17.40 -15.42 C:21 13.97 -14.22 C:21 11.01 -13.15 C:22 8.89 -10.06 C:21 12.26 -5.37 C:11 19.62 -15.38 C:16 21.51 -16.91 C:20 17.61 -5.95 C:28 21.39 -8.12 C:23 21.77 -9.75 C:18 11.31 -8.11 O 19.56 -14.25 O 12.77 -12.55 O 10.62 -10.66 O 9.76 -7.86 O 11.85 -7.76 O 22.27 -12.16 O 21.66 -11.46 O 15.06 -5.96 C:133 18.08 -8.25 C:136 19.50 -8.25 C:40 21.90 -14.51 C:46 13.27 -7.80 O 17.52 -13.03 O 20.04 -13.03 O 15.10 -12.01 O 12.83 -11.49 O 11.30 -9.78 O 14.13 -6.93 C:169 18.17 -14.25 C:170 13.97 -12.85 C:170 11.45 -11.79 C:170 10.02 -9.23 C:169 12.74 -6.69 C:174 21.42 -13.25 C:143 17.06 -10.68 C:206 20.51 -10.68 C:211 15.63 -7.23 C:27 21.01 -15.60 C:45 17.06 -7.23 C:68 18.08 -11.70 C:74 19.50 -11.70 C:68 15.63 -10.68 C:78 13.27 -10.11 C:49 20.51 -9.26 C:86 12.43 -8.95 C:50 14.65 -9.67 C:92 14.65 -8.25 49 1 -2 2 38 2 3 32 1 4 33 1 5 34 1 6 35 1 7 36 1 8 41 1 9 41 1 42 10 -2 47 11 -1 47 12 -2 48 13 -1 14 32 2 15 33 2 16 34 2 17 35 2 18 36 2 19 37 2 20 39 2 21 40 2 22 23 2 22 42 1 23 47 1 24 37 1 24 41 1 25 48 1 25 50 1 26 32 1 43 26 -1 27 37 1 44 27 -1 28 33 1 45 28 -2 29 34 1 46 29 -1 30 35 1 48 30 -2 31 36 1 50 31 -1 38 43 1 38 45 1 39 44 1 39 47 1 40 42 1 40 50 1 43 44 1 45 49 1 46 48 1 46 49 1 49 50 1', 'C35H48O14', 692.374, 'C', 'ph47_1611_3', 1002, '', '', '1', 36, NULL, NULL),
(8413, '', 'Tetraacetoxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene ', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@@:4]12[C@@H:5](O[C:5001]([CH3:5002])=O)[C:6](=[CH2:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@H:8](O[C:8001](=O)[CH:8002]([CH3:8201])[CH3:8003])[C:9](=O)[C@:10]([CH3:18])([CH3:19])[CH:11]=[CH:12][C@@H:13]([CH3:20])[C:14](=O)[C@@:15]1(O[C:15001]([CH3:15002])=O)[CH2:1][C@H:2]([CH3:16])[C@@H:3]2O[C:3001]([CH3:3002])=O', '[H][C@@]12[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H](OC(=O)C(C)C)C(=O)[C@](C)(C)C=C[C@@H](C)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(C)=O', '[H][C@@:53]12[C@@H:74](O[C:170]([CH3:21])=O)[C:143](=[CH2:113])[C@H:68](O[C:170]([CH3:21])=O)[C@H:68](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C:205](=O)[C@:49]([CH3:23])([CH3:28])[CH:136]=[CH:133][C@@H:45]([CH3:20])[C:212](=O)[C@@:91]1(O[C:169]([CH3:21])=O)[CH2:45][C@H:38]([CH3:13])[C@@H:76]2O[C:170]([CH3:21])=O', '45 46 H 12.88 -11.29 C:17 16.22 -10.07 C:7002 16.01 -16.11 C:5002 12.57 -14.91 C:3002 9.62 -13.84 C:15002 10.87 -6.05 C:8201 19.62 -16.28 C:8003 21.90 -15.37 C:20 16.22 -6.63 C:16 9.64 -9.64 C:18 20.38 -10.44 C:19 20.00 -8.81 O 18.17 -14.94 O 11.38 -13.24 O 9.23 -11.35 O 10.46 -8.45 O 20.88 -12.85 O 13.66 -6.64 O 20.27 -12.15 C:12 16.69 -8.94 C:11 18.11 -8.94 C:1 11.88 -8.49 O 16.13 -13.72 O 13.70 -12.70 O 11.44 -12.18 O 18.65 -13.72 O 12.73 -7.61 C:7001 16.78 -14.94 C:5001 12.57 -13.54 C:3001 10.06 -12.48 C:15001 11.35 -7.37 C:6 15.66 -11.37 C:8001 20.03 -13.94 C:14 14.23 -7.92 C:9 19.12 -11.37 C:8002 20.51 -15.20 C:13 15.66 -7.92 C:2 11.04 -9.64 C:7 16.69 -12.39 C:8 18.11 -12.39 C:5 14.23 -11.37 C:3 11.88 -10.80 C:10 19.12 -9.95 C:4 13.25 -10.36 C:15 13.25 -8.94 44 1 -2 2 32 2 3 28 1 4 29 1 5 30 1 6 31 1 7 36 1 8 36 1 37 9 -2 38 10 -1 43 11 -2 43 12 -1 13 28 2 14 29 2 15 30 2 16 31 2 17 33 2 18 34 2 19 35 2 20 21 2 20 37 1 21 43 1 22 38 1 22 45 1 23 28 1 39 23 -1 24 29 1 41 24 -2 25 30 1 42 25 -1 26 33 1 40 26 -1 27 31 1 45 27 -1 32 39 1 32 41 1 33 36 1 34 37 1 34 45 1 35 40 1 35 43 1 38 42 1 39 40 1 41 44 1 42 44 1 44 45 1', '45 46 H 12.88 -11.29 C 16.22 -10.07 C 16.01 -16.11 C 12.57 -14.91 C 9.62 -13.84 C 10.87 -6.05 C 19.62 -16.28 C 21.90 -15.37 C 16.22 -6.63 C 9.64 -9.64 C 20.38 -10.44 C 20.00 -8.81 O 18.17 -14.94 O 11.38 -13.24 O 9.23 -11.35 O 10.46 -8.45 O 20.88 -12.85 O 13.66 -6.64 O 20.27 -12.15 C 16.69 -8.94 C 18.11 -8.94 C 11.88 -8.49 O 16.13 -13.72 O 13.70 -12.70 O 11.44 -12.18 O 18.65 -13.72 O 12.73 -7.61 C 16.78 -14.94 C 12.57 -13.54 C 10.06 -12.48 C 11.35 -7.37 C 15.66 -11.37 C 20.03 -13.94 C 14.23 -7.92 C 19.12 -11.37 C 20.51 -15.20 C 15.66 -7.92 C 11.04 -9.64 C 16.69 -12.39 C 18.11 -12.39 C 14.23 -11.37 C 11.88 -10.80 C 19.12 -9.95 C 13.25 -10.36 C 13.25 -8.94 44 1 -2 2 32 2 3 28 1 4 29 1 5 30 1 6 31 1 7 36 1 8 36 1 37 9 -2 38 10 -1 43 11 -2 43 12 -1 13 28 2 14 29 2 15 30 2 16 31 2 17 33 2 18 34 2 19 35 2 20 21 2 20 37 1 21 43 1 22 38 1 22 45 1 23 28 1 39 23 -1 24 29 1 41 24 -2 25 30 1 42 25 -1 26 33 1 40 26 -1 27 31 1 45 27 -1 32 39 1 32 41 1 33 36 1 34 37 1 34 45 1 35 40 1 35 43 1 38 42 1 39 40 1 41 44 1 42 44 1 44 45 1', '45 46 H 12.88 -11.29 C:113 16.22 -10.07 C:21 16.01 -16.11 C:21 12.57 -14.91 C:21 9.62 -13.84 C:21 10.87 -6.05 C:19 19.62 -16.28 C:19 21.90 -15.37 C:20 16.22 -6.63 C:13 9.64 -9.64 C:23 20.38 -10.44 C:28 20.00 -8.81 O 18.17 -14.94 O 11.38 -13.24 O 9.23 -11.35 O 10.46 -8.45 O 20.88 -12.85 O 13.66 -6.64 O 20.27 -12.15 C:133 16.69 -8.94 C:136 18.11 -8.94 C:45 11.88 -8.49 O 16.13 -13.72 O 13.70 -12.70 O 11.44 -12.18 O 18.65 -13.72 O 12.73 -7.61 C:170 16.78 -14.94 C:170 12.57 -13.54 C:170 10.06 -12.48 C:169 11.35 -7.37 C:143 15.66 -11.37 C:176 20.03 -13.94 C:212 14.23 -7.92 C:205 19.12 -11.37 C:34 20.51 -15.20 C:45 15.66 -7.92 C:38 11.04 -9.64 C:68 16.69 -12.39 C:68 18.11 -12.39 C:74 14.23 -11.37 C:76 11.88 -10.80 C:49 19.12 -9.95 C:53 13.25 -10.36 C:91 13.25 -8.94 44 1 -2 2 32 2 3 28 1 4 29 1 5 30 1 6 31 1 7 36 1 8 36 1 37 9 -2 38 10 -1 43 11 -2 43 12 -1 13 28 2 14 29 2 15 30 2 16 31 2 17 33 2 18 34 2 19 35 2 20 21 2 20 37 1 21 43 1 22 38 1 22 45 1 23 28 1 39 23 -1 24 29 1 41 24 -2 25 30 1 42 25 -1 26 33 1 40 26 -1 27 31 1 45 27 -1 32 39 1 32 41 1 33 36 1 34 37 1 34 45 1 35 40 1 35 43 1 38 42 1 39 40 1 41 44 1 42 44 1 44 45 1', 'C32H44O12', 620.343, 'C', 'ph47_1611_6', 1002, '', '', '1', 36, NULL, NULL),
(8414, '', '(2S*,3S*,4R*,5R*,6S*,8R*,11 S*,12S*,13R*,14R*,15 R*)- 6,11,14,-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy- 15-hydroxy-9-oxo-segetane', 'Terpenoids', 'Diterpenoids', 'Segetanes', '[H][C@@:8]45[CH2:7][C@:6]3(O[C:6001]([CH3:6002])=O)[CH2:17][C@@:13]([CH3:20])([C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:15]2(O)[CH2:1][C@H:2]([CH3:16])[C@H:3](O[C:3001](=O)[c:3002]1[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]1)[C@:4]2([H])[C@H:5]3O[C:5001](=O)[CH2:5002]O[C:5003]([CH3:5004])=O)[C@@:12]4([H])[C@H:11](O[C:11001]([CH3:11002])=O)[C@:10]([CH3:19])([CH3:18])[C:9]5=O', '[H][C@@]45C[C@]3(OC(C)=O)C[C@@](C)([C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]2([H])[C@H]3OC(=O)COC(C)=O)[C@@]4([H])[C@H](OC(C)=O)[C@](C)(C)C5=O', '[H][C@@:45]45[CH2:37][C@:82]3(O[C:171]([CH3:22])=O)[CH2:39][C@@:41]([CH3:32])([C@@H:75](O[C:170]([CH3:21])=O)[C@@:83]2(O)[CH2:50][C@H:37]([CH3:14])[C@H:81](O[C:166](=O)[c:129]1[cH:129][cH:129][cH:133][cH:129][cH:129]1)[C@:48]2([H])[C@H:70]3O[C:167](=O)[CH2:60]O[C:170]([CH3:20])=O)[C@@:51]4([H])[C@H:78](O[C:171]([CH3:21])=O)[C@:49]([CH3:25])([CH3:18])[C:215]5=O', '54 58 H 19.14 -10.26 H 14.67 -11.10 H 18.34 -7.22 C:5004 15.32 -18.52 C:11002 20.44 -3.80 C:14002 15.49 -3.98 C:6002 19.55 -14.24 C:16 11.15 -9.45 C:19 21.00 -6.77 C:18 21.72 -8.66 C:20 17.37 -6.04 O 13.26 -17.29 O 21.67 -5.86 O 17.36 -5.51 O 19.81 -11.83 O 16.89 -13.73 O 10.64 -11.18 O 20.93 -10.52 O 14.37 -7.37 C:3005 10.32 -16.20 C:3006 9.38 -15.16 C:3004 11.67 -15.90 C:3007 9.81 -13.83 C:3003 12.10 -14.57 C:5002 14.74 -14.87 C:1 13.39 -8.38 C:7 18.19 -10.81 C:17 16.53 -9.49 O 15.40 -16.10 O 19.24 -5.92 O 15.08 -6.36 O 14.82 -12.44 O 12.96 -11.90 O 17.58 -12.81 C:5003 14.66 -17.28 C:11001 20.44 -5.19 C:14001 15.97 -5.28 C:6001 18.97 -12.96 C:5001 15.48 -13.68 C:3001 11.59 -12.20 C:9 20.05 -9.38 C:3002 11.17 -13.53 C:2 12.58 -9.46 C:3 13.39 -10.58 C:11 19.28 -7.32 C:14 15.56 -7.68 C:5 15.56 -11.26 C:10 20.41 -8.07 C:8 18.68 -9.45 C:13 16.98 -7.44 C:4 14.67 -10.18 C:12 18.19 -8.13 C:15 14.67 -8.77 C:6 16.98 -11.53 49 1 -1 51 2 -2 52 3 -2 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -1 48 9 -1 48 10 -2 50 11 -1 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 53 19 -1 20 21 2 20 22 1 21 23 1 22 24 2 23 42 2 24 42 1 25 29 1 25 39 1 26 43 1 26 53 1 27 49 1 27 54 1 50 28 -2 54 28 -2 29 35 1 30 36 1 45 30 -2 31 37 1 46 31 -2 32 39 1 47 32 -2 33 40 1 44 33 -1 34 38 1 54 34 -1 40 42 1 41 48 1 41 49 1 43 44 1 44 51 1 45 48 1 45 52 1 46 50 1 46 53 1 47 51 1 47 54 1 49 52 1 50 52 1 51 53 1', '54 58 H 19.14 -10.26 H 14.67 -11.10 H 18.34 -7.22 C 15.32 -18.52 C 20.44 -3.80 C 15.49 -3.98 C 19.55 -14.24 C 11.15 -9.45 C 21.00 -6.77 C 21.72 -8.66 C 17.37 -6.04 O 13.26 -17.29 O 21.67 -5.86 O 17.36 -5.51 O 19.81 -11.83 O 16.89 -13.73 O 10.64 -11.18 O 20.93 -10.52 O 14.37 -7.37 C 10.32 -16.20 C 9.38 -15.16 C 11.67 -15.90 C 9.81 -13.83 C 12.10 -14.57 C 14.74 -14.87 C 13.39 -8.38 C 18.19 -10.81 C 16.53 -9.49 O 15.40 -16.10 O 19.24 -5.92 O 15.08 -6.36 O 14.82 -12.44 O 12.96 -11.90 O 17.58 -12.81 C 14.66 -17.28 C 20.44 -5.19 C 15.97 -5.28 C 18.97 -12.96 C 15.48 -13.68 C 11.59 -12.20 C 20.05 -9.38 C 11.17 -13.53 C 12.58 -9.46 C 13.39 -10.58 C 19.28 -7.32 C 15.56 -7.68 C 15.56 -11.26 C 20.41 -8.07 C 18.68 -9.45 C 16.98 -7.44 C 14.67 -10.18 C 18.19 -8.13 C 14.67 -8.77 C 16.98 -11.53 49 1 -1 51 2 -2 52 3 -2 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -1 48 9 -1 48 10 -2 50 11 -1 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 53 19 -1 20 21 2 20 22 1 21 23 1 22 24 2 23 42 2 24 42 1 25 29 1 25 39 1 26 43 1 26 53 1 27 49 1 27 54 1 50 28 -2 54 28 -2 29 35 1 30 36 1 45 30 -2 31 37 1 46 31 -2 32 39 1 47 32 -2 33 40 1 44 33 -1 34 38 1 54 34 -1 40 42 1 41 48 1 41 49 1 43 44 1 44 51 1 45 48 1 45 52 1 46 50 1 46 53 1 47 51 1 47 54 1 49 52 1 50 52 1 51 53 1', '54 58 H 19.14 -10.26 H 14.67 -11.10 H 18.34 -7.22 C:20 15.32 -18.52 C:21 20.44 -3.80 C:21 15.49 -3.98 C:22 19.55 -14.24 C:14 11.15 -9.45 C:25 21.00 -6.77 C:18 21.72 -8.66 C:32 17.37 -6.04 O 13.26 -17.29 O 21.67 -5.86 O 17.36 -5.51 O 19.81 -11.83 O 16.89 -13.73 O 10.64 -11.18 O 20.93 -10.52 O 14.37 -7.37 C:133 10.32 -16.20 C:129 9.38 -15.16 C:129 11.67 -15.90 C:129 9.81 -13.83 C:129 12.10 -14.57 C:60 14.74 -14.87 C:50 13.39 -8.38 C:37 18.19 -10.81 C:39 16.53 -9.49 O 15.40 -16.10 O 19.24 -5.92 O 15.08 -6.36 O 14.82 -12.44 O 12.96 -11.90 O 17.58 -12.81 C:170 14.66 -17.28 C:171 20.44 -5.19 C:170 15.97 -5.28 C:171 18.97 -12.96 C:167 15.48 -13.68 C:166 11.59 -12.20 C:215 20.05 -9.38 C:129 11.17 -13.53 C:37 12.58 -9.46 C:81 13.39 -10.58 C:78 19.28 -7.32 C:75 15.56 -7.68 C:70 15.56 -11.26 C:49 20.41 -8.07 C:45 18.68 -9.45 C:41 16.98 -7.44 C:48 14.67 -10.18 C:51 18.19 -8.13 C:83 14.67 -8.77 C:82 16.98 -11.53 49 1 -1 51 2 -2 52 3 -2 4 35 1 5 36 1 6 37 1 7 38 1 43 8 -1 48 9 -1 48 10 -2 50 11 -1 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 41 2 53 19 -1 20 21 2 20 22 1 21 23 1 22 24 2 23 42 2 24 42 1 25 29 1 25 39 1 26 43 1 26 53 1 27 49 1 27 54 1 50 28 -2 54 28 -2 29 35 1 30 36 1 45 30 -2 31 37 1 46 31 -2 32 39 1 47 32 -2 33 40 1 44 33 -1 34 38 1 54 34 -1 40 42 1 41 48 1 41 49 1 43 44 1 44 51 1 45 48 1 45 52 1 46 50 1 46 53 1 47 51 1 47 54 1 49 52 1 50 52 1 51 53 1', 'C37H46O14', 714.411, 'C', 'ph47_1611_7', 1002, '', '', '1', 36, NULL, NULL),
(8415, '', '(2S*,3S*,4R*,5R*,6R*,8 R*, 11S*, 12S*, 13R*, 14R*, 15 R*)-5,6,11,14,17-Pentaacetoxv-3-benzoyloxv-15-hydroxy-9-oxo-segetane', 'Terpenoids', 'Diterpenoids', 'Segetanes', '[H][C@@:8]45[CH2:7][C@@:6]3(O[C:6001]([CH3:6002])=O)[C@H:5](O[C:5001]([CH3:5002])=O)[C@@:4]2([H])[C@@H:3](O[C:3001](=O)[c:3002]1[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]1)[C@@H:2]([CH3:16])[CH2:1][C@:15]2(O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@:13]([CH3:20])([CH:17]3O[C:17001]([CH3:17002])=O)[C@@:12]4([H])[C@H:11](O[C:11001]([CH3:11002])=O)[C@:10]([CH3:19])([CH3:18])[C:9]5=O', '[H][C@@]45C[C@@]3(OC(C)=O)[C@H](OC(C)=O)[C@@]2([H])[C@@H](OC(=O)c1ccccc1)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@](C)(C3OC(C)=O)[C@@]4([H])[C@H](OC(C)=O)[C@](C)(C)C5=O', '[H][C@@:45]45[CH2:31][C@@:83]3(O[C:170]([CH3:21])=O)[C@H:67](O[C:170]([CH3:21])=O)[C@@:48]2([H])[C@@H:81](O[C:166](=O)[c:130]1[cH:129][cH:129][cH:133][cH:129][cH:129]1)[C@@H:37]([CH3:14])[CH2:50][C@:82]2(O)[C@H:74](O[C:170]([CH3:21])=O)[C@:46]([CH3:27])([CH:71]3O[C:169]([CH3:21])=O)[C@@:46]4([H])[C@H:77](O[C:171]([CH3:21])=O)[C@:49]([CH3:25])([CH3:18])[C:215]5=O', '54 58 H 19.19 -11.40 H 14.71 -12.24 H 18.39 -8.36 C:11002 20.49 -4.93 C:5002 14.78 -16.03 C:14002 15.53 -5.11 C:17002 19.98 -12.20 C:6002 19.60 -15.40 C:16 11.17 -10.59 C:19 21.05 -7.91 C:18 21.78 -9.80 C:20 17.41 -7.18 O 21.73 -7.00 O 16.93 -14.89 O 17.40 -6.65 O 18.39 -13.59 O 19.86 -12.98 O 10.66 -12.32 O 20.98 -11.66 O 14.41 -8.51 C:3005 10.34 -17.37 C:3006 9.39 -16.32 C:3004 11.70 -17.07 C:3007 9.83 -14.99 C:3003 12.13 -15.73 C:1 13.42 -9.53 C:7 18.24 -11.95 O 12.99 -13.05 O 19.29 -7.06 O 14.86 -13.60 O 15.12 -7.50 O 17.85 -11.22 O 17.63 -13.97 C:11001 20.49 -6.33 C:5001 15.52 -14.84 C:14001 16.01 -6.42 C:17001 18.69 -12.31 C:6001 19.02 -14.12 C:3001 11.62 -13.36 C:9 20.10 -10.52 C:3002 11.19 -14.69 C:2 12.61 -10.60 C:3 13.42 -11.72 C:11 19.33 -8.46 C:5 15.60 -12.40 C:14 15.60 -8.82 C:17 16.57 -10.63 C:10 20.46 -9.21 C:8 18.73 -10.59 C:4 14.71 -11.32 C:12 18.24 -9.28 C:13 17.02 -8.58 C:15 14.71 -9.91 C:6 17.02 -12.68 49 1 -1 50 2 -2 51 3 -2 4 34 1 5 35 1 6 36 1 7 37 1 8 38 1 42 9 -1 48 10 -1 48 11 -2 52 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 53 20 -1 21 22 2 21 23 1 22 24 1 23 25 2 24 41 2 25 41 1 26 42 1 26 53 1 27 49 1 27 54 1 28 39 1 43 28 -1 29 34 1 44 29 -2 30 35 1 45 30 -2 31 36 1 46 31 -2 32 37 1 32 47 1 33 38 1 54 33 -1 39 41 1 40 48 1 40 49 1 42 43 1 43 50 1 44 48 1 44 51 1 45 50 1 45 54 1 46 52 1 46 53 1 52 47 -2 54 47 -2 49 51 1 50 53 1 51 52 1', '54 58 H 19.19 -11.40 H 14.71 -12.24 H 18.39 -8.36 C 20.49 -4.93 C 14.78 -16.03 C 15.53 -5.11 C 19.98 -12.20 C 19.60 -15.40 C 11.17 -10.59 C 21.05 -7.91 C 21.78 -9.80 C 17.41 -7.18 O 21.73 -7.00 O 16.93 -14.89 O 17.40 -6.65 O 18.39 -13.59 O 19.86 -12.98 O 10.66 -12.32 O 20.98 -11.66 O 14.41 -8.51 C 10.34 -17.37 C 9.39 -16.32 C 11.70 -17.07 C 9.83 -14.99 C 12.13 -15.73 C 13.42 -9.53 C 18.24 -11.95 O 12.99 -13.05 O 19.29 -7.06 O 14.86 -13.60 O 15.12 -7.50 O 17.85 -11.22 O 17.63 -13.97 C 20.49 -6.33 C 15.52 -14.84 C 16.01 -6.42 C 18.69 -12.31 C 19.02 -14.12 C 11.62 -13.36 C 20.10 -10.52 C 11.19 -14.69 C 12.61 -10.60 C 13.42 -11.72 C 19.33 -8.46 C 15.60 -12.40 C 15.60 -8.82 C 16.57 -10.63 C 20.46 -9.21 C 18.73 -10.59 C 14.71 -11.32 C 18.24 -9.28 C 17.02 -8.58 C 14.71 -9.91 C 17.02 -12.68 49 1 -1 50 2 -2 51 3 -2 4 34 1 5 35 1 6 36 1 7 37 1 8 38 1 42 9 -1 48 10 -1 48 11 -2 52 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 53 20 -1 21 22 2 21 23 1 22 24 1 23 25 2 24 41 2 25 41 1 26 42 1 26 53 1 27 49 1 27 54 1 28 39 1 43 28 -1 29 34 1 44 29 -2 30 35 1 45 30 -2 31 36 1 46 31 -2 32 37 1 32 47 1 33 38 1 54 33 -1 39 41 1 40 48 1 40 49 1 42 43 1 43 50 1 44 48 1 44 51 1 45 50 1 45 54 1 46 52 1 46 53 1 52 47 -2 54 47 -2 49 51 1 50 53 1 51 52 1', '54 58 H 19.19 -11.40 H 14.71 -12.24 H 18.39 -8.36 C:21 20.49 -4.93 C:21 14.78 -16.03 C:21 15.53 -5.11 C:21 19.98 -12.20 C:21 19.60 -15.40 C:14 11.17 -10.59 C:25 21.05 -7.91 C:18 21.78 -9.80 C:27 17.41 -7.18 O 21.73 -7.00 O 16.93 -14.89 O 17.40 -6.65 O 18.39 -13.59 O 19.86 -12.98 O 10.66 -12.32 O 20.98 -11.66 O 14.41 -8.51 C:133 10.34 -17.37 C:129 9.39 -16.32 C:129 11.70 -17.07 C:129 9.83 -14.99 C:129 12.13 -15.73 C:50 13.42 -9.53 C:31 18.24 -11.95 O 12.99 -13.05 O 19.29 -7.06 O 14.86 -13.60 O 15.12 -7.50 O 17.85 -11.22 O 17.63 -13.97 C:171 20.49 -6.33 C:170 15.52 -14.84 C:170 16.01 -6.42 C:169 18.69 -12.31 C:170 19.02 -14.12 C:166 11.62 -13.36 C:215 20.10 -10.52 C:130 11.19 -14.69 C:37 12.61 -10.60 C:81 13.42 -11.72 C:77 19.33 -8.46 C:67 15.60 -12.40 C:74 15.60 -8.82 C:71 16.57 -10.63 C:49 20.46 -9.21 C:45 18.73 -10.59 C:48 14.71 -11.32 C:46 18.24 -9.28 C:46 17.02 -8.58 C:82 14.71 -9.91 C:83 17.02 -12.68 49 1 -1 50 2 -2 51 3 -2 4 34 1 5 35 1 6 36 1 7 37 1 8 38 1 42 9 -1 48 10 -1 48 11 -2 52 12 -1 13 34 2 14 35 2 15 36 2 16 37 2 17 38 2 18 39 2 19 40 2 53 20 -1 21 22 2 21 23 1 22 24 1 23 25 2 24 41 2 25 41 1 26 42 1 26 53 1 27 49 1 27 54 1 28 39 1 43 28 -1 29 34 1 44 29 -2 30 35 1 45 30 -2 31 36 1 46 31 -2 32 37 1 32 47 1 33 38 1 54 33 -1 39 41 1 40 48 1 40 49 1 42 43 1 43 50 1 44 48 1 44 51 1 45 50 1 45 54 1 46 52 1 46 53 1 52 47 -2 54 47 -2 49 51 1 50 53 1 51 52 1', 'C37H46O14', 714.411, 'C', 'ph47_1611_8', 1002, '', '', '1', 36, NULL, NULL),
(8416, '', '(2S*,3S*,4R*,5R*,6R*,8S*, 12S*, 13S*, 14R*,15R*)-5,8,14-Triacetoxy-3-benzoyloxy- 15-hydroxy-9-oxo-paraliane ', 'Terpenoids', 'Diterpenoids', 'Paralianes', '[H][C@@:12]14[CH2:11][C@@:10]([CH3:18])([CH3:19])[C:9](=O)[C@:8]1(O[C:8001]([CH3:8002])=O)[CH2:7][C@@:6]5([CH3:17])[C@H:5](O[C:5001]([CH3:5002])=O)[C@@:4]3([H])[C@@H:3](O[C:3001](=O)[c:3002]2[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]2)[C@@H:2]([CH3:16])[CH2:1][C@:15]3(O)[C@H:14](O[C:14001]([CH3:14002])=O)[C@@:13]45[CH3:20]', '[H][C@@]14C[C@@](C)(C)C(=O)[C@]1(OC(C)=O)C[C@@]5(C)[C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(=O)c2ccccc2)[C@@H](C)C[C@]3(O)[C@H](OC(C)=O)[C@@]45C', '[H][C@@:40]14[CH2:34][C@@:46]([CH3:25])([CH3:29])[C:216](=O)[C@:91]1(O[C:170]([CH3:21])=O)[CH2:41][C@@:52]5([CH3:17])[C@H:69](O[C:170]([CH3:21])=O)[C@@:48]3([H])[C@@H:78](O[C:166](=O)[c:130]2[cH:129][cH:129][cH:133][cH:129][cH:129]2)[C@@H:36]([CH3:16])[CH2:45][C@:84]3(O)[C@H:73](O[C:170]([CH3:21])=O)[C@@:53]45[CH3:17]', '45 49 H 18.31 -8.53 H 14.87 -12.27 C:5002 14.89 -15.48 C:14002 17.32 -5.58 C:8002 20.69 -14.08 C:16 11.23 -10.54 C:18 22.26 -8.88 C:19 21.07 -7.27 C:17 17.35 -12.69 C:20 17.35 -8.20 O 13.68 -13.38 O 18.54 -7.68 O 18.45 -12.95 O 10.95 -11.90 O 22.01 -10.89 O 14.87 -8.40 C:3005 9.57 -16.72 C:3006 8.88 -15.49 C:3004 10.97 -16.72 C:3007 9.62 -14.28 C:3003 11.68 -15.55 C:1 13.51 -9.36 C:11 19.52 -8.25 C:7 18.68 -11.68 O 13.08 -13.05 O 16.10 -13.38 O 16.10 -7.68 O 20.40 -11.67 C:5001 14.89 -14.08 C:14001 17.32 -6.98 C:8001 19.85 -12.96 C:3001 11.68 -13.05 C:9 20.87 -10.08 C:3002 11.02 -14.28 C:2 12.67 -10.54 C:3 13.51 -11.68 C:5 16.10 -11.95 C:14 16.10 -9.08 C:10 20.87 -8.66 C:12 18.68 -9.36 C:6 17.35 -11.24 C:4 14.87 -11.24 C:15 14.87 -9.82 C:13 17.35 -9.82 C:8 19.55 -10.54 40 1 -1 42 2 -2 3 29 1 4 30 1 5 31 1 35 6 -1 39 7 -2 39 8 -1 41 9 -2 44 10 -2 11 29 2 12 30 2 13 31 2 14 32 2 15 33 2 43 16 -1 17 18 1 17 19 2 18 20 2 19 21 1 20 34 1 21 34 2 22 35 1 22 43 1 23 39 1 23 40 1 24 41 1 24 45 1 25 32 1 36 25 -1 26 29 1 37 26 -2 27 30 1 38 27 -2 28 31 1 45 28 -1 32 34 1 33 39 1 33 45 1 35 36 1 36 42 1 37 41 1 37 42 1 38 43 1 38 44 1 40 44 1 40 45 1 41 44 1 42 43 1', '45 49 H 18.31 -8.53 H 14.87 -12.27 C 14.89 -15.48 C 17.32 -5.58 C 20.69 -14.08 C 11.23 -10.54 C 22.26 -8.88 C 21.07 -7.27 C 17.35 -12.69 C 17.35 -8.20 O 13.68 -13.38 O 18.54 -7.68 O 18.45 -12.95 O 10.95 -11.90 O 22.01 -10.89 O 14.87 -8.40 C 9.57 -16.72 C 8.88 -15.49 C 10.97 -16.72 C 9.62 -14.28 C 11.68 -15.55 C 13.51 -9.36 C 19.52 -8.25 C 18.68 -11.68 O 13.08 -13.05 O 16.10 -13.38 O 16.10 -7.68 O 20.40 -11.67 C 14.89 -14.08 C 17.32 -6.98 C 19.85 -12.96 C 11.68 -13.05 C 20.87 -10.08 C 11.02 -14.28 C 12.67 -10.54 C 13.51 -11.68 C 16.10 -11.95 C 16.10 -9.08 C 20.87 -8.66 C 18.68 -9.36 C 17.35 -11.24 C 14.87 -11.24 C 14.87 -9.82 C 17.35 -9.82 C 19.55 -10.54 40 1 -1 42 2 -2 3 29 1 4 30 1 5 31 1 35 6 -1 39 7 -2 39 8 -1 41 9 -2 44 10 -2 11 29 2 12 30 2 13 31 2 14 32 2 15 33 2 43 16 -1 17 18 1 17 19 2 18 20 2 19 21 1 20 34 1 21 34 2 22 35 1 22 43 1 23 39 1 23 40 1 24 41 1 24 45 1 25 32 1 36 25 -1 26 29 1 37 26 -2 27 30 1 38 27 -2 28 31 1 45 28 -1 32 34 1 33 39 1 33 45 1 35 36 1 36 42 1 37 41 1 37 42 1 38 43 1 38 44 1 40 44 1 40 45 1 41 44 1 42 43 1', '45 49 H 18.31 -8.53 H 14.87 -12.27 C:21 14.89 -15.48 C:21 17.32 -5.58 C:21 20.69 -14.08 C:16 11.23 -10.54 C:25 22.26 -8.88 C:29 21.07 -7.27 C:17 17.35 -12.69 C:17 17.35 -8.20 O 13.68 -13.38 O 18.54 -7.68 O 18.45 -12.95 O 10.95 -11.90 O 22.01 -10.89 O 14.87 -8.40 C:133 9.57 -16.72 C:129 8.88 -15.49 C:129 10.97 -16.72 C:129 9.62 -14.28 C:129 11.68 -15.55 C:45 13.51 -9.36 C:34 19.52 -8.25 C:41 18.68 -11.68 O 13.08 -13.05 O 16.10 -13.38 O 16.10 -7.68 O 20.40 -11.67 C:170 14.89 -14.08 C:170 17.32 -6.98 C:170 19.85 -12.96 C:166 11.68 -13.05 C:216 20.87 -10.08 C:130 11.02 -14.28 C:36 12.67 -10.54 C:78 13.51 -11.68 C:69 16.10 -11.95 C:73 16.10 -9.08 C:46 20.87 -8.66 C:40 18.68 -9.36 C:52 17.35 -11.24 C:48 14.87 -11.24 C:84 14.87 -9.82 C:53 17.35 -9.82 C:91 19.55 -10.54 40 1 -1 42 2 -2 3 29 1 4 30 1 5 31 1 35 6 -1 39 7 -2 39 8 -1 41 9 -2 44 10 -2 11 29 2 12 30 2 13 31 2 14 32 2 15 33 2 43 16 -1 17 18 1 17 19 2 18 20 2 19 21 1 20 34 1 21 34 2 22 35 1 22 43 1 23 39 1 23 40 1 24 41 1 24 45 1 25 32 1 36 25 -1 26 29 1 37 26 -2 27 30 1 38 27 -2 28 31 1 45 28 -1 32 34 1 33 39 1 33 45 1 35 36 1 36 42 1 37 41 1 37 42 1 38 43 1 38 44 1 40 44 1 40 45 1 41 44 1 42 43 1', 'C33H42O10', 598.363, 'C', 'ph47_1611_11', 1002, '', '', '1', 36, NULL, NULL),
(8417, '', '(2S,3S,4S,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-Hexahydroxyatropha-6(17),11-dien-14-one5,7,8-tris(2-methylhutyrate)', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O)[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@:10]([CH3:19])([CH3:18])[C@H:9](O)[C@H:8](O[C:8001](=O)[CH2:8002][CH:8003]([CH3:8004])[CH3:8301])[C@@H:7](O[C:7001](=O)[CH2:7002][CH:7003]([CH3:7004])[CH3:7301])[C:6](=[CH2:17])[C@@H:5]2O[C:5001](=O)[CH2:5002][CH:5003]([CH3:5004])[CH3:5301]', '[H][C@]12[C@@H](O)[C@@H](C)C[C@]1(O)C(=O)[C@@H](C)C=C[C@](C)(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)C(=C)[C@@H]2OC(=O)CC(C)C', '[H][C@:50]12[C@@H:76](O)[C@@H:38]([CH3:15])[CH2:45][C@:89]1(O)[C:213](=O)[C@@H:44]([CH3:20])[CH:129]=[CH:138][C@:41]([CH3:23])([CH3:27])[C@H:82](O)[C@H:72](O[C:174](=O)[CH2:41][CH:9999]([CH3:9999])[CH3:11])[C@@H:69](O[C:175](=O)[CH2:41][CH:27]([CH3:16])[CH3:12])[C:146](=[CH2:111])[C@@H:69]2O[C:175](=O)[CH2:41][CH:27]([CH3:17])[CH3:12]', '46 47 H 12.25 -9.82 C:17 15.59 -8.60 C:7004 17.45 -15.91 C:7301 15.32 -17.08 C:5004 10.73 -15.54 C:5301 9.52 -13.44 C:8004 21.81 -15.21 C:8301 22.12 -12.81 C:20 15.59 -5.16 C:16 8.98 -8.18 C:19 19.36 -7.34 C:18 19.75 -8.97 O 17.53 -13.47 O 10.76 -11.77 O 20.25 -11.38 O 13.04 -5.17 O 10.82 -10.71 O 19.63 -10.68 O 12.11 -6.14 C:12 16.05 -7.47 C:11 17.47 -7.47 C:7002 15.38 -14.65 C:5002 11.95 -13.44 C:8002 19.88 -13.74 C:1 11.26 -7.02 O 15.50 -12.25 O 13.07 -11.23 O 18.01 -12.25 C:7001 16.14 -13.47 C:5001 11.95 -12.07 C:8001 19.39 -12.47 C:6 15.03 -9.90 C:14 13.60 -6.45 C:7003 16.05 -15.88 C:5003 10.73 -14.14 C:8003 21.27 -13.92 C:13 15.03 -6.45 C:2 10.42 -8.18 C:3 11.26 -9.33 C:9 18.48 -9.90 C:7 16.05 -10.92 C:5 13.60 -9.90 C:8 17.47 -10.92 C:10 18.48 -8.48 C:4 12.62 -8.89 C:15 12.62 -7.47 45 1 -2 2 32 2 3 34 1 4 34 1 5 35 1 6 35 1 7 36 1 8 36 1 37 9 -1 38 10 -1 44 11 -1 44 12 -2 13 29 2 14 30 2 15 31 2 16 33 2 39 17 -1 40 18 -2 46 19 -1 20 21 2 20 37 1 21 44 1 22 29 1 22 34 1 23 30 1 23 35 1 24 31 1 24 36 1 25 38 1 25 46 1 26 29 1 41 26 -1 27 30 1 42 27 -2 28 31 1 43 28 -2 32 41 1 32 42 1 33 37 1 33 46 1 38 39 1 39 45 1 40 43 1 40 44 1 41 43 1 42 45 1 45 46 1', '46 47 H 12.25 -9.82 C 15.59 -8.60 C 17.45 -15.91 C 15.32 -17.08 C 10.73 -15.54 C 9.52 -13.44 C 21.81 -15.21 C 22.12 -12.81 C 15.59 -5.16 C 8.98 -8.18 C 19.36 -7.34 C 19.75 -8.97 O 17.53 -13.47 O 10.76 -11.77 O 20.25 -11.38 O 13.04 -5.17 O 10.82 -10.71 O 19.63 -10.68 O 12.11 -6.14 C 16.05 -7.47 C 17.47 -7.47 C 15.38 -14.65 C 11.95 -13.44 C 19.88 -13.74 C 11.26 -7.02 O 15.50 -12.25 O 13.07 -11.23 O 18.01 -12.25 C 16.14 -13.47 C 11.95 -12.07 C 19.39 -12.47 C 15.03 -9.90 C 13.60 -6.45 C 16.05 -15.88 C 10.73 -14.14 C 21.27 -13.92 C 15.03 -6.45 C 10.42 -8.18 C 11.26 -9.33 C 18.48 -9.90 C 16.05 -10.92 C 13.60 -9.90 C 17.47 -10.92 C 18.48 -8.48 C 12.62 -8.89 C 12.62 -7.47 45 1 -2 2 32 2 3 34 1 4 34 1 5 35 1 6 35 1 7 36 1 8 36 1 37 9 -1 38 10 -1 44 11 -1 44 12 -2 13 29 2 14 30 2 15 31 2 16 33 2 39 17 -1 40 18 -2 46 19 -1 20 21 2 20 37 1 21 44 1 22 29 1 22 34 1 23 30 1 23 35 1 24 31 1 24 36 1 25 38 1 25 46 1 26 29 1 41 26 -1 27 30 1 42 27 -2 28 31 1 43 28 -2 32 41 1 32 42 1 33 37 1 33 46 1 38 39 1 39 45 1 40 43 1 40 44 1 41 43 1 42 45 1 45 46 1', '46 47 H 12.25 -9.82 C:111 15.59 -8.60 C:16 17.45 -15.91 C:12 15.32 -17.08 C:17 10.73 -15.54 C:12 9.52 -13.44 C 21.81 -15.21 C:11 22.12 -12.81 C:20 15.59 -5.16 C:15 8.98 -8.18 C:23 19.36 -7.34 C:27 19.75 -8.97 O 17.53 -13.47 O 10.76 -11.77 O 20.25 -11.38 O 13.04 -5.17 O 10.82 -10.71 O 19.63 -10.68 O 12.11 -6.14 C:129 16.05 -7.47 C:138 17.47 -7.47 C:41 15.38 -14.65 C:41 11.95 -13.44 C:41 19.88 -13.74 C:45 11.26 -7.02 O 15.50 -12.25 O 13.07 -11.23 O 18.01 -12.25 C:175 16.14 -13.47 C:175 11.95 -12.07 C:174 19.39 -12.47 C:146 15.03 -9.90 C:213 13.60 -6.45 C:27 16.05 -15.88 C:27 10.73 -14.14 C 21.27 -13.92 C:44 15.03 -6.45 C:38 10.42 -8.18 C:76 11.26 -9.33 C:82 18.48 -9.90 C:69 16.05 -10.92 C:69 13.60 -9.90 C:72 17.47 -10.92 C:41 18.48 -8.48 C:50 12.62 -8.89 C:89 12.62 -7.47 45 1 -2 2 32 2 3 34 1 4 34 1 5 35 1 6 35 1 7 36 1 8 36 1 37 9 -1 38 10 -1 44 11 -1 44 12 -2 13 29 2 14 30 2 15 31 2 16 33 2 39 17 -1 40 18 -2 46 19 -1 20 21 2 20 37 1 21 44 1 22 29 1 22 34 1 23 30 1 23 35 1 24 31 1 24 36 1 25 38 1 25 46 1 26 29 1 41 26 -1 27 30 1 42 27 -2 28 31 1 43 28 -2 32 41 1 32 42 1 33 37 1 33 46 1 38 39 1 39 45 1 40 43 1 40 44 1 41 43 1 42 45 1 45 46 1', 'C35H56O10', 636.376, 'C', 'ph47_1621_1', 1453, '', '', '1', 36, NULL, NULL),
(8418, '', '(2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-Hexahydroxy/atropha-6(17),11-dien-14-one5,7,8- tris(2-methylpropionate)', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O)[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@@:10]([CH3:18])([CH3:19])[C@H:9](O)[C@H:8](O[C:8001](=O)[CH:8002]([CH3:8003])[CH3:8201])[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7003])[CH3:7201])[C:6](=[CH2:17])[C@@H:5]2O[C:5001](=O)[CH:5002]([CH3:5201])[CH3:5003]', '[H][C@]12[C@@H](O)[C@@H](C)C[C@]1(O)C(=O)[C@@H](C)C=C[C@@](C)(C)[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(=O)C(C)C', '[H][C@:50]12[C@@H:76](O)[C@@H:38]([CH3:15])[CH2:45][C@:89]1(O)[C:213](=O)[C@@H:44]([CH3:20])[CH:129]=[CH:138][C@@:41]([CH3:27])([CH3:23])[C@H:81](O)[C@H:72](O[C:175](=O)[CH:34]([CH3:19])[CH3:19])[C@@H:69](O[C:176](=O)[CH:34]([CH3:19])[CH3:19])[C:146](=[CH2:111])[C@@H:69]2O[C:176](=O)[CH:34]([CH3:19])[CH3:19]', '43 44 H 12.69 -10.44 C:17 16.03 -9.22 C:7003 16.49 -16.49 C:7201 14.42 -15.28 C:5201 13.62 -14.72 C:5003 11.17 -14.75 C:8003 21.72 -14.53 C:8201 19.43 -15.43 C:20 16.03 -5.78 C:16 9.42 -8.80 C:18 20.20 -9.59 C:19 19.81 -7.96 O 17.98 -14.08 O 11.20 -12.39 O 20.70 -12.00 O 13.48 -5.79 O 11.26 -11.33 O 20.08 -11.30 O 12.55 -6.76 C:12 16.49 -8.09 C:11 17.92 -8.09 C:1 11.70 -7.64 O 15.94 -12.87 O 13.51 -11.85 O 18.46 -12.87 C:6 15.47 -10.52 C:7001 16.58 -14.08 C:5001 12.39 -12.69 C:8001 19.84 -13.09 C:14 14.04 -7.07 C:7002 15.82 -15.26 C:5002 12.39 -14.05 C:8002 20.33 -14.35 C:13 15.47 -7.07 C:2 10.86 -8.80 C:3 11.70 -9.95 C:9 18.93 -10.52 C:7 16.49 -11.54 C:5 14.04 -10.52 C:8 17.92 -11.54 C:10 18.93 -9.10 C:4 13.06 -9.51 C:15 13.06 -8.09 42 1 -2 2 26 2 3 31 1 4 31 1 5 32 1 6 32 1 7 33 1 8 33 1 34 9 -1 35 10 -1 41 11 -2 41 12 -1 13 27 2 14 28 2 15 29 2 16 30 2 36 17 -1 37 18 -2 43 19 -1 20 21 2 20 34 1 21 41 1 22 35 1 22 43 1 23 27 1 38 23 -1 24 28 1 39 24 -2 25 29 1 40 25 -2 26 38 1 26 39 1 27 31 1 28 32 1 29 33 1 30 34 1 30 43 1 35 36 1 36 42 1 37 40 1 37 41 1 38 40 1 39 42 1 42 43 1', '43 44 H 12.69 -10.44 C 16.03 -9.22 C 16.49 -16.49 C 14.42 -15.28 C 13.62 -14.72 C 11.17 -14.75 C 21.72 -14.53 C 19.43 -15.43 C 16.03 -5.78 C 9.42 -8.80 C 20.20 -9.59 C 19.81 -7.96 O 17.98 -14.08 O 11.20 -12.39 O 20.70 -12.00 O 13.48 -5.79 O 11.26 -11.33 O 20.08 -11.30 O 12.55 -6.76 C 16.49 -8.09 C 17.92 -8.09 C 11.70 -7.64 O 15.94 -12.87 O 13.51 -11.85 O 18.46 -12.87 C 15.47 -10.52 C 16.58 -14.08 C 12.39 -12.69 C 19.84 -13.09 C 14.04 -7.07 C 15.82 -15.26 C 12.39 -14.05 C 20.33 -14.35 C 15.47 -7.07 C 10.86 -8.80 C 11.70 -9.95 C 18.93 -10.52 C 16.49 -11.54 C 14.04 -10.52 C 17.92 -11.54 C 18.93 -9.10 C 13.06 -9.51 C 13.06 -8.09 42 1 -2 2 26 2 3 31 1 4 31 1 5 32 1 6 32 1 7 33 1 8 33 1 34 9 -1 35 10 -1 41 11 -2 41 12 -1 13 27 2 14 28 2 15 29 2 16 30 2 36 17 -1 37 18 -2 43 19 -1 20 21 2 20 34 1 21 41 1 22 35 1 22 43 1 23 27 1 38 23 -1 24 28 1 39 24 -2 25 29 1 40 25 -2 26 38 1 26 39 1 27 31 1 28 32 1 29 33 1 30 34 1 30 43 1 35 36 1 36 42 1 37 40 1 37 41 1 38 40 1 39 42 1 42 43 1', '43 44 H 12.69 -10.44 C:111 16.03 -9.22 C:19 16.49 -16.49 C:19 14.42 -15.28 C:19 13.62 -14.72 C:19 11.17 -14.75 C:19 21.72 -14.53 C:19 19.43 -15.43 C:20 16.03 -5.78 C:15 9.42 -8.80 C:27 20.20 -9.59 C:23 19.81 -7.96 O 17.98 -14.08 O 11.20 -12.39 O 20.70 -12.00 O 13.48 -5.79 O 11.26 -11.33 O 20.08 -11.30 O 12.55 -6.76 C:129 16.49 -8.09 C:138 17.92 -8.09 C:45 11.70 -7.64 O 15.94 -12.87 O 13.51 -11.85 O 18.46 -12.87 C:146 15.47 -10.52 C:176 16.58 -14.08 C:176 12.39 -12.69 C:175 19.84 -13.09 C:213 14.04 -7.07 C:34 15.82 -15.26 C:34 12.39 -14.05 C:34 20.33 -14.35 C:44 15.47 -7.07 C:38 10.86 -8.80 C:76 11.70 -9.95 C:81 18.93 -10.52 C:69 16.49 -11.54 C:69 14.04 -10.52 C:72 17.92 -11.54 C:41 18.93 -9.10 C:50 13.06 -9.51 C:89 13.06 -8.09 42 1 -2 2 26 2 3 31 1 4 31 1 5 32 1 6 32 1 7 33 1 8 33 1 34 9 -1 35 10 -1 41 11 -2 41 12 -1 13 27 2 14 28 2 15 29 2 16 30 2 36 17 -1 37 18 -2 43 19 -1 20 21 2 20 34 1 21 41 1 22 35 1 22 43 1 23 27 1 38 23 -1 24 28 1 39 24 -2 25 29 1 40 25 -2 26 38 1 26 39 1 27 31 1 28 32 1 29 33 1 30 34 1 30 43 1 35 36 1 36 42 1 37 40 1 37 41 1 38 40 1 39 42 1 42 43 1', 'C32H50O10', 594.344, 'C', 'ph47_1621_2', 1453, '', '', '1', 36, NULL, NULL),
(8419, '', '(2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-Hexahydroxyjatropha-6(16),11-dien-14-one5,8-bis(2-methylbutyrate)7-(2-methylproprionate)', 'Terpenoids', 'Diterpenoids', 'Jatrophanes', '[H][C@:4]12[C@@H:3](O)[C@@H:2]([CH3:16])[CH2:1][C@:15]1(O)[C:14](=O)[C@@H:13]([CH3:20])[CH:12]=[CH:11][C@@:10]([CH3:18])([CH3:19])[C@H:9](O)[C@H:8](O[C:8001](=O)[CH2:8002][CH:8003]([CH3:8301])[CH3:8004])[C@@H:7](O[C:7001](=O)[CH:7002]([CH3:7003])[CH3:7201])[C:6](=[CH2:17])[C@@H:5]2O[C:5001](=O)[CH2:5002][CH:5003]([CH3:5301])[CH3:5004]', '[H][C@]12[C@@H](O)[C@@H](C)C[C@]1(O)C(=O)[C@@H](C)C=C[C@@](C)(C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)C(C)C)C(=C)[C@@H]2OC(=O)CC(C)C', '[H][C@:50]12[C@@H:76](O)[C@@H:38]([CH3:15])[CH2:45][C@:89]1(O)[C:213](=O)[C@@H:44]([CH3:20])[CH:129]=[CH:138][C@@:41]([CH3:27])([CH3:23])[C@H:82](O)[C@H:72](O[C:174](=O)[CH2:41][CH:26]([CH3:11])[CH3:16])[C@@H:69](O[C:175](=O)[CH:34]([CH3:9999])[CH3:9999])[C:145](=[CH2:111])[C@@H:69]2O[C:176](=O)[CH2:41][CH:27]([CH3:12])[CH3:17]', '45 46 H 12.25 -10.44 C:17 15.59 -9.22 C:5301 9.52 -14.06 C:5004 10.73 -16.16 C:8301 22.13 -13.43 C:8004 21.82 -15.83 C:7003 16.05 -16.50 C:7201 13.98 -15.29 C:20 15.59 -5.78 C:16 8.98 -8.80 C:18 19.76 -9.59 C:19 19.37 -7.96 O 10.76 -12.39 O 20.26 -12.00 O 17.54 -14.09 O 13.03 -5.79 O 10.82 -11.33 O 19.64 -11.30 O 12.11 -6.76 C:12 16.05 -8.09 C:11 17.48 -8.09 C:5002 11.95 -14.06 C:8002 19.89 -14.36 C:1 11.26 -7.64 O 13.07 -11.85 O 18.02 -12.87 O 15.50 -12.87 C:5001 11.95 -12.69 C:8001 19.40 -13.09 C:6 15.03 -10.52 C:7001 16.14 -14.09 C:14 13.60 -7.07 C:5003 10.73 -14.76 C:8003 21.28 -14.54 C:7002 15.38 -15.27 C:13 15.03 -7.07 C:2 10.42 -8.80 C:3 11.26 -9.95 C:9 18.49 -10.52 C:7 16.05 -11.54 C:5 13.60 -10.52 C:8 17.48 -11.54 C:10 18.49 -9.10 C:4 12.62 -9.51 C:15 12.62 -8.09 44 1 -2 2 30 2 3 33 1 4 33 1 5 34 1 6 34 1 7 35 1 8 35 1 36 9 -1 37 10 -1 43 11 -2 43 12 -1 13 28 2 14 29 2 15 31 2 16 32 2 38 17 -1 39 18 -2 45 19 -1 20 21 2 20 36 1 21 43 1 22 28 1 22 33 1 23 29 1 23 34 1 24 37 1 24 45 1 25 28 1 41 25 -2 26 29 1 42 26 -2 27 31 1 40 27 -1 30 40 1 30 41 1 31 35 1 32 36 1 32 45 1 37 38 1 38 44 1 39 42 1 39 43 1 40 42 1 41 44 1 44 45 1', '45 46 H 12.25 -10.44 C 15.59 -9.22 C 9.52 -14.06 C 10.73 -16.16 C 22.13 -13.43 C 21.82 -15.83 C 16.05 -16.50 C 13.98 -15.29 C 15.59 -5.78 C 8.98 -8.80 C 19.76 -9.59 C 19.37 -7.96 O 10.76 -12.39 O 20.26 -12.00 O 17.54 -14.09 O 13.03 -5.79 O 10.82 -11.33 O 19.64 -11.30 O 12.11 -6.76 C 16.05 -8.09 C 17.48 -8.09 C 11.95 -14.06 C 19.89 -14.36 C 11.26 -7.64 O 13.07 -11.85 O 18.02 -12.87 O 15.50 -12.87 C 11.95 -12.69 C 19.40 -13.09 C 15.03 -10.52 C 16.14 -14.09 C 13.60 -7.07 C 10.73 -14.76 C 21.28 -14.54 C 15.38 -15.27 C 15.03 -7.07 C 10.42 -8.80 C 11.26 -9.95 C 18.49 -10.52 C 16.05 -11.54 C 13.60 -10.52 C 17.48 -11.54 C 18.49 -9.10 C 12.62 -9.51 C 12.62 -8.09 44 1 -2 2 30 2 3 33 1 4 33 1 5 34 1 6 34 1 7 35 1 8 35 1 36 9 -1 37 10 -1 43 11 -2 43 12 -1 13 28 2 14 29 2 15 31 2 16 32 2 38 17 -1 39 18 -2 45 19 -1 20 21 2 20 36 1 21 43 1 22 28 1 22 33 1 23 29 1 23 34 1 24 37 1 24 45 1 25 28 1 41 25 -2 26 29 1 42 26 -2 27 31 1 40 27 -1 30 40 1 30 41 1 31 35 1 32 36 1 32 45 1 37 38 1 38 44 1 39 42 1 39 43 1 40 42 1 41 44 1 44 45 1', '45 46 H 12.25 -10.44 C:111 15.59 -9.22 C:12 9.52 -14.06 C:17 10.73 -16.16 C:11 22.13 -13.43 C:16 21.82 -15.83 C 16.05 -16.50 C 13.98 -15.29 C:20 15.59 -5.78 C:15 8.98 -8.80 C:27 19.76 -9.59 C:23 19.37 -7.96 O 10.76 -12.39 O 20.26 -12.00 O 17.54 -14.09 O 13.03 -5.79 O 10.82 -11.33 O 19.64 -11.30 O 12.11 -6.76 C:129 16.05 -8.09 C:138 17.48 -8.09 C:41 11.95 -14.06 C:41 19.89 -14.36 C:45 11.26 -7.64 O 13.07 -11.85 O 18.02 -12.87 O 15.50 -12.87 C:176 11.95 -12.69 C:174 19.40 -13.09 C:145 15.03 -10.52 C:175 16.14 -14.09 C:213 13.60 -7.07 C:27 10.73 -14.76 C:26 21.28 -14.54 C:34 15.38 -15.27 C:44 15.03 -7.07 C:38 10.42 -8.80 C:76 11.26 -9.95 C:82 18.49 -10.52 C:69 16.05 -11.54 C:69 13.60 -10.52 C:72 17.48 -11.54 C:41 18.49 -9.10 C:50 12.62 -9.51 C:89 12.62 -8.09 44 1 -2 2 30 2 3 33 1 4 33 1 5 34 1 6 34 1 7 35 1 8 35 1 36 9 -1 37 10 -1 43 11 -2 43 12 -1 13 28 2 14 29 2 15 31 2 16 32 2 38 17 -1 39 18 -2 45 19 -1 20 21 2 20 36 1 21 43 1 22 28 1 22 33 1 23 29 1 23 34 1 24 37 1 24 45 1 25 28 1 41 25 -2 26 29 1 42 26 -2 27 31 1 40 27 -1 30 40 1 30 41 1 31 35 1 32 36 1 32 45 1 37 38 1 38 44 1 39 42 1 39 43 1 40 42 1 41 44 1 44 45 1', 'C34H54O10', 622.366, 'C', 'ph47_1621_3', 1453, '', '', '1', 36, NULL, NULL);
