INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`) VALUES
(1, 'Taxumairol G', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Taxanes', '[H][C@@:3]12[C@@H:2]4O[CH2:20][C@:4]1(O[C:4001]([CH3:4002])=O)[C@@H:5](O)[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]2([CH3:19])[C@@H:9](O[C:9001]([CH3:9002])=O)[C@H:10](O[C:10001]([CH3:10002])=O)[C:11]3=[C:12]([CH3:18])[C@@H:13](O[C:13001]([CH3:13002])=O)[CH2:14][C@:1]34[C:15]([CH3:17])([CH3:16])O[C:15001](=O)[c:15002]5[cH:15003][cH:15004][cH:15005][cH:15006][cH:15007]5', '[H][C@@]12[C@@H]4OC[C@]1(OC(C)=O)[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@]34C(C)(C)OC(=O)c5ccccc5', '[H][C@@:51]12[C@@H:80]4O[CH2:73][C@:94]1(O[C:169]([CH3:21])=O)[C@@H:72](O)[CH2:30][C@H:70](O[C:172]([CH3:21])=O)[C@@:43]2([CH3:15])[C@@H:74](O[C:169]([CH3:21])=O)[C@H:69](O[C:169]([CH3:21])=O)[C:136]3=[C:145]([CH3:13])[C@@H:81](O[C:171]([CH3:21])=O)[CH2:36][C@:65]34[C:88]([CH3:25])([CH3:24])O[C:166](=O)[c:133]5[cH:129][cH:128][cH:133][cH:128][cH:129]5', '52 56 H 17.95 -10.89 C:13002 9.50 -11.20 C:7002 20.42 -4.26 C:10002 12.31 -5.92 C:9002 16.46 -3.89 C:4002 21.61 -13.38 C:18 12.46 -8.34 C:16 17.17 -12.48 C:17 14.87 -12.97 C:19 17.95 -7.05 O 10.86 -9.19 O 21.61 -6.37 O 11.98 -7.71 O 14.80 -5.68 O 19.17 -13.37 O 13.88 -13.96 O 21.61 -10.56 C:15005 16.31 -18.37 C:15006 17.30 -17.39 C:15004 14.96 -18.01 C:15007 16.94 -16.03 C:15003 14.60 -16.66 C:20 18.77 -11.92 C:6 20.40 -8.46 C:14 14.44 -11.42 O 17.47 -12.02 O 11.92 -11.37 O 19.19 -6.35 O 14.57 -6.80 O 17.16 -6.21 O 20.39 -11.28 O 16.22 -13.33 C:13001 10.76 -10.59 C:7001 20.41 -5.66 C:10001 13.19 -7.01 C:9001 16.14 -5.26 C:4001 20.39 -12.68 C:12 13.44 -9.36 C:15001 15.23 -14.32 C:11 14.84 -9.17 C:15002 15.59 -15.67 C:5 20.40 -9.87 C:13 13.18 -10.76 C:7 19.18 -7.75 C:10 15.45 -7.89 C:9 16.84 -7.58 C:2 16.84 -10.77 C:15 15.86 -11.98 C:3 17.95 -9.87 C:8 17.95 -8.46 C:4 19.18 -10.58 C:1 15.45 -10.45 49 1 -2 2 33 1 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 8 48 1 9 48 1 50 10 -1 11 33 2 12 34 2 13 35 2 14 36 2 15 37 2 16 39 2 42 17 -2 18 19 2 18 20 1 19 21 1 20 22 2 21 41 2 22 41 1 23 26 1 51 23 -1 24 42 1 24 44 1 25 43 1 25 52 1 47 26 -2 27 33 1 43 27 -2 28 34 1 44 28 -1 29 35 1 45 29 -1 30 36 1 46 30 -2 31 37 1 51 31 -2 32 39 1 32 48 1 38 40 2 38 43 1 39 41 1 40 45 1 40 52 1 42 51 1 44 50 1 45 46 1 46 50 1 47 49 1 47 52 1 52 48 -1 49 50 1 49 51 1', '52 56 H 17.95 -10.89 C 9.50 -11.20 C 20.42 -4.26 C 12.31 -5.92 C 16.46 -3.89 C 21.61 -13.38 C 12.46 -8.34 C 17.17 -12.48 C 14.87 -12.97 C 17.95 -7.05 O 10.86 -9.19 O 21.61 -6.37 O 11.98 -7.71 O 14.80 -5.68 O 19.17 -13.37 O 13.88 -13.96 O 21.61 -10.56 C 16.31 -18.37 C 17.30 -17.39 C 14.96 -18.01 C 16.94 -16.03 C 14.60 -16.66 C 18.77 -11.92 C 20.40 -8.46 C 14.44 -11.42 O 17.47 -12.02 O 11.92 -11.37 O 19.19 -6.35 O 14.57 -6.80 O 17.16 -6.21 O 20.39 -11.28 O 16.22 -13.33 C 10.76 -10.59 C 20.41 -5.66 C 13.19 -7.01 C 16.14 -5.26 C 20.39 -12.68 C 13.44 -9.36 C 15.23 -14.32 C 14.84 -9.17 C 15.59 -15.67 C 20.40 -9.87 C 13.18 -10.76 C 19.18 -7.75 C 15.45 -7.89 C 16.84 -7.58 C 16.84 -10.77 C 15.86 -11.98 C 17.95 -9.87 C 17.95 -8.46 C 19.18 -10.58 C 15.45 -10.45 49 1 -2 2 33 1 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 8 48 1 9 48 1 50 10 -1 11 33 2 12 34 2 13 35 2 14 36 2 15 37 2 16 39 2 42 17 -2 18 19 2 18 20 1 19 21 1 20 22 2 21 41 2 22 41 1 23 26 1 51 23 -1 24 42 1 24 44 1 25 43 1 25 52 1 47 26 -2 27 33 1 43 27 -2 28 34 1 44 28 -1 29 35 1 45 29 -1 30 36 1 46 30 -2 31 37 1 51 31 -2 32 39 1 32 48 1 38 40 2 38 43 1 39 41 1 40 45 1 40 52 1 42 51 1 44 50 1 45 46 1 46 50 1 47 49 1 47 52 1 52 48 -1 49 50 1 49 51 1', '52 56 H 17.95 -10.89 C:21 9.50 -11.20 C:21 20.42 -4.26 C:21 12.31 -5.92 C:21 16.46 -3.89 C:21 21.61 -13.38 C:13 12.46 -8.34 C:24 17.17 -12.48 C:25 14.87 -12.97 C:15 17.95 -7.05 O 10.86 -9.19 O 21.61 -6.37 O 11.98 -7.71 O 14.80 -5.68 O 19.17 -13.37 O 13.88 -13.96 O 21.61 -10.56 C:133 16.31 -18.37 C:128 17.30 -17.39 C:128 14.96 -18.01 C:129 16.94 -16.03 C:129 14.60 -16.66 C:73 18.77 -11.92 C:30 20.40 -8.46 C:36 14.44 -11.42 O 17.47 -12.02 O 11.92 -11.37 O 19.19 -6.35 O 14.57 -6.80 O 17.16 -6.21 O 20.39 -11.28 O 16.22 -13.33 C:171 10.76 -10.59 C:172 20.41 -5.66 C:169 13.19 -7.01 C:169 16.14 -5.26 C:169 20.39 -12.68 C:145 13.44 -9.36 C:166 15.23 -14.32 C:136 14.84 -9.17 C:133 15.59 -15.67 C:72 20.40 -9.87 C:81 13.18 -10.76 C:70 19.18 -7.75 C:69 15.45 -7.89 C:74 16.84 -7.58 C:80 16.84 -10.77 C:88 15.86 -11.98 C:51 17.95 -9.87 C:43 17.95 -8.46 C:94 19.18 -10.58 C:65 15.45 -10.45 49 1 -2 2 33 1 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 8 48 1 9 48 1 50 10 -1 11 33 2 12 34 2 13 35 2 14 36 2 15 37 2 16 39 2 42 17 -2 18 19 2 18 20 1 19 21 1 20 22 2 21 41 2 22 41 1 23 26 1 51 23 -1 24 42 1 24 44 1 25 43 1 25 52 1 47 26 -2 27 33 1 43 27 -2 28 34 1 44 28 -1 29 35 1 45 29 -1 30 36 1 46 30 -2 31 37 1 51 31 -2 32 39 1 32 48 1 38 40 2 38 43 1 39 41 1 40 45 1 40 52 1 42 51 1 44 50 1 45 46 1 46 50 1 47 49 1 47 52 1 52 48 -1 49 50 1 49 51 1', 'C37H46O14', 714.395, 'C', 'cpb02_781_1', 2026, '', '', '1', 1),
(2, 'Taxumairol H', '', 'Terpenoids', 'Diterpenoids', 'Abeo-Taxanes', '[H][C@@:3]12[C@@H:2]4O[CH2:20][C@:4]1(O)[C@@H:5](O)[CH2:6][C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]2([CH3:19])[C@@H:9](O[C:9001]([CH3:9002])=O)[C@H:10](O[C:10001]([CH3:10002])=O)[C:11]3=[C:12]([CH3:18])[C@@H:13](O)[CH2:14][C@:1]34[C:15]([CH3:17])([CH3:16])O[C:15001](=O)[c:15002]5[cH:15003][cH:15004][cH:15005][cH:15006][cH:15007]5', '[H][C@@]12[C@@H]4OC[C@]1(O)[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@]34C(C)(C)OC(=O)c5ccccc5', '[H][C@@:51]12[C@@H:81]4O[CH2:76][C@:83]1(O)[C@@H:74](O)[CH2:31][C@H:71](O[C:171]([CH3:21])=O)[C@@:44]2([CH3:15])[C@@H:74](O[C:169]([CH3:21])=O)[C@H:70](O[C:169]([CH3:21])=O)[C:133]3=[C:149]([CH3:13])[C@@H:79](O)[CH2:39][C@:65]34[C:88]([CH3:25])([CH3:24])O[C:166](=O)[c:133]5[cH:129][cH:128][cH:133][cH:128][cH:129]5', '46 50 H 17.95 -10.89 C:7002 20.42 -4.26 C:10002 12.31 -5.92 C:9002 16.46 -3.89 C:18 12.46 -8.34 C:16 17.17 -12.48 C:17 14.87 -12.97 C:19 17.95 -7.05 O 21.61 -6.37 O 11.98 -7.71 O 14.80 -5.68 O 13.88 -13.96 O 11.92 -11.37 O 21.61 -10.56 O 20.39 -11.28 C:15005 16.31 -18.37 C:15006 17.30 -17.39 C:15004 14.96 -18.01 C:15007 16.94 -16.03 C:15003 14.60 -16.66 C:20 18.77 -11.92 C:6 20.40 -8.46 C:14 14.44 -11.42 O 17.47 -12.02 O 19.19 -6.35 O 14.57 -6.80 O 17.16 -6.21 O 16.22 -13.33 C:7001 20.41 -5.66 C:10001 13.19 -7.01 C:9001 16.14 -5.26 C:12 13.44 -9.36 C:15001 15.23 -14.32 C:11 14.84 -9.17 C:15002 15.59 -15.67 C:13 13.18 -10.76 C:5 20.40 -9.87 C:7 19.18 -7.75 C:10 15.45 -7.89 C:9 16.84 -7.58 C:2 16.84 -10.77 C:15 15.86 -11.98 C:3 17.95 -9.87 C:8 17.95 -8.46 C:4 19.18 -10.58 C:1 15.45 -10.45 43 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 42 1 7 42 1 44 8 -1 9 29 2 10 30 2 11 31 2 12 33 2 36 13 -2 37 14 -2 45 15 -2 16 17 2 16 18 1 17 19 1 18 20 2 19 35 2 20 35 1 21 24 1 45 21 -1 22 37 1 22 38 1 23 36 1 23 46 1 41 24 -2 25 29 1 38 25 -1 26 30 1 39 26 -1 27 31 1 40 27 -2 28 33 1 28 42 1 32 34 2 32 36 1 33 35 1 34 39 1 34 46 1 37 45 1 38 44 1 39 40 1 40 44 1 41 43 1 41 46 1 46 42 -1 43 44 1 43 45 1', '46 50 H 17.95 -10.89 C 20.42 -4.26 C 12.31 -5.92 C 16.46 -3.89 C 12.46 -8.34 C 17.17 -12.48 C 14.87 -12.97 C 17.95 -7.05 O 21.61 -6.37 O 11.98 -7.71 O 14.80 -5.68 O 13.88 -13.96 O 11.92 -11.37 O 21.61 -10.56 O 20.39 -11.28 C 16.31 -18.37 C 17.30 -17.39 C 14.96 -18.01 C 16.94 -16.03 C 14.60 -16.66 C 18.77 -11.92 C 20.40 -8.46 C 14.44 -11.42 O 17.47 -12.02 O 19.19 -6.35 O 14.57 -6.80 O 17.16 -6.21 O 16.22 -13.33 C 20.41 -5.66 C 13.19 -7.01 C 16.14 -5.26 C 13.44 -9.36 C 15.23 -14.32 C 14.84 -9.17 C 15.59 -15.67 C 13.18 -10.76 C 20.40 -9.87 C 19.18 -7.75 C 15.45 -7.89 C 16.84 -7.58 C 16.84 -10.77 C 15.86 -11.98 C 17.95 -9.87 C 17.95 -8.46 C 19.18 -10.58 C 15.45 -10.45 43 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 42 1 7 42 1 44 8 -1 9 29 2 10 30 2 11 31 2 12 33 2 36 13 -2 37 14 -2 45 15 -2 16 17 2 16 18 1 17 19 1 18 20 2 19 35 2 20 35 1 21 24 1 45 21 -1 22 37 1 22 38 1 23 36 1 23 46 1 41 24 -2 25 29 1 38 25 -1 26 30 1 39 26 -1 27 31 1 40 27 -2 28 33 1 28 42 1 32 34 2 32 36 1 33 35 1 34 39 1 34 46 1 37 45 1 38 44 1 39 40 1 40 44 1 41 43 1 41 46 1 46 42 -1 43 44 1 43 45 1', '46 50 H 17.95 -10.89 C:21 20.42 -4.26 C:21 12.31 -5.92 C:21 16.46 -3.89 C:13 12.46 -8.34 C:24 17.17 -12.48 C:25 14.87 -12.97 C:15 17.95 -7.05 O 21.61 -6.37 O 11.98 -7.71 O 14.80 -5.68 O 13.88 -13.96 O 11.92 -11.37 O 21.61 -10.56 O 20.39 -11.28 C:133 16.31 -18.37 C:128 17.30 -17.39 C:128 14.96 -18.01 C:129 16.94 -16.03 C:129 14.60 -16.66 C:76 18.77 -11.92 C:31 20.40 -8.46 C:39 14.44 -11.42 O 17.47 -12.02 O 19.19 -6.35 O 14.57 -6.80 O 17.16 -6.21 O 16.22 -13.33 C:171 20.41 -5.66 C:169 13.19 -7.01 C:169 16.14 -5.26 C:149 13.44 -9.36 C:166 15.23 -14.32 C:133 14.84 -9.17 C:133 15.59 -15.67 C:79 13.18 -10.76 C:74 20.40 -9.87 C:71 19.18 -7.75 C:70 15.45 -7.89 C:74 16.84 -7.58 C:81 16.84 -10.77 C:88 15.86 -11.98 C:51 17.95 -9.87 C:44 17.95 -8.46 C:83 19.18 -10.58 C:65 15.45 -10.45 43 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 42 1 7 42 1 44 8 -1 9 29 2 10 30 2 11 31 2 12 33 2 36 13 -2 37 14 -2 45 15 -2 16 17 2 16 18 1 17 19 1 18 20 2 19 35 2 20 35 1 21 24 1 45 21 -1 22 37 1 22 38 1 23 36 1 23 46 1 41 24 -2 25 29 1 38 25 -1 26 30 1 39 26 -1 27 31 1 40 27 -2 28 33 1 28 42 1 32 34 2 32 36 1 33 35 1 34 39 1 34 46 1 37 45 1 38 44 1 39 40 1 40 44 1 41 43 1 41 46 1 46 42 -1 43 44 1 43 45 1', 'C33H42O12', 630.354, 'C', 'cpb02_781_2', 2026, '', '', '1', 1),
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(140, '4-epi-Palustric acid-9r,13r-endoperoxide', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[CH:14][C@:13]2([CH:15]([CH3:16])[CH3:17])[CH2:12][CH2:11][C@:9]1(OO2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[C:19](=O)O', '[H][C@@]34CCC1=C[C@]2(C(C)C)CC[C@]1(OO2)[C@@]3(C)CCC[C@]4(C)C(=O)O', '[H][C@@:44]34[CH2:20][CH2:25][C:145]1=[CH:126][C@:80]2([CH:32]([CH3:17])[CH3:17])[CH2:25][CH2:22][C@:81]1(OO2)[C@@:40]3([CH3:19])[CH2:32][CH2:19][CH2:38][C@:45]4([CH3:28])[C:183](=O)O', '25 28 H 14.28 -13.34 C:17 20.42 -8.88 C:16 19.18 -6.77 C:18 14.02 -14.20 C:20 14.28 -9.58 O 12.32 -15.48 O 10.68 -13.71 C:14 17.96 -10.30 C:2 11.83 -11.03 C:7 16.74 -12.43 C:3 11.83 -12.43 C:6 15.50 -13.14 C:1 13.05 -10.30 C:12 16.74 -8.20 C:11 15.50 -8.88 O 16.56 -8.89 O 16.90 -10.33 C:19 12.02 -14.11 C:8 16.74 -11.03 C:15 19.18 -8.20 C:4 13.05 -13.14 C:5 14.28 -12.43 C:10 14.28 -11.03 C:13 17.96 -8.88 C:9 15.50 -10.30 22 1 -2 2 20 1 3 20 1 21 4 -2 23 5 -1 6 18 2 7 18 1 8 19 2 8 24 1 9 11 1 9 13 1 10 12 1 10 19 1 11 21 1 12 22 1 13 23 1 14 15 1 14 24 1 15 25 1 16 17 1 24 16 -2 25 17 -2 21 18 -1 19 25 1 20 24 1 21 22 1 22 23 1 23 25 1', '25 28 H 14.28 -13.34 C 20.42 -8.88 C 19.18 -6.77 C 14.02 -14.20 C 14.28 -9.58 O 12.32 -15.48 O 10.68 -13.71 C 17.96 -10.30 C 11.83 -11.03 C 16.74 -12.43 C 11.83 -12.43 C 15.50 -13.14 C 13.05 -10.30 C 16.74 -8.20 C 15.50 -8.88 O 16.56 -8.89 O 16.90 -10.33 C 12.02 -14.11 C 16.74 -11.03 C 19.18 -8.20 C 13.05 -13.14 C 14.28 -12.43 C 14.28 -11.03 C 17.96 -8.88 C 15.50 -10.30 22 1 -2 2 20 1 3 20 1 21 4 -2 23 5 -1 6 18 2 7 18 1 8 19 2 8 24 1 9 11 1 9 13 1 10 12 1 10 19 1 11 21 1 12 22 1 13 23 1 14 15 1 14 24 1 15 25 1 16 17 1 24 16 -2 25 17 -2 21 18 -1 19 25 1 20 24 1 21 22 1 22 23 1 23 25 1', '25 28 H 14.28 -13.34 C:17 20.42 -8.88 C:17 19.18 -6.77 C:28 14.02 -14.20 C:19 14.28 -9.58 O 12.32 -15.48 O 10.68 -13.71 C:126 17.96 -10.30 C:19 11.83 -11.03 C:25 16.74 -12.43 C:38 11.83 -12.43 C:20 15.50 -13.14 C:32 13.05 -10.30 C:25 16.74 -8.20 C:22 15.50 -8.88 O 16.56 -8.89 O 16.90 -10.33 C:183 12.02 -14.11 C:145 16.74 -11.03 C:32 19.18 -8.20 C:45 13.05 -13.14 C:44 14.28 -12.43 C:40 14.28 -11.03 C:80 17.96 -8.88 C:81 15.50 -10.30 22 1 -2 2 20 1 3 20 1 21 4 -2 23 5 -1 6 18 2 7 18 1 8 19 2 8 24 1 9 11 1 9 13 1 10 12 1 10 19 1 11 21 1 12 22 1 13 23 1 14 15 1 14 24 1 15 25 1 16 17 1 24 16 -2 25 17 -2 21 18 -1 19 25 1 20 24 1 21 22 1 22 23 1 23 25 1', 'C20H30O4', 334.22, 'C', 'np98_907_6', 2147, '', '', '1', 1),
(141, 'Angustanoic acid D', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]34[CH2:6][CH2:7][C:8]1=[CH:14][C@:13]2([C:15]([CH3:16])([CH3:17])O)[CH2:12][CH2:11][C@:9]1(OO2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[C:19](=O)O', '[H][C@@]34CCC1=C[C@]2(C(C)(C)O)CC[C@]1(OO2)[C@@]3(C)CCC[C@]4(C)C(=O)O', '[H][C@@:44]34[CH2:20][CH2:25][C:145]1=[CH:126][C@:82]2([C:73]([CH3:25])([CH3:25])O)[CH2:24][CH2:22][C@:81]1(OO2)[C@@:40]3([CH3:19])[CH2:32][CH2:19][CH2:38][C@:45]4([CH3:28])[C:183](=O)O', '26 29 H 14.28 -13.34 C:17 20.42 -8.88 C:16 19.18 -6.77 C:18 14.02 -14.20 C:20 14.28 -9.58 O 12.32 -15.48 O 10.68 -13.71 O 20.41 -7.52 C:14 17.96 -10.30 C:2 11.83 -11.03 C:7 16.74 -12.43 C:3 11.83 -12.43 C:6 15.50 -13.14 C:1 13.05 -10.30 C:12 16.74 -8.20 C:11 15.50 -8.88 O 16.56 -8.89 O 16.90 -10.33 C:19 12.02 -14.11 C:8 16.74 -11.03 C:15 19.18 -8.20 C:5 14.28 -12.43 C:4 13.05 -13.14 C:10 14.28 -11.03 C:13 17.96 -8.88 C:9 15.50 -10.30 22 1 -2 2 21 1 3 21 1 23 4 -2 24 5 -1 6 19 2 7 19 1 8 21 1 9 20 2 9 25 1 10 12 1 10 14 1 11 13 1 11 20 1 12 23 1 13 22 1 14 24 1 15 16 1 15 25 1 16 26 1 17 18 1 25 17 -2 26 18 -2 23 19 -1 20 26 1 21 25 1 22 23 1 22 24 1 24 26 1', '26 29 H 14.28 -13.34 C 20.42 -8.88 C 19.18 -6.77 C 14.02 -14.20 C 14.28 -9.58 O 12.32 -15.48 O 10.68 -13.71 O 20.41 -7.52 C 17.96 -10.30 C 11.83 -11.03 C 16.74 -12.43 C 11.83 -12.43 C 15.50 -13.14 C 13.05 -10.30 C 16.74 -8.20 C 15.50 -8.88 O 16.56 -8.89 O 16.90 -10.33 C 12.02 -14.11 C 16.74 -11.03 C 19.18 -8.20 C 14.28 -12.43 C 13.05 -13.14 C 14.28 -11.03 C 17.96 -8.88 C 15.50 -10.30 22 1 -2 2 21 1 3 21 1 23 4 -2 24 5 -1 6 19 2 7 19 1 8 21 1 9 20 2 9 25 1 10 12 1 10 14 1 11 13 1 11 20 1 12 23 1 13 22 1 14 24 1 15 16 1 15 25 1 16 26 1 17 18 1 25 17 -2 26 18 -2 23 19 -1 20 26 1 21 25 1 22 23 1 22 24 1 24 26 1', '26 29 H 14.28 -13.34 C:25 20.42 -8.88 C:25 19.18 -6.77 C:28 14.02 -14.20 C:19 14.28 -9.58 O 12.32 -15.48 O 10.68 -13.71 O 20.41 -7.52 C:126 17.96 -10.30 C:19 11.83 -11.03 C:25 16.74 -12.43 C:38 11.83 -12.43 C:20 15.50 -13.14 C:32 13.05 -10.30 C:24 16.74 -8.20 C:22 15.50 -8.88 O 16.56 -8.89 O 16.90 -10.33 C:183 12.02 -14.11 C:145 16.74 -11.03 C:73 19.18 -8.20 C:44 14.28 -12.43 C:45 13.05 -13.14 C:40 14.28 -11.03 C:82 17.96 -8.88 C:81 15.50 -10.30 22 1 -2 2 21 1 3 21 1 23 4 -2 24 5 -1 6 19 2 7 19 1 8 21 1 9 20 2 9 25 1 10 12 1 10 14 1 11 13 1 11 20 1 12 23 1 13 22 1 14 24 1 15 16 1 15 25 1 16 26 1 17 18 1 25 17 -2 26 18 -2 23 19 -1 20 26 1 21 25 1 22 23 1 22 24 1 24 26 1', 'C20H30O5', 350.219, 'C', 'np98_907_7', 2147, '', '', '1', 1),
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(144, 'Angustanol', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([C:15]([CH3:17])([CH3:16])O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH2:19]O', '[H][C@@]23CCc1cc(C(C)(C)O)ccc1[C@@]2(C)CCC[C@]3(C)CO', '[H][C@@:51]23[CH2:19][CH2:31][c:135]1[cH:125][c:146]([C:72]([CH3:32])([CH3:32])O)[cH:122][cH:125][c:148]1[C@@:38]2([CH3:26])[CH2:39][CH2:19][CH2:35][C@:39]3([CH3:27])[CH2:65]O', '23 25 H 13.71 -14.05 C:16 18.66 -7.40 C:17 19.91 -9.54 C:18 13.44 -14.92 C:20 13.71 -10.26 O 10.08 -14.43 O 19.89 -8.17 C:12 16.19 -8.85 C:11 14.94 -9.54 C:14 17.42 -10.98 C:19 11.42 -14.83 C:2 11.23 -11.71 C:7 16.19 -13.13 C:3 11.23 -13.13 C:1 12.46 -10.98 C:6 14.94 -13.85 C:13 17.42 -9.54 C:8 16.19 -11.71 C:9 14.94 -10.98 C:15 18.66 -8.85 C:4 12.46 -13.85 C:5 13.71 -13.13 C:10 13.71 -11.71 22 1 -2 2 20 1 3 20 1 21 4 -2 23 5 -1 6 11 1 7 20 1 8 9 2 8 17 1 9 19 1 10 17 2 10 18 1 21 11 -1 12 14 1 12 15 1 13 16 1 13 18 1 14 21 1 15 23 1 16 22 1 17 20 1 18 19 2 19 23 1 21 22 1 22 23 1', '23 25 H 13.71 -14.05 C 18.66 -7.40 C 19.91 -9.54 C 13.44 -14.92 C 13.71 -10.26 O 10.08 -14.43 O 19.89 -8.17 C 16.19 -8.85 C 14.94 -9.54 C 17.42 -10.98 C 11.42 -14.83 C 11.23 -11.71 C 16.19 -13.13 C 11.23 -13.13 C 12.46 -10.98 C 14.94 -13.85 C 17.42 -9.54 C 16.19 -11.71 C 14.94 -10.98 C 18.66 -8.85 C 12.46 -13.85 C 13.71 -13.13 C 13.71 -11.71 22 1 -2 2 20 1 3 20 1 21 4 -2 23 5 -1 6 11 1 7 20 1 8 9 2 8 17 1 9 19 1 10 17 2 10 18 1 21 11 -1 12 14 1 12 15 1 13 16 1 13 18 1 14 21 1 15 23 1 16 22 1 17 20 1 18 19 2 19 23 1 21 22 1 22 23 1', '23 25 H 13.71 -14.05 C:32 18.66 -7.40 C:32 19.91 -9.54 C:27 13.44 -14.92 C:26 13.71 -10.26 O 10.08 -14.43 O 19.89 -8.17 C:122 16.19 -8.85 C:125 14.94 -9.54 C:125 17.42 -10.98 C:65 11.42 -14.83 C:19 11.23 -11.71 C:31 16.19 -13.13 C:35 11.23 -13.13 C:39 12.46 -10.98 C:19 14.94 -13.85 C:146 17.42 -9.54 C:135 16.19 -11.71 C:148 14.94 -10.98 C:72 18.66 -8.85 C:39 12.46 -13.85 C:51 13.71 -13.13 C:38 13.71 -11.71 22 1 -2 2 20 1 3 20 1 21 4 -2 23 5 -1 6 11 1 7 20 1 8 9 2 8 17 1 9 19 1 10 17 2 10 18 1 21 11 -1 12 14 1 12 15 1 13 16 1 13 18 1 14 21 1 15 23 1 16 22 1 17 20 1 18 19 2 19 23 1 21 22 1 22 23 1', 'C20H30O2', 302.221, 'C', 'np98_907_10', 2147, '', '', '1', 1),
(145, 'Angustanoic acid G', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([C:15]([CH3:17])=O)[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[C:19](=O)O', '[H][C@@]23CCc1cc(C(C)=O)ccc1[C@@]2(C)CCC[C@]3(C)C(=O)O', '[H][C@@:53]23[CH2:21][CH2:32][c:136]1[cH:129][c:135]([C:198]([CH3:27])=O)[cH:126][cH:126][c:154]1[C@@:38]2([CH3:23])[CH2:39][CH2:20][CH2:37][C@:44]3([CH3:29])[C:183](=O)O', '23 25 H 13.71 -14.05 C:17 19.91 -9.54 C:18 13.44 -14.92 C:20 13.71 -10.26 O 18.66 -7.40 O 11.72 -16.20 O 10.08 -14.43 C:12 16.19 -8.85 C:11 14.94 -9.54 C:14 17.42 -10.98 C:2 11.23 -11.71 C:7 16.19 -13.13 C:3 11.23 -13.13 C:1 12.46 -10.98 C:6 14.94 -13.85 C:15 18.66 -8.85 C:19 11.42 -14.83 C:13 17.42 -9.54 C:8 16.19 -11.71 C:9 14.94 -10.98 C:5 13.71 -13.13 C:4 12.46 -13.85 C:10 13.71 -11.71 21 1 -2 2 16 1 22 3 -2 23 4 -1 5 16 2 6 17 2 7 17 1 8 9 2 8 18 1 9 20 1 10 18 2 10 19 1 11 13 1 11 14 1 12 15 1 12 19 1 13 22 1 14 23 1 15 21 1 16 18 1 22 17 -1 19 20 2 20 23 1 21 22 1 21 23 1', '23 25 H 13.71 -14.05 C 19.91 -9.54 C 13.44 -14.92 C 13.71 -10.26 O 18.66 -7.40 O 11.72 -16.20 O 10.08 -14.43 C 16.19 -8.85 C 14.94 -9.54 C 17.42 -10.98 C 11.23 -11.71 C 16.19 -13.13 C 11.23 -13.13 C 12.46 -10.98 C 14.94 -13.85 C 18.66 -8.85 C 11.42 -14.83 C 17.42 -9.54 C 16.19 -11.71 C 14.94 -10.98 C 13.71 -13.13 C 12.46 -13.85 C 13.71 -11.71 21 1 -2 2 16 1 22 3 -2 23 4 -1 5 16 2 6 17 2 7 17 1 8 9 2 8 18 1 9 20 1 10 18 2 10 19 1 11 13 1 11 14 1 12 15 1 12 19 1 13 22 1 14 23 1 15 21 1 16 18 1 22 17 -1 19 20 2 20 23 1 21 22 1 21 23 1', '23 25 H 13.71 -14.05 C:27 19.91 -9.54 C:29 13.44 -14.92 C:23 13.71 -10.26 O 18.66 -7.40 O 11.72 -16.20 O 10.08 -14.43 C:126 16.19 -8.85 C:126 14.94 -9.54 C:129 17.42 -10.98 C:20 11.23 -11.71 C:32 16.19 -13.13 C:37 11.23 -13.13 C:39 12.46 -10.98 C:21 14.94 -13.85 C:198 18.66 -8.85 C:183 11.42 -14.83 C:135 17.42 -9.54 C:136 16.19 -11.71 C:154 14.94 -10.98 C:53 13.71 -13.13 C:44 12.46 -13.85 C:38 13.71 -11.71 21 1 -2 2 16 1 22 3 -2 23 4 -1 5 16 2 6 17 2 7 17 1 8 9 2 8 18 1 9 20 1 10 18 2 10 19 1 11 13 1 11 14 1 12 15 1 12 19 1 13 22 1 14 23 1 15 21 1 16 18 1 22 17 -1 19 20 2 20 23 1 21 22 1 21 23 1', 'C19H24O3', 300.209, 'C', 'np98_907_11', 2147, '', '', '1', 1),
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