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
(16283, '2-O-α-D-Glucopyranose-6''-yl-kallolide A', '', 'Terpenoids', 'Diterpenoids', 'Pseudopteranes', '[CH2:14]=[C:13]([CH3:15])[C@@H:1]3[CH2:12][CH2:11][C:10]1=[CH:9][C@@H:8](O[C:20]1=O)[C@@H:7]([C:17](=[CH2:18])[CH3:19])[c:6]2[cH:5][c:4]([CH3:16])[c:3](o2)[C@H:2]3O[CH2:106][C@H:105]4O[C@H:101](O)[C@H:102](O)[C@@H:103](O)[C@@H:104]4O', 'C=C(C)[C@@H]3CCC1=C[C@@H](OC1=O)[C@@H](C(=C)C)c2cc(C)c(o2)[C@H]3OC[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O', '[CH2:114]=[C:147]([CH3:18])[C@@H:49]3[CH2:35][CH2:23][C:138]1=[CH:150][C@@H:83](O[C:178]1=O)[C@@H:49]([C:144](=[CH2:115])[CH3:22])[c:154]2[cH:113][c:124]([CH3:10])[c:149](o2)[C@H:75]3O[CH2:69][C@H:72]4O[C@H:94](O)[C@H:75](O)[C@@H:74](O)[C@@H:73]4O', '35 38 C:14 19.57 -12.27 C:18 11.34 -8.78 C:15 18.37 -14.35 C:19 10.12 -10.87 C:16 16.37 -7.70 O 12.40 -16.10 O 21.99 -6.70 O 24.42 -8.12 O 24.42 -10.91 O 21.98 -12.30 C:9 13.69 -13.01 C:5 14.17 -8.84 C:11 15.50 -14.35 C:12 15.94 -13.01 C:106 19.57 -10.89 O 18.37 -10.18 O 11.86 -13.73 O 20.79 -8.79 O 14.87 -10.97 C:13 18.37 -13.01 C:17 11.34 -10.18 C:20 12.78 -14.75 C:10 14.11 -14.35 C:4 15.50 -8.84 C:6 13.69 -10.18 C:3 15.94 -10.18 C:101 21.99 -8.10 C:8 12.54 -12.27 C:102 23.21 -8.81 C:103 23.21 -10.21 C:104 21.99 -10.90 C:105 20.79 -10.19 C:1 17.16 -12.27 C:2 17.16 -10.87 C:7 12.54 -10.87 1 20 2 2 21 2 3 20 1 4 21 1 5 24 1 6 22 2 27 7 -2 29 8 -2 30 9 -1 31 10 -2 11 23 2 11 28 1 12 24 1 12 25 2 13 14 1 13 23 1 14 33 1 15 16 1 32 15 -1 34 16 -1 17 22 1 28 17 -1 18 27 1 18 32 1 19 25 1 19 26 1 33 20 -2 35 21 -1 22 23 1 24 26 2 25 35 1 26 34 1 27 29 1 28 35 1 29 30 1 30 31 1 31 32 1 33 34 1', '35 38 C 19.57 -12.27 C 11.34 -8.78 C 18.37 -14.35 C 10.12 -10.87 C 16.37 -7.70 O 12.40 -16.10 O 21.99 -6.70 O 24.42 -8.12 O 24.42 -10.91 O 21.98 -12.30 C 13.69 -13.01 C 14.17 -8.84 C 15.50 -14.35 C 15.94 -13.01 C 19.57 -10.89 O 18.37 -10.18 O 11.86 -13.73 O 20.79 -8.79 O 14.87 -10.97 C 18.37 -13.01 C 11.34 -10.18 C 12.78 -14.75 C 14.11 -14.35 C 15.50 -8.84 C 13.69 -10.18 C 15.94 -10.18 C 21.99 -8.10 C 12.54 -12.27 C 23.21 -8.81 C 23.21 -10.21 C 21.99 -10.90 C 20.79 -10.19 C 17.16 -12.27 C 17.16 -10.87 C 12.54 -10.87 1 20 2 2 21 2 3 20 1 4 21 1 5 24 1 6 22 2 27 7 -2 29 8 -2 30 9 -1 31 10 -2 11 23 2 11 28 1 12 24 1 12 25 2 13 14 1 13 23 1 14 33 1 15 16 1 32 15 -1 34 16 -1 17 22 1 28 17 -1 18 27 1 18 32 1 19 25 1 19 26 1 33 20 -2 35 21 -1 22 23 1 24 26 2 25 35 1 26 34 1 27 29 1 28 35 1 29 30 1 30 31 1 31 32 1 33 34 1', '35 38 C:114 19.57 -12.27 C:115 11.34 -8.78 C:18 18.37 -14.35 C:22 10.12 -10.87 C:10 16.37 -7.70 O 12.40 -16.10 O 21.99 -6.70 O 24.42 -8.12 O 24.42 -10.91 O 21.98 -12.30 C:150 13.69 -13.01 C:113 14.17 -8.84 C:23 15.50 -14.35 C:35 15.94 -13.01 C:69 19.57 -10.89 O 18.37 -10.18 O 11.86 -13.73 O 20.79 -8.79 O 14.87 -10.97 C:147 18.37 -13.01 C:144 11.34 -10.18 C:178 12.78 -14.75 C:138 14.11 -14.35 C:124 15.50 -8.84 C:154 13.69 -10.18 C:149 15.94 -10.18 C:94 21.99 -8.10 C:83 12.54 -12.27 C:75 23.21 -8.81 C:74 23.21 -10.21 C:73 21.99 -10.90 C:72 20.79 -10.19 C:49 17.16 -12.27 C:75 17.16 -10.87 C:49 12.54 -10.87 1 20 2 2 21 2 3 20 1 4 21 1 5 24 1 6 22 2 27 7 -2 29 8 -2 30 9 -1 31 10 -2 11 23 2 11 28 1 12 24 1 12 25 2 13 14 1 13 23 1 14 33 1 15 16 1 32 15 -1 34 16 -1 17 22 1 28 17 -1 18 27 1 18 32 1 19 25 1 19 26 1 33 20 -2 35 21 -1 22 23 1 24 26 2 25 35 1 26 34 1 27 29 1 28 35 1 29 30 1 30 31 1 31 32 1 33 34 1', 'C26H34O9', 490.273, 'C', 'jo00_3192_7b', 4073, '', '', '1', 45, NULL, NULL),
(16284, 'Isokallolide A', '', 'Terpenoids', 'Diterpenoids', 'Pseudopteranes', '[CH2:14]=[C:13]([CH3:15])[C@@H:1]3[CH2:12][CH2:11][C:10]1=[CH:9][C@@H:8](O[C:20]1=O)[C:7](=[C:17]([CH3:18])[CH3:19])[c:6]2[cH:5][c:4]([CH3:16])[c:3](o2)[C@H:2]3O', 'C=C(C)[C@@H]3CCC1=C[C@@H](OC1=O)C(=C(C)C)c2cc(C)c(o2)[C@H]3O', '[CH2:117]=[C:144]([CH3:17])[C@@H:50]3[CH2:33][CH2:22][C:137]1=[CH:148][C@@H:79](O[C:176]1=O)[C:143](=[C:120]([CH3:23])[CH3:21])[c:150]2[cH:113][c:120]([CH3:10])[c:148](o2)[C@H:65]3O', '24 26 C:14 20.85 -10.98 C:15 19.65 -13.06 C:18 12.62 -7.49 C:19 11.41 -9.58 C:16 17.65 -6.41 O 13.68 -14.81 O 19.65 -8.89 C:9 14.97 -11.72 C:5 15.45 -7.55 C:11 16.78 -13.06 C:12 17.22 -11.72 O 13.14 -12.44 O 16.15 -9.68 C:13 19.65 -11.72 C:17 12.62 -8.89 C:20 14.06 -13.46 C:10 15.39 -13.06 C:7 13.82 -9.58 C:4 16.78 -7.55 C:6 14.97 -8.89 C:3 17.22 -8.89 C:8 13.82 -10.98 C:2 18.44 -9.58 C:1 18.44 -10.98 1 14 2 2 14 1 3 15 1 4 15 1 5 19 1 6 16 2 23 7 -1 8 17 2 8 22 1 9 19 1 9 20 2 10 11 1 10 17 1 11 24 1 12 16 1 22 12 -1 13 20 1 13 21 1 24 14 -2 15 18 2 16 17 1 18 20 1 18 22 1 19 21 2 21 23 1 23 24 1', '24 26 C 20.85 -10.98 C 19.65 -13.06 C 12.62 -7.49 C 11.41 -9.58 C 17.65 -6.41 O 13.68 -14.81 O 19.65 -8.89 C 14.97 -11.72 C 15.45 -7.55 C 16.78 -13.06 C 17.22 -11.72 O 13.14 -12.44 O 16.15 -9.68 C 19.65 -11.72 C 12.62 -8.89 C 14.06 -13.46 C 15.39 -13.06 C 13.82 -9.58 C 16.78 -7.55 C 14.97 -8.89 C 17.22 -8.89 C 13.82 -10.98 C 18.44 -9.58 C 18.44 -10.98 1 14 2 2 14 1 3 15 1 4 15 1 5 19 1 6 16 2 23 7 -1 8 17 2 8 22 1 9 19 1 9 20 2 10 11 1 10 17 1 11 24 1 12 16 1 22 12 -1 13 20 1 13 21 1 24 14 -2 15 18 2 16 17 1 18 20 1 18 22 1 19 21 2 21 23 1 23 24 1', '24 26 C:117 20.85 -10.98 C:17 19.65 -13.06 C:23 12.62 -7.49 C:21 11.41 -9.58 C:10 17.65 -6.41 O 13.68 -14.81 O 19.65 -8.89 C:148 14.97 -11.72 C:113 15.45 -7.55 C:22 16.78 -13.06 C:33 17.22 -11.72 O 13.14 -12.44 O 16.15 -9.68 C:144 19.65 -11.72 C:120 12.62 -8.89 C:176 14.06 -13.46 C:137 15.39 -13.06 C:143 13.82 -9.58 C:120 16.78 -7.55 C:150 14.97 -8.89 C:148 17.22 -8.89 C:79 13.82 -10.98 C:65 18.44 -9.58 C:50 18.44 -10.98 1 14 2 2 14 1 3 15 1 4 15 1 5 19 1 6 16 2 23 7 -1 8 17 2 8 22 1 9 19 1 9 20 2 10 11 1 10 17 1 11 24 1 12 16 1 22 12 -1 13 20 1 13 21 1 24 14 -2 15 18 2 16 17 1 18 20 1 18 22 1 19 21 2 21 23 1 23 24 1', 'C20H24O4', 328.212, 'C', 'jo00_3192_8', 4073, '', 'Pseudopterogorgia bipinnata', '1', 45, NULL, NULL),
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(16286, '2-O-Methyl-isokallolide A', '', 'Terpenoids', 'Diterpenoids', 'Pseudopteranes', '[CH2:14]=[C:13]([CH3:15])[C@@H:1]3[CH2:12][CH2:11][C:10]1=[CH:9][C@@H:8](O[C:20]1=O)[C:7](=[C:17]([CH3:19])[CH3:18])[c:6]2[cH:5][c:4]([CH3:16])[c:3](o2)[C@H:2]3O[CH3:2001]', 'C=C(C)[C@@H]3CCC1=C[C@@H](OC1=O)C(=C(C)C)c2cc(C)c(o2)[C@H]3OC', '[CH2:114]=[C:145]([CH3:18])[C@@H:47]3[CH2:34][CH2:22][C:138]1=[CH:147][C@@H:79](O[C:175]1=O)[C:142](=[C:121]([CH3:21])[CH3:23])[c:150]2[cH:113][c:121]([CH3:10])[c:146](o2)[C@H:74]3O[CH3:56]', '25 27 C:14 20.85 -10.98 C:2001 20.86 -9.60 C:15 19.65 -13.06 C:19 11.41 -9.58 C:18 12.62 -7.49 C:16 17.65 -6.41 O 13.68 -14.81 C:9 14.97 -11.72 C:5 15.45 -7.55 C:11 16.78 -13.06 C:12 17.22 -11.72 O 19.65 -8.89 O 13.14 -12.44 O 16.15 -9.68 C:13 19.65 -11.72 C:17 12.62 -8.89 C:20 14.06 -13.46 C:10 15.39 -13.06 C:7 13.82 -9.58 C:4 16.78 -7.55 C:6 14.97 -8.89 C:3 17.22 -8.89 C:8 13.82 -10.98 C:1 18.44 -10.98 C:2 18.44 -9.58 1 15 2 2 12 1 3 15 1 4 16 1 5 16 1 6 20 1 7 17 2 8 18 2 8 23 1 9 20 1 9 21 2 10 11 1 10 18 1 11 24 1 25 12 -1 13 17 1 23 13 -1 14 21 1 14 22 1 24 15 -2 16 19 2 17 18 1 19 21 1 19 23 1 20 22 2 22 25 1 24 25 1', '25 27 C 20.85 -10.98 C 20.86 -9.60 C 19.65 -13.06 C 11.41 -9.58 C 12.62 -7.49 C 17.65 -6.41 O 13.68 -14.81 C 14.97 -11.72 C 15.45 -7.55 C 16.78 -13.06 C 17.22 -11.72 O 19.65 -8.89 O 13.14 -12.44 O 16.15 -9.68 C 19.65 -11.72 C 12.62 -8.89 C 14.06 -13.46 C 15.39 -13.06 C 13.82 -9.58 C 16.78 -7.55 C 14.97 -8.89 C 17.22 -8.89 C 13.82 -10.98 C 18.44 -10.98 C 18.44 -9.58 1 15 2 2 12 1 3 15 1 4 16 1 5 16 1 6 20 1 7 17 2 8 18 2 8 23 1 9 20 1 9 21 2 10 11 1 10 18 1 11 24 1 25 12 -1 13 17 1 23 13 -1 14 21 1 14 22 1 24 15 -2 16 19 2 17 18 1 19 21 1 19 23 1 20 22 2 22 25 1 24 25 1', '25 27 C:114 20.85 -10.98 C:56 20.86 -9.60 C:18 19.65 -13.06 C:21 11.41 -9.58 C:23 12.62 -7.49 C:10 17.65 -6.41 O 13.68 -14.81 C:147 14.97 -11.72 C:113 15.45 -7.55 C:22 16.78 -13.06 C:34 17.22 -11.72 O 19.65 -8.89 O 13.14 -12.44 O 16.15 -9.68 C:145 19.65 -11.72 C:121 12.62 -8.89 C:175 14.06 -13.46 C:138 15.39 -13.06 C:142 13.82 -9.58 C:121 16.78 -7.55 C:150 14.97 -8.89 C:146 17.22 -8.89 C:79 13.82 -10.98 C:47 18.44 -10.98 C:74 18.44 -9.58 1 15 2 2 12 1 3 15 1 4 16 1 5 16 1 6 20 1 7 17 2 8 18 2 8 23 1 9 20 1 9 21 2 10 11 1 10 18 1 11 24 1 25 12 -1 13 17 1 23 13 -1 14 21 1 14 22 1 24 15 -2 16 19 2 17 18 1 19 21 1 19 23 1 20 22 2 22 25 1 24 25 1', 'C21H26O4', 342.222, 'C', 'jo00_3192_10', 4073, '', 'Pseudopterogorgia bipinnata', '1', 45, NULL, NULL),
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(16298, 'Nuttingin C', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:19][C:7](=[CH:6][CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]n1[cH:108]n[c:104]2[c:105]1[C:106](=O)N([CH3:111])[CH2:102]N2[CH3:110])[CH2:8][CH2:9][CH:10]=[C:11]([CH3:18])[CH2:12][C:13](=O)[CH2:14][CH:15]([CH3:16])[CH3:17]', 'CC(=CCCC(C)=CCn1cnc2c1C(=O)N(C)CN2C)CCC=C(C)CC(=O)CC(C)C', '[CH3:16][C:130](=[CH:125][CH2:27][CH2:40][C:143]([CH3:17])=[CH:119][CH2:45]n1[cH:139]n[c:158]2[c:107]1[C:161](=O)N([CH3:32])[CH2:71]N2[CH3:35])[CH2:40][CH2:40][CH:130]=[C:136]([CH3:17])[CH2:55][C:209](=O)[CH2:51][CH:25]([CH3:23])[CH3:23]', '33 34 C:19 16.07 -8.33 C:20 20.93 -8.33 C:18 11.22 -8.33 C:16 5.18 -10.41 C:17 6.41 -8.33 C:111 29.35 -10.34 C:110 26.92 -14.57 O 8.81 -8.33 O 26.92 -9.01 C:6 17.26 -10.41 C:10 12.45 -10.41 C:2 22.11 -10.41 C:108 23.49 -11.87 C:5 18.48 -9.70 C:9 13.66 -9.70 C:1 23.31 -9.70 C:8 14.89 -10.41 C:4 19.71 -10.41 C:12 10.01 -10.41 C:14 7.62 -10.41 C:102 28.14 -12.47 N 24.38 -12.93 C:7 16.07 -9.70 C:3 20.93 -9.70 C:11 11.22 -9.70 C:13 8.81 -9.70 C:106 26.92 -10.41 C:104 25.70 -12.47 C:105 25.70 -11.07 C:15 6.41 -9.70 N 28.14 -11.07 N 26.92 -13.17 N 24.38 -10.61 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 15 1 11 25 2 12 16 1 12 24 2 13 22 2 13 33 1 14 18 1 15 17 1 16 33 1 17 23 1 18 24 1 19 25 1 19 26 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', '33 34 C 16.07 -8.33 C 20.93 -8.33 C 11.22 -8.33 C 5.18 -10.41 C 6.41 -8.33 C 29.35 -10.34 C 26.92 -14.57 O 8.81 -8.33 O 26.92 -9.01 C 17.26 -10.41 C 12.45 -10.41 C 22.11 -10.41 C 23.49 -11.87 C 18.48 -9.70 C 13.66 -9.70 C 23.31 -9.70 C 14.89 -10.41 C 19.71 -10.41 C 10.01 -10.41 C 7.62 -10.41 C 28.14 -12.47 N 24.38 -12.93 C 16.07 -9.70 C 20.93 -9.70 C 11.22 -9.70 C 8.81 -9.70 C 26.92 -10.41 C 25.70 -12.47 C 25.70 -11.07 C 6.41 -9.70 N 28.14 -11.07 N 26.92 -13.17 N 24.38 -10.61 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 15 1 11 25 2 12 16 1 12 24 2 13 22 2 13 33 1 14 18 1 15 17 1 16 33 1 17 23 1 18 24 1 19 25 1 19 26 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', '33 34 C:16 16.07 -8.33 C:17 20.93 -8.33 C:17 11.22 -8.33 C:23 5.18 -10.41 C:23 6.41 -8.33 C:32 29.35 -10.34 C:35 26.92 -14.57 O 8.81 -8.33 O 26.92 -9.01 C:125 17.26 -10.41 C:130 12.45 -10.41 C:119 22.11 -10.41 C:139 23.49 -11.87 C:27 18.48 -9.70 C:40 13.66 -9.70 C:45 23.31 -9.70 C:40 14.89 -10.41 C:40 19.71 -10.41 C:55 10.01 -10.41 C:51 7.62 -10.41 C:71 28.14 -12.47 N 24.38 -12.93 C:130 16.07 -9.70 C:143 20.93 -9.70 C:136 11.22 -9.70 C:209 8.81 -9.70 C:161 26.92 -10.41 C:158 25.70 -12.47 C:107 25.70 -11.07 C:25 6.41 -9.70 N 28.14 -11.07 N 26.92 -13.17 N 24.38 -10.61 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 15 1 11 25 2 12 16 1 12 24 2 13 22 2 13 33 1 14 18 1 15 17 1 16 33 1 17 23 1 18 24 1 19 25 1 19 26 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', 'C27H42N4O2', 454.315, 'C', 'np07_1104_3', 4077, '', 'Euplexaura nuttingi, inhibitory activity against both K562 and UT7 tumor cell', '1', 45, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16299, 'Nuttingin D', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:19][C:7](=[CH:6][CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]n1[cH:108]n[c:104]2[c:105]1[C:106](=O)N([CH3:111])[CH2:102]N2[CH3:110])[CH2:8][CH2:9][CH2:10][C:11]([CH3:18])=[CH:12][C:13](=O)[CH2:14][CH:15]([CH3:17])[CH3:16]', 'CC(=CCCC(C)=CCn1cnc2c1C(=O)N(C)CN2C)CCCC(C)=CC(=O)CC(C)C', '[CH3:16][C:135](=[CH:125][CH2:26][CH2:40][C:143]([CH3:17])=[CH:119][CH2:45]n1[cH:139]n[c:158]2[c:107]1[C:161](=O)N([CH3:32])[CH2:71]N2[CH3:35])[CH2:41][CH2:26][CH2:33][C:158]([CH3:19])=[CH:124][C:200](=O)[CH2:53][CH:25]([CH3:23])[CH3:23]', '33 34 C:19 16.07 -8.33 C:20 20.93 -8.33 C:18 11.22 -8.33 C:17 6.41 -8.33 C:16 5.18 -10.41 C:111 29.35 -10.34 C:110 26.92 -14.57 O 8.81 -8.33 O 26.92 -9.01 C:6 17.26 -10.41 C:2 22.11 -10.41 C:12 10.01 -10.41 C:108 23.49 -11.87 C:5 18.48 -9.70 C:9 13.66 -9.70 C:1 23.31 -9.70 C:4 19.71 -10.41 C:8 14.89 -10.41 C:10 12.45 -10.41 C:14 7.62 -10.41 C:102 28.14 -12.47 N 24.38 -12.93 C:7 16.07 -9.70 C:3 20.93 -9.70 C:11 11.22 -9.70 C:13 8.81 -9.70 C:106 26.92 -10.41 C:104 25.70 -12.47 C:105 25.70 -11.07 C:15 6.41 -9.70 N 28.14 -11.07 N 26.92 -13.17 N 24.38 -10.61 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 16 1 11 24 2 12 25 2 12 26 1 13 22 2 13 33 1 14 17 1 15 18 1 15 19 1 16 33 1 17 24 1 18 23 1 19 25 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', '33 34 C 16.07 -8.33 C 20.93 -8.33 C 11.22 -8.33 C 6.41 -8.33 C 5.18 -10.41 C 29.35 -10.34 C 26.92 -14.57 O 8.81 -8.33 O 26.92 -9.01 C 17.26 -10.41 C 22.11 -10.41 C 10.01 -10.41 C 23.49 -11.87 C 18.48 -9.70 C 13.66 -9.70 C 23.31 -9.70 C 19.71 -10.41 C 14.89 -10.41 C 12.45 -10.41 C 7.62 -10.41 C 28.14 -12.47 N 24.38 -12.93 C 16.07 -9.70 C 20.93 -9.70 C 11.22 -9.70 C 8.81 -9.70 C 26.92 -10.41 C 25.70 -12.47 C 25.70 -11.07 C 6.41 -9.70 N 28.14 -11.07 N 26.92 -13.17 N 24.38 -10.61 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 16 1 11 24 2 12 25 2 12 26 1 13 22 2 13 33 1 14 17 1 15 18 1 15 19 1 16 33 1 17 24 1 18 23 1 19 25 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', '33 34 C:16 16.07 -8.33 C:17 20.93 -8.33 C:19 11.22 -8.33 C:23 6.41 -8.33 C:23 5.18 -10.41 C:32 29.35 -10.34 C:35 26.92 -14.57 O 8.81 -8.33 O 26.92 -9.01 C:125 17.26 -10.41 C:119 22.11 -10.41 C:124 10.01 -10.41 C:139 23.49 -11.87 C:26 18.48 -9.70 C:26 13.66 -9.70 C:45 23.31 -9.70 C:40 19.71 -10.41 C:41 14.89 -10.41 C:33 12.45 -10.41 C:53 7.62 -10.41 C:71 28.14 -12.47 N 24.38 -12.93 C:135 16.07 -9.70 C:143 20.93 -9.70 C:158 11.22 -9.70 C:200 8.81 -9.70 C:161 26.92 -10.41 C:158 25.70 -12.47 C:107 25.70 -11.07 C:25 6.41 -9.70 N 28.14 -11.07 N 26.92 -13.17 N 24.38 -10.61 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 16 1 11 24 2 12 25 2 12 26 1 13 22 2 13 33 1 14 17 1 15 18 1 15 19 1 16 33 1 17 24 1 18 23 1 19 25 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', 'C27H42N4O2', 454.315, 'C', 'np07_1104_4', 4077, '', 'Euplexaura nuttingi, inhibitory activity against both K562 and UT7 tumor cell', '1', 45, NULL, NULL),
(16300, 'Nuttingin E', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:19][C:7](=[CH:6][CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]n1[cH:108]n[c:104]2[c:105]1[C:106](=O)N([CH3:111])[CH2:102]N2[CH3:110])[CH2:8][CH2:9][CH2:10][C:11]([CH3:18])=[CH:12][C:13](=O)[CH2:14][CH:15]([CH3:16])[CH3:17]', 'CC(=CCCC(C)=CCn1cnc2c1C(=O)N(C)CN2C)CCCC(C)=CC(=O)CC(C)C', '[CH3:16][C:136](=[CH:125][CH2:27][CH2:40][C:143]([CH3:16])=[CH:119][CH2:45]n1[cH:139]n[c:158]2[c:107]1[C:161](=O)N([CH3:32])[CH2:71]N2[CH3:35])[CH2:40][CH2:27][CH2:34][C:136]([CH3:26])=[CH:125][C:201](=O)[CH2:54][CH:26]([CH3:23])[CH3:23]', '33 34 C:19 14.29 -8.31 C:20 19.16 -8.31 C:18 9.43 -8.31 C:16 10.63 -14.57 C:17 8.22 -14.57 C:111 27.52 -10.31 C:110 25.11 -14.57 O 7.00 -12.47 O 25.11 -8.98 C:6 15.48 -10.38 C:2 20.34 -10.38 C:12 8.22 -10.38 C:108 21.72 -11.84 C:5 16.71 -9.67 C:9 11.89 -9.67 C:1 21.54 -9.67 C:4 17.95 -10.38 C:8 13.11 -10.38 C:10 10.63 -10.38 C:14 9.43 -12.47 C:102 26.33 -12.47 N 22.61 -12.90 C:7 14.29 -9.67 C:3 19.16 -9.67 C:11 9.43 -9.67 C:13 8.22 -11.78 C:106 25.11 -10.38 C:104 23.92 -12.47 C:105 23.92 -11.04 C:15 9.43 -13.88 N 26.33 -11.04 N 25.11 -13.13 N 22.61 -10.58 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 16 1 11 24 2 12 25 2 12 26 1 13 22 2 13 33 1 14 17 1 15 18 1 15 19 1 16 33 1 17 24 1 18 23 1 19 25 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', '33 34 C 14.29 -8.31 C 19.16 -8.31 C 9.43 -8.31 C 10.63 -14.57 C 8.22 -14.57 C 27.52 -10.31 C 25.11 -14.57 O 7.00 -12.47 O 25.11 -8.98 C 15.48 -10.38 C 20.34 -10.38 C 8.22 -10.38 C 21.72 -11.84 C 16.71 -9.67 C 11.89 -9.67 C 21.54 -9.67 C 17.95 -10.38 C 13.11 -10.38 C 10.63 -10.38 C 9.43 -12.47 C 26.33 -12.47 N 22.61 -12.90 C 14.29 -9.67 C 19.16 -9.67 C 9.43 -9.67 C 8.22 -11.78 C 25.11 -10.38 C 23.92 -12.47 C 23.92 -11.04 C 9.43 -13.88 N 26.33 -11.04 N 25.11 -13.13 N 22.61 -10.58 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 16 1 11 24 2 12 25 2 12 26 1 13 22 2 13 33 1 14 17 1 15 18 1 15 19 1 16 33 1 17 24 1 18 23 1 19 25 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', '33 34 C:16 14.29 -8.31 C:16 19.16 -8.31 C:26 9.43 -8.31 C:23 10.63 -14.57 C:23 8.22 -14.57 C:32 27.52 -10.31 C:35 25.11 -14.57 O 7.00 -12.47 O 25.11 -8.98 C:125 15.48 -10.38 C:119 20.34 -10.38 C:125 8.22 -10.38 C:139 21.72 -11.84 C:27 16.71 -9.67 C:27 11.89 -9.67 C:45 21.54 -9.67 C:40 17.95 -10.38 C:40 13.11 -10.38 C:34 10.63 -10.38 C:54 9.43 -12.47 C:71 26.33 -12.47 N 22.61 -12.90 C:136 14.29 -9.67 C:143 19.16 -9.67 C:136 9.43 -9.67 C:201 8.22 -11.78 C:161 25.11 -10.38 C:158 23.92 -12.47 C:107 23.92 -11.04 C:26 9.43 -13.88 N 26.33 -11.04 N 25.11 -13.13 N 22.61 -10.58 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 32 1 8 26 2 9 27 2 10 14 1 10 23 2 11 16 1 11 24 2 12 25 2 12 26 1 13 22 2 13 33 1 14 17 1 15 18 1 15 19 1 16 33 1 17 24 1 18 23 1 19 25 1 20 26 1 20 30 1 21 31 1 21 32 1 22 28 1 27 29 1 27 31 1 28 29 2 28 32 1 29 33 1', 'C27H42N4O2', 454.315, 'C+C', 'np07_1104_5', 4077, '', 'Euplexaura nuttingi, inhibitory activity against both K562 and UT7 tumor cell', '1', 45, NULL, NULL),
(16301, 'Nuttingin F', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:20][C:3](=[CH:2][CH2:1]n1[cH:108]n[c:104]2[c:105]1[c:106](=O)[n+]([CH3:111])[cH:102]n2[CH3:110])[CH2:4][CH2:5][CH:6]=[C:7]([CH3:19])[CH2:8][CH2:9][CH2:10][C:11]([CH3:18])=[CH:12][C:13](=O)[CH2:14][CH:15]([CH3:17])[CH3:16]', 'CC(=CCn1cnc2c1c(=O)n(C)cn2C)CCC=C(C)CCCC(C)=CC(=O)CC(C)C', '[CH3:17][C:142](=[CH:119][CH2:45]n1[cH:146]n[c:147]2[c:114]1[c:152](=O)[n+]([CH3:36])[cH:152]n2[CH3:38])[CH2:40][CH2:26][CH:125]=[C:135]([CH3:16])[CH2:40][CH2:26][CH2:39][C:158]([CH3:19])=[CH:124][C:200](=O)[CH2:53][CH:26]([CH3:23])[CH3:23]', '33 34 C:20 20.93 -8.33 C:19 16.07 -8.33 C:18 11.22 -8.33 C:17 6.41 -8.33 C:16 5.18 -10.41 C:110 26.92 -14.57 C:111 29.35 -10.34 O 8.81 -8.33 O 26.92 -9.01 C:6 17.26 -10.41 C:2 22.11 -10.41 C:12 10.01 -10.41 C:108 23.49 -11.87 C:102 28.14 -12.47 C:5 18.48 -9.70 C:9 13.66 -9.70 C:1 23.31 -9.70 C:4 19.71 -10.41 C:8 14.89 -10.41 C:10 12.45 -10.41 C:14 7.62 -10.41 N 24.38 -12.93 C:3 20.93 -9.70 C:7 16.07 -9.70 C:11 11.22 -9.70 C:13 8.81 -9.70 C:106 26.92 -10.41 C:104 25.70 -12.47 C:105 25.70 -11.07 C:15 6.41 -9.70 N 26.92 -13.17 N 24.38 -10.61 N+ 28.14 -11.07 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 33 1 8 26 2 9 27 2 10 15 1 10 24 2 11 17 1 11 23 2 12 25 2 12 26 1 13 22 2 13 32 1 14 31 1 14 33 2 15 18 1 16 19 1 16 20 1 17 32 1 18 23 1 19 24 1 20 25 1 21 26 1 21 30 1 22 28 1 27 29 1 27 33 1 28 29 2 28 31 1 29 32 1', '33 34 C 20.93 -8.33 C 16.07 -8.33 C 11.22 -8.33 C 6.41 -8.33 C 5.18 -10.41 C 26.92 -14.57 C 29.35 -10.34 O 8.81 -8.33 O 26.92 -9.01 C 17.26 -10.41 C 22.11 -10.41 C 10.01 -10.41 C 23.49 -11.87 C 28.14 -12.47 C 18.48 -9.70 C 13.66 -9.70 C 23.31 -9.70 C 19.71 -10.41 C 14.89 -10.41 C 12.45 -10.41 C 7.62 -10.41 N 24.38 -12.93 C 20.93 -9.70 C 16.07 -9.70 C 11.22 -9.70 C 8.81 -9.70 C 26.92 -10.41 C 25.70 -12.47 C 25.70 -11.07 C 6.41 -9.70 N 26.92 -13.17 N 24.38 -10.61 N+ 28.14 -11.07 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 33 1 8 26 2 9 27 2 10 15 1 10 24 2 11 17 1 11 23 2 12 25 2 12 26 1 13 22 2 13 32 1 14 31 1 14 33 2 15 18 1 16 19 1 16 20 1 17 32 1 18 23 1 19 24 1 20 25 1 21 26 1 21 30 1 22 28 1 27 29 1 27 33 1 28 29 2 28 31 1 29 32 1', '33 34 C:17 20.93 -8.33 C:16 16.07 -8.33 C:19 11.22 -8.33 C:23 6.41 -8.33 C:23 5.18 -10.41 C:38 26.92 -14.57 C:36 29.35 -10.34 O 8.81 -8.33 O 26.92 -9.01 C:125 17.26 -10.41 C:119 22.11 -10.41 C:124 10.01 -10.41 C:146 23.49 -11.87 C:152 28.14 -12.47 C:26 18.48 -9.70 C:26 13.66 -9.70 C:45 23.31 -9.70 C:40 19.71 -10.41 C:40 14.89 -10.41 C:39 12.45 -10.41 C:53 7.62 -10.41 N 24.38 -12.93 C:142 20.93 -9.70 C:135 16.07 -9.70 C:158 11.22 -9.70 C:200 8.81 -9.70 C:152 26.92 -10.41 C:147 25.70 -12.47 C:114 25.70 -11.07 C:26 6.41 -9.70 N 26.92 -13.17 N 24.38 -10.61 N+ 28.14 -11.07 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 33 1 8 26 2 9 27 2 10 15 1 10 24 2 11 17 1 11 23 2 12 25 2 12 26 1 13 22 2 13 32 1 14 31 1 14 33 2 15 18 1 16 19 1 16 20 1 17 32 1 18 23 1 19 24 1 20 25 1 21 26 1 21 30 1 22 28 1 27 29 1 27 33 1 28 29 2 28 31 1 29 32 1', 'C27H41N4O2', 453.315, 'C', 'np07_1104_6', 4077, '', 'Euplexaura nuttingi, inhibitory activity against both K562 and UT7 tumor cell', '1', 45, NULL, NULL),
(16302, 'Malonganenone D', '', 'Terpenoids', 'Diterpenoids', 'Phytanes', '[CH3:19][C:7](=[CH:6][CH2:5][CH2:4][C:3]([CH3:20])=[CH:2][CH2:1]n1[cH:108]n[c:104]2[c:105]1[c:106](=O)n[cH:102]n2[CH3:110])[CH2:8][CH2:9][CH:10]=[C:11]([CH3:18])[CH2:12][C:13](=O)[CH2:14][CH:15]([CH3:17])[CH3:16]', 'CC(=CCCC(C)=CCn1cnc2c1c(=O)ncn2C)CCC=C(C)CC(=O)CC(C)C', '[CH3:16][C:135](=[CH:124][CH2:26][CH2:39][C:143]([CH3:16])=[CH:118][CH2:44]n1[cH:140]n[c:147]2[c:114]1[c:163](=O)n[cH:147]n2[CH3:35])[CH2:39][CH2:27][CH:129]=[C:129]([CH3:17])[CH2:54][C:209](=O)[CH2:51][CH:24]([CH3:23])[CH3:23]', '32 33 C:19 16.63 -8.28 C:20 21.49 -8.28 C:18 11.78 -8.28 C:17 6.97 -8.28 C:16 5.74 -10.36 C:110 27.48 -14.52 O 9.37 -8.28 O 27.48 -8.96 C:6 17.82 -10.36 C:10 13.01 -10.36 C:2 22.67 -10.36 C:102 28.70 -12.42 C:108 24.05 -11.82 C:5 19.04 -9.65 C:9 14.22 -9.65 C:1 23.87 -9.65 C:8 15.45 -10.36 C:4 20.27 -10.36 C:12 10.57 -10.36 C:14 8.18 -10.36 N 28.70 -11.02 N 24.94 -12.88 C:7 16.63 -9.65 C:3 21.49 -9.65 C:11 11.78 -9.65 C:13 9.37 -9.65 C:106 27.48 -10.36 C:104 26.25 -12.42 C:105 26.25 -11.02 C:15 6.97 -9.65 N 27.48 -13.12 N 24.94 -10.56 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 26 2 8 27 2 9 14 1 9 23 2 10 15 1 10 25 2 11 16 1 11 24 2 12 21 2 12 31 1 13 22 2 13 32 1 14 18 1 15 17 1 16 32 1 17 23 1 18 24 1 19 25 1 19 26 1 20 26 1 20 30 1 21 27 1 22 28 1 27 29 1 28 29 2 28 31 1 29 32 1', '32 33 C 16.63 -8.28 C 21.49 -8.28 C 11.78 -8.28 C 6.97 -8.28 C 5.74 -10.36 C 27.48 -14.52 O 9.37 -8.28 O 27.48 -8.96 C 17.82 -10.36 C 13.01 -10.36 C 22.67 -10.36 C 28.70 -12.42 C 24.05 -11.82 C 19.04 -9.65 C 14.22 -9.65 C 23.87 -9.65 C 15.45 -10.36 C 20.27 -10.36 C 10.57 -10.36 C 8.18 -10.36 N 28.70 -11.02 N 24.94 -12.88 C 16.63 -9.65 C 21.49 -9.65 C 11.78 -9.65 C 9.37 -9.65 C 27.48 -10.36 C 26.25 -12.42 C 26.25 -11.02 C 6.97 -9.65 N 27.48 -13.12 N 24.94 -10.56 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 26 2 8 27 2 9 14 1 9 23 2 10 15 1 10 25 2 11 16 1 11 24 2 12 21 2 12 31 1 13 22 2 13 32 1 14 18 1 15 17 1 16 32 1 17 23 1 18 24 1 19 25 1 19 26 1 20 26 1 20 30 1 21 27 1 22 28 1 27 29 1 28 29 2 28 31 1 29 32 1', '32 33 C:16 16.63 -8.28 C:16 21.49 -8.28 C:17 11.78 -8.28 C:23 6.97 -8.28 C:23 5.74 -10.36 C:35 27.48 -14.52 O 9.37 -8.28 O 27.48 -8.96 C:124 17.82 -10.36 C:129 13.01 -10.36 C:118 22.67 -10.36 C:147 28.70 -12.42 C:140 24.05 -11.82 C:26 19.04 -9.65 C:27 14.22 -9.65 C:44 23.87 -9.65 C:39 15.45 -10.36 C:39 20.27 -10.36 C:54 10.57 -10.36 C:51 8.18 -10.36 N 28.70 -11.02 N 24.94 -12.88 C:135 16.63 -9.65 C:143 21.49 -9.65 C:129 11.78 -9.65 C:209 9.37 -9.65 C:163 27.48 -10.36 C:147 26.25 -12.42 C:114 26.25 -11.02 C:24 6.97 -9.65 N 27.48 -13.12 N 24.94 -10.56 1 23 1 2 24 1 3 25 1 4 30 1 5 30 1 6 31 1 7 26 2 8 27 2 9 14 1 9 23 2 10 15 1 10 25 2 11 16 1 11 24 2 12 21 2 12 31 1 13 22 2 13 32 1 14 18 1 15 17 1 16 32 1 17 23 1 18 24 1 19 25 1 19 26 1 20 26 1 20 30 1 21 27 1 22 28 1 27 29 1 28 29 2 28 31 1 29 32 1', 'C26H38N4O2', 438.304, 'C', 'np07_1104_7', 4077, '', 'Euplexaura nuttingi, inhibitory activity against both K562 and UT7 tumor cell', '1', 45, NULL, NULL),
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(16315, 'Cumbiasin A', '', 'Terpenoids', 'Diterpenoids', 'Cumbianes', '[H][C@@:6]12[CH2:5][CH2:4][C@H:3]([CH3:18])[C@@:2]3([H])[C:17](=O)[C@@:16]4(O)[C@@H:10]([C:11](=[CH2:12])[CH3:13])[C@:9]([H])([CH2:8][C@@H:7]1[CH3:19])[C@@:1]23[C:14](=O)[C@@:15]4([CH3:20])O', '[H][C@@]12CC[C@H](C)[C@@]3([H])C(=O)[C@@]4(O)[C@@H](C(=C)C)[C@]([H])(C[C@@H]1C)[C@@]23C(=O)[C@@]4(C)O', '[H][C@@:41]12[CH2:31][CH2:34][C@H:31]([CH3:22])[C@@:53]3([H])[C:213](=O)[C@@:77]4(O)[C@@H:51]([C:144](=[CH2:115])[CH3:23])[C@:41]([H])([CH2:41][C@@H:40]1[CH3:21])[C@@:58]23[C:210](=O)[C@@:83]4([CH3:18])O', '27 30 H 13.92 -13.25 H 17.72 -13.58 H 15.99 -9.63 C:12 19.70 -14.11 C:13 20.94 -11.89 C:18 14.72 -8.50 C:19 14.11 -15.10 C:20 19.70 -8.19 O 17.08 -8.50 O 17.66 -11.89 O 18.01 -7.72 O 19.70 -10.84 C:4 13.54 -10.62 C:5 13.54 -12.04 C:8 16.44 -14.11 C:11 19.70 -12.62 C:17 17.08 -9.92 C:14 17.13 -11.31 C:3 14.72 -9.92 C:7 15.07 -14.00 C:10 18.34 -12.04 C:6 14.80 -12.72 C:9 16.96 -12.88 C:2 15.99 -10.62 C:15 18.64 -8.98 C:16 18.34 -10.62 C:1 15.99 -12.04 22 1 -2 23 2 -1 24 3 -2 4 16 2 5 16 1 19 6 -2 20 7 -2 25 8 -2 9 17 2 10 18 2 25 11 -1 26 12 -1 13 14 1 13 19 1 14 22 1 15 20 1 15 23 1 21 16 -1 17 24 1 17 26 1 18 25 1 27 18 -2 19 24 1 20 22 1 21 23 1 21 26 1 22 27 1 23 27 1 24 27 1 25 26 1', '27 30 H 13.92 -13.25 H 17.72 -13.58 H 15.99 -9.63 C 19.70 -14.11 C 20.94 -11.89 C 14.72 -8.50 C 14.11 -15.10 C 19.70 -8.19 O 17.08 -8.50 O 17.66 -11.89 O 18.01 -7.72 O 19.70 -10.84 C 13.54 -10.62 C 13.54 -12.04 C 16.44 -14.11 C 19.70 -12.62 C 17.08 -9.92 C 17.13 -11.31 C 14.72 -9.92 C 15.07 -14.00 C 18.34 -12.04 C 14.80 -12.72 C 16.96 -12.88 C 15.99 -10.62 C 18.64 -8.98 C 18.34 -10.62 C 15.99 -12.04 22 1 -2 23 2 -1 24 3 -2 4 16 2 5 16 1 19 6 -2 20 7 -2 25 8 -2 9 17 2 10 18 2 25 11 -1 26 12 -1 13 14 1 13 19 1 14 22 1 15 20 1 15 23 1 21 16 -1 17 24 1 17 26 1 18 25 1 27 18 -2 19 24 1 20 22 1 21 23 1 21 26 1 22 27 1 23 27 1 24 27 1 25 26 1', '27 30 H 13.92 -13.25 H 17.72 -13.58 H 15.99 -9.63 C:115 19.70 -14.11 C:23 20.94 -11.89 C:22 14.72 -8.50 C:21 14.11 -15.10 C:18 19.70 -8.19 O 17.08 -8.50 O 17.66 -11.89 O 18.01 -7.72 O 19.70 -10.84 C:34 13.54 -10.62 C:31 13.54 -12.04 C:41 16.44 -14.11 C:144 19.70 -12.62 C:213 17.08 -9.92 C:210 17.13 -11.31 C:31 14.72 -9.92 C:40 15.07 -14.00 C:51 18.34 -12.04 C:41 14.80 -12.72 C:41 16.96 -12.88 C:53 15.99 -10.62 C:83 18.64 -8.98 C:77 18.34 -10.62 C:58 15.99 -12.04 22 1 -2 23 2 -1 24 3 -2 4 16 2 5 16 1 19 6 -2 20 7 -2 25 8 -2 9 17 2 10 18 2 25 11 -1 26 12 -1 13 14 1 13 19 1 14 22 1 15 20 1 15 23 1 21 16 -1 17 24 1 17 26 1 18 25 1 27 18 -2 19 24 1 20 22 1 21 23 1 21 26 1 22 27 1 23 27 1 24 27 1 25 26 1', 'C20H28O4', 332.235, 'C', 'jo00_6682_1', 4081, '', '', '1', 45, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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
(16331, '7-Methyl ether diarylbutane lignan', '', 'Lignans', 'Lignans', 'Dibenzylbutanes', '[CH3:3001]O[c:3]3[cH:2][c:1]([CH:7](O[CH3:7001])[CH:8]([CH3:9])[CH:108]([CH3:109])[CH2:107][c:101]2[cH:106][cH:105][c:104]1O[CH2:103001]O[c:103]1[cH:102]2)[cH:6][cH:5][c:4]3O', 'COc3cc(C(OC)C(C)C(C)Cc2ccc1OCOc1c2)ccc3O', '[CH3:56]O[c:147]3[cH:109][c:134]([CH:87](O[CH3:57])[CH:45]([CH3:11])[CH:37]([CH3:18])[CH2:38][c:136]2[cH:122][cH:108][c:148]1O[CH2:101]O[c:146]1[cH:110]2)[cH:121][cH:114][c:145]3O', '26 28 C:3001 13.43 -6.83 C:7001 19.59 -6.18 C:109 21.01 -11.02 C:9 21.01 -8.25 O 13.43 -11.02 C:106 17.42 -13.10 C:5 15.85 -11.02 C:6 17.06 -10.33 C:105 17.42 -14.47 C:102 19.81 -13.10 C:2 15.85 -8.25 C:103001 20.27 -16.68 C:107 18.61 -11.02 O 13.43 -8.23 O 18.38 -6.83 O 18.88 -16.53 O 20.84 -15.41 C:101 18.61 -12.40 C:4 14.64 -10.33 C:1 17.06 -8.94 C:3 14.64 -8.94 C:104 18.61 -15.15 C:103 19.81 -14.47 C:108 19.81 -10.33 C:8 19.81 -8.94 C:7 18.38 -8.25 1 14 1 2 15 1 3 24 1 4 25 1 5 19 1 6 9 1 6 18 2 7 8 2 7 19 1 8 20 1 9 22 2 10 18 1 10 23 2 11 20 2 11 21 1 12 16 1 12 17 1 13 18 1 13 24 1 14 21 1 15 26 1 16 22 1 17 23 1 19 21 2 20 26 1 22 23 1 24 25 1 25 26 1', '26 28 C 13.43 -6.83 C 19.59 -6.18 C 21.01 -11.02 C 21.01 -8.25 O 13.43 -11.02 C 17.42 -13.10 C 15.85 -11.02 C 17.06 -10.33 C 17.42 -14.47 C 19.81 -13.10 C 15.85 -8.25 C 20.27 -16.68 C 18.61 -11.02 O 13.43 -8.23 O 18.38 -6.83 O 18.88 -16.53 O 20.84 -15.41 C 18.61 -12.40 C 14.64 -10.33 C 17.06 -8.94 C 14.64 -8.94 C 18.61 -15.15 C 19.81 -14.47 C 19.81 -10.33 C 19.81 -8.94 C 18.38 -8.25 1 14 1 2 15 1 3 24 1 4 25 1 5 19 1 6 9 1 6 18 2 7 8 2 7 19 1 8 20 1 9 22 2 10 18 1 10 23 2 11 20 2 11 21 1 12 16 1 12 17 1 13 18 1 13 24 1 14 21 1 15 26 1 16 22 1 17 23 1 19 21 2 20 26 1 22 23 1 24 25 1 25 26 1', '26 28 C:56 13.43 -6.83 C:57 19.59 -6.18 C:18 21.01 -11.02 C:11 21.01 -8.25 O 13.43 -11.02 C:122 17.42 -13.10 C:114 15.85 -11.02 C:121 17.06 -10.33 C:108 17.42 -14.47 C:110 19.81 -13.10 C:109 15.85 -8.25 C:101 20.27 -16.68 C:38 18.61 -11.02 O 13.43 -8.23 O 18.38 -6.83 O 18.88 -16.53 O 20.84 -15.41 C:136 18.61 -12.40 C:145 14.64 -10.33 C:134 17.06 -8.94 C:147 14.64 -8.94 C:148 18.61 -15.15 C:146 19.81 -14.47 C:37 19.81 -10.33 C:45 19.81 -8.94 C:87 18.38 -8.25 1 14 1 2 15 1 3 24 1 4 25 1 5 19 1 6 9 1 6 18 2 7 8 2 7 19 1 8 20 1 9 22 2 10 18 1 10 23 2 11 20 2 11 21 1 12 16 1 12 17 1 13 18 1 13 24 1 14 21 1 15 26 1 16 22 1 17 23 1 19 21 2 20 26 1 22 23 1 24 25 1 25 26 1', 'C21H26O5', 358.222, 'C', 'bmcl08_194_4', 4090, '', '', '1', 47, NULL, NULL),
(16332, 'Piperphilippinin I', '', 'Lignans', 'Lignans', 'Dibenzylbutyrolactones', '[CH3:3001]O[c:3]3[cH:2][c:1]([CH2:7][C@H:8]1[CH2:9]O[C:109](=O)[C@@H:108]1[CH2:107][c:101]2[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]2)[cH:6][cH:5][c:4]3O', 'COc3cc(C[C@H]1COC(=O)[C@@H]1Cc2ccc(O)c(O)c2)ccc3O', '[CH3:57]O[c:149]3[cH:114][c:132]([CH2:39][C@H:43]1[CH2:72]O[C:180](=O)[C@@H:47]1[CH2:35][c:131]2[cH:122][cH:117][c:147](O)[c:147](O)[cH:118]2)[cH:123][cH:116][c:145]3O', '25 27 C:3001 13.00 -6.55 O 21.17 -11.78 O 18.21 -16.25 O 13.00 -10.73 O 20.62 -14.84 C:106 17.02 -12.81 C:6 16.66 -10.04 C:105 17.02 -14.16 C:5 15.44 -10.73 C:102 19.41 -12.81 C:2 15.44 -7.95 C:9 20.73 -8.20 C:7 17.98 -7.95 C:107 18.21 -10.73 O 13.00 -7.95 O 21.53 -9.32 C:109 20.73 -10.46 C:101 18.21 -12.11 C:1 16.66 -8.65 C:104 18.21 -14.84 C:4 14.22 -10.04 C:103 19.41 -14.16 C:3 14.22 -8.65 C:8 19.41 -8.65 C:108 19.41 -10.04 1 15 1 2 17 2 3 20 1 4 21 1 5 22 1 6 8 1 6 18 2 7 9 2 7 19 1 8 20 2 9 21 1 10 18 1 10 22 2 11 19 2 11 23 1 12 16 1 12 24 1 13 19 1 24 13 -1 14 18 1 25 14 -2 15 23 1 16 17 1 17 25 1 20 22 1 21 23 2 24 25 1', '25 27 C 13.00 -6.55 O 21.17 -11.78 O 18.21 -16.25 O 13.00 -10.73 O 20.62 -14.84 C 17.02 -12.81 C 16.66 -10.04 C 17.02 -14.16 C 15.44 -10.73 C 19.41 -12.81 C 15.44 -7.95 C 20.73 -8.20 C 17.98 -7.95 C 18.21 -10.73 O 13.00 -7.95 O 21.53 -9.32 C 20.73 -10.46 C 18.21 -12.11 C 16.66 -8.65 C 18.21 -14.84 C 14.22 -10.04 C 19.41 -14.16 C 14.22 -8.65 C 19.41 -8.65 C 19.41 -10.04 1 15 1 2 17 2 3 20 1 4 21 1 5 22 1 6 8 1 6 18 2 7 9 2 7 19 1 8 20 2 9 21 1 10 18 1 10 22 2 11 19 2 11 23 1 12 16 1 12 24 1 13 19 1 24 13 -1 14 18 1 25 14 -2 15 23 1 16 17 1 17 25 1 20 22 1 21 23 2 24 25 1', '25 27 C:57 13.00 -6.55 O 21.17 -11.78 O 18.21 -16.25 O 13.00 -10.73 O 20.62 -14.84 C:122 17.02 -12.81 C:123 16.66 -10.04 C:117 17.02 -14.16 C:116 15.44 -10.73 C:118 19.41 -12.81 C:114 15.44 -7.95 C:72 20.73 -8.20 C:39 17.98 -7.95 C:35 18.21 -10.73 O 13.00 -7.95 O 21.53 -9.32 C:180 20.73 -10.46 C:131 18.21 -12.11 C:132 16.66 -8.65 C:147 18.21 -14.84 C:145 14.22 -10.04 C:147 19.41 -14.16 C:149 14.22 -8.65 C:43 19.41 -8.65 C:47 19.41 -10.04 1 15 1 2 17 2 3 20 1 4 21 1 5 22 1 6 8 1 6 18 2 7 9 2 7 19 1 8 20 2 9 21 1 10 18 1 10 22 2 11 19 2 11 23 1 12 16 1 12 24 1 13 19 1 24 13 -1 14 18 1 25 14 -2 15 23 1 16 17 1 17 25 1 20 22 1 21 23 2 24 25 1', 'C19H20O6', 344.2, 'A', 'ph07_2101_1', 4091, '', '', '1', 47, NULL, NULL),
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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
(16348, '', '', 'Lignans', 'Lignans', 'Dibenzylbutanes', '[CH3:104001]O[c:104]2[cH:105][cH:106][c:101]([CH2:107][CH:108]([CH2:109]O)[CH:8]([CH2:9]O)[CH2:7][c:1]1[cH:6][cH:5][c:4](O[CH3:4001])[c:3](O[CH3:3001])[cH:2]1)[cH:102][c:103]2O[CH3:103001]', 'COc2ccc(CC(CO)C(CO)Cc1ccc(OC)c(OC)c1)cc2OC', '[CH3:9999]O[c:147]2[cH:112][cH:121][c:133]([CH2:36][CH:44]([CH2:60]O)[CH:44]([CH2:60]O)[CH2:36][c:133]1[cH:121][cH:112][c:147](O[CH3:9999])[c:149](O[CH3:56])[cH:111]1)[cH:111][c:149]2O[CH3:56]', '28 29 C:104001 17.45 -16.59 C:4001 12.24 -9.70 C:103001 21.04 -15.90 C:3001 13.46 -6.22 O 22.26 -9.70 O 22.26 -8.30 C:106 17.45 -12.46 C:6 17.09 -9.70 C:105 17.45 -13.83 C:5 15.87 -10.40 C:102 19.83 -12.46 C:2 15.87 -7.60 C:109 21.04 -10.40 C:9 21.04 -7.60 C:107 18.63 -10.40 C:7 18.40 -7.60 O 18.63 -15.90 O 13.46 -10.40 O 21.04 -14.50 O 13.46 -7.60 C:101 18.63 -11.77 C:1 17.09 -8.30 C:104 18.63 -14.50 C:4 14.65 -9.70 C:103 19.83 -13.83 C:3 14.65 -8.30 C:108 19.83 -9.70 C:8 19.83 -8.30 1 17 1 2 18 1 3 19 1 4 20 1 5 13 1 6 14 1 7 9 1 7 21 2 8 10 2 8 22 1 9 23 2 10 24 1 11 21 1 11 25 2 12 22 2 12 26 1 13 27 1 14 28 1 15 21 1 15 27 1 16 22 1 16 28 1 17 23 1 18 24 1 19 25 1 20 26 1 23 25 1 24 26 2 27 28 1', '28 29 C 17.45 -16.59 C 12.24 -9.70 C 21.04 -15.90 C 13.46 -6.22 O 22.26 -9.70 O 22.26 -8.30 C 17.45 -12.46 C 17.09 -9.70 C 17.45 -13.83 C 15.87 -10.40 C 19.83 -12.46 C 15.87 -7.60 C 21.04 -10.40 C 21.04 -7.60 C 18.63 -10.40 C 18.40 -7.60 O 18.63 -15.90 O 13.46 -10.40 O 21.04 -14.50 O 13.46 -7.60 C 18.63 -11.77 C 17.09 -8.30 C 18.63 -14.50 C 14.65 -9.70 C 19.83 -13.83 C 14.65 -8.30 C 19.83 -9.70 C 19.83 -8.30 1 17 1 2 18 1 3 19 1 4 20 1 5 13 1 6 14 1 7 9 1 7 21 2 8 10 2 8 22 1 9 23 2 10 24 1 11 21 1 11 25 2 12 22 2 12 26 1 13 27 1 14 28 1 15 21 1 15 27 1 16 22 1 16 28 1 17 23 1 18 24 1 19 25 1 20 26 1 23 25 1 24 26 2 27 28 1', '28 29 C 17.45 -16.59 C 12.24 -9.70 C:56 21.04 -15.90 C:56 13.46 -6.22 O 22.26 -9.70 O 22.26 -8.30 C:121 17.45 -12.46 C:121 17.09 -9.70 C:112 17.45 -13.83 C:112 15.87 -10.40 C:111 19.83 -12.46 C:111 15.87 -7.60 C:60 21.04 -10.40 C:60 21.04 -7.60 C:36 18.63 -10.40 C:36 18.40 -7.60 O 18.63 -15.90 O 13.46 -10.40 O 21.04 -14.50 O 13.46 -7.60 C:133 18.63 -11.77 C:133 17.09 -8.30 C:147 18.63 -14.50 C:147 14.65 -9.70 C:149 19.83 -13.83 C:149 14.65 -8.30 C:44 19.83 -9.70 C:44 19.83 -8.30 1 17 1 2 18 1 3 19 1 4 20 1 5 13 1 6 14 1 7 9 1 7 21 2 8 10 2 8 22 1 9 23 2 10 24 1 11 21 1 11 25 2 12 22 2 12 26 1 13 27 1 14 28 1 15 21 1 15 27 1 16 22 1 16 28 1 17 23 1 18 24 1 19 25 1 20 26 1 23 25 1 24 26 2 27 28 1', 'C22H30O6', 390.232, 'C', 'ph37_867_3', 4094, '', '', '1', 47, NULL, NULL),
(16349, 'Ciereszkolide', '', 'Terpenoids', 'Diterpenoids', 'Ciereszkolanes', '[CH2:15]=[C:14]1[C@@H:16](O[CH3:16001])O[C@H:2]2[C@H:1]1[CH2:13][C@@H:12](O[C:12001]([CH3:12002])=O)[C:11]4=[CH:10][C@H:9]([CH2:8][C:7]([CH3:19])=[CH:6][C:5]3=[CH:4][C@@:3]2([CH3:18])[C:17](=O)O3)O[C:20]4=O', 'C=C1[C@@H](OC)O[C@H]2[C@H]1C[C@@H](OC(C)=O)C4=C[C@H](CC(C)=CC3=C[C@@]2(C)C(=O)O3)OC4=O', '[CH2:112]=[C:148]1[C@@H:106](O[CH3:54])O[C@H:86]2[C@H:42]1[CH2:38][C@@H:68](O[C:171]([CH3:21])=O)[C:129]4=[CH:158][C@H:78]([CH2:41][C:143]([CH3:24])=[CH:117][C:150]3=[CH:111][C@@:53]2([CH3:21])[C:178](=O)O3)O[C:170]4=O', '31 34 C:15 22.02 -10.50 C:16001 22.90 -7.89 C:12002 20.80 -15.77 C:19 11.64 -11.21 C:18 18.03 -8.37 O 21.18 -13.36 O 17.59 -15.29 O 17.59 -7.12 C:6 13.64 -9.94 C:10 16.11 -11.89 C:4 16.11 -10.50 C:8 13.64 -12.46 C:13 19.52 -11.89 O 21.56 -7.51 O 15.37 -8.23 O 18.93 -14.22 O 15.37 -14.15 O 19.16 -8.23 C:12001 20.30 -14.45 C:7 13.02 -11.21 C:5 14.91 -9.63 C:14 20.80 -9.86 C:20 16.76 -14.15 C:17 16.76 -8.23 C:11 17.21 -12.88 C:9 14.91 -12.76 C:12 18.53 -12.88 C:16 20.55 -8.48 C:1 19.52 -10.50 C:2 18.53 -9.51 C:3 17.21 -9.51 1 22 2 2 14 1 3 19 1 4 20 1 31 5 -2 6 19 2 7 23 2 8 24 2 9 20 2 9 21 1 10 25 2 10 26 1 11 21 2 11 31 1 12 20 1 12 26 1 13 27 1 13 29 1 28 14 -2 15 21 1 15 24 1 16 19 1 27 16 -1 17 23 1 26 17 -1 18 28 1 30 18 -1 22 28 1 29 22 -2 23 25 1 24 31 1 25 27 1 29 30 1 30 31 1', '31 34 C 22.02 -10.50 C 22.90 -7.89 C 20.80 -15.77 C 11.64 -11.21 C 18.03 -8.37 O 21.18 -13.36 O 17.59 -15.29 O 17.59 -7.12 C 13.64 -9.94 C 16.11 -11.89 C 16.11 -10.50 C 13.64 -12.46 C 19.52 -11.89 O 21.56 -7.51 O 15.37 -8.23 O 18.93 -14.22 O 15.37 -14.15 O 19.16 -8.23 C 20.30 -14.45 C 13.02 -11.21 C 14.91 -9.63 C 20.80 -9.86 C 16.76 -14.15 C 16.76 -8.23 C 17.21 -12.88 C 14.91 -12.76 C 18.53 -12.88 C 20.55 -8.48 C 19.52 -10.50 C 18.53 -9.51 C 17.21 -9.51 1 22 2 2 14 1 3 19 1 4 20 1 31 5 -2 6 19 2 7 23 2 8 24 2 9 20 2 9 21 1 10 25 2 10 26 1 11 21 2 11 31 1 12 20 1 12 26 1 13 27 1 13 29 1 28 14 -2 15 21 1 15 24 1 16 19 1 27 16 -1 17 23 1 26 17 -1 18 28 1 30 18 -1 22 28 1 29 22 -2 23 25 1 24 31 1 25 27 1 29 30 1 30 31 1', '31 34 C:112 22.02 -10.50 C:54 22.90 -7.89 C:21 20.80 -15.77 C:24 11.64 -11.21 C:21 18.03 -8.37 O 21.18 -13.36 O 17.59 -15.29 O 17.59 -7.12 C:117 13.64 -9.94 C:158 16.11 -11.89 C:111 16.11 -10.50 C:41 13.64 -12.46 C:38 19.52 -11.89 O 21.56 -7.51 O 15.37 -8.23 O 18.93 -14.22 O 15.37 -14.15 O 19.16 -8.23 C:171 20.30 -14.45 C:143 13.02 -11.21 C:150 14.91 -9.63 C:148 20.80 -9.86 C:170 16.76 -14.15 C:178 16.76 -8.23 C:129 17.21 -12.88 C:78 14.91 -12.76 C:68 18.53 -12.88 C:106 20.55 -8.48 C:42 19.52 -10.50 C:86 18.53 -9.51 C:53 17.21 -9.51 1 22 2 2 14 1 3 19 1 4 20 1 31 5 -2 6 19 2 7 23 2 8 24 2 9 20 2 9 21 1 10 25 2 10 26 1 11 21 2 11 31 1 12 20 1 12 26 1 13 27 1 13 29 1 28 14 -2 15 21 1 15 24 1 16 19 1 27 16 -1 17 23 1 26 17 -1 18 28 1 30 18 -1 22 28 1 29 22 -2 23 25 1 24 31 1 25 27 1 29 30 1 30 31 1', 'C23H26O8', 430.241, 'C', 'ejoc04_3909_1', 4095, '', 'Pseudopterogorgia kallos', '1', 45, NULL, NULL),
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(16365, 'Massarigenins C', '', 'Terpenoids', 'Sesquiterpenoids', 'Miscellanea', '[CH2:11]=[C:3]2O[C:1](=O)[C@:5]1([C@H:6]([CH3:12])[CH:7]=[CH:8][C:9](=O)[C@@H:10]1O)[C@H:4]2O', 'C=C2OC(=O)[C@]1([C@H](C)C=CC(=O)[C@@H]1O)[C@H]2O', '[CH2:89]=[C:160]2O[C:174](=O)[C@:61]1([C@H:37]([CH3:16])[CH:151]=[CH:128][C:196](=O)[C@@H:77]1O)[C@H:69]2O', '16 17 C:11 18.33 -7.35 C:12 15.03 -8.19 O 15.03 -13.79 O 18.12 -12.05 O 16.13 -7.54 O 17.45 -12.41 C:8 13.79 -11.71 C:7 13.79 -10.29 O 18.49 -9.81 C:3 17.76 -8.60 C:9 15.03 -12.41 C:1 17.52 -10.86 C:6 15.03 -9.58 C:4 16.38 -8.90 C:10 16.23 -11.71 C:5 16.23 -10.29 1 10 2 13 2 -1 3 11 2 4 12 2 14 5 -1 15 6 -1 7 8 2 7 11 1 8 13 1 9 10 1 9 12 1 10 14 1 11 15 1 16 12 -2 13 16 1 16 14 -1 15 16 1', '16 17 C 18.33 -7.35 C 15.03 -8.19 O 15.03 -13.79 O 18.12 -12.05 O 16.13 -7.54 O 17.45 -12.41 C 13.79 -11.71 C 13.79 -10.29 O 18.49 -9.81 C 17.76 -8.60 C 15.03 -12.41 C 17.52 -10.86 C 15.03 -9.58 C 16.38 -8.90 C 16.23 -11.71 C 16.23 -10.29 1 10 2 13 2 -1 3 11 2 4 12 2 14 5 -1 15 6 -1 7 8 2 7 11 1 8 13 1 9 10 1 9 12 1 10 14 1 11 15 1 16 12 -2 13 16 1 16 14 -1 15 16 1', '16 17 C:89 18.33 -7.35 C:16 15.03 -8.19 O 15.03 -13.79 O 18.12 -12.05 O 16.13 -7.54 O 17.45 -12.41 C:128 13.79 -11.71 C:151 13.79 -10.29 O 18.49 -9.81 C:160 17.76 -8.60 C:196 15.03 -12.41 C:174 17.52 -10.86 C:37 15.03 -9.58 C:69 16.38 -8.90 C:77 16.23 -11.71 C:61 16.23 -10.29 1 10 2 13 2 -1 3 11 2 4 12 2 14 5 -1 15 6 -1 7 8 2 7 11 1 8 13 1 9 10 1 9 12 1 10 14 1 11 15 1 16 12 -2 13 16 1 16 14 -1 15 16 1', 'C11H12O5', 224.115, 'A', 'np03_073_3', 3451, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(16377, 'Marianine', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]4=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:29])([CH3:28])[C@:5]3([H])[CH2:6][C:7]4=O', '[H][C@]1([C@H](C)CCC(=C)C(C)(C)O)CC[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CC[C@H](O)[C@@](C)(C)[C@]3([H])CC4=O', '[H][C@:51]1([C@H:36]([CH3:19])[CH2:33][CH2:31][C:158](=[CH2:106])[C:73]([CH3:30])([CH3:30])O)[CH2:29][CH2:31][C@@:50]2([CH3:17])[C:152]4=[C:150]([CH2:21][CH2:31][C@:44]12[CH3:16])[C@@:40]3([CH3:21])[CH2:36][CH2:28][C@H:79](O)[C@@:39]([CH3:16])([CH3:28])[C@:49]3([H])[CH2:38][C:203]4=O', '36 39 H 18.17 -10.61 H 13.28 -14.71 C:24001 23.03 -7.44 C:21 17.86 -7.27 C:27 23.03 -11.12 C:26 24.87 -9.50 C:29 11.27 -15.54 C:28 12.78 -15.59 C:19 13.28 -10.76 C:30 17.05 -12.93 C:18 17.05 -8.65 O 16.98 -14.37 O 9.66 -14.37 O 24.39 -10.87 C:23 21.14 -9.02 C:11 14.56 -10.05 C:22 20.19 -7.99 C:2 10.83 -12.20 C:12 15.80 -9.33 C:1 12.06 -11.46 C:16 19.18 -10.76 C:15 18.36 -11.88 C:6 14.56 -14.37 C:24 22.54 -8.74 C:7 15.80 -13.65 C:9 14.56 -11.46 C:8 15.80 -12.20 C:20 18.80 -8.29 C:3 10.83 -13.65 C:25 23.47 -9.81 C:4 12.06 -14.37 C:17 18.36 -9.63 C:5 13.28 -13.65 C:10 13.28 -12.20 C:14 17.05 -11.46 C:13 17.05 -10.05 32 1 -2 33 2 -2 3 24 2 28 4 -2 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 35 10 -2 36 11 -1 12 25 2 29 13 -1 14 30 1 15 17 1 15 24 1 16 19 1 16 26 1 17 28 1 18 20 1 18 29 1 19 36 1 20 34 1 21 22 1 21 32 1 22 35 1 23 25 1 23 33 1 24 30 1 25 27 1 26 27 2 26 34 1 27 35 1 28 32 1 29 31 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 18.17 -10.61 H 13.28 -14.71 C 23.03 -7.44 C 17.86 -7.27 C 23.03 -11.12 C 24.87 -9.50 C 11.27 -15.54 C 12.78 -15.59 C 13.28 -10.76 C 17.05 -12.93 C 17.05 -8.65 O 16.98 -14.37 O 9.66 -14.37 O 24.39 -10.87 C 21.14 -9.02 C 14.56 -10.05 C 20.19 -7.99 C 10.83 -12.20 C 15.80 -9.33 C 12.06 -11.46 C 19.18 -10.76 C 18.36 -11.88 C 14.56 -14.37 C 22.54 -8.74 C 15.80 -13.65 C 14.56 -11.46 C 15.80 -12.20 C 18.80 -8.29 C 10.83 -13.65 C 23.47 -9.81 C 12.06 -14.37 C 18.36 -9.63 C 13.28 -13.65 C 13.28 -12.20 C 17.05 -11.46 C 17.05 -10.05 32 1 -2 33 2 -2 3 24 2 28 4 -2 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 35 10 -2 36 11 -1 12 25 2 29 13 -1 14 30 1 15 17 1 15 24 1 16 19 1 16 26 1 17 28 1 18 20 1 18 29 1 19 36 1 20 34 1 21 22 1 21 32 1 22 35 1 23 25 1 23 33 1 24 30 1 25 27 1 26 27 2 26 34 1 27 35 1 28 32 1 29 31 1 31 33 1 32 36 1 33 34 1 35 36 1', '36 39 H 18.17 -10.61 H 13.28 -14.71 C:106 23.03 -7.44 C:19 17.86 -7.27 C:30 23.03 -11.12 C:30 24.87 -9.50 C:16 11.27 -15.54 C:28 12.78 -15.59 C:21 13.28 -10.76 C:17 17.05 -12.93 C:16 17.05 -8.65 O 16.98 -14.37 O 9.66 -14.37 O 24.39 -10.87 C:31 21.14 -9.02 C:21 14.56 -10.05 C:33 20.19 -7.99 C:28 10.83 -12.20 C:31 15.80 -9.33 C:36 12.06 -11.46 C:29 19.18 -10.76 C:31 18.36 -11.88 C:38 14.56 -14.37 C:158 22.54 -8.74 C:203 15.80 -13.65 C:150 14.56 -11.46 C:152 15.80 -12.20 C:36 18.80 -8.29 C:79 10.83 -13.65 C:73 23.47 -9.81 C:39 12.06 -14.37 C:51 18.36 -9.63 C:49 13.28 -13.65 C:40 13.28 -12.20 C:50 17.05 -11.46 C:44 17.05 -10.05 32 1 -2 33 2 -2 3 24 2 28 4 -2 5 30 1 6 30 1 31 7 -1 31 8 -2 34 9 -1 35 10 -2 36 11 -1 12 25 2 29 13 -1 14 30 1 15 17 1 15 24 1 16 19 1 16 26 1 17 28 1 18 20 1 18 29 1 19 36 1 20 34 1 21 22 1 21 32 1 22 35 1 23 25 1 23 33 1 24 30 1 25 27 1 26 27 2 26 34 1 27 35 1 28 32 1 29 31 1 31 33 1 32 36 1 33 34 1 35 36 1', 'C31H50O3', 470.346, 'C', 'cpb08_103_1', 4104, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(16378, 'Marianoside A', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][C:24](=[CH2:24001])[C:25]([CH3:27])([CH3:26])O)[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]5=[C:9]([CH2:11][CH2:12][C@:13]12[CH3:18])[C@@:10]4([CH3:19])[CH2:1][CH2:2][C@H:3](O[C@@H:101]3O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]3O)[C@@:4]([CH3:29])([CH2:28]O)[C@:5]4([H])[CH2:6][CH2:7]5', '[H][C@]1([C@H](C)CCC(=C)C(C)(C)O)CC[C@@]2(C)C5=C(CC[C@]12C)[C@@]4(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@](C)(CO)[C@]4([H])CC5', '[H][C@:51]1([C@H:36]([CH3:19])[CH2:35][CH2:31][C:157](=[CH2:106])[C:73]([CH3:30])([CH3:30])O)[CH2:28][CH2:31][C@@:50]2([CH3:18])[C:134]5=[C:135]([CH2:21][CH2:31][C@:45]12[CH3:16])[C@@:38]4([CH3:21])[CH2:31][CH2:24][C@H:78](O[C@@H:101]3O[C@H:77]([CH2:61]O)[C@@H:73](O)[C@H:77](O)[C@H:70]3O)[C@@:37]([CH3:13])([CH2:65]O)[C@:44]4([H])[CH2:37][CH2:26]5', '47 51 H 20.57 -10.00 H 15.69 -14.09 C:24001 25.43 -6.82 C:21 20.27 -6.65 C:27 25.43 -10.51 C:26 27.28 -8.93 C:19 15.69 -10.15 C:30 19.46 -12.31 C:29 13.68 -14.92 C:18 19.46 -8.04 O 10.79 -8.93 O 14.50 -16.19 O 7.19 -13.84 O 7.19 -11.10 O 9.67 -15.22 O 26.79 -10.26 C:106 9.58 -9.63 C:28 15.19 -14.97 C:23 23.54 -8.41 C:7 18.21 -13.03 C:11 16.97 -9.44 C:22 22.59 -7.37 C:2 13.24 -11.59 C:6 16.97 -13.75 C:1 14.50 -10.85 C:16 21.58 -10.15 C:12 18.21 -8.71 C:15 20.76 -11.27 O 10.85 -11.70 O 12.08 -13.75 C:24 24.95 -8.13 C:9 16.97 -10.85 C:8 18.21 -11.59 C:20 21.20 -7.67 C:103 8.41 -13.15 C:104 8.41 -11.77 C:102 9.67 -13.84 C:105 9.58 -11.03 C:101 10.85 -13.09 C:3 13.24 -13.03 C:25 25.87 -9.19 C:17 20.76 -9.01 C:5 15.69 -13.03 C:10 15.69 -11.59 C:14 19.46 -10.85 C:4 14.50 -13.75 C:13 19.46 -9.44 42 1 -2 43 2 -2 3 31 2 34 4 -2 5 41 1 6 41 1 44 7 -1 45 8 -2 46 9 -1 47 10 -1 11 17 1 12 18 1 35 13 -1 36 14 -2 37 15 -2 16 41 1 38 17 -1 46 18 -2 19 22 1 19 31 1 20 24 1 20 33 1 21 27 1 21 32 1 22 34 1 23 25 1 23 40 1 24 43 1 25 44 1 26 28 1 26 42 1 27 47 1 28 45 1 29 38 1 29 39 1 39 30 -1 40 30 -1 31 41 1 32 33 2 32 44 1 33 45 1 34 42 1 35 36 1 35 37 1 36 38 1 37 39 1 40 46 1 42 47 1 43 44 1 43 46 1 45 47 1', '47 51 H 20.57 -10.00 H 15.69 -14.09 C 25.43 -6.82 C 20.27 -6.65 C 25.43 -10.51 C 27.28 -8.93 C 15.69 -10.15 C 19.46 -12.31 C 13.68 -14.92 C 19.46 -8.04 O 10.79 -8.93 O 14.50 -16.19 O 7.19 -13.84 O 7.19 -11.10 O 9.67 -15.22 O 26.79 -10.26 C 9.58 -9.63 C 15.19 -14.97 C 23.54 -8.41 C 18.21 -13.03 C 16.97 -9.44 C 22.59 -7.37 C 13.24 -11.59 C 16.97 -13.75 C 14.50 -10.85 C 21.58 -10.15 C 18.21 -8.71 C 20.76 -11.27 O 10.85 -11.70 O 12.08 -13.75 C 24.95 -8.13 C 16.97 -10.85 C 18.21 -11.59 C 21.20 -7.67 C 8.41 -13.15 C 8.41 -11.77 C 9.67 -13.84 C 9.58 -11.03 C 10.85 -13.09 C 13.24 -13.03 C 25.87 -9.19 C 20.76 -9.01 C 15.69 -13.03 C 15.69 -11.59 C 19.46 -10.85 C 14.50 -13.75 C 19.46 -9.44 42 1 -2 43 2 -2 3 31 2 34 4 -2 5 41 1 6 41 1 44 7 -1 45 8 -2 46 9 -1 47 10 -1 11 17 1 12 18 1 35 13 -1 36 14 -2 37 15 -2 16 41 1 38 17 -1 46 18 -2 19 22 1 19 31 1 20 24 1 20 33 1 21 27 1 21 32 1 22 34 1 23 25 1 23 40 1 24 43 1 25 44 1 26 28 1 26 42 1 27 47 1 28 45 1 29 38 1 29 39 1 39 30 -1 40 30 -1 31 41 1 32 33 2 32 44 1 33 45 1 34 42 1 35 36 1 35 37 1 36 38 1 37 39 1 40 46 1 42 47 1 43 44 1 43 46 1 45 47 1', '47 51 H 20.57 -10.00 H 15.69 -14.09 C:106 25.43 -6.82 C:19 20.27 -6.65 C:30 25.43 -10.51 C:30 27.28 -8.93 C:21 15.69 -10.15 C:18 19.46 -12.31 C:13 13.68 -14.92 C:16 19.46 -8.04 O 10.79 -8.93 O 14.50 -16.19 O 7.19 -13.84 O 7.19 -11.10 O 9.67 -15.22 O 26.79 -10.26 C:61 9.58 -9.63 C:65 15.19 -14.97 C:31 23.54 -8.41 C:26 18.21 -13.03 C:21 16.97 -9.44 C:35 22.59 -7.37 C:24 13.24 -11.59 C:37 16.97 -13.75 C:31 14.50 -10.85 C:28 21.58 -10.15 C:31 18.21 -8.71 C:31 20.76 -11.27 O 10.85 -11.70 O 12.08 -13.75 C:157 24.95 -8.13 C:135 16.97 -10.85 C:134 18.21 -11.59 C:36 21.20 -7.67 C:77 8.41 -13.15 C:73 8.41 -11.77 C:70 9.67 -13.84 C:77 9.58 -11.03 C:101 10.85 -13.09 C:78 13.24 -13.03 C:73 25.87 -9.19 C:51 20.76 -9.01 C:44 15.69 -13.03 C:38 15.69 -11.59 C:50 19.46 -10.85 C:37 14.50 -13.75 C:45 19.46 -9.44 42 1 -2 43 2 -2 3 31 2 34 4 -2 5 41 1 6 41 1 44 7 -1 45 8 -2 46 9 -1 47 10 -1 11 17 1 12 18 1 35 13 -1 36 14 -2 37 15 -2 16 41 1 38 17 -1 46 18 -2 19 22 1 19 31 1 20 24 1 20 33 1 21 27 1 21 32 1 22 34 1 23 25 1 23 40 1 24 43 1 25 44 1 26 28 1 26 42 1 27 47 1 28 45 1 29 38 1 29 39 1 39 30 -1 40 30 -1 31 41 1 32 33 2 32 44 1 33 45 1 34 42 1 35 36 1 35 37 1 36 38 1 37 39 1 40 46 1 42 47 1 43 44 1 43 46 1 45 47 1', 'C37H62O8', 634.407, 'P', 'cpb08_103_2', 4104, '', '', '1', 1, NULL, NULL),
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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
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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
(16404, '(3b,7a)-3,7-Dihydroxylanosta-8,24-dien-11-one', '', 'Terpenoids', 'Triterpenoids', 'Lanostanes', '[H][C@:17]1([C@H:20]([CH3:21])[CH2:22][CH2:23][CH:24]=[C:25]([CH3:26])[CH3:27])[CH2:16][CH2:15][C@@:14]2([CH3:30])[C:8]4=[C:9]([C:11](=O)[CH2:12][C@:13]12[CH3:18])[C@@:10]3([CH3:19])[CH2:1][CH2:2][C@H:3](O)[C@:4]([CH3:28])([CH3:29])[C@:5]3([H])[CH2:6][C@H:7]4O', '[H][C@]1([C@H](C)CCC=C(C)C)CC[C@@]2(C)C4=C(C(=O)C[C@]12C)[C@@]3(C)CC[C@H](O)[C@](C)(C)[C@]3([H])C[C@H]4O', '[H][C@:50]1([C@H:36]([CH3:18])[CH2:36][CH2:25][CH:125]=[C:131]([CH3:26])[CH3:18])[CH2:27][CH2:30][C@@:47]2([CH3:27])[C:160]4=[C:141]([C:201](=O)[CH2:52][C@:51]12[CH3:17])[C@@:39]3([CH3:17])[CH2:34][CH2:28][C@H:79](O)[C@:39]([CH3:28])([CH3:16])[C@:46]3([H])[CH2:28][C@H:68]4O', '35 38 H 18.15 -10.62 H 13.26 -14.73 C:26 24.89 -9.51 C:27 23.05 -11.14 C:21 17.85 -7.27 C:28 12.76 -15.56 C:29 11.25 -15.56 C:19 13.26 -10.78 C:30 17.04 -12.95 C:18 17.04 -8.66 O 13.33 -9.38 O 16.95 -14.39 O 9.64 -14.39 C:24 22.55 -8.75 C:23 21.14 -9.02 C:22 20.19 -8.00 C:2 10.81 -12.21 C:1 12.04 -11.47 C:16 19.18 -10.78 C:15 18.35 -11.90 C:12 15.76 -9.38 C:6 14.54 -14.39 C:25 23.49 -9.82 C:11 14.54 -10.07 C:9 14.54 -11.47 C:8 15.76 -12.21 C:20 18.78 -8.29 C:7 15.76 -13.67 C:3 10.81 -13.67 C:4 12.04 -14.39 C:17 18.35 -9.65 C:5 13.26 -13.67 C:10 13.26 -12.21 C:14 17.04 -11.47 C:13 17.04 -10.07 31 1 -2 32 2 -2 3 23 1 4 23 1 27 5 -2 30 6 -2 30 7 -1 33 8 -1 34 9 -2 35 10 -1 11 24 2 28 12 -2 29 13 -1 14 15 1 14 23 2 15 16 1 16 27 1 17 18 1 17 29 1 18 33 1 19 20 1 19 31 1 20 34 1 21 24 1 21 35 1 22 28 1 22 32 1 24 25 1 25 26 2 25 33 1 26 28 1 26 34 1 27 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 18.15 -10.62 H 13.26 -14.73 C 24.89 -9.51 C 23.05 -11.14 C 17.85 -7.27 C 12.76 -15.56 C 11.25 -15.56 C 13.26 -10.78 C 17.04 -12.95 C 17.04 -8.66 O 13.33 -9.38 O 16.95 -14.39 O 9.64 -14.39 C 22.55 -8.75 C 21.14 -9.02 C 20.19 -8.00 C 10.81 -12.21 C 12.04 -11.47 C 19.18 -10.78 C 18.35 -11.90 C 15.76 -9.38 C 14.54 -14.39 C 23.49 -9.82 C 14.54 -10.07 C 14.54 -11.47 C 15.76 -12.21 C 18.78 -8.29 C 15.76 -13.67 C 10.81 -13.67 C 12.04 -14.39 C 18.35 -9.65 C 13.26 -13.67 C 13.26 -12.21 C 17.04 -11.47 C 17.04 -10.07 31 1 -2 32 2 -2 3 23 1 4 23 1 27 5 -2 30 6 -2 30 7 -1 33 8 -1 34 9 -2 35 10 -1 11 24 2 28 12 -2 29 13 -1 14 15 1 14 23 2 15 16 1 16 27 1 17 18 1 17 29 1 18 33 1 19 20 1 19 31 1 20 34 1 21 24 1 21 35 1 22 28 1 22 32 1 24 25 1 25 26 2 25 33 1 26 28 1 26 34 1 27 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', '35 38 H 18.15 -10.62 H 13.26 -14.73 C:26 24.89 -9.51 C:18 23.05 -11.14 C:18 17.85 -7.27 C:28 12.76 -15.56 C:16 11.25 -15.56 C:17 13.26 -10.78 C:27 17.04 -12.95 C:17 17.04 -8.66 O 13.33 -9.38 O 16.95 -14.39 O 9.64 -14.39 C:125 22.55 -8.75 C:25 21.14 -9.02 C:36 20.19 -8.00 C:28 10.81 -12.21 C:34 12.04 -11.47 C:27 19.18 -10.78 C:30 18.35 -11.90 C:52 15.76 -9.38 C:28 14.54 -14.39 C:131 23.49 -9.82 C:201 14.54 -10.07 C:141 14.54 -11.47 C:160 15.76 -12.21 C:36 18.78 -8.29 C:68 15.76 -13.67 C:79 10.81 -13.67 C:39 12.04 -14.39 C:50 18.35 -9.65 C:46 13.26 -13.67 C:39 13.26 -12.21 C:47 17.04 -11.47 C:51 17.04 -10.07 31 1 -2 32 2 -2 3 23 1 4 23 1 27 5 -2 30 6 -2 30 7 -1 33 8 -1 34 9 -2 35 10 -1 11 24 2 28 12 -2 29 13 -1 14 15 1 14 23 2 15 16 1 16 27 1 17 18 1 17 29 1 18 33 1 19 20 1 19 31 1 20 34 1 21 24 1 21 35 1 22 28 1 22 32 1 24 25 1 25 26 2 25 33 1 26 28 1 26 34 1 27 31 1 29 30 1 30 32 1 31 35 1 32 33 1 34 35 1', 'C30H48O3', 456.335, 'C', 'hca07_2245_3', 4111, '', '', '1', 1, NULL, NULL),
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(16406, '(20E)-22-Hydroxynigrum-20-en-3-one', '4b,5b,9b,10a,17b)-17-[(3E)-5-Hydroxy-1,5-dimethylhex-3-en-1-yl]-4,5,9,14-tetramethylestran-3-one', 'Terpenoids', 'Triterpenoids', 'Miscellanea', '[H][C@:17]3([C@H:18]([CH3:28])[CH2:19][CH:20]=[CH:21][C:22]([CH3:30])([CH3:29])O)[CH2:16][CH2:15][C@@:14]4([CH3:26])[C@@:8]2([H])[CH2:7][CH2:6][C@:5]1([CH3:24])[C@@H:4]([CH3:23])[C:3](=O)[CH2:2][CH2:1][C@@:10]1([H])[C@:9]2([CH3:25])[CH2:11][CH2:12][C@:13]34[CH3:27]', '[H][C@]3([C@H](C)CC=CC(C)(C)O)CC[C@@]4(C)[C@@]2([H])CC[C@]1(C)[C@@H](C)C(=O)CC[C@@]1([H])[C@]2(C)CC[C@]34C', '[H][C@:50]3([C@H:37]([CH3:19])[CH2:39][CH:126]=[CH:140][C:71]([CH3:30])([CH3:30])O)[CH2:28][CH2:36][C@@:51]4([CH3:23])[C@@:45]2([H])[CH2:20][CH2:35][C@:41]1([CH3:16])[C@@H:59]([CH3:7])[C:213](=O)[CH2:42][CH2:24][C@@:49]1([H])[C@:36]2([CH3:29])[CH2:35][CH2:32][C@:46]34[CH3:16]', '35 38 H 18.13 -10.52 H 13.22 -11.03 H 15.74 -11.03 C:28 17.83 -7.15 C:23 11.99 -15.68 C:30 23.05 -11.03 C:29 24.91 -9.40 C:24 13.22 -14.98 C:25 14.51 -12.77 C:27 16.99 -8.55 C:26 17.01 -12.86 O 9.57 -14.32 O 24.41 -10.77 C:20 21.14 -8.91 C:21 22.56 -8.63 C:19 20.19 -7.88 C:2 10.75 -12.12 C:1 11.99 -11.37 C:16 19.17 -10.68 C:7 15.74 -13.58 C:6 14.51 -14.28 C:15 18.33 -11.80 C:11 14.51 -9.96 C:12 15.74 -9.23 C:3 10.75 -13.58 C:18 18.77 -8.18 C:4 11.99 -14.28 C:22 23.49 -9.71 C:17 18.33 -9.53 C:10 13.22 -12.12 C:8 15.74 -12.12 C:5 13.22 -13.58 C:9 14.51 -11.37 C:13 16.99 -9.96 C:14 16.99 -11.37 29 1 -2 30 2 -2 31 3 -2 26 4 -2 27 5 -1 6 28 1 7 28 1 32 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 13 28 1 14 15 2 14 16 1 15 28 1 16 26 1 17 18 1 17 25 1 18 30 1 19 22 1 19 29 1 20 21 1 20 31 1 21 32 1 22 35 1 23 24 1 23 33 1 24 34 1 25 27 1 26 29 1 27 32 1 29 34 1 30 32 1 30 33 1 31 33 1 31 35 1 34 35 1', '35 38 H 18.13 -10.52 H 13.22 -11.03 H 15.74 -11.03 C 17.83 -7.15 C 11.99 -15.68 C 23.05 -11.03 C 24.91 -9.40 C 13.22 -14.98 C 14.51 -12.77 C 16.99 -8.55 C 17.01 -12.86 O 9.57 -14.32 O 24.41 -10.77 C 21.14 -8.91 C 22.56 -8.63 C 20.19 -7.88 C 10.75 -12.12 C 11.99 -11.37 C 19.17 -10.68 C 15.74 -13.58 C 14.51 -14.28 C 18.33 -11.80 C 14.51 -9.96 C 15.74 -9.23 C 10.75 -13.58 C 18.77 -8.18 C 11.99 -14.28 C 23.49 -9.71 C 18.33 -9.53 C 13.22 -12.12 C 15.74 -12.12 C 13.22 -13.58 C 14.51 -11.37 C 16.99 -9.96 C 16.99 -11.37 29 1 -2 30 2 -2 31 3 -2 26 4 -2 27 5 -1 6 28 1 7 28 1 32 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 13 28 1 14 15 2 14 16 1 15 28 1 16 26 1 17 18 1 17 25 1 18 30 1 19 22 1 19 29 1 20 21 1 20 31 1 21 32 1 22 35 1 23 24 1 23 33 1 24 34 1 25 27 1 26 29 1 27 32 1 29 34 1 30 32 1 30 33 1 31 33 1 31 35 1 34 35 1', '35 38 H 18.13 -10.52 H 13.22 -11.03 H 15.74 -11.03 C:19 17.83 -7.15 C:7 11.99 -15.68 C:30 23.05 -11.03 C:30 24.91 -9.40 C:16 13.22 -14.98 C:29 14.51 -12.77 C:16 16.99 -8.55 C:23 17.01 -12.86 O 9.57 -14.32 O 24.41 -10.77 C:126 21.14 -8.91 C:140 22.56 -8.63 C:39 20.19 -7.88 C:42 10.75 -12.12 C:24 11.99 -11.37 C:28 19.17 -10.68 C:20 15.74 -13.58 C:35 14.51 -14.28 C:36 18.33 -11.80 C:35 14.51 -9.96 C:32 15.74 -9.23 C:213 10.75 -13.58 C:37 18.77 -8.18 C:59 11.99 -14.28 C:71 23.49 -9.71 C:50 18.33 -9.53 C:49 13.22 -12.12 C:45 15.74 -12.12 C:41 13.22 -13.58 C:36 14.51 -11.37 C:46 16.99 -9.96 C:51 16.99 -11.37 29 1 -2 30 2 -2 31 3 -2 26 4 -2 27 5 -1 6 28 1 7 28 1 32 8 -1 33 9 -1 34 10 -1 35 11 -2 12 25 2 13 28 1 14 15 2 14 16 1 15 28 1 16 26 1 17 18 1 17 25 1 18 30 1 19 22 1 19 29 1 20 21 1 20 31 1 21 32 1 22 35 1 23 24 1 23 33 1 24 34 1 25 27 1 26 29 1 27 32 1 29 34 1 30 32 1 30 33 1 31 33 1 31 35 1 34 35 1', 'C30H50O2', 442.344, 'C', 'hca08_850_1', 4112, '', '', '1', 1, NULL, NULL),
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