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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(14593, 'Syphonosideol', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]13[CH2:1][CH2:2][CH:3]=[C:4]2[C:18](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O[C:205](=O)[CH2:204][C@:203]([CH3:206])(O)[CH2:202][C:201](=O)O[CH2:15][CH:14]=[C:13]([CH3:16])[CH2:12][C@@H:11](O)[C@@:9]1([CH3:20])[C@H:8]([CH3:17])[CH2:7][CH2:6][C@@:5]23[CH3:19])[C@@H:104](O)[C@H:103](O)[C@H:102]4O', '[H][C@@]13CCC=C2C(=O)O[C@@H]4O[C@H](COC(=O)C[C@](C)(O)CC(=O)OCC=C(C)C[C@@H](O)[C@@]1(C)[C@H](C)CC[C@@]23C)[C@@H](O)[C@H](O)[C@H]4O', '[H][C@@:45]13[CH2:19][CH2:27][CH:139]=[C:142]2[C:168](=O)O[C@@H:95]4O[C@H:75]([CH2:62]O[C:171](=O)[CH2:47][C@:70]([CH3:27])(O)[CH2:44][C:172](=O)O[CH2:62][CH:122]=[C:140]([CH3:16])[CH2:45][C@@H:74](O)[C@@:44]1([CH3:13])[C@H:34]([CH3:19])[CH2:28][CH2:35][C@@:38]23[CH3:21])[C@@H:70](O)[C@H:77](O)[C@H:73]4O', '45 48 H 13.64 -7.67 C:16 17.23 -7.90 C:17 17.51 -8.70 C:206 22.18 -9.17 C:19 13.64 -11.53 C:20 15.89 -7.05 O 23.29 -5.70 O 20.84 -11.53 O 11.20 -12.91 O 13.56 -5.87 O 15.98 -17.14 O 18.44 -15.72 O 13.56 -15.72 O 21.17 -10.11 C:3 11.20 -10.11 C:14 18.44 -5.77 C:2 11.20 -8.70 C:15 19.63 -6.43 C:7 16.07 -10.11 C:1 12.40 -7.98 C:6 14.77 -10.82 C:106 18.44 -12.91 C:12 15.98 -5.87 C:202 22.10 -7.76 C:204 19.63 -9.46 O 20.84 -5.70 O 18.44 -11.53 O 13.56 -12.91 O 15.98 -12.91 C:13 17.23 -6.50 C:201 22.10 -6.37 C:205 19.63 -10.82 C:18 12.40 -12.24 C:4 12.40 -10.82 C:8 16.07 -8.70 C:11 14.77 -6.56 C:103 15.98 -15.72 C:104 17.23 -15.02 C:102 14.77 -15.02 C:105 17.23 -13.62 C:101 14.77 -13.62 C:203 20.84 -8.77 C:5 13.64 -10.11 C:10 13.64 -8.70 C:9 14.77 -7.98 44 1 -1 2 30 1 35 3 -2 42 4 -2 43 5 -2 45 6 -2 7 31 2 8 32 2 9 33 2 36 10 -2 37 11 -2 38 12 -1 39 13 -1 42 14 -1 15 17 1 15 34 2 16 18 1 16 30 2 17 20 1 18 26 1 19 21 1 19 35 1 20 44 1 21 43 1 22 27 1 40 22 -2 23 30 1 23 36 1 24 31 1 24 42 1 25 32 1 25 42 1 26 31 1 27 32 1 28 33 1 41 28 -2 29 40 1 29 41 1 33 34 1 34 43 1 35 45 1 36 45 1 37 38 1 37 39 1 38 40 1 39 41 1 43 44 1 44 45 1', '45 48 H 13.64 -7.67 C 17.23 -7.90 C 17.51 -8.70 C 22.18 -9.17 C 13.64 -11.53 C 15.89 -7.05 O 23.29 -5.70 O 20.84 -11.53 O 11.20 -12.91 O 13.56 -5.87 O 15.98 -17.14 O 18.44 -15.72 O 13.56 -15.72 O 21.17 -10.11 C 11.20 -10.11 C 18.44 -5.77 C 11.20 -8.70 C 19.63 -6.43 C 16.07 -10.11 C 12.40 -7.98 C 14.77 -10.82 C 18.44 -12.91 C 15.98 -5.87 C 22.10 -7.76 C 19.63 -9.46 O 20.84 -5.70 O 18.44 -11.53 O 13.56 -12.91 O 15.98 -12.91 C 17.23 -6.50 C 22.10 -6.37 C 19.63 -10.82 C 12.40 -12.24 C 12.40 -10.82 C 16.07 -8.70 C 14.77 -6.56 C 15.98 -15.72 C 17.23 -15.02 C 14.77 -15.02 C 17.23 -13.62 C 14.77 -13.62 C 20.84 -8.77 C 13.64 -10.11 C 13.64 -8.70 C 14.77 -7.98 44 1 -1 2 30 1 35 3 -2 42 4 -2 43 5 -2 45 6 -2 7 31 2 8 32 2 9 33 2 36 10 -2 37 11 -2 38 12 -1 39 13 -1 42 14 -1 15 17 1 15 34 2 16 18 1 16 30 2 17 20 1 18 26 1 19 21 1 19 35 1 20 44 1 21 43 1 22 27 1 40 22 -2 23 30 1 23 36 1 24 31 1 24 42 1 25 32 1 25 42 1 26 31 1 27 32 1 28 33 1 41 28 -2 29 40 1 29 41 1 33 34 1 34 43 1 35 45 1 36 45 1 37 38 1 37 39 1 38 40 1 39 41 1 43 44 1 44 45 1', '45 48 H 13.64 -7.67 C:16 17.23 -7.90 C:19 17.51 -8.70 C:27 22.18 -9.17 C:21 13.64 -11.53 C:13 15.89 -7.05 O 23.29 -5.70 O 20.84 -11.53 O 11.20 -12.91 O 13.56 -5.87 O 15.98 -17.14 O 18.44 -15.72 O 13.56 -15.72 O 21.17 -10.11 C:139 11.20 -10.11 C:122 18.44 -5.77 C:27 11.20 -8.70 C:62 19.63 -6.43 C:28 16.07 -10.11 C:19 12.40 -7.98 C:35 14.77 -10.82 C:62 18.44 -12.91 C:45 15.98 -5.87 C:44 22.10 -7.76 C:47 19.63 -9.46 O 20.84 -5.70 O 18.44 -11.53 O 13.56 -12.91 O 15.98 -12.91 C:140 17.23 -6.50 C:172 22.10 -6.37 C:171 19.63 -10.82 C:168 12.40 -12.24 C:142 12.40 -10.82 C:34 16.07 -8.70 C:74 14.77 -6.56 C:77 15.98 -15.72 C:70 17.23 -15.02 C:73 14.77 -15.02 C:75 17.23 -13.62 C:95 14.77 -13.62 C:70 20.84 -8.77 C:38 13.64 -10.11 C:45 13.64 -8.70 C:44 14.77 -7.98 44 1 -1 2 30 1 35 3 -2 42 4 -2 43 5 -2 45 6 -2 7 31 2 8 32 2 9 33 2 36 10 -2 37 11 -2 38 12 -1 39 13 -1 42 14 -1 15 17 1 15 34 2 16 18 1 16 30 2 17 20 1 18 26 1 19 21 1 19 35 1 20 44 1 21 43 1 22 27 1 40 22 -2 23 30 1 23 36 1 24 31 1 24 42 1 25 32 1 25 42 1 26 31 1 27 32 1 28 33 1 41 28 -2 29 40 1 29 41 1 33 34 1 34 43 1 35 45 1 36 45 1 37 38 1 37 39 1 38 40 1 39 41 1 43 44 1 44 45 1', 'C32H48O12', 624.343, 'C', 'tt08_191_2', 3721, '', '', '1', 47, NULL, NULL),
(14594, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]13[CH2:1][CH2:2][CH:3]=[C:4]2[C:18](=O)O[C@@H:101]4O[C@H:105]([CH2:106]O[C:205](=O)[CH2:204][C@:203]([CH3:206])(O)[CH2:202][C:201](=O)O[CH2:15][CH:14]=[C:13]([CH3:16])[CH2:12][C@@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([CH3:20])[C@H:8]([CH3:17])[CH2:7][CH2:6][C@@:5]23[CH3:19])[C@@H:104](O[C:104001]([CH3:104002])=O)[C@H:103](O[C:103001]([CH3:103002])=O)[C@H:102]4O[C:102001]([CH3:102002])=O', '[H][C@@]13CCC=C2C(=O)O[C@@H]4O[C@H](COC(=O)C[C@](C)(O)CC(=O)OCC=C(C)C[C@@H](OC(C)=O)[C@@]1(C)[C@H](C)CC[C@@]23C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O', 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(14599, '8-0-Nicotinoylbarbatin A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O)[C@H:7](O)[C@:8]([CH3:17])(O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105]n[cH:103]2)[C@:9]3([CH3:20])[CH:11]=[CH:12][C:13]4=[CH:14][C:15](=O)O[CH2:16]4', '[H][C@]13CCC=C(C)[C@]1(C)[C@@H](O)[C@H](O)[C@](C)(OC(=O)c2cccnc2)[C@]3(C)C=CC4=CC(=O)OC4', '[H][C@:43]13[CH2:20][CH2:26][CH:124]=[C:141]([CH3:21])[C@:43]1([CH3:18])[C@@H:75](O)[C@H:77](O)[C@:77]([CH3:23])(O[C:164](=O)[c:126]2[cH:138][cH:124][cH:154]n[cH:151]2)[C@:48]3([CH3:16])[CH:148]=[CH:122][C:162]4=[CH:115][C:174](=O)O[CH2:9999]4', '34 37 H 14.34 -12.38 C:18 13.13 -16.93 C:20 16.62 -11.75 C:17 18.13 -13.92 C:19 14.34 -16.23 O 15.79 -5.89 O 19.56 -14.14 O 18.06 -15.54 O 15.57 -16.93 C:12 14.34 -10.55 C:11 15.57 -11.25 C:3 11.89 -14.81 C:14 15.47 -8.35 C:106 22.61 -11.25 C:105 22.29 -9.90 C:107 21.59 -12.22 C:103 19.94 -10.46 C:2 11.89 -13.41 C:16 13.20 -8.35 C:1 13.13 -12.68 N 20.94 -9.50 O 13.61 -7.04 O 17.90 -12.38 C:15 15.00 -7.04 C:4 13.13 -15.54 C:13 14.34 -9.18 C:101 19.24 -12.78 C:102 20.26 -11.82 C:7 16.80 -14.81 C:6 15.57 -15.54 C:9 15.57 -12.68 C:10 14.34 -13.41 C:8 16.80 -13.41 C:5 14.34 -14.81 32 1 -1 2 25 1 31 3 -2 33 4 -2 34 5 -2 6 24 2 7 27 2 29 8 -1 30 9 -2 10 11 2 10 26 1 11 31 1 12 18 1 12 25 2 13 24 1 13 26 2 14 15 1 14 16 2 15 21 2 16 28 1 17 21 1 17 28 2 18 20 1 19 22 1 19 26 1 20 32 1 22 24 1 23 27 1 33 23 -1 25 34 1 27 28 1 29 30 1 29 33 1 30 34 1 31 32 1 31 33 1 32 34 1', '34 37 H 14.34 -12.38 C 13.13 -16.93 C 16.62 -11.75 C 18.13 -13.92 C 14.34 -16.23 O 15.79 -5.89 O 19.56 -14.14 O 18.06 -15.54 O 15.57 -16.93 C 14.34 -10.55 C 15.57 -11.25 C 11.89 -14.81 C 15.47 -8.35 C 22.61 -11.25 C 22.29 -9.90 C 21.59 -12.22 C 19.94 -10.46 C 11.89 -13.41 C 13.20 -8.35 C 13.13 -12.68 N 20.94 -9.50 O 13.61 -7.04 O 17.90 -12.38 C 15.00 -7.04 C 13.13 -15.54 C 14.34 -9.18 C 19.24 -12.78 C 20.26 -11.82 C 16.80 -14.81 C 15.57 -15.54 C 15.57 -12.68 C 14.34 -13.41 C 16.80 -13.41 C 14.34 -14.81 32 1 -1 2 25 1 31 3 -2 33 4 -2 34 5 -2 6 24 2 7 27 2 29 8 -1 30 9 -2 10 11 2 10 26 1 11 31 1 12 18 1 12 25 2 13 24 1 13 26 2 14 15 1 14 16 2 15 21 2 16 28 1 17 21 1 17 28 2 18 20 1 19 22 1 19 26 1 20 32 1 22 24 1 23 27 1 33 23 -1 25 34 1 27 28 1 29 30 1 29 33 1 30 34 1 31 32 1 31 33 1 32 34 1', '34 37 H 14.34 -12.38 C:21 13.13 -16.93 C:16 16.62 -11.75 C:23 18.13 -13.92 C:18 14.34 -16.23 O 15.79 -5.89 O 19.56 -14.14 O 18.06 -15.54 O 15.57 -16.93 C:122 14.34 -10.55 C:148 15.57 -11.25 C:124 11.89 -14.81 C:115 15.47 -8.35 C:124 22.61 -11.25 C:154 22.29 -9.90 C:138 21.59 -12.22 C:151 19.94 -10.46 C:26 11.89 -13.41 C 13.20 -8.35 C:20 13.13 -12.68 N 20.94 -9.50 O 13.61 -7.04 O 17.90 -12.38 C:174 15.00 -7.04 C:141 13.13 -15.54 C:162 14.34 -9.18 C:164 19.24 -12.78 C:126 20.26 -11.82 C:77 16.80 -14.81 C:75 15.57 -15.54 C:48 15.57 -12.68 C:43 14.34 -13.41 C:77 16.80 -13.41 C:43 14.34 -14.81 32 1 -1 2 25 1 31 3 -2 33 4 -2 34 5 -2 6 24 2 7 27 2 29 8 -1 30 9 -2 10 11 2 10 26 1 11 31 1 12 18 1 12 25 2 13 24 1 13 26 2 14 15 1 14 16 2 15 21 2 16 28 1 17 21 1 17 28 2 18 20 1 19 22 1 19 26 1 20 32 1 22 24 1 23 27 1 33 23 -1 25 34 1 27 28 1 29 30 1 29 33 1 30 34 1 31 32 1 31 33 1 32 34 1', 'C26H31NO6', 453.289, 'C', 'pm07_1217_3', 3722, 'Signa 174.4ppm not in the paper', 'Se lo he añadido yo', '1', 47, NULL, NULL),
(14600, '2-Carbonylscutebarbatine A', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]14[CH2:1][C:2](=O)[CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C:101](=O)[c:102]2[cH:107][cH:106][cH:105]n[cH:103]2)[C@H:7](O[C:201](=O)[c:202]3[cH:207][cH:206][cH:205]n[cH:203]3)[C@:8]([CH3:17])(O)[C@:9]4([CH3:20])[CH:11]=[CH:12][C:13]5=[CH:14][C:15](=O)O[CH2:16]5', '[H][C@]14CC(=O)C=C(C)[C@]1(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c3cccnc3)[C@](C)(O)[C@]4(C)C=CC5=CC(=O)OC5', '[H][C@:42]14[CH2:36][C:198](=O)[CH:128]=[C:168]([CH3:21])[C@:45]1([CH3:16])[C@@H:75](O[C:168](=O)[c:126]2[cH:138][cH:124][cH:154]n[cH:151]2)[C@H:76](O[C:165](=O)[c:125]3[cH:137][cH:123][cH:154]n[cH:151]3)[C@:77]([CH3:23])(O)[C@:48]4([CH3:15])[CH:144]=[CH:124][C:162]5=[CH:116][C:174](=O)O[CH2:9999]5', '43 47 H 14.84 -9.91 C:18 13.64 -14.47 C:17 18.62 -11.44 C:20 17.13 -9.28 C:19 14.84 -13.77 O 11.16 -10.27 O 16.30 -3.43 O 19.74 -10.93 O 18.42 -14.47 O 18.42 -9.91 C:12 14.84 -8.08 C:11 16.08 -8.78 C:3 12.40 -12.35 C:14 15.98 -5.89 C:206 22.17 -15.14 C:106 15.98 -18.68 C:205 23.38 -14.47 C:105 17.20 -19.38 C:207 20.96 -14.47 C:107 15.98 -17.27 C:203 22.17 -12.35 C:103 18.42 -17.27 C:16 13.71 -5.89 C:1 13.64 -10.21 N 23.38 -13.08 N 18.42 -18.68 O 14.13 -4.58 O 18.53 -13.08 O 16.08 -14.47 C:2 12.40 -10.93 C:15 15.51 -4.58 C:4 13.64 -13.08 C:13 14.84 -6.73 C:201 19.74 -12.35 C:101 17.20 -15.20 C:202 20.96 -13.08 C:102 17.20 -16.58 C:7 17.31 -12.35 C:6 16.08 -13.08 C:8 17.31 -10.93 C:9 16.08 -10.21 C:10 14.84 -10.93 C:5 14.84 -12.35 42 1 -1 2 32 1 40 3 -2 41 4 -2 43 5 -2 6 30 2 7 31 2 8 34 2 9 35 2 40 10 -1 11 12 2 11 33 1 12 41 1 13 30 1 13 32 2 14 31 1 14 33 2 15 17 1 15 19 2 16 18 1 16 20 2 17 25 2 18 26 2 19 36 1 20 37 1 21 25 1 21 36 2 22 26 1 22 37 2 23 27 1 23 33 1 24 30 1 24 42 1 27 31 1 28 34 1 38 28 -1 29 35 1 39 29 -2 32 43 1 34 36 1 35 37 1 38 39 1 38 40 1 39 43 1 40 41 1 41 42 1 42 43 1', '43 47 H 14.84 -9.91 C 13.64 -14.47 C 18.62 -11.44 C 17.13 -9.28 C 14.84 -13.77 O 11.16 -10.27 O 16.30 -3.43 O 19.74 -10.93 O 18.42 -14.47 O 18.42 -9.91 C 14.84 -8.08 C 16.08 -8.78 C 12.40 -12.35 C 15.98 -5.89 C 22.17 -15.14 C 15.98 -18.68 C 23.38 -14.47 C 17.20 -19.38 C 20.96 -14.47 C 15.98 -17.27 C 22.17 -12.35 C 18.42 -17.27 C 13.71 -5.89 C 13.64 -10.21 N 23.38 -13.08 N 18.42 -18.68 O 14.13 -4.58 O 18.53 -13.08 O 16.08 -14.47 C 12.40 -10.93 C 15.51 -4.58 C 13.64 -13.08 C 14.84 -6.73 C 19.74 -12.35 C 17.20 -15.20 C 20.96 -13.08 C 17.20 -16.58 C 17.31 -12.35 C 16.08 -13.08 C 17.31 -10.93 C 16.08 -10.21 C 14.84 -10.93 C 14.84 -12.35 42 1 -1 2 32 1 40 3 -2 41 4 -2 43 5 -2 6 30 2 7 31 2 8 34 2 9 35 2 40 10 -1 11 12 2 11 33 1 12 41 1 13 30 1 13 32 2 14 31 1 14 33 2 15 17 1 15 19 2 16 18 1 16 20 2 17 25 2 18 26 2 19 36 1 20 37 1 21 25 1 21 36 2 22 26 1 22 37 2 23 27 1 23 33 1 24 30 1 24 42 1 27 31 1 28 34 1 38 28 -1 29 35 1 39 29 -2 32 43 1 34 36 1 35 37 1 38 39 1 38 40 1 39 43 1 40 41 1 41 42 1 42 43 1', '43 47 H 14.84 -9.91 C:21 13.64 -14.47 C:23 18.62 -11.44 C:15 17.13 -9.28 C:16 14.84 -13.77 O 11.16 -10.27 O 16.30 -3.43 O 19.74 -10.93 O 18.42 -14.47 O 18.42 -9.91 C:124 14.84 -8.08 C:144 16.08 -8.78 C:128 12.40 -12.35 C:116 15.98 -5.89 C:123 22.17 -15.14 C:124 15.98 -18.68 C:154 23.38 -14.47 C:154 17.20 -19.38 C:137 20.96 -14.47 C:138 15.98 -17.27 C:151 22.17 -12.35 C:151 18.42 -17.27 C 13.71 -5.89 C:36 13.64 -10.21 N 23.38 -13.08 N 18.42 -18.68 O 14.13 -4.58 O 18.53 -13.08 O 16.08 -14.47 C:198 12.40 -10.93 C:174 15.51 -4.58 C:168 13.64 -13.08 C:162 14.84 -6.73 C:165 19.74 -12.35 C:168 17.20 -15.20 C:125 20.96 -13.08 C:126 17.20 -16.58 C:76 17.31 -12.35 C:75 16.08 -13.08 C:77 17.31 -10.93 C:48 16.08 -10.21 C:42 14.84 -10.93 C:45 14.84 -12.35 42 1 -1 2 32 1 40 3 -2 41 4 -2 43 5 -2 6 30 2 7 31 2 8 34 2 9 35 2 40 10 -1 11 12 2 11 33 1 12 41 1 13 30 1 13 32 2 14 31 1 14 33 2 15 17 1 15 19 2 16 18 1 16 20 2 17 25 2 18 26 2 19 36 1 20 37 1 21 25 1 21 36 2 22 26 1 22 37 2 23 27 1 23 33 1 24 30 1 24 42 1 27 31 1 28 34 1 38 28 -1 29 35 1 39 29 -2 32 43 1 34 36 1 35 37 1 38 39 1 38 40 1 39 43 1 40 41 1 41 42 1 42 43 1', 'C32H32N2O8', 572.359, 'C', 'pm07_1217_4', 3722, '', '', '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
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(14619, '', '15,16-Epoxy-15R-methoxy-ent-clerod-3-en-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C@@H:13]3[CH2:16]O[C@@H:15](O[CH3:15001])[CH2:14]3', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H]3CO[C@@H](OC)C3', '[H][C@:47]12[CH2:18][CH2:27][CH:140]=[C:142]([C:173](=O)O)[C@:38]1([CH3:21])[CH2:36][CH2:27][C@@H:37]([CH3:16])[C@:39]2([CH3:18])[CH2:36][CH2:28][C@@H:38]3[CH2:73]O[C@@H:105](O[CH3:55])[CH2:39]3', '26 28 H 16.63 -12.06 C:15001 19.54 -5.64 C:17 20.32 -12.36 C:19 16.63 -15.94 C:20 18.92 -11.43 O 16.63 -17.35 O 14.20 -17.35 C:3 14.20 -14.51 C:2 14.20 -13.08 C:7 19.11 -14.51 C:12 16.63 -10.22 C:1 15.42 -12.36 C:6 17.86 -15.22 C:11 17.86 -10.95 C:16 15.50 -7.96 C:14 17.78 -7.96 O 18.16 -5.50 O 15.93 -6.63 C:18 15.42 -16.65 C:4 15.42 -15.22 C:8 19.11 -13.08 C:13 16.63 -8.80 C:15 17.34 -6.63 C:5 16.63 -14.51 C:10 16.63 -13.08 C:9 17.86 -12.36 25 1 -1 2 17 1 21 3 -2 24 4 -2 26 5 -2 6 19 2 7 19 1 8 9 1 8 20 2 9 12 1 10 13 1 10 21 1 11 14 1 22 11 -2 12 25 1 13 24 1 14 26 1 15 18 1 15 22 1 16 22 1 16 23 1 23 17 -1 18 23 1 19 20 1 20 24 1 21 26 1 24 25 1 25 26 1', '26 28 H 16.63 -12.06 C 19.54 -5.64 C 20.32 -12.36 C 16.63 -15.94 C 18.92 -11.43 O 16.63 -17.35 O 14.20 -17.35 C 14.20 -14.51 C 14.20 -13.08 C 19.11 -14.51 C 16.63 -10.22 C 15.42 -12.36 C 17.86 -15.22 C 17.86 -10.95 C 15.50 -7.96 C 17.78 -7.96 O 18.16 -5.50 O 15.93 -6.63 C 15.42 -16.65 C 15.42 -15.22 C 19.11 -13.08 C 16.63 -8.80 C 17.34 -6.63 C 16.63 -14.51 C 16.63 -13.08 C 17.86 -12.36 25 1 -1 2 17 1 21 3 -2 24 4 -2 26 5 -2 6 19 2 7 19 1 8 9 1 8 20 2 9 12 1 10 13 1 10 21 1 11 14 1 22 11 -2 12 25 1 13 24 1 14 26 1 15 18 1 15 22 1 16 22 1 16 23 1 23 17 -1 18 23 1 19 20 1 20 24 1 21 26 1 24 25 1 25 26 1', '26 28 H 16.63 -12.06 C:55 19.54 -5.64 C:16 20.32 -12.36 C:21 16.63 -15.94 C:18 18.92 -11.43 O 16.63 -17.35 O 14.20 -17.35 C:140 14.20 -14.51 C:27 14.20 -13.08 C:27 19.11 -14.51 C:28 16.63 -10.22 C:18 15.42 -12.36 C:36 17.86 -15.22 C:36 17.86 -10.95 C:73 15.50 -7.96 C:39 17.78 -7.96 O 18.16 -5.50 O 15.93 -6.63 C:173 15.42 -16.65 C:142 15.42 -15.22 C:37 19.11 -13.08 C:38 16.63 -8.80 C:105 17.34 -6.63 C:38 16.63 -14.51 C:47 16.63 -13.08 C:39 17.86 -12.36 25 1 -1 2 17 1 21 3 -2 24 4 -2 26 5 -2 6 19 2 7 19 1 8 9 1 8 20 2 9 12 1 10 13 1 10 21 1 11 14 1 22 11 -2 12 25 1 13 24 1 14 26 1 15 18 1 15 22 1 16 22 1 16 23 1 23 17 -1 18 23 1 19 20 1 20 24 1 21 26 1 24 25 1 25 26 1', 'C21H34O4', 350.23, 'C', 'np06_274_1', 3725, '', '', '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
(14620, '', '13-Epi-15,16-epoxy-15R-methoxy-ent-clerod-3-en-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C@@H:13]3[CH2:16]O[C@H:15](O[CH3:15001])[CH2:14]3', '[H][C@]12CCC=C(C(=O)O)[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H]3CO[C@H](OC)C3', '[H][C@:47]12[CH2:18][CH2:27][CH:140]=[C:142]([C:173](=O)O)[C@:38]1([CH3:21])[CH2:36][CH2:28][C@@H:38]([CH3:16])[C@:39]2([CH3:18])[CH2:36][CH2:27][C@@H:39]3[CH2:72]O[C@H:106](O[CH3:55])[CH2:39]3', '26 28 H 16.61 -12.05 C:15001 19.52 -5.64 C:17 20.30 -12.35 C:19 16.61 -15.93 C:20 18.90 -11.42 O 16.61 -17.33 O 14.19 -17.33 C:3 14.19 -14.50 C:2 14.19 -13.07 C:7 19.09 -14.50 C:12 16.61 -10.21 C:1 15.41 -12.35 C:6 17.84 -15.21 C:11 17.84 -10.94 C:16 15.49 -7.96 C:14 17.76 -7.96 O 18.14 -5.50 O 15.92 -6.63 C:18 15.41 -16.63 C:4 15.41 -15.21 C:8 19.09 -13.07 C:13 16.61 -8.79 C:15 17.32 -6.63 C:5 16.61 -14.50 C:10 16.61 -13.07 C:9 17.84 -12.35 25 1 -1 2 17 1 21 3 -2 24 4 -2 26 5 -2 6 19 2 7 19 1 8 9 1 8 20 2 9 12 1 10 13 1 10 21 1 11 14 1 22 11 -2 12 25 1 13 24 1 14 26 1 15 18 1 15 22 1 16 22 1 16 23 1 23 17 -2 18 23 1 19 20 1 20 24 1 21 26 1 24 25 1 25 26 1', '26 28 H 16.61 -12.05 C 19.52 -5.64 C 20.30 -12.35 C 16.61 -15.93 C 18.90 -11.42 O 16.61 -17.33 O 14.19 -17.33 C 14.19 -14.50 C 14.19 -13.07 C 19.09 -14.50 C 16.61 -10.21 C 15.41 -12.35 C 17.84 -15.21 C 17.84 -10.94 C 15.49 -7.96 C 17.76 -7.96 O 18.14 -5.50 O 15.92 -6.63 C 15.41 -16.63 C 15.41 -15.21 C 19.09 -13.07 C 16.61 -8.79 C 17.32 -6.63 C 16.61 -14.50 C 16.61 -13.07 C 17.84 -12.35 25 1 -1 2 17 1 21 3 -2 24 4 -2 26 5 -2 6 19 2 7 19 1 8 9 1 8 20 2 9 12 1 10 13 1 10 21 1 11 14 1 22 11 -2 12 25 1 13 24 1 14 26 1 15 18 1 15 22 1 16 22 1 16 23 1 23 17 -2 18 23 1 19 20 1 20 24 1 21 26 1 24 25 1 25 26 1', '26 28 H 16.61 -12.05 C:55 19.52 -5.64 C:16 20.30 -12.35 C:21 16.61 -15.93 C:18 18.90 -11.42 O 16.61 -17.33 O 14.19 -17.33 C:140 14.19 -14.50 C:27 14.19 -13.07 C:28 19.09 -14.50 C:27 16.61 -10.21 C:18 15.41 -12.35 C:36 17.84 -15.21 C:36 17.84 -10.94 C:72 15.49 -7.96 C:39 17.76 -7.96 O 18.14 -5.50 O 15.92 -6.63 C:173 15.41 -16.63 C:142 15.41 -15.21 C:38 19.09 -13.07 C:39 16.61 -8.79 C:106 17.32 -6.63 C:38 16.61 -14.50 C:47 16.61 -13.07 C:39 17.84 -12.35 25 1 -1 2 17 1 21 3 -2 24 4 -2 26 5 -2 6 19 2 7 19 1 8 9 1 8 20 2 9 12 1 10 13 1 10 21 1 11 14 1 22 11 -2 12 25 1 13 24 1 14 26 1 15 18 1 15 22 1 16 22 1 16 23 1 23 17 -2 18 23 1 19 20 1 20 24 1 21 26 1 24 25 1 25 26 1', 'C21H34O4', 350.23, 'C', 'np06_274_2', 3725, '', '', '1', 1, NULL, NULL),
(14621, '', '7-Oxo-16-hydroxy-ent-clerod-3-en-15-oic acid methyl ester-18,19-olide', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][CH:3]=[C:4]1[C:18](=O)O[CH2:19][C@:5]12[CH2:6][C:7](=O)[C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][CH:13]([CH2:16]O)[CH2:14][C:15](=O)O[CH3:15001]', '[H][C@]23CCC=C1C(=O)OC[C@]12CC(=O)[C@@H](C)[C@]3(C)CCC(CO)CC(=O)OC', '[H][C@:48]23[CH2:20][CH2:28][CH:138]=[C:136]1[C:168](=O)O[CH2:71][C@:44]12[CH2:51][C:210](=O)[C@@H:52]([CH3:8])[C@:48]3([CH3:19])[CH2:35][CH2:24][CH:38]([CH2:65]O)[CH2:36][C:174](=O)O[CH3:52]', '28 30 H 16.01 -12.58 C:15001 20.90 -5.10 C:17 19.71 -12.87 C:20 18.33 -11.94 O 18.52 -6.47 O 19.71 -15.74 O 13.55 -17.80 O 17.23 -7.20 C:3 13.55 -15.03 C:2 13.55 -13.58 C:16 17.23 -8.58 C:12 18.52 -10.70 C:1 14.78 -12.87 C:11 17.23 -11.45 C:14 19.71 -8.58 C:19 16.86 -16.26 C:6 17.29 -15.74 O 20.90 -6.47 O 16.15 -17.26 C:15 19.71 -7.20 C:7 18.52 -15.03 C:18 14.78 -17.09 C:4 14.78 -15.74 C:8 18.52 -13.58 C:13 18.52 -9.31 C:10 16.01 -13.58 C:9 17.23 -12.87 C:5 16.01 -15.03 26 1 -1 2 18 1 24 3 -2 27 4 -2 5 20 2 6 21 2 7 22 2 8 11 1 9 10 1 9 23 2 10 13 1 11 25 1 12 14 1 12 25 1 13 26 1 14 27 1 15 20 1 15 25 1 16 19 1 28 16 -2 17 21 1 17 28 1 18 20 1 19 22 1 21 24 1 22 23 1 23 28 1 24 27 1 26 27 1 26 28 1', '28 30 H 16.01 -12.58 C 20.90 -5.10 C 19.71 -12.87 C 18.33 -11.94 O 18.52 -6.47 O 19.71 -15.74 O 13.55 -17.80 O 17.23 -7.20 C 13.55 -15.03 C 13.55 -13.58 C 17.23 -8.58 C 18.52 -10.70 C 14.78 -12.87 C 17.23 -11.45 C 19.71 -8.58 C 16.86 -16.26 C 17.29 -15.74 O 20.90 -6.47 O 16.15 -17.26 C 19.71 -7.20 C 18.52 -15.03 C 14.78 -17.09 C 14.78 -15.74 C 18.52 -13.58 C 18.52 -9.31 C 16.01 -13.58 C 17.23 -12.87 C 16.01 -15.03 26 1 -1 2 18 1 24 3 -2 27 4 -2 5 20 2 6 21 2 7 22 2 8 11 1 9 10 1 9 23 2 10 13 1 11 25 1 12 14 1 12 25 1 13 26 1 14 27 1 15 20 1 15 25 1 16 19 1 28 16 -2 17 21 1 17 28 1 18 20 1 19 22 1 21 24 1 22 23 1 23 28 1 24 27 1 26 27 1 26 28 1', '28 30 H 16.01 -12.58 C:52 20.90 -5.10 C:8 19.71 -12.87 C:19 18.33 -11.94 O 18.52 -6.47 O 19.71 -15.74 O 13.55 -17.80 O 17.23 -7.20 C:138 13.55 -15.03 C:28 13.55 -13.58 C:65 17.23 -8.58 C:24 18.52 -10.70 C:20 14.78 -12.87 C:35 17.23 -11.45 C:36 19.71 -8.58 C:71 16.86 -16.26 C:51 17.29 -15.74 O 20.90 -6.47 O 16.15 -17.26 C:174 19.71 -7.20 C:210 18.52 -15.03 C:168 14.78 -17.09 C:136 14.78 -15.74 C:52 18.52 -13.58 C:38 18.52 -9.31 C:48 16.01 -13.58 C:48 17.23 -12.87 C:44 16.01 -15.03 26 1 -1 2 18 1 24 3 -2 27 4 -2 5 20 2 6 21 2 7 22 2 8 11 1 9 10 1 9 23 2 10 13 1 11 25 1 12 14 1 12 25 1 13 26 1 14 27 1 15 20 1 15 25 1 16 19 1 28 16 -2 17 21 1 17 28 1 18 20 1 19 22 1 21 24 1 22 23 1 23 28 1 24 27 1 26 27 1 26 28 1', 'C21H30O6', 378.229, 'C', 'np06_274_3', 3725, '', '', '1', 1, NULL, NULL),
(14622, '', '3,4-Epoxyclerodan-13E-en-15-oic acid', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][C@H:3]1O[C@@:4]1([CH3:18])[C@@:5]2([CH3:19])[CH2:6][CH2:7][C@H:8]([CH3:17])[C@@:9]3([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O', '[H][C@]23CC[C@H]1O[C@@]1(C)[C@@]2(C)CC[C@H](C)[C@@]3(C)CCC(C)=CC(=O)O', '[H][C@:42]23[CH2:20][CH2:25][C@H:63]1O[C@@:66]1([CH3:19])[C@@:38]2([CH3:22])[CH2:31][CH2:27][C@H:37]([CH3:16])[C@@:39]3([CH3:30])[CH2:34][CH2:36][C:165]([CH3:20])=[CH:114][C:171](=O)O', '24 26 H 16.65 -12.15 C:16 15.42 -8.28 C:17 20.34 -12.46 C:20 18.94 -11.52 C:19 16.65 -16.00 C:18 15.42 -16.70 O 19.12 -6.11 O 16.65 -6.11 C:14 17.87 -8.28 C:12 16.65 -10.34 C:7 19.12 -14.60 C:2 14.21 -13.18 C:11 17.87 -11.03 C:1 15.42 -12.46 C:6 17.87 -15.31 O 14.21 -16.00 C:15 17.87 -6.84 C:13 16.65 -8.97 C:8 19.12 -13.18 C:3 14.21 -14.60 C:10 16.65 -13.18 C:9 17.87 -12.46 C:5 16.65 -14.60 C:4 15.42 -15.31 21 1 -1 2 18 1 19 3 -1 22 4 -1 23 5 -1 24 6 -1 7 17 2 8 17 1 9 17 1 9 18 2 10 13 1 10 18 1 11 15 1 11 19 1 12 14 1 12 20 1 13 22 1 14 21 1 15 23 1 20 16 -2 16 24 1 19 22 1 20 24 1 21 22 1 21 23 1 23 24 1', '24 26 H 16.65 -12.15 C 15.42 -8.28 C 20.34 -12.46 C 18.94 -11.52 C 16.65 -16.00 C 15.42 -16.70 O 19.12 -6.11 O 16.65 -6.11 C 17.87 -8.28 C 16.65 -10.34 C 19.12 -14.60 C 14.21 -13.18 C 17.87 -11.03 C 15.42 -12.46 C 17.87 -15.31 O 14.21 -16.00 C 17.87 -6.84 C 16.65 -8.97 C 19.12 -13.18 C 14.21 -14.60 C 16.65 -13.18 C 17.87 -12.46 C 16.65 -14.60 C 15.42 -15.31 21 1 -1 2 18 1 19 3 -1 22 4 -1 23 5 -1 24 6 -1 7 17 2 8 17 1 9 17 1 9 18 2 10 13 1 10 18 1 11 15 1 11 19 1 12 14 1 12 20 1 13 22 1 14 21 1 15 23 1 20 16 -2 16 24 1 19 22 1 20 24 1 21 22 1 21 23 1 23 24 1', '24 26 H 16.65 -12.15 C:20 15.42 -8.28 C:16 20.34 -12.46 C:30 18.94 -11.52 C:22 16.65 -16.00 C:19 15.42 -16.70 O 19.12 -6.11 O 16.65 -6.11 C:114 17.87 -8.28 C:36 16.65 -10.34 C:27 19.12 -14.60 C:25 14.21 -13.18 C:34 17.87 -11.03 C:20 15.42 -12.46 C:31 17.87 -15.31 O 14.21 -16.00 C:171 17.87 -6.84 C:165 16.65 -8.97 C:37 19.12 -13.18 C:63 14.21 -14.60 C:42 16.65 -13.18 C:39 17.87 -12.46 C:38 16.65 -14.60 C:66 15.42 -15.31 21 1 -1 2 18 1 19 3 -1 22 4 -1 23 5 -1 24 6 -1 7 17 2 8 17 1 9 17 1 9 18 2 10 13 1 10 18 1 11 15 1 11 19 1 12 14 1 12 20 1 13 22 1 14 21 1 15 23 1 20 16 -2 16 24 1 19 22 1 20 24 1 21 22 1 21 23 1 23 24 1', 'C20H32O3', 320.22, 'C', 'np06_768_1', 3726, '', '', '1', 1, NULL, NULL),
(14623, '5R,8R-2-Oxokolavenic acid', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][C:2](=O)[CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O', '[H][C@@]12CC(=O)C=C(C)[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=CC(=O)O', '[H][C@@:47]12[CH2:36][C:199](=O)[CH:129]=[C:169]([CH3:21])[C@:40]1([CH3:31])[CH2:30][CH2:27][C@@H:36]([CH3:15])[C@@:39]2([CH3:23])[CH2:37][CH2:35][C:164]([CH3:20])=[CH:115][C:172](=O)O', '24 25 H 17.22 -12.15 C:16 15.99 -8.28 C:18 15.99 -16.71 C:17 20.89 -12.48 C:19 17.22 -16.01 C:20 19.50 -11.52 O 19.68 -6.11 O 13.57 -12.48 O 17.22 -6.11 C:14 18.44 -8.28 C:3 14.78 -14.61 C:12 17.22 -10.34 C:7 19.68 -14.61 C:11 18.44 -11.03 C:6 18.44 -15.32 C:1 15.99 -12.46 C:15 18.44 -6.83 C:13 17.22 -8.97 C:2 14.78 -13.19 C:4 15.99 -15.32 C:8 19.68 -13.19 C:10 17.22 -13.19 C:5 17.22 -14.61 C:9 18.44 -12.48 22 1 -2 2 18 1 3 20 1 21 4 -2 23 5 -2 24 6 -1 7 17 2 8 19 2 9 17 1 10 17 1 10 18 2 11 19 1 11 20 2 12 14 1 12 18 1 13 15 1 13 21 1 14 24 1 15 23 1 16 19 1 16 22 1 20 23 1 21 24 1 22 23 1 22 24 1', '24 25 H 17.22 -12.15 C 15.99 -8.28 C 15.99 -16.71 C 20.89 -12.48 C 17.22 -16.01 C 19.50 -11.52 O 19.68 -6.11 O 13.57 -12.48 O 17.22 -6.11 C 18.44 -8.28 C 14.78 -14.61 C 17.22 -10.34 C 19.68 -14.61 C 18.44 -11.03 C 18.44 -15.32 C 15.99 -12.46 C 18.44 -6.83 C 17.22 -8.97 C 14.78 -13.19 C 15.99 -15.32 C 19.68 -13.19 C 17.22 -13.19 C 17.22 -14.61 C 18.44 -12.48 22 1 -2 2 18 1 3 20 1 21 4 -2 23 5 -2 24 6 -1 7 17 2 8 19 2 9 17 1 10 17 1 10 18 2 11 19 1 11 20 2 12 14 1 12 18 1 13 15 1 13 21 1 14 24 1 15 23 1 16 19 1 16 22 1 20 23 1 21 24 1 22 23 1 22 24 1', '24 25 H 17.22 -12.15 C:20 15.99 -8.28 C:21 15.99 -16.71 C:15 20.89 -12.48 C:31 17.22 -16.01 C:23 19.50 -11.52 O 19.68 -6.11 O 13.57 -12.48 O 17.22 -6.11 C:115 18.44 -8.28 C:129 14.78 -14.61 C:35 17.22 -10.34 C:27 19.68 -14.61 C:37 18.44 -11.03 C:30 18.44 -15.32 C:36 15.99 -12.46 C:172 18.44 -6.83 C:164 17.22 -8.97 C:199 14.78 -13.19 C:169 15.99 -15.32 C:36 19.68 -13.19 C:47 17.22 -13.19 C:40 17.22 -14.61 C:39 18.44 -12.48 22 1 -2 2 18 1 3 20 1 21 4 -2 23 5 -2 24 6 -1 7 17 2 8 19 2 9 17 1 10 17 1 10 18 2 11 19 1 11 20 2 12 14 1 12 18 1 13 15 1 13 21 1 14 24 1 15 23 1 16 19 1 16 22 1 20 23 1 21 24 1 22 23 1 22 24 1', 'C20H30O3', 318.22, 'C', 'np06_768_2', 3726, '', '', '1', 1, NULL, NULL),
(14624, '', '3,4-Dihydroxyclerodan-13E-en-15-oic acid', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]12[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:18])(O)[C@:5]1([CH3:19])[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13]([CH3:16])=[CH:14][C:15](=O)O', '[H][C@@]12CC[C@H](O)[C@@](C)(O)[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=CC(=O)O', '[H][C@@:44]12[CH2:19][CH2:30][C@H:77](O)[C@@:78]([CH3:22])(O)[C@:44]1([CH3:22])[CH2:30][CH2:29][C@@H:38]([CH3:16])[C@@:40]2([CH3:30])[CH2:36][CH2:37][C:163]([CH3:19])=[CH:116][C:171](=O)O', '25 26 H 17.22 -12.26 C:16 15.99 -8.39 C:17 20.88 -12.57 C:18 16.67 -16.64 C:20 19.49 -11.63 C:19 17.22 -16.12 O 19.67 -6.22 O 17.22 -6.22 O 13.57 -15.43 O 15.27 -16.64 C:14 18.43 -8.39 C:12 17.22 -10.45 C:7 19.67 -14.72 C:2 14.78 -13.30 C:1 15.99 -12.57 C:11 18.43 -11.14 C:6 18.43 -15.43 C:15 18.43 -6.94 C:13 17.22 -9.08 C:8 19.67 -13.30 C:3 14.78 -14.72 C:4 15.99 -15.43 C:10 17.22 -13.30 C:9 18.43 -12.57 C:5 17.22 -14.72 23 1 -2 2 19 1 20 3 -2 22 4 -1 24 5 -1 25 6 -2 7 18 2 8 18 1 21 9 -1 22 10 -2 11 18 1 11 19 2 12 16 1 12 19 1 13 17 1 13 20 1 14 15 1 14 21 1 15 23 1 16 24 1 17 25 1 20 24 1 21 22 1 22 25 1 23 24 1 23 25 1', '25 26 H 17.22 -12.26 C 15.99 -8.39 C 20.88 -12.57 C 16.67 -16.64 C 19.49 -11.63 C 17.22 -16.12 O 19.67 -6.22 O 17.22 -6.22 O 13.57 -15.43 O 15.27 -16.64 C 18.43 -8.39 C 17.22 -10.45 C 19.67 -14.72 C 14.78 -13.30 C 15.99 -12.57 C 18.43 -11.14 C 18.43 -15.43 C 18.43 -6.94 C 17.22 -9.08 C 19.67 -13.30 C 14.78 -14.72 C 15.99 -15.43 C 17.22 -13.30 C 18.43 -12.57 C 17.22 -14.72 23 1 -2 2 19 1 20 3 -2 22 4 -1 24 5 -1 25 6 -2 7 18 2 8 18 1 21 9 -1 22 10 -2 11 18 1 11 19 2 12 16 1 12 19 1 13 17 1 13 20 1 14 15 1 14 21 1 15 23 1 16 24 1 17 25 1 20 24 1 21 22 1 22 25 1 23 24 1 23 25 1', '25 26 H 17.22 -12.26 C:19 15.99 -8.39 C:16 20.88 -12.57 C:22 16.67 -16.64 C:30 19.49 -11.63 C:22 17.22 -16.12 O 19.67 -6.22 O 17.22 -6.22 O 13.57 -15.43 O 15.27 -16.64 C:116 18.43 -8.39 C:37 17.22 -10.45 C:29 19.67 -14.72 C:30 14.78 -13.30 C:19 15.99 -12.57 C:36 18.43 -11.14 C:30 18.43 -15.43 C:171 18.43 -6.94 C:163 17.22 -9.08 C:38 19.67 -13.30 C:77 14.78 -14.72 C:78 15.99 -15.43 C:44 17.22 -13.30 C:40 18.43 -12.57 C:44 17.22 -14.72 23 1 -2 2 19 1 20 3 -2 22 4 -1 24 5 -1 25 6 -2 7 18 2 8 18 1 21 9 -1 22 10 -2 11 18 1 11 19 2 12 16 1 12 19 1 13 17 1 13 20 1 14 15 1 14 21 1 15 23 1 16 24 1 17 25 1 20 24 1 21 22 1 22 25 1 23 24 1 23 25 1', 'C20H34O4', 338.22, 'M', 'np06_768_4', 3726, '', '', '1', 1, NULL, NULL),
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(14634, 'Linifolioside', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@:9]14[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH:14]=[C:8]1[C:7](=O)[CH2:6][C@@:5]5([H])[C@@:4]([CH3:18])([CH3:19])[C@@H:3](O[C@@H:101]2O[C@H:105]([CH2:106]O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O[C@@H:201]3O[C@@H:205]([CH3:206])[C@H:204](O)[C@@H:203](O)[C@H:202]3O)[CH2:2][CH2:1][C@:10]45[CH3:20]', '[H][C@]14CC[C@](C)(C=C)C=C1C(=O)C[C@@]5([H])[C@@](C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]45C', '[H][C@:52]14[CH2:20][CH2:35][C@:40]([CH3:26])([CH:148]=[CH2:112])[CH:146]=[C:137]1[C:203](=O)[CH2:38][C@@:51]5([H])[C@@:40]([CH3:28])([CH3:16])[C@@H:89](O[C@@H:106]2O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:80]2O[C@@H:102]3O[C@@H:70]([CH3:18])[C@H:74](O)[C@@H:72](O)[C@H:72]3O)[CH2:27][CH2:38][C@:37]45[CH3:14]', '45 49 H 21.02 -9.56 H 19.75 -11.68 C:16 25.81 -6.58 C:206 8.70 -12.80 C:17 24.11 -5.86 C:18 19.47 -12.56 C:19 17.46 -12.45 C:20 19.75 -7.85 O 23.47 -11.39 O 14.80 -6.46 O 8.70 -15.60 O 11.14 -17.00 O 11.14 -8.55 O 13.56 -15.60 O 11.14 -11.35 C:15 24.78 -7.54 C:14 23.47 -8.55 C:106 13.63 -7.17 C:2 17.24 -9.30 C:12 22.27 -6.40 C:1 18.50 -8.55 C:11 21.02 -7.11 C:6 21.02 -11.50 O 11.14 -12.80 O 14.80 -9.30 O 16.02 -11.39 O 13.56 -12.80 C:7 22.27 -10.76 C:8 22.27 -9.30 C:205 9.92 -13.50 C:204 9.92 -14.90 C:203 11.14 -15.60 C:104 12.35 -9.25 C:202 12.35 -14.90 C:103 12.35 -10.65 C:105 13.63 -8.55 C:3 17.24 -10.76 C:201 12.35 -13.50 C:101 14.80 -10.65 C:102 13.56 -11.39 C:13 23.47 -7.11 C:4 18.50 -11.50 C:9 21.02 -8.55 C:5 19.75 -10.76 C:10 19.75 -9.30 43 1 -2 44 2 -2 3 16 2 30 4 -2 41 5 -1 42 6 -2 42 7 -1 45 8 -1 9 28 2 10 18 1 31 11 -1 32 12 -2 33 13 -2 34 14 -2 35 15 -1 41 16 -2 17 29 2 17 41 1 36 18 -1 19 21 1 19 37 1 20 22 1 20 41 1 21 45 1 22 43 1 23 28 1 23 44 1 24 30 1 24 38 1 25 36 1 25 39 1 37 26 -1 39 26 -1 38 27 -1 40 27 -2 28 29 1 29 43 1 30 31 1 31 32 1 32 34 1 33 35 1 33 36 1 34 38 1 35 40 1 37 42 1 39 40 1 42 44 1 43 45 1 44 45 1', '45 49 H 21.02 -9.56 H 19.75 -11.68 C 25.81 -6.58 C 8.70 -12.80 C 24.11 -5.86 C 19.47 -12.56 C 17.46 -12.45 C 19.75 -7.85 O 23.47 -11.39 O 14.80 -6.46 O 8.70 -15.60 O 11.14 -17.00 O 11.14 -8.55 O 13.56 -15.60 O 11.14 -11.35 C 24.78 -7.54 C 23.47 -8.55 C 13.63 -7.17 C 17.24 -9.30 C 22.27 -6.40 C 18.50 -8.55 C 21.02 -7.11 C 21.02 -11.50 O 11.14 -12.80 O 14.80 -9.30 O 16.02 -11.39 O 13.56 -12.80 C 22.27 -10.76 C 22.27 -9.30 C 9.92 -13.50 C 9.92 -14.90 C 11.14 -15.60 C 12.35 -9.25 C 12.35 -14.90 C 12.35 -10.65 C 13.63 -8.55 C 17.24 -10.76 C 12.35 -13.50 C 14.80 -10.65 C 13.56 -11.39 C 23.47 -7.11 C 18.50 -11.50 C 21.02 -8.55 C 19.75 -10.76 C 19.75 -9.30 43 1 -2 44 2 -2 3 16 2 30 4 -2 41 5 -1 42 6 -2 42 7 -1 45 8 -1 9 28 2 10 18 1 31 11 -1 32 12 -2 33 13 -2 34 14 -2 35 15 -1 41 16 -2 17 29 2 17 41 1 36 18 -1 19 21 1 19 37 1 20 22 1 20 41 1 21 45 1 22 43 1 23 28 1 23 44 1 24 30 1 24 38 1 25 36 1 25 39 1 37 26 -1 39 26 -1 38 27 -1 40 27 -2 28 29 1 29 43 1 30 31 1 31 32 1 32 34 1 33 35 1 33 36 1 34 38 1 35 40 1 37 42 1 39 40 1 42 44 1 43 45 1 44 45 1', '45 49 H 21.02 -9.56 H 19.75 -11.68 C:112 25.81 -6.58 C:18 8.70 -12.80 C:26 24.11 -5.86 C:28 19.47 -12.56 C:16 17.46 -12.45 C:14 19.75 -7.85 O 23.47 -11.39 O 14.80 -6.46 O 8.70 -15.60 O 11.14 -17.00 O 11.14 -8.55 O 13.56 -15.60 O 11.14 -11.35 C:148 24.78 -7.54 C:146 23.47 -8.55 C:63 13.63 -7.17 C:27 17.24 -9.30 C:35 22.27 -6.40 C:38 18.50 -8.55 C:20 21.02 -7.11 C:38 21.02 -11.50 O 11.14 -12.80 O 14.80 -9.30 O 16.02 -11.39 O 13.56 -12.80 C:203 22.27 -10.76 C:137 22.27 -9.30 C:70 9.92 -13.50 C:74 9.92 -14.90 C:72 11.14 -15.60 C:72 12.35 -9.25 C:72 12.35 -14.90 C:79 12.35 -10.65 C:78 13.63 -8.55 C:89 17.24 -10.76 C:102 12.35 -13.50 C:106 14.80 -10.65 C:80 13.56 -11.39 C:40 23.47 -7.11 C:40 18.50 -11.50 C:52 21.02 -8.55 C:51 19.75 -10.76 C:37 19.75 -9.30 43 1 -2 44 2 -2 3 16 2 30 4 -2 41 5 -1 42 6 -2 42 7 -1 45 8 -1 9 28 2 10 18 1 31 11 -1 32 12 -2 33 13 -2 34 14 -2 35 15 -1 41 16 -2 17 29 2 17 41 1 36 18 -1 19 21 1 19 37 1 20 22 1 20 41 1 21 45 1 22 43 1 23 28 1 23 44 1 24 30 1 24 38 1 25 36 1 25 39 1 37 26 -1 39 26 -1 38 27 -1 40 27 -2 28 29 1 29 43 1 30 31 1 31 32 1 32 34 1 33 35 1 33 36 1 34 38 1 35 40 1 37 42 1 39 40 1 42 44 1 43 45 1 44 45 1', 'C32H50O11', 610.352, 'C', 'np06_988_10', 3727, '', '', '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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(14651, '', 'Ent-7α-hydroxy-2-oxo-3-cleroden-15-oic acid', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][C:2](=O)[CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[CH2:6][C@@H:7](O)[C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][C@H:13]([CH3:16])[CH2:14][C:15](=O)O', '[H][C@]12CC(=O)C=C(C)[C@]1(C)C[C@@H](O)[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)O', '[H][C@:46]12[CH2:35][C:201](=O)[CH:125]=[C:173]([CH3:19])[C@:39]1([CH3:20])[CH2:41][C@@H:73](O)[C@@H:39]([CH3:12])[C@:38]2([CH3:20])[CH2:36][CH2:29][C@H:31]([CH3:20])[CH2:41][C:177](=O)O', '25 26 H 17.24 -12.15 C:18 16.01 -16.72 C:16 16.01 -8.29 C:17 20.90 -12.49 C:19 17.24 -16.02 C:20 19.52 -11.52 O 17.24 -6.13 O 13.57 -12.49 O 19.70 -6.13 O 20.90 -15.31 C:3 14.79 -14.60 C:12 17.24 -10.35 C:11 18.46 -11.04 C:14 18.46 -8.29 C:1 16.01 -12.46 C:6 18.46 -15.31 C:15 18.46 -6.86 C:2 14.79 -13.19 C:4 16.01 -15.31 C:13 17.24 -8.98 C:8 19.70 -13.19 C:7 19.70 -14.60 C:10 17.24 -13.19 C:5 17.24 -14.60 C:9 18.46 -12.49 23 1 -1 2 19 1 20 3 -2 21 4 -2 24 5 -2 25 6 -2 7 17 2 8 18 2 9 17 1 22 10 -2 11 18 1 11 19 2 12 13 1 12 20 1 13 25 1 14 17 1 14 20 1 15 18 1 15 23 1 16 22 1 16 24 1 19 24 1 21 22 1 21 25 1 23 24 1 23 25 1', '25 26 H 17.24 -12.15 C 16.01 -16.72 C 16.01 -8.29 C 20.90 -12.49 C 17.24 -16.02 C 19.52 -11.52 O 17.24 -6.13 O 13.57 -12.49 O 19.70 -6.13 O 20.90 -15.31 C 14.79 -14.60 C 17.24 -10.35 C 18.46 -11.04 C 18.46 -8.29 C 16.01 -12.46 C 18.46 -15.31 C 18.46 -6.86 C 14.79 -13.19 C 16.01 -15.31 C 17.24 -8.98 C 19.70 -13.19 C 19.70 -14.60 C 17.24 -13.19 C 17.24 -14.60 C 18.46 -12.49 23 1 -1 2 19 1 20 3 -2 21 4 -2 24 5 -2 25 6 -2 7 17 2 8 18 2 9 17 1 22 10 -2 11 18 1 11 19 2 12 13 1 12 20 1 13 25 1 14 17 1 14 20 1 15 18 1 15 23 1 16 22 1 16 24 1 19 24 1 21 22 1 21 25 1 23 24 1 23 25 1', '25 26 H 17.24 -12.15 C:19 16.01 -16.72 C:20 16.01 -8.29 C:12 20.90 -12.49 C:20 17.24 -16.02 C:20 19.52 -11.52 O 17.24 -6.13 O 13.57 -12.49 O 19.70 -6.13 O 20.90 -15.31 C:125 14.79 -14.60 C:29 17.24 -10.35 C:36 18.46 -11.04 C:41 18.46 -8.29 C:35 16.01 -12.46 C:41 18.46 -15.31 C:177 18.46 -6.86 C:201 14.79 -13.19 C:173 16.01 -15.31 C:31 17.24 -8.98 C:39 19.70 -13.19 C:73 19.70 -14.60 C:46 17.24 -13.19 C:39 17.24 -14.60 C:38 18.46 -12.49 23 1 -1 2 19 1 20 3 -2 21 4 -2 24 5 -2 25 6 -2 7 17 2 8 18 2 9 17 1 22 10 -2 11 18 1 11 19 2 12 13 1 12 20 1 13 25 1 14 17 1 14 20 1 15 18 1 15 23 1 16 22 1 16 24 1 19 24 1 21 22 1 21 25 1 23 24 1 23 25 1', 'C20H32O4', 336.22, 'C', 'ph67_444_2', 3730, 'Error in the name of compound (7b) in the publication', '', '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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(14665, 'Kongensin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@:8]14[C:15](=O)[C:16](=[CH2:17])[C@@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@H:14]4O[C:14001]([CH3:14002])=O', '[H][C@]23C[C@@H](OC(C)=O)[C@]14C(=O)C(=C)[C@@H](CC[C@@]1([H])[C@]2(C)[C@H](OC(C)=O)CC[C@]3(C)C)[C@H]4OC(C)=O', '[H][C@:48]23[CH2:25][C@@H:75](O[C:170]([CH3:22])=O)[C@:62]14[C:205](=O)[C:147](=[CH2:119])[C@@H:45]([CH2:33][CH2:17][C@@:49]1([H])[C@:44]2([CH3:20])[C@H:74](O[C:171]([CH3:22])=O)[CH2:24][CH2:36][C@:34]3([CH3:22])[CH3:34])[C@H:76]4O[C:172]([CH3:22])=O', '35 38 H 15.18 -13.76 H 16.38 -11.67 C:17 21.27 -10.03 C:1002 12.74 -7.20 C:7002 19.95 -15.61 C:14002 22.96 -10.98 C:19 12.93 -14.42 C:18 14.89 -14.51 C:20 15.18 -10.03 O 11.53 -9.31 O 17.52 -15.51 O 22.11 -13.26 O 19.65 -13.09 C:2 12.74 -11.39 C:12 17.58 -8.60 C:3 12.74 -12.77 C:11 16.38 -9.31 C:6 16.38 -13.48 O 13.93 -9.31 O 18.76 -13.48 O 20.57 -11.39 C:1001 12.74 -8.60 C:7001 18.76 -14.85 C:14001 21.88 -11.88 C:16 19.95 -10.33 C:15 19.12 -11.79 C:1 13.93 -10.72 C:7 17.58 -12.77 C:13 18.76 -9.31 C:14 18.76 -10.72 C:4 13.93 -13.48 C:5 15.18 -12.77 C:9 16.38 -10.72 C:10 15.18 -11.39 C:8 17.58 -11.39 32 1 -1 33 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 31 7 -2 31 8 -1 34 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 14 16 1 14 27 1 15 17 1 15 29 1 16 31 1 17 33 1 18 28 1 18 32 1 19 22 1 27 19 -1 20 23 1 28 20 -2 21 24 1 30 21 -1 25 26 1 25 29 1 26 35 1 27 34 1 28 35 1 29 30 -2 35 30 -2 31 32 1 32 34 1 33 34 1 33 35 1', '35 38 H 15.18 -13.76 H 16.38 -11.67 C 21.27 -10.03 C 12.74 -7.20 C 19.95 -15.61 C 22.96 -10.98 C 12.93 -14.42 C 14.89 -14.51 C 15.18 -10.03 O 11.53 -9.31 O 17.52 -15.51 O 22.11 -13.26 O 19.65 -13.09 C 12.74 -11.39 C 17.58 -8.60 C 12.74 -12.77 C 16.38 -9.31 C 16.38 -13.48 O 13.93 -9.31 O 18.76 -13.48 O 20.57 -11.39 C 12.74 -8.60 C 18.76 -14.85 C 21.88 -11.88 C 19.95 -10.33 C 19.12 -11.79 C 13.93 -10.72 C 17.58 -12.77 C 18.76 -9.31 C 18.76 -10.72 C 13.93 -13.48 C 15.18 -12.77 C 16.38 -10.72 C 15.18 -11.39 C 17.58 -11.39 32 1 -1 33 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 31 7 -2 31 8 -1 34 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 14 16 1 14 27 1 15 17 1 15 29 1 16 31 1 17 33 1 18 28 1 18 32 1 19 22 1 27 19 -1 20 23 1 28 20 -2 21 24 1 30 21 -1 25 26 1 25 29 1 26 35 1 27 34 1 28 35 1 29 30 -2 35 30 -2 31 32 1 32 34 1 33 34 1 33 35 1', '35 38 H 15.18 -13.76 H 16.38 -11.67 C:119 21.27 -10.03 C:22 12.74 -7.20 C:22 19.95 -15.61 C:22 22.96 -10.98 C:22 12.93 -14.42 C:34 14.89 -14.51 C:20 15.18 -10.03 O 11.53 -9.31 O 17.52 -15.51 O 22.11 -13.26 O 19.65 -13.09 C:24 12.74 -11.39 C:33 17.58 -8.60 C:36 12.74 -12.77 C:17 16.38 -9.31 C:25 16.38 -13.48 O 13.93 -9.31 O 18.76 -13.48 O 20.57 -11.39 C:171 12.74 -8.60 C:170 18.76 -14.85 C:172 21.88 -11.88 C:147 19.95 -10.33 C:205 19.12 -11.79 C:74 13.93 -10.72 C:75 17.58 -12.77 C:45 18.76 -9.31 C:76 18.76 -10.72 C:34 13.93 -13.48 C:48 15.18 -12.77 C:49 16.38 -10.72 C:44 15.18 -11.39 C:62 17.58 -11.39 32 1 -1 33 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 31 7 -2 31 8 -1 34 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 14 16 1 14 27 1 15 17 1 15 29 1 16 31 1 17 33 1 18 28 1 18 32 1 19 22 1 27 19 -1 20 23 1 28 20 -2 21 24 1 30 21 -1 25 26 1 25 29 1 26 35 1 27 34 1 28 35 1 29 30 -2 35 30 -2 31 32 1 32 34 1 33 34 1 33 35 1', 'C26H36O7', 460.29, 'C', 'hca07_1554_2', 3736, '', '', '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
(14667, 'Isojaponins A', '', 'Terpenoids', 'Diterpenoids', 'Enmeins', '[H][C@:13]15[CH2:12][C@H:11](O)[C@:9]4([H])[C@:8]([CH2:14]1)([C:7](=O)O[C@@:1]2([H])[CH2:2][CH2:3][C@@:4]([CH3:18])([CH3:19])[C@@:5]3([H])[C@H:6](O[CH3:6001])O[CH2:20][C@@:10]234)[C@H:15](O)[C:16]5=[CH2:17]', '[H][C@]15C[C@H](O)[C@]4([H])[C@](C1)(C(=O)O[C@@]2([H])CC[C@@](C)(C)[C@@]3([H])[C@H](OC)OC[C@@]234)[C@H](O)C5=C', '[H][C@:37]15[CH2:46][C@H:64](O)[C@:47]4([H])[C@:54]([CH2:35]1)([C:175](=O)O[C@@:78]2([H])[CH2:24][CH2:37][C@@:32]([CH3:33])([CH3:23])[C@@:53]3([H])[C@H:109](O[CH3:54])O[CH2:74][C@@:51]234)[C@H:76](O)[C:159]5=[CH2:109]', '31 35 H 20.60 -8.63 H 14.23 -10.19 H 16.16 -13.77 H 18.25 -9.94 C:17 20.72 -6.99 C:6001 17.33 -15.87 C:18 14.23 -14.73 C:19 15.68 -14.73 O 16.16 -7.14 O 18.59 -12.75 O 17.03 -6.92 C:3 13.73 -12.75 C:2 13.73 -11.34 C:20 16.16 -9.94 C:12 19.82 -10.64 C:14 18.59 -8.53 O 18.05 -14.67 O 17.38 -11.93 O 14.96 -9.25 C:16 19.61 -7.85 C:7 16.16 -8.53 C:11 18.59 -11.34 C:15 17.60 -7.85 C:6 17.38 -13.45 C:13 19.82 -9.25 C:4 14.96 -13.45 C:1 14.96 -10.64 C:5 16.16 -12.75 C:9 17.38 -10.64 C:8 17.38 -9.25 C:10 16.16 -11.34 25 1 -2 27 2 -1 28 3 -1 29 4 -2 5 20 2 6 17 1 26 7 -1 26 8 -2 9 21 2 22 10 -2 23 11 -2 12 13 1 12 26 1 13 27 1 14 18 1 31 14 -2 15 22 1 15 25 1 16 25 1 30 16 -1 24 17 -1 18 24 1 19 21 1 19 27 1 20 23 1 20 25 1 21 30 1 22 29 1 23 30 1 24 28 1 26 28 1 27 31 1 28 31 1 29 30 1 29 31 1', '31 35 H 20.60 -8.63 H 14.23 -10.19 H 16.16 -13.77 H 18.25 -9.94 C 20.72 -6.99 C 17.33 -15.87 C 14.23 -14.73 C 15.68 -14.73 O 16.16 -7.14 O 18.59 -12.75 O 17.03 -6.92 C 13.73 -12.75 C 13.73 -11.34 C 16.16 -9.94 C 19.82 -10.64 C 18.59 -8.53 O 18.05 -14.67 O 17.38 -11.93 O 14.96 -9.25 C 19.61 -7.85 C 16.16 -8.53 C 18.59 -11.34 C 17.60 -7.85 C 17.38 -13.45 C 19.82 -9.25 C 14.96 -13.45 C 14.96 -10.64 C 16.16 -12.75 C 17.38 -10.64 C 17.38 -9.25 C 16.16 -11.34 25 1 -2 27 2 -1 28 3 -1 29 4 -2 5 20 2 6 17 1 26 7 -1 26 8 -2 9 21 2 22 10 -2 23 11 -2 12 13 1 12 26 1 13 27 1 14 18 1 31 14 -2 15 22 1 15 25 1 16 25 1 30 16 -1 24 17 -1 18 24 1 19 21 1 19 27 1 20 23 1 20 25 1 21 30 1 22 29 1 23 30 1 24 28 1 26 28 1 27 31 1 28 31 1 29 30 1 29 31 1', '31 35 H 20.60 -8.63 H 14.23 -10.19 H 16.16 -13.77 H 18.25 -9.94 C:109 20.72 -6.99 C:54 17.33 -15.87 C:33 14.23 -14.73 C:23 15.68 -14.73 O 16.16 -7.14 O 18.59 -12.75 O 17.03 -6.92 C:37 13.73 -12.75 C:24 13.73 -11.34 C:74 16.16 -9.94 C:46 19.82 -10.64 C:35 18.59 -8.53 O 18.05 -14.67 O 17.38 -11.93 O 14.96 -9.25 C:159 19.61 -7.85 C:175 16.16 -8.53 C:64 18.59 -11.34 C:76 17.60 -7.85 C:109 17.38 -13.45 C:37 19.82 -9.25 C:32 14.96 -13.45 C:78 14.96 -10.64 C:53 16.16 -12.75 C:47 17.38 -10.64 C:54 17.38 -9.25 C:51 16.16 -11.34 25 1 -2 27 2 -1 28 3 -1 29 4 -2 5 20 2 6 17 1 26 7 -1 26 8 -2 9 21 2 22 10 -2 23 11 -2 12 13 1 12 26 1 13 27 1 14 18 1 31 14 -2 15 22 1 15 25 1 16 25 1 30 16 -1 24 17 -1 18 24 1 19 21 1 19 27 1 20 23 1 20 25 1 21 30 1 22 29 1 23 30 1 24 28 1 26 28 1 27 31 1 28 31 1 29 30 1 29 31 1', 'C21H30O6', 378.253, 'P', 'hca07_2375_1', 3738, '', '', '1', 1, NULL, NULL),
(14668, 'Isojaponins B', '', 'Terpenoids', 'Diterpenoids', 'Trichorabales', '[H][C@@:9]12[C@@H:11](O)[CH2:12][C@H:13]4[CH2:14][C@@:8]1([C:7](=O)O[CH2:20][C@:10]23[C@@H:1](O[C:1001]([CH3:1002])=O)[CH2:2][CH2:3][C@:4]([CH3:19])([CH3:18])[C@H:5]3[CH2:6]O)[C@H:15](O)[C:16]4=[CH2:17]', '[H][C@@]12[C@@H](O)C[C@H]4C[C@@]1(C(=O)OC[C@]23[C@@H](OC(C)=O)CC[C@](C)(C)[C@H]3CO)[C@H](O)C4=C', '[H][C@@:41]12[C@@H:66](O)[CH2:46][C@H:36]4[CH2:31][C@@:53]1([C:176](=O)O[CH2:68][C@:44]23[C@@H:77](O[C:171]([CH3:22])=O)[CH2:25][CH2:40][C@:34]([CH3:22])([CH3:34])[C@H:54]3[CH2:59]O)[C@H:84](O)[C:160]4=[CH2:109]', '30 33 H 17.31 -12.72 C:17 22.19 -11.08 C:1002 14.92 -7.53 C:19 12.98 -13.71 C:18 12.25 -12.50 O 13.72 -9.64 O 19.73 -14.49 O 13.72 -15.28 O 17.31 -8.93 O 20.60 -14.02 C:6 14.92 -14.56 C:2 14.92 -10.36 C:3 13.72 -11.08 C:20 16.10 -13.82 C:12 18.50 -9.64 C:14 19.73 -11.74 O 17.31 -14.56 O 16.10 -9.64 C:1001 14.92 -8.93 C:16 20.83 -11.34 C:7 18.50 -13.82 C:13 19.73 -10.36 C:11 17.31 -10.36 C:15 20.04 -12.72 C:1 16.10 -11.08 C:5 14.92 -13.16 C:4 13.72 -12.50 C:9 17.31 -11.74 C:8 18.50 -12.44 C:10 16.10 -12.44 28 1 -1 2 20 2 3 19 1 27 4 -2 27 5 -1 6 19 2 7 21 2 8 11 1 23 9 -1 24 10 -1 26 11 -2 12 13 1 12 25 1 13 27 1 14 17 1 30 14 -2 15 22 1 15 23 1 22 16 -2 29 16 -2 17 21 1 18 19 1 25 18 -2 20 22 1 20 24 1 21 29 1 23 28 1 24 29 1 25 30 1 26 27 1 26 30 1 28 29 1 28 30 1', '30 33 H 17.31 -12.72 C 22.19 -11.08 C 14.92 -7.53 C 12.98 -13.71 C 12.25 -12.50 O 13.72 -9.64 O 19.73 -14.49 O 13.72 -15.28 O 17.31 -8.93 O 20.60 -14.02 C 14.92 -14.56 C 14.92 -10.36 C 13.72 -11.08 C 16.10 -13.82 C 18.50 -9.64 C 19.73 -11.74 O 17.31 -14.56 O 16.10 -9.64 C 14.92 -8.93 C 20.83 -11.34 C 18.50 -13.82 C 19.73 -10.36 C 17.31 -10.36 C 20.04 -12.72 C 16.10 -11.08 C 14.92 -13.16 C 13.72 -12.50 C 17.31 -11.74 C 18.50 -12.44 C 16.10 -12.44 28 1 -1 2 20 2 3 19 1 27 4 -2 27 5 -1 6 19 2 7 21 2 8 11 1 23 9 -1 24 10 -1 26 11 -2 12 13 1 12 25 1 13 27 1 14 17 1 30 14 -2 15 22 1 15 23 1 22 16 -2 29 16 -2 17 21 1 18 19 1 25 18 -2 20 22 1 20 24 1 21 29 1 23 28 1 24 29 1 25 30 1 26 27 1 26 30 1 28 29 1 28 30 1', '30 33 H 17.31 -12.72 C:109 22.19 -11.08 C:22 14.92 -7.53 C:22 12.98 -13.71 C:34 12.25 -12.50 O 13.72 -9.64 O 19.73 -14.49 O 13.72 -15.28 O 17.31 -8.93 O 20.60 -14.02 C:59 14.92 -14.56 C:25 14.92 -10.36 C:40 13.72 -11.08 C:68 16.10 -13.82 C:46 18.50 -9.64 C:31 19.73 -11.74 O 17.31 -14.56 O 16.10 -9.64 C:171 14.92 -8.93 C:160 20.83 -11.34 C:176 18.50 -13.82 C:36 19.73 -10.36 C:66 17.31 -10.36 C:84 20.04 -12.72 C:77 16.10 -11.08 C:54 14.92 -13.16 C:34 13.72 -12.50 C:41 17.31 -11.74 C:53 18.50 -12.44 C:44 16.10 -12.44 28 1 -1 2 20 2 3 19 1 27 4 -2 27 5 -1 6 19 2 7 21 2 8 11 1 23 9 -1 24 10 -1 26 11 -2 12 13 1 12 25 1 13 27 1 14 17 1 30 14 -2 15 22 1 15 23 1 22 16 -2 29 16 -2 17 21 1 18 19 1 25 18 -2 20 22 1 20 24 1 21 29 1 23 28 1 24 29 1 25 30 1 26 27 1 26 30 1 28 29 1 28 30 1', 'C22H32O7', 408.239, 'P', 'hca07_2375_2', 3738, '', '', '1', 1, NULL, NULL),
(14669, 'Guan fu diterpenoid A', 'Ent-kaurane-16,20-diol', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH2:20]O)[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:19])[CH3:18])[C@:16]([CH3:17])(O)[CH2:15]4', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(CO)CCC[C@]3(C)C)[C@](C)(O)C4', '[H][C@:57]23[CH2:20][CH2:39][C@@:45]14[CH2:43][C@H:49]([CH2:26][CH2:19][C@@:57]1([H])[C@:43]2([CH2:62]O)[CH2:35][CH2:18][CH2:42][C@:33]3([CH3:23])[CH3:34])[C@:79]([CH3:24])(O)[CH2:59]4', '24 27 H 15.49 -13.68 H 16.71 -11.56 C:19 13.24 -14.35 C:18 15.21 -14.44 C:17 21.07 -8.98 O 14.24 -9.18 O 21.47 -10.92 C:2 13.04 -11.28 C:20 15.49 -9.86 C:12 17.93 -8.43 C:3 13.04 -12.68 C:1 14.24 -10.56 C:11 16.71 -9.18 C:6 16.71 -13.40 C:7 17.93 -12.68 C:14 19.15 -10.56 C:15 19.51 -11.56 C:13 19.15 -9.18 C:4 14.24 -13.40 C:16 20.32 -10.14 C:5 15.49 -12.68 C:9 16.71 -10.56 C:8 17.93 -11.28 C:10 15.49 -11.28 21 1 -1 22 2 -1 19 3 -2 19 4 -1 20 5 -1 6 9 1 20 7 -2 8 11 1 8 12 1 24 9 -2 10 13 1 10 18 1 11 19 1 12 24 1 13 22 1 14 15 1 14 21 1 15 23 1 18 16 -2 23 16 -2 17 20 1 17 23 1 18 20 1 19 21 1 21 24 1 22 23 1 22 24 1', '24 27 H 15.49 -13.68 H 16.71 -11.56 C 13.24 -14.35 C 15.21 -14.44 C 21.07 -8.98 O 14.24 -9.18 O 21.47 -10.92 C 13.04 -11.28 C 15.49 -9.86 C 17.93 -8.43 C 13.04 -12.68 C 14.24 -10.56 C 16.71 -9.18 C 16.71 -13.40 C 17.93 -12.68 C 19.15 -10.56 C 19.51 -11.56 C 19.15 -9.18 C 14.24 -13.40 C 20.32 -10.14 C 15.49 -12.68 C 16.71 -10.56 C 17.93 -11.28 C 15.49 -11.28 21 1 -1 22 2 -1 19 3 -2 19 4 -1 20 5 -1 6 9 1 20 7 -2 8 11 1 8 12 1 24 9 -2 10 13 1 10 18 1 11 19 1 12 24 1 13 22 1 14 15 1 14 21 1 15 23 1 18 16 -2 23 16 -2 17 20 1 17 23 1 18 20 1 19 21 1 21 24 1 22 23 1 22 24 1', '24 27 H 15.49 -13.68 H 16.71 -11.56 C:23 13.24 -14.35 C:34 15.21 -14.44 C:24 21.07 -8.98 O 14.24 -9.18 O 21.47 -10.92 C:18 13.04 -11.28 C:62 15.49 -9.86 C:26 17.93 -8.43 C:42 13.04 -12.68 C:35 14.24 -10.56 C:19 16.71 -9.18 C:20 16.71 -13.40 C:39 17.93 -12.68 C:43 19.15 -10.56 C:59 19.51 -11.56 C:49 19.15 -9.18 C:33 14.24 -13.40 C:79 20.32 -10.14 C:57 15.49 -12.68 C:57 16.71 -10.56 C:45 17.93 -11.28 C:43 15.49 -11.28 21 1 -1 22 2 -1 19 3 -2 19 4 -1 20 5 -1 6 9 1 20 7 -2 8 11 1 8 12 1 24 9 -2 10 13 1 10 18 1 11 19 1 12 24 1 13 22 1 14 15 1 14 21 1 15 23 1 18 16 -2 23 16 -2 17 20 1 17 23 1 18 20 1 19 21 1 21 24 1 22 23 1 22 24 1', 'C20H34O2', 306.229, 'C', 'hca08_759_1', 3739, '', '', '1', 1, NULL, NULL),
(14670, 'Guan fu base S', '(11b,13S)-2,3,15,16-Tetradehydro-16,17-dihydrohetisan-11,13,14-triol 11,13-diacetate', 'Alkaloids', 'Diterpenoids', 'Hetisanes', '[H][C@:5]23[C@H:6]4[CH2:7][C@:8]16[CH:15]=[C:16]([CH3:17])[C@H:12]7[C@H:11](O[C:11001]([CH3:11002])=O)[C@@:9]1([H])[C@:10]25[CH2:1][CH:2]=[CH:3][C@@:4]3([CH3:18])[CH2:19]N4[CH:20]5[C:14]6(O)[CH:13]7O[C:13001]([CH3:13002])=O', '[H][C@]23[C@H]4C[C@]16C=C(C)[C@H]7[C@H](OC(C)=O)[C@@]1([H])[C@]25CC=C[C@@]3(C)CN4C5C6(O)C7OC(C)=O', '[H][C@:57]23[C@H:73]4[CH2:30][C@:49]16[CH:126]=[C:140]([CH3:19])[C@H:46]7[C@H:77](O[C:171]([CH3:21])=O)[C@@:46]1([H])[C@:47]25[CH2:28][CH:122]=[CH:135][C@@:39]3([CH3:26])[CH2:69]N4[CH:65]5[C:80]6(O)[CH:80]7O[C:170]([CH3:21])=O', '32 38 H 15.20 -14.54 H 16.32 -12.73 C:11002 13.85 -7.65 C:13002 21.55 -12.66 C:17 19.67 -9.74 C:18 14.95 -15.24 O 16.32 -7.65 O 19.29 -13.53 O 16.48 -9.53 C:2 12.98 -12.36 C:3 12.98 -13.64 C:15 18.55 -11.70 C:1 14.08 -11.70 C:7 17.44 -13.64 C:19 13.18 -15.15 O 15.09 -9.74 O 19.67 -11.14 C:11001 15.09 -8.34 C:13001 20.17 -12.44 C:16 18.55 -10.42 C:12 17.44 -9.74 C:6 16.32 -14.28 C:11 16.32 -10.42 C:13 18.00 -10.87 C:20 15.20 -11.21 N 14.36 -12.66 C:4 14.08 -14.28 C:5 15.20 -13.64 C:9 16.32 -11.70 C:14 16.99 -11.21 C:8 17.44 -12.36 C:10 15.20 -12.36 28 1 -1 29 2 -1 3 18 1 4 19 1 5 20 1 27 6 -1 7 18 2 8 19 2 9 30 1 10 11 2 10 13 1 11 27 1 12 20 2 12 31 1 13 32 1 14 22 1 14 31 1 15 26 1 27 15 -2 16 18 1 23 16 -1 17 19 1 17 24 1 20 21 1 21 23 1 21 24 -2 22 26 -2 22 28 1 23 29 1 24 30 1 25 26 1 25 30 1 32 25 -2 27 28 1 28 32 1 29 31 1 29 32 1 31 30 -2', '32 38 H 15.20 -14.54 H 16.32 -12.73 C 13.85 -7.65 C 21.55 -12.66 C 19.67 -9.74 C 14.95 -15.24 O 16.32 -7.65 O 19.29 -13.53 O 16.48 -9.53 C 12.98 -12.36 C 12.98 -13.64 C 18.55 -11.70 C 14.08 -11.70 C 17.44 -13.64 C 13.18 -15.15 O 15.09 -9.74 O 19.67 -11.14 C 15.09 -8.34 C 20.17 -12.44 C 18.55 -10.42 C 17.44 -9.74 C 16.32 -14.28 C 16.32 -10.42 C 18.00 -10.87 C 15.20 -11.21 N 14.36 -12.66 C 14.08 -14.28 C 15.20 -13.64 C 16.32 -11.70 C 16.99 -11.21 C 17.44 -12.36 C 15.20 -12.36 28 1 -1 29 2 -1 3 18 1 4 19 1 5 20 1 27 6 -1 7 18 2 8 19 2 9 30 1 10 11 2 10 13 1 11 27 1 12 20 2 12 31 1 13 32 1 14 22 1 14 31 1 15 26 1 27 15 -2 16 18 1 23 16 -1 17 19 1 17 24 1 20 21 1 21 23 1 21 24 -2 22 26 -2 22 28 1 23 29 1 24 30 1 25 26 1 25 30 1 32 25 -2 27 28 1 28 32 1 29 31 1 29 32 1 31 30 -2', '32 38 H 15.20 -14.54 H 16.32 -12.73 C:21 13.85 -7.65 C:21 21.55 -12.66 C:19 19.67 -9.74 C:26 14.95 -15.24 O 16.32 -7.65 O 19.29 -13.53 O 16.48 -9.53 C:122 12.98 -12.36 C:135 12.98 -13.64 C:126 18.55 -11.70 C:28 14.08 -11.70 C:30 17.44 -13.64 C:69 13.18 -15.15 O 15.09 -9.74 O 19.67 -11.14 C:171 15.09 -8.34 C:170 20.17 -12.44 C:140 18.55 -10.42 C:46 17.44 -9.74 C:73 16.32 -14.28 C:77 16.32 -10.42 C:80 18.00 -10.87 C:65 15.20 -11.21 N 14.36 -12.66 C:39 14.08 -14.28 C:57 15.20 -13.64 C:46 16.32 -11.70 C:80 16.99 -11.21 C:49 17.44 -12.36 C:47 15.20 -12.36 28 1 -1 29 2 -1 3 18 1 4 19 1 5 20 1 27 6 -1 7 18 2 8 19 2 9 30 1 10 11 2 10 13 1 11 27 1 12 20 2 12 31 1 13 32 1 14 22 1 14 31 1 15 26 1 27 15 -2 16 18 1 23 16 -1 17 19 1 17 24 1 20 21 1 21 23 1 21 24 -2 22 26 -2 22 28 1 23 29 1 24 30 1 25 26 1 25 30 1 32 25 -2 27 28 1 28 32 1 29 31 1 29 32 1 31 30 -2', 'C24H29NO5', 411.276, 'C', 'hca08_759_2', 3739, '', '', '1', 1, NULL, NULL),
(14671, 'Latilagascene D', '[(2R*, 3S*, 4R*, 5R*, 6R*,9S*,11S*,15R*)-16-benzoyloxi-15β-cinnamoyloxy-5α,6βepoxy-3b-hydroxy-14-oxolathyr-12E-ene]', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]56[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]3(O[C:101](=O)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH2:1][C@H:2]([CH2:16]O[C:201](=O)[c:202]2[cH:207][cH:206][cH:205][cH:204][cH:203]2)[C@H:3](O)[C@:4]3([H])[C@H:5]4O[C@:6]4([CH3:17])[CH2:7][CH2:8][C@:9]5([H])[C@:10]6([CH3:18])[CH3:19]', '[H][C@@]56C=C(C)C(=O)[C@@]3(OC(=O)C=Cc1ccccc1)C[C@H](COC(=O)c2ccccc2)[C@H](O)[C@]3([H])[C@H]4O[C@]4(C)CC[C@]5([H])[C@]6(C)C', '[H][C@@:30]56[CH:145]=[C:134]([CH3:12])[C:195](=O)[C@@:91]3(O[C:166](=O)[CH:117]=[CH:147][c:134]1[cH:128][cH:131][cH:129][cH:131][cH:128]1)[CH2:40][C@H:45]([CH2:63]O[C:168](=O)[c:130]2[cH:130][cH:128][cH:133][cH:128][cH:130]2)[C@H:75](O)[C@:52]3([H])[C@H:58]4O[C@:64]4([CH3:20])[CH2:39][CH2:23][C@:34]5([H])[C@:27]6([CH3:29])[CH3:16]', '46 51 H 22.40 -9.90 H 25.04 -11.10 H 19.24 -14.46 C:20 20.60 -9.13 C:18 23.65 -8.69 C:19 25.37 -9.69 C:17 21.13 -12.00 O 15.41 -12.59 O 12.71 -15.71 O 17.96 -9.79 O 17.74 -16.00 C:102 15.11 -10.19 C:103 13.71 -10.38 C:12 21.48 -11.33 C:107 11.18 -7.10 C:205 9.16 -11.93 C:106 10.66 -8.39 C:108 12.54 -6.90 C:206 10.31 -11.21 C:204 9.16 -13.32 C:105 11.57 -9.50 C:109 13.39 -8.02 C:207 11.57 -11.93 C:203 10.31 -14.11 C:16 15.11 -14.52 C:7 22.75 -13.71 C:8 24.06 -12.98 C:1 16.66 -12.44 O 13.97 -13.71 O 17.34 -11.10 O 21.48 -14.60 C:13 20.25 -10.57 C:101 15.94 -11.33 C:201 12.71 -14.31 C:14 18.83 -10.88 C:104 12.87 -9.31 C:202 11.57 -13.52 C:3 17.74 -14.60 C:2 16.40 -13.90 C:5 20.25 -13.90 C:10 24.06 -10.06 C:6 21.48 -13.19 C:11 22.75 -10.75 C:9 24.06 -11.50 C:4 18.83 -13.52 C:15 18.19 -12.24 43 1 -2 44 2 -2 45 3 -2 4 32 1 41 5 -2 41 6 -1 42 7 -2 8 33 2 9 34 2 10 35 2 38 11 -1 12 13 2 12 33 1 13 36 1 14 32 2 14 43 1 15 17 1 15 18 2 16 19 1 16 20 2 17 21 2 18 22 1 19 23 2 20 24 1 21 36 1 22 36 2 23 37 1 24 37 2 25 29 1 39 25 -1 26 27 1 26 42 1 27 44 1 28 39 1 28 46 1 29 34 1 30 33 1 46 30 -1 40 31 -2 31 42 1 32 35 1 34 37 1 35 46 1 38 39 1 38 45 1 40 42 1 40 45 1 41 43 1 41 44 1 43 44 1 45 46 1', '46 51 H 22.40 -9.90 H 25.04 -11.10 H 19.24 -14.46 C 20.60 -9.13 C 23.65 -8.69 C 25.37 -9.69 C 21.13 -12.00 O 15.41 -12.59 O 12.71 -15.71 O 17.96 -9.79 O 17.74 -16.00 C 15.11 -10.19 C 13.71 -10.38 C 21.48 -11.33 C 11.18 -7.10 C 9.16 -11.93 C 10.66 -8.39 C 12.54 -6.90 C 10.31 -11.21 C 9.16 -13.32 C 11.57 -9.50 C 13.39 -8.02 C 11.57 -11.93 C 10.31 -14.11 C 15.11 -14.52 C 22.75 -13.71 C 24.06 -12.98 C 16.66 -12.44 O 13.97 -13.71 O 17.34 -11.10 O 21.48 -14.60 C 20.25 -10.57 C 15.94 -11.33 C 12.71 -14.31 C 18.83 -10.88 C 12.87 -9.31 C 11.57 -13.52 C 17.74 -14.60 C 16.40 -13.90 C 20.25 -13.90 C 24.06 -10.06 C 21.48 -13.19 C 22.75 -10.75 C 24.06 -11.50 C 18.83 -13.52 C 18.19 -12.24 43 1 -2 44 2 -2 45 3 -2 4 32 1 41 5 -2 41 6 -1 42 7 -2 8 33 2 9 34 2 10 35 2 38 11 -1 12 13 2 12 33 1 13 36 1 14 32 2 14 43 1 15 17 1 15 18 2 16 19 1 16 20 2 17 21 2 18 22 1 19 23 2 20 24 1 21 36 1 22 36 2 23 37 1 24 37 2 25 29 1 39 25 -1 26 27 1 26 42 1 27 44 1 28 39 1 28 46 1 29 34 1 30 33 1 46 30 -1 40 31 -2 31 42 1 32 35 1 34 37 1 35 46 1 38 39 1 38 45 1 40 42 1 40 45 1 41 43 1 41 44 1 43 44 1 45 46 1', '46 51 H 22.40 -9.90 H 25.04 -11.10 H 19.24 -14.46 C:12 20.60 -9.13 C:29 23.65 -8.69 C:16 25.37 -9.69 C:20 21.13 -12.00 O 15.41 -12.59 O 12.71 -15.71 O 17.96 -9.79 O 17.74 -16.00 C:117 15.11 -10.19 C:147 13.71 -10.38 C:145 21.48 -11.33 C:129 11.18 -7.10 C:133 9.16 -11.93 C:131 10.66 -8.39 C:131 12.54 -6.90 C:128 10.31 -11.21 C:128 9.16 -13.32 C:128 11.57 -9.50 C:128 13.39 -8.02 C:130 11.57 -11.93 C:130 10.31 -14.11 C:63 15.11 -14.52 C:39 22.75 -13.71 C:23 24.06 -12.98 C:40 16.66 -12.44 O 13.97 -13.71 O 17.34 -11.10 O 21.48 -14.60 C:134 20.25 -10.57 C:166 15.94 -11.33 C:168 12.71 -14.31 C:195 18.83 -10.88 C:134 12.87 -9.31 C:130 11.57 -13.52 C:75 17.74 -14.60 C:45 16.40 -13.90 C:58 20.25 -13.90 C:27 24.06 -10.06 C:64 21.48 -13.19 C:30 22.75 -10.75 C:34 24.06 -11.50 C:52 18.83 -13.52 C:91 18.19 -12.24 43 1 -2 44 2 -2 45 3 -2 4 32 1 41 5 -2 41 6 -1 42 7 -2 8 33 2 9 34 2 10 35 2 38 11 -1 12 13 2 12 33 1 13 36 1 14 32 2 14 43 1 15 17 1 15 18 2 16 19 1 16 20 2 17 21 2 18 22 1 19 23 2 20 24 1 21 36 1 22 36 2 23 37 1 24 37 2 25 29 1 39 25 -1 26 27 1 26 42 1 27 44 1 28 39 1 28 46 1 29 34 1 30 33 1 46 30 -1 40 31 -2 31 42 1 32 35 1 34 37 1 35 46 1 38 39 1 38 45 1 40 42 1 40 45 1 41 43 1 41 44 1 43 44 1 45 46 1', 'C36H40O7', 584.405, 'C', 'bmc07_546_1', 3740, '', '', '1', 47, NULL, NULL),
(14672, 'Latilagascene E', '[(2R*, 3S*, 4R*, 5R*, 6R*,9S*,11S*,15R*)-16-benzoyloxi-15β-cinnamoyloxy-5α,6β-epoxy-3b,20-dihydroxy-14-oxolathyr-12E-ene]', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]56[CH:12]=[C:13]([CH2:20]O)[C:14](=O)[C@@:15]3(O[C:101](=O)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH2:1][C@H:2]([CH2:16]O[C:201](=O)[c:202]2[cH:207][cH:206][cH:205][cH:204][cH:203]2)[C@H:3](O)[C@:4]3([H])[C@H:5]4O[C@:6]4([CH3:17])[CH2:7][CH2:8][C@:9]5([H])[C@:10]6([CH3:18])[CH3:19]', '[H][C@@]56C=C(CO)C(=O)[C@@]3(OC(=O)C=Cc1ccccc1)C[C@H](COC(=O)c2ccccc2)[C@H](O)[C@]3([H])[C@H]4O[C@]4(C)CC[C@]5([H])[C@]6(C)C', '[H][C@@:30]56[CH:148]=[C:137]([CH2:58]O)[C:196](=O)[C@@:91]3(O[C:166](=O)[CH:117]=[CH:147][c:134]1[cH:128][cH:131][cH:129][cH:131][cH:128]1)[CH2:40][C@H:45]([CH2:64]O[C:168](=O)[c:130]2[cH:130][cH:128][cH:133][cH:128][cH:130]2)[C@H:75](O)[C@:52]3([H])[C@H:58]4O[C@:63]4([CH3:20])[CH2:39][CH2:23][C@:35]5([H])[C@:27]6([CH3:29])[CH3:16]', '47 52 H 22.40 -9.90 H 25.04 -11.10 H 19.24 -14.46 C:18 23.65 -8.69 C:19 25.37 -9.69 C:17 21.13 -12.00 O 15.41 -12.59 O 12.71 -15.71 O 17.96 -9.79 O 19.64 -8.11 O 17.74 -16.00 C:102 15.11 -10.19 C:103 13.71 -10.38 C:12 21.48 -11.33 C:107 11.18 -7.10 C:205 9.16 -11.93 C:106 10.66 -8.39 C:108 12.54 -6.90 C:206 10.31 -11.21 C:204 9.16 -13.32 C:105 11.57 -9.50 C:109 13.39 -8.02 C:207 11.57 -11.93 C:203 10.31 -14.11 C:20 20.60 -9.13 C:16 15.11 -14.52 C:7 22.75 -13.71 C:8 24.06 -12.98 C:1 16.66 -12.44 O 13.97 -13.71 O 17.34 -11.10 O 21.48 -14.60 C:101 15.94 -11.33 C:201 12.71 -14.31 C:14 18.83 -10.88 C:13 20.25 -10.57 C:104 12.87 -9.31 C:202 11.57 -13.52 C:3 17.74 -14.60 C:2 16.40 -13.90 C:5 20.25 -13.90 C:10 24.06 -10.06 C:6 21.48 -13.19 C:11 22.75 -10.75 C:9 24.06 -11.50 C:4 18.83 -13.52 C:15 18.19 -12.24 44 1 -2 45 2 -2 46 3 -2 42 4 -2 42 5 -1 43 6 -2 7 33 2 8 34 2 9 35 2 10 25 1 39 11 -1 12 13 2 12 33 1 13 37 1 14 36 2 14 44 1 15 17 1 15 18 2 16 19 1 16 20 2 17 21 2 18 22 1 19 23 2 20 24 1 21 37 1 22 37 2 23 38 1 24 38 2 25 36 1 26 30 1 40 26 -1 27 28 1 27 43 1 28 45 1 29 40 1 29 47 1 30 34 1 31 33 1 47 31 -1 41 32 -2 32 43 1 34 38 1 35 36 1 35 47 1 39 40 1 39 46 1 41 43 1 41 46 1 42 44 1 42 45 1 44 45 1 46 47 1', '47 52 H 22.40 -9.90 H 25.04 -11.10 H 19.24 -14.46 C 23.65 -8.69 C 25.37 -9.69 C 21.13 -12.00 O 15.41 -12.59 O 12.71 -15.71 O 17.96 -9.79 O 19.64 -8.11 O 17.74 -16.00 C 15.11 -10.19 C 13.71 -10.38 C 21.48 -11.33 C 11.18 -7.10 C 9.16 -11.93 C 10.66 -8.39 C 12.54 -6.90 C 10.31 -11.21 C 9.16 -13.32 C 11.57 -9.50 C 13.39 -8.02 C 11.57 -11.93 C 10.31 -14.11 C 20.60 -9.13 C 15.11 -14.52 C 22.75 -13.71 C 24.06 -12.98 C 16.66 -12.44 O 13.97 -13.71 O 17.34 -11.10 O 21.48 -14.60 C 15.94 -11.33 C 12.71 -14.31 C 18.83 -10.88 C 20.25 -10.57 C 12.87 -9.31 C 11.57 -13.52 C 17.74 -14.60 C 16.40 -13.90 C 20.25 -13.90 C 24.06 -10.06 C 21.48 -13.19 C 22.75 -10.75 C 24.06 -11.50 C 18.83 -13.52 C 18.19 -12.24 44 1 -2 45 2 -2 46 3 -2 42 4 -2 42 5 -1 43 6 -2 7 33 2 8 34 2 9 35 2 10 25 1 39 11 -1 12 13 2 12 33 1 13 37 1 14 36 2 14 44 1 15 17 1 15 18 2 16 19 1 16 20 2 17 21 2 18 22 1 19 23 2 20 24 1 21 37 1 22 37 2 23 38 1 24 38 2 25 36 1 26 30 1 40 26 -1 27 28 1 27 43 1 28 45 1 29 40 1 29 47 1 30 34 1 31 33 1 47 31 -1 41 32 -2 32 43 1 34 38 1 35 36 1 35 47 1 39 40 1 39 46 1 41 43 1 41 46 1 42 44 1 42 45 1 44 45 1 46 47 1', '47 52 H 22.40 -9.90 H 25.04 -11.10 H 19.24 -14.46 C:29 23.65 -8.69 C:16 25.37 -9.69 C:20 21.13 -12.00 O 15.41 -12.59 O 12.71 -15.71 O 17.96 -9.79 O 19.64 -8.11 O 17.74 -16.00 C:117 15.11 -10.19 C:147 13.71 -10.38 C:148 21.48 -11.33 C:129 11.18 -7.10 C:133 9.16 -11.93 C:131 10.66 -8.39 C:131 12.54 -6.90 C:128 10.31 -11.21 C:128 9.16 -13.32 C:128 11.57 -9.50 C:128 13.39 -8.02 C:130 11.57 -11.93 C:130 10.31 -14.11 C:58 20.60 -9.13 C:64 15.11 -14.52 C:39 22.75 -13.71 C:23 24.06 -12.98 C:40 16.66 -12.44 O 13.97 -13.71 O 17.34 -11.10 O 21.48 -14.60 C:166 15.94 -11.33 C:168 12.71 -14.31 C:196 18.83 -10.88 C:137 20.25 -10.57 C:134 12.87 -9.31 C:130 11.57 -13.52 C:75 17.74 -14.60 C:45 16.40 -13.90 C:58 20.25 -13.90 C:27 24.06 -10.06 C:63 21.48 -13.19 C:30 22.75 -10.75 C:35 24.06 -11.50 C:52 18.83 -13.52 C:91 18.19 -12.24 44 1 -2 45 2 -2 46 3 -2 42 4 -2 42 5 -1 43 6 -2 7 33 2 8 34 2 9 35 2 10 25 1 39 11 -1 12 13 2 12 33 1 13 37 1 14 36 2 14 44 1 15 17 1 15 18 2 16 19 1 16 20 2 17 21 2 18 22 1 19 23 2 20 24 1 21 37 1 22 37 2 23 38 1 24 38 2 25 36 1 26 30 1 40 26 -1 27 28 1 27 43 1 28 45 1 29 40 1 29 47 1 30 34 1 31 33 1 47 31 -1 41 32 -2 32 43 1 34 38 1 35 36 1 35 47 1 39 40 1 39 46 1 41 43 1 41 46 1 42 44 1 42 45 1 44 45 1 46 47 1', 'C36H40O8', 600.404, 'C', 'bmc07_546_2', 3740, '', '', '1', 47, NULL, NULL),
(14673, 'Jolkinol B', '[(2R*, 3S*, 4R*, 5R*, 6R*, 9S*,11S*,15R*)-15β-cinnamoyloxy-5α,6β-epoxy-3β-hydroxy-14-oxolathyr-12E-ene]', 'Terpenoids', 'Diterpenoids', 'Lathyranes', '[H][C@@:11]45[CH:12]=[C:13]([CH3:20])[C:14](=O)[C@@:15]2(O[C:101](=O)[CH:102]=[CH:103][c:104]1[cH:109][cH:108][cH:107][cH:106][cH:105]1)[CH2:1][C@H:2]([CH3:16])[C@H:3](O)[C@:4]2([H])[C@H:5]3O[C@:6]3([CH3:17])[CH2:7][CH2:8][C@:9]4([H])[C@@:10]5([CH3:19])[CH3:18]', '[H][C@@]45C=C(C)C(=O)[C@@]2(OC(=O)C=Cc1ccccc1)C[C@H](C)[C@H](O)[C@]2([H])[C@H]3O[C@]3(C)CC[C@]4([H])[C@@]5(C)C', '[H][C@@:30]45[CH:144]=[C:134]([CH3:12])[C:195](=O)[C@@:92]2(O[C:166](=O)[CH:117]=[CH:147][c:134]1[cH:128][cH:129][cH:131][cH:129][cH:128]1)[CH2:45][C@H:39]([CH3:13])[C@H:79](O)[C@:52]2([H])[C@H:58]3O[C@:64]3([CH3:20])[CH2:39][CH2:23][C@:34]4([H])[C@@:26]5([CH3:16])[CH3:29]', '37 41 H 21.63 -9.87 H 24.28 -11.14 H 18.48 -14.46 C:20 19.85 -9.10 C:16 14.34 -14.52 C:19 24.61 -9.66 C:18 22.90 -8.66 C:17 20.37 -11.99 O 14.64 -12.59 O 17.20 -9.76 O 16.98 -16.01 C:102 14.34 -10.17 C:103 12.93 -10.36 C:12 20.71 -11.28 C:107 10.37 -7.07 C:108 11.76 -6.88 C:106 9.85 -8.36 C:109 12.61 -7.99 C:105 10.74 -9.47 C:7 21.98 -13.75 C:8 23.31 -12.99 C:1 15.89 -12.44 O 16.57 -11.09 O 20.71 -14.60 C:13 19.49 -10.55 C:101 15.17 -11.28 C:14 18.07 -10.87 C:104 12.09 -9.28 C:2 15.63 -13.91 C:3 16.98 -14.60 C:5 19.49 -13.91 C:10 23.31 -10.03 C:6 20.71 -13.20 C:11 21.98 -10.74 C:9 23.31 -11.49 C:4 18.07 -13.58 C:15 17.43 -12.23 34 1 -2 35 2 -2 36 3 -2 4 25 1 29 5 -1 32 6 -1 32 7 -2 33 8 -2 9 26 2 10 27 2 30 11 -1 12 13 2 12 26 1 13 28 1 14 25 2 14 34 1 15 16 2 15 17 1 16 18 1 17 19 2 18 28 2 19 28 1 20 21 1 20 33 1 21 35 1 22 29 1 22 37 1 23 26 1 37 23 -1 31 24 -2 24 33 1 25 27 1 27 37 1 29 30 1 30 36 1 31 33 1 31 36 1 32 34 1 32 35 1 34 35 1 36 37 1', '37 41 H 21.63 -9.87 H 24.28 -11.14 H 18.48 -14.46 C 19.85 -9.10 C 14.34 -14.52 C 24.61 -9.66 C 22.90 -8.66 C 20.37 -11.99 O 14.64 -12.59 O 17.20 -9.76 O 16.98 -16.01 C 14.34 -10.17 C 12.93 -10.36 C 20.71 -11.28 C 10.37 -7.07 C 11.76 -6.88 C 9.85 -8.36 C 12.61 -7.99 C 10.74 -9.47 C 21.98 -13.75 C 23.31 -12.99 C 15.89 -12.44 O 16.57 -11.09 O 20.71 -14.60 C 19.49 -10.55 C 15.17 -11.28 C 18.07 -10.87 C 12.09 -9.28 C 15.63 -13.91 C 16.98 -14.60 C 19.49 -13.91 C 23.31 -10.03 C 20.71 -13.20 C 21.98 -10.74 C 23.31 -11.49 C 18.07 -13.58 C 17.43 -12.23 34 1 -2 35 2 -2 36 3 -2 4 25 1 29 5 -1 32 6 -1 32 7 -2 33 8 -2 9 26 2 10 27 2 30 11 -1 12 13 2 12 26 1 13 28 1 14 25 2 14 34 1 15 16 2 15 17 1 16 18 1 17 19 2 18 28 2 19 28 1 20 21 1 20 33 1 21 35 1 22 29 1 22 37 1 23 26 1 37 23 -1 31 24 -2 24 33 1 25 27 1 27 37 1 29 30 1 30 36 1 31 33 1 31 36 1 32 34 1 32 35 1 34 35 1 36 37 1', '37 41 H 21.63 -9.87 H 24.28 -11.14 H 18.48 -14.46 C:12 19.85 -9.10 C:13 14.34 -14.52 C:16 24.61 -9.66 C:29 22.90 -8.66 C:20 20.37 -11.99 O 14.64 -12.59 O 17.20 -9.76 O 16.98 -16.01 C:117 14.34 -10.17 C:147 12.93 -10.36 C:144 20.71 -11.28 C:131 10.37 -7.07 C:129 11.76 -6.88 C:129 9.85 -8.36 C:128 12.61 -7.99 C:128 10.74 -9.47 C:39 21.98 -13.75 C:23 23.31 -12.99 C:45 15.89 -12.44 O 16.57 -11.09 O 20.71 -14.60 C:134 19.49 -10.55 C:166 15.17 -11.28 C:195 18.07 -10.87 C:134 12.09 -9.28 C:39 15.63 -13.91 C:79 16.98 -14.60 C:58 19.49 -13.91 C:26 23.31 -10.03 C:64 20.71 -13.20 C:30 21.98 -10.74 C:34 23.31 -11.49 C:52 18.07 -13.58 C:92 17.43 -12.23 34 1 -2 35 2 -2 36 3 -2 4 25 1 29 5 -1 32 6 -1 32 7 -2 33 8 -2 9 26 2 10 27 2 30 11 -1 12 13 2 12 26 1 13 28 1 14 25 2 14 34 1 15 16 2 15 17 1 16 18 1 17 19 2 18 28 2 19 28 1 20 21 1 20 33 1 21 35 1 22 29 1 22 37 1 23 26 1 37 23 -1 31 24 -2 24 33 1 25 27 1 27 37 1 29 30 1 30 36 1 31 33 1 31 36 1 32 34 1 32 35 1 34 35 1 36 37 1', 'C29H36O5', 464.331, 'C', 'bmc07_546_4', 3740, '', '', '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
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(14693, 'Steenkrotin A', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:13]23[CH2:12][C@@H:11]([CH3:18])[C:10](=O)[C@@:9]14[CH2:1][C@H:2]([CH3:19])[C:3](=O)[C:4]1=[CH:5][C@@:6]5([CH3:20])O[C@:14]2([C@@:15]3([CH3:17])[CH3:16])[C@:8]4([H])[C@@H:7]5O', '[H][C@@]23C[C@@H](C)C(=O)[C@@]14C[C@H](C)C(=O)C1=C[C@@]5(C)O[C@]2([C@@]3(C)C)[C@]4([H])[C@@H]5O', '[H][C@@:25]23[CH2:30][C@@H:40]([CH3:17])[C:213](=O)[C@@:63]14[CH2:36][C@H:40]([CH3:15])[C:207](=O)[C:144]1=[CH:135][C@@:75]5([CH3:22])O[C@:74]2([C@@:23]3([CH3:17])[CH3:21])[C@:41]4([H])[C@@H:79]5O', '26 30 H 14.03 -13.42 H 17.10 -13.33 C:19 16.63 -7.34 C:18 13.80 -9.35 C:17 14.10 -15.21 C:16 15.46 -15.52 C:20 20.70 -13.02 O 19.42 -8.18 O 15.98 -8.73 O 18.29 -11.63 C:5 19.53 -10.95 C:12 14.03 -11.63 C:1 16.41 -9.52 O 17.78 -14.08 C:3 18.29 -8.87 C:10 15.98 -10.08 C:4 18.29 -10.25 C:2 17.10 -8.63 C:11 14.65 -10.41 C:7 18.29 -13.02 C:15 15.05 -14.19 C:6 19.53 -12.33 C:13 14.65 -12.87 C:8 17.10 -12.33 C:9 17.10 -10.95 C:14 15.98 -13.18 23 1 -1 24 2 -2 18 3 -2 19 4 -1 21 5 -2 21 6 -1 22 7 -2 8 15 2 9 16 2 20 10 -2 11 17 2 11 22 1 12 19 1 12 23 1 13 18 1 25 13 -2 14 22 1 26 14 -1 15 17 1 15 18 1 16 19 1 16 25 1 17 25 1 20 22 1 20 24 1 21 23 1 21 26 1 23 26 1 24 25 1 24 26 1', '26 30 H 14.03 -13.42 H 17.10 -13.33 C 16.63 -7.34 C 13.80 -9.35 C 14.10 -15.21 C 15.46 -15.52 C 20.70 -13.02 O 19.42 -8.18 O 15.98 -8.73 O 18.29 -11.63 C 19.53 -10.95 C 14.03 -11.63 C 16.41 -9.52 O 17.78 -14.08 C 18.29 -8.87 C 15.98 -10.08 C 18.29 -10.25 C 17.10 -8.63 C 14.65 -10.41 C 18.29 -13.02 C 15.05 -14.19 C 19.53 -12.33 C 14.65 -12.87 C 17.10 -12.33 C 17.10 -10.95 C 15.98 -13.18 23 1 -1 24 2 -2 18 3 -2 19 4 -1 21 5 -2 21 6 -1 22 7 -2 8 15 2 9 16 2 20 10 -2 11 17 2 11 22 1 12 19 1 12 23 1 13 18 1 25 13 -2 14 22 1 26 14 -1 15 17 1 15 18 1 16 19 1 16 25 1 17 25 1 20 22 1 20 24 1 21 23 1 21 26 1 23 26 1 24 25 1 24 26 1', '26 30 H 14.03 -13.42 H 17.10 -13.33 C:15 16.63 -7.34 C:17 13.80 -9.35 C:17 14.10 -15.21 C:21 15.46 -15.52 C:22 20.70 -13.02 O 19.42 -8.18 O 15.98 -8.73 O 18.29 -11.63 C:135 19.53 -10.95 C:30 14.03 -11.63 C:36 16.41 -9.52 O 17.78 -14.08 C:207 18.29 -8.87 C:213 15.98 -10.08 C:144 18.29 -10.25 C:40 17.10 -8.63 C:40 14.65 -10.41 C:79 18.29 -13.02 C:23 15.05 -14.19 C:75 19.53 -12.33 C:25 14.65 -12.87 C:41 17.10 -12.33 C:63 17.10 -10.95 C:74 15.98 -13.18 23 1 -1 24 2 -2 18 3 -2 19 4 -1 21 5 -2 21 6 -1 22 7 -2 8 15 2 9 16 2 20 10 -2 11 17 2 11 22 1 12 19 1 12 23 1 13 18 1 25 13 -2 14 22 1 26 14 -1 15 17 1 15 18 1 16 19 1 16 25 1 17 25 1 20 22 1 20 24 1 21 23 1 21 26 1 23 26 1 24 25 1 24 26 1', 'C20H26O4', 330.227, 'C', 'np08_1919_2', 3749, '', '', '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
(14694, 'Steenkrotin B', '', 'Terpenoids', 'Diterpenoids', 'Miscellanea', '[H][C@@:8]23[C@H:7](O)[C@@:6]4([CH3:20])[CH:5]=[C:4]1[C:3](=O)[C@@H:2]([CH3:19])[CH2:1][C@:9]12[C:10](=O)[C@H:11]([CH3:18])[CH2:12][C@@H:13]([C:15]([CH3:17])([CH3:16])O)[C@:14]3(O)OO4', '[H][C@@]23[C@H](O)[C@@]4(C)C=C1C(=O)[C@@H](C)C[C@]12C(=O)[C@H](C)C[C@@H](C(C)(C)O)[C@]3(O)OO4', '[H][C@@:37]23[C@H:76](O)[C@@:69]4([CH3:26])[CH:130]=[C:145]1[C:207](=O)[C@@H:39]([CH3:15])[CH2:40][C@:56]12[C:212](=O)[C@H:45]([CH3:18])[CH2:29][C@@H:60]([C:88]([CH3:26])([CH3:22])O)[C@:110]3(O)OO4', '28 31 H 17.77 -13.48 C:18 14.44 -9.46 C:19 17.29 -7.44 C:17 13.09 -13.94 C:16 14.93 -15.40 C:20 21.40 -13.15 O 20.10 -8.29 O 16.64 -8.84 O 18.97 -11.78 O 13.59 -15.24 O 16.64 -14.73 C:5 20.21 -11.07 C:12 14.69 -11.78 C:1 17.08 -9.64 O 19.81 -13.79 O 17.58 -14.40 C:3 18.97 -8.98 C:10 16.64 -10.20 C:4 18.97 -10.37 C:11 15.30 -10.53 C:2 17.77 -8.74 C:7 18.97 -13.18 C:13 15.30 -13.02 C:15 14.44 -14.13 C:6 20.21 -12.48 C:8 17.77 -12.48 C:14 16.64 -13.33 C:9 17.77 -11.07 26 1 -2 20 2 -1 21 3 -2 4 24 1 5 24 1 25 6 -2 7 17 2 8 18 2 22 9 -2 10 24 1 27 11 -2 12 19 2 12 25 1 13 20 1 13 23 1 14 21 1 28 14 -2 15 16 1 15 25 1 16 27 1 17 19 1 17 21 1 18 20 1 18 28 1 19 28 1 22 25 1 22 26 1 23 24 -2 23 27 1 26 27 1 26 28 1', '28 31 H 17.77 -13.48 C 14.44 -9.46 C 17.29 -7.44 C 13.09 -13.94 C 14.93 -15.40 C 21.40 -13.15 O 20.10 -8.29 O 16.64 -8.84 O 18.97 -11.78 O 13.59 -15.24 O 16.64 -14.73 C 20.21 -11.07 C 14.69 -11.78 C 17.08 -9.64 O 19.81 -13.79 O 17.58 -14.40 C 18.97 -8.98 C 16.64 -10.20 C 18.97 -10.37 C 15.30 -10.53 C 17.77 -8.74 C 18.97 -13.18 C 15.30 -13.02 C 14.44 -14.13 C 20.21 -12.48 C 17.77 -12.48 C 16.64 -13.33 C 17.77 -11.07 26 1 -2 20 2 -1 21 3 -2 4 24 1 5 24 1 25 6 -2 7 17 2 8 18 2 22 9 -2 10 24 1 27 11 -2 12 19 2 12 25 1 13 20 1 13 23 1 14 21 1 28 14 -2 15 16 1 15 25 1 16 27 1 17 19 1 17 21 1 18 20 1 18 28 1 19 28 1 22 25 1 22 26 1 23 24 -2 23 27 1 26 27 1 26 28 1', '28 31 H 17.77 -13.48 C:18 14.44 -9.46 C:15 17.29 -7.44 C:26 13.09 -13.94 C:22 14.93 -15.40 C:26 21.40 -13.15 O 20.10 -8.29 O 16.64 -8.84 O 18.97 -11.78 O 13.59 -15.24 O 16.64 -14.73 C:130 20.21 -11.07 C:29 14.69 -11.78 C:40 17.08 -9.64 O 19.81 -13.79 O 17.58 -14.40 C:207 18.97 -8.98 C:212 16.64 -10.20 C:145 18.97 -10.37 C:45 15.30 -10.53 C:39 17.77 -8.74 C:76 18.97 -13.18 C:60 15.30 -13.02 C:88 14.44 -14.13 C:69 20.21 -12.48 C:37 17.77 -12.48 C:110 16.64 -13.33 C:56 17.77 -11.07 26 1 -2 20 2 -1 21 3 -2 4 24 1 5 24 1 25 6 -2 7 17 2 8 18 2 22 9 -2 10 24 1 27 11 -2 12 19 2 12 25 1 13 20 1 13 23 1 14 21 1 28 14 -2 15 16 1 15 25 1 16 27 1 17 19 1 17 21 1 18 20 1 18 28 1 19 28 1 22 25 1 22 26 1 23 24 -2 23 27 1 26 27 1 26 28 1', 'C20H28O7', 380.218, 'C', 'np08_1919_3', 3749, '', '', '1', 1, NULL, NULL),
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