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
(6426, 'Renillin D', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]24[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001](=O)[CH2:2002][CH2:2003][CH3:2004])[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH2:13][C@H:12]3O[C@:11]34[CH3:20]', '[H][C@@]24[C@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(C)CC[C@H](OC(=O)CCC)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]3O[C@]34C', '[H][C@@:38]24[C@H:69](O[C:171]([CH3:21])=O)[C@:81]1(O)[C@@H:43]([CH3:7])[C:176](=O)O[C@H:79]1[CH:120]=[C:144]([CH3:27])[CH2:28][CH2:31][C@H:75](O[C:172](=O)[CH2:36][CH2:18][CH3:14])[C@@:43]2([CH3:15])[C@@H:73](O[C:170]([CH3:21])=O)[CH2:25][C@H:59]3O[C@:58]34[CH3:26]', '39 42 H 15.37 -12.47 C:2004 14.97 -4.36 C:14002 12.00 -7.62 C:9002 13.99 -17.77 C:16 20.27 -11.09 C:18 15.57 -17.00 C:20 13.25 -15.19 C:15 14.12 -10.36 O 10.82 -9.78 O 12.80 -15.65 O 16.92 -8.11 O 18.56 -17.92 O 16.74 -13.39 C:6 18.96 -13.11 C:2003 15.61 -5.60 C:2002 14.86 -6.78 C:4 18.10 -10.46 C:3 16.78 -10.04 C:13 12.20 -11.71 O 13.24 -9.67 O 15.24 -15.69 O 14.76 -9.22 O 18.92 -15.48 O 12.11 -14.46 C:14001 12.00 -9.02 C:9001 14.01 -16.37 C:5 18.96 -11.59 C:2001 15.51 -8.04 C:19 18.09 -16.62 C:17 16.74 -16.19 C:7 18.10 -14.35 C:2 15.40 -10.45 C:12 12.20 -13.09 C:14 13.31 -11.05 C:9 15.26 -14.29 C:11 13.31 -13.79 C:10 14.48 -13.09 C:1 14.48 -11.71 C:8 16.74 -14.79 37 1 -2 2 15 1 3 25 1 4 26 1 5 27 1 30 6 -2 36 7 -1 38 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 39 13 -2 14 27 2 14 31 1 15 16 1 16 28 1 17 18 1 17 27 1 18 32 1 19 33 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -1 22 28 1 32 22 -1 23 29 1 31 23 -2 33 24 -2 36 24 -2 29 30 1 30 39 1 31 39 1 32 38 1 33 36 1 34 38 1 35 37 1 35 39 1 36 37 1 37 38 1', '39 42 H 15.37 -12.47 C 14.97 -4.36 C 12.00 -7.62 C 13.99 -17.77 C 20.27 -11.09 C 15.57 -17.00 C 13.25 -15.19 C 14.12 -10.36 O 10.82 -9.78 O 12.80 -15.65 O 16.92 -8.11 O 18.56 -17.92 O 16.74 -13.39 C 18.96 -13.11 C 15.61 -5.60 C 14.86 -6.78 C 18.10 -10.46 C 16.78 -10.04 C 12.20 -11.71 O 13.24 -9.67 O 15.24 -15.69 O 14.76 -9.22 O 18.92 -15.48 O 12.11 -14.46 C 12.00 -9.02 C 14.01 -16.37 C 18.96 -11.59 C 15.51 -8.04 C 18.09 -16.62 C 16.74 -16.19 C 18.10 -14.35 C 15.40 -10.45 C 12.20 -13.09 C 13.31 -11.05 C 15.26 -14.29 C 13.31 -13.79 C 14.48 -13.09 C 14.48 -11.71 C 16.74 -14.79 37 1 -2 2 15 1 3 25 1 4 26 1 5 27 1 30 6 -2 36 7 -1 38 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 39 13 -2 14 27 2 14 31 1 15 16 1 16 28 1 17 18 1 17 27 1 18 32 1 19 33 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -1 22 28 1 32 22 -1 23 29 1 31 23 -2 33 24 -2 36 24 -2 29 30 1 30 39 1 31 39 1 32 38 1 33 36 1 34 38 1 35 37 1 35 39 1 36 37 1 37 38 1', '39 42 H 15.37 -12.47 C:14 14.97 -4.36 C:21 12.00 -7.62 C:21 13.99 -17.77 C:27 20.27 -11.09 C:7 15.57 -17.00 C:26 13.25 -15.19 C:15 14.12 -10.36 O 10.82 -9.78 O 12.80 -15.65 O 16.92 -8.11 O 18.56 -17.92 O 16.74 -13.39 C:120 18.96 -13.11 C:18 15.61 -5.60 C:36 14.86 -6.78 C:28 18.10 -10.46 C:31 16.78 -10.04 C:25 12.20 -11.71 O 13.24 -9.67 O 15.24 -15.69 O 14.76 -9.22 O 18.92 -15.48 O 12.11 -14.46 C:170 12.00 -9.02 C:171 14.01 -16.37 C:144 18.96 -11.59 C:172 15.51 -8.04 C:176 18.09 -16.62 C:43 16.74 -16.19 C:79 18.10 -14.35 C:75 15.40 -10.45 C:59 12.20 -13.09 C:73 13.31 -11.05 C:69 15.26 -14.29 C:58 13.31 -13.79 C:38 14.48 -13.09 C:43 14.48 -11.71 C:81 16.74 -14.79 37 1 -2 2 15 1 3 25 1 4 26 1 5 27 1 30 6 -2 36 7 -1 38 8 -1 9 25 2 10 26 2 11 28 2 12 29 2 39 13 -2 14 27 2 14 31 1 15 16 1 16 28 1 17 18 1 17 27 1 18 32 1 19 33 1 19 34 1 20 25 1 34 20 -2 21 26 1 35 21 -1 22 28 1 32 22 -1 23 29 1 31 23 -2 33 24 -2 36 24 -2 29 30 1 30 39 1 31 39 1 32 38 1 33 36 1 34 38 1 35 37 1 35 39 1 36 37 1 37 38 1', 'C28H40O10', 536.302, 'D', 'np05_511_4', 183, '', '', '1', 1, NULL, NULL),
(6427, 'Briaranolide A', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:4](O[C:4001]([CH3:4002])=O)[C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:44]14[C:131]([CH3:22])=[CH:122][CH2:28][C@H:74](O[C:170]([CH3:21])=O)[C@:42]1([CH3:18])[C@@H:73](O[C:169]([CH3:21])=O)[C@@H:71](O[C:169]([CH3:21])=O)[C@H:66](O[C:169]([CH3:21])=O)[C:141]([CH3:17])=[CH:124][C@@H:75]2O[C:171](=O)[C@:62]3([CH3:10])O[C@:71]23[C@H:73]4O[C:169]([CH3:21])=O', '44 47 H 14.98 -11.37 C:14002 11.63 -6.52 C:4002 20.67 -7.11 C:3002 17.72 -5.52 C:2002 14.47 -5.68 C:9002 13.61 -16.67 C:16 19.88 -9.99 C:20 12.93 -14.09 C:18 15.18 -15.90 C:15 13.74 -9.26 O 10.45 -8.69 O 20.51 -9.53 O 18.89 -7.69 O 16.51 -7.02 O 12.43 -14.55 O 18.19 -16.82 C:12 11.83 -11.99 C:6 18.58 -12.01 C:13 11.83 -10.61 O 12.86 -8.58 O 18.50 -8.19 O 16.47 -7.55 O 18.54 -14.37 O 14.37 -8.13 O 14.85 -14.59 O 17.56 -14.38 C:14001 11.63 -7.93 C:4001 19.89 -8.27 C:3001 17.72 -6.92 C:2001 15.12 -6.94 C:9001 13.63 -15.27 C:5 18.58 -10.49 C:11 12.93 -12.69 C:19 17.71 -15.52 C:7 17.72 -13.25 C:14 12.93 -9.95 C:4 17.72 -9.36 C:3 16.39 -8.94 C:2 15.01 -9.35 C:9 14.87 -13.19 C:10 14.09 -11.99 C:17 16.35 -15.09 C:1 14.09 -10.61 C:8 16.35 -13.69 41 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 8 33 1 42 9 -1 43 10 -1 11 27 2 12 28 2 13 29 2 14 30 2 15 31 2 16 34 2 17 19 1 17 33 2 18 32 2 18 35 1 19 36 1 20 27 1 36 20 -2 21 28 1 37 21 -2 22 29 1 38 22 -1 23 34 1 35 23 -2 24 30 1 39 24 -1 25 31 1 40 25 -1 42 26 -2 44 26 -2 32 37 1 33 41 1 34 42 1 35 44 1 36 43 1 37 38 1 38 39 1 39 43 1 40 41 1 40 44 1 41 43 1 42 44 1', '44 47 H 14.98 -11.37 C 11.63 -6.52 C 20.67 -7.11 C 17.72 -5.52 C 14.47 -5.68 C 13.61 -16.67 C 19.88 -9.99 C 12.93 -14.09 C 15.18 -15.90 C 13.74 -9.26 O 10.45 -8.69 O 20.51 -9.53 O 18.89 -7.69 O 16.51 -7.02 O 12.43 -14.55 O 18.19 -16.82 C 11.83 -11.99 C 18.58 -12.01 C 11.83 -10.61 O 12.86 -8.58 O 18.50 -8.19 O 16.47 -7.55 O 18.54 -14.37 O 14.37 -8.13 O 14.85 -14.59 O 17.56 -14.38 C 11.63 -7.93 C 19.89 -8.27 C 17.72 -6.92 C 15.12 -6.94 C 13.63 -15.27 C 18.58 -10.49 C 12.93 -12.69 C 17.71 -15.52 C 17.72 -13.25 C 12.93 -9.95 C 17.72 -9.36 C 16.39 -8.94 C 15.01 -9.35 C 14.87 -13.19 C 14.09 -11.99 C 16.35 -15.09 C 14.09 -10.61 C 16.35 -13.69 41 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 8 33 1 42 9 -1 43 10 -1 11 27 2 12 28 2 13 29 2 14 30 2 15 31 2 16 34 2 17 19 1 17 33 2 18 32 2 18 35 1 19 36 1 20 27 1 36 20 -2 21 28 1 37 21 -2 22 29 1 38 22 -1 23 34 1 35 23 -2 24 30 1 39 24 -1 25 31 1 40 25 -1 42 26 -2 44 26 -2 32 37 1 33 41 1 34 42 1 35 44 1 36 43 1 37 38 1 38 39 1 39 43 1 40 41 1 40 44 1 41 43 1 42 44 1', '44 47 H 14.98 -11.37 C:21 11.63 -6.52 C:21 20.67 -7.11 C:21 17.72 -5.52 C:21 14.47 -5.68 C:21 13.61 -16.67 C:17 19.88 -9.99 C:22 12.93 -14.09 C:10 15.18 -15.90 C:18 13.74 -9.26 O 10.45 -8.69 O 20.51 -9.53 O 18.89 -7.69 O 16.51 -7.02 O 12.43 -14.55 O 18.19 -16.82 C:122 11.83 -11.99 C:124 18.58 -12.01 C:28 11.83 -10.61 O 12.86 -8.58 O 18.50 -8.19 O 16.47 -7.55 O 18.54 -14.37 O 14.37 -8.13 O 14.85 -14.59 O 17.56 -14.38 C:170 11.63 -7.93 C:169 19.89 -8.27 C:169 17.72 -6.92 C:169 15.12 -6.94 C:169 13.63 -15.27 C:141 18.58 -10.49 C:131 12.93 -12.69 C:171 17.71 -15.52 C:75 17.72 -13.25 C:74 12.93 -9.95 C:66 17.72 -9.36 C:71 16.39 -8.94 C:73 15.01 -9.35 C:73 14.87 -13.19 C:44 14.09 -11.99 C:62 16.35 -15.09 C:42 14.09 -10.61 C:71 16.35 -13.69 41 1 -2 2 27 1 3 28 1 4 29 1 5 30 1 6 31 1 7 32 1 8 33 1 42 9 -1 43 10 -1 11 27 2 12 28 2 13 29 2 14 30 2 15 31 2 16 34 2 17 19 1 17 33 2 18 32 2 18 35 1 19 36 1 20 27 1 36 20 -2 21 28 1 37 21 -2 22 29 1 38 22 -1 23 34 1 35 23 -2 24 30 1 39 24 -1 25 31 1 40 25 -1 42 26 -2 44 26 -2 32 37 1 33 41 1 34 42 1 35 44 1 36 43 1 37 38 1 38 39 1 39 43 1 40 41 1 40 44 1 41 43 1 42 44 1', 'C30H38O13', 606.321, 'C', 'np05_1328_1', 903, '', '', '1', 1, NULL, NULL),
(6428, 'Briaranolide B', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[C@H:4](O[C:4001](=O)[CH2:4002][CH2:4003][CH3:4004])[C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)CCC)C(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:44]14[C:131]([CH3:22])=[CH:122][CH2:28][C@H:74](O[C:170]([CH3:21])=O)[C@:42]1([CH3:18])[C@@H:73](O[C:169]([CH3:21])=O)[C@@H:71](O[C:169]([CH3:21])=O)[C@H:65](O[C:172](=O)[CH2:36][CH2:18][CH3:14])[C:141]([CH3:18])=[CH:124][C@@H:75]2O[C:171](=O)[C@:62]3([CH3:10])O[C@:71]23[C@H:73]4O[C:169]([CH3:21])=O', '46 49 H 13.91 -11.36 C:4004 21.79 -6.02 C:14002 10.49 -6.51 C:3002 16.73 -5.51 C:2002 13.40 -5.67 C:9002 12.55 -16.67 C:16 18.81 -9.98 C:20 11.80 -14.08 C:18 14.11 -15.89 C:15 12.67 -9.25 O 9.38 -8.68 O 17.82 -7.68 O 15.44 -7.01 O 11.37 -14.56 O 19.45 -9.52 O 17.12 -16.81 C:12 10.76 -11.98 C:6 17.51 -12.00 C:4003 21.00 -7.18 C:13 10.76 -10.60 C:4002 19.61 -7.10 O 11.79 -8.57 O 15.40 -7.54 O 13.30 -8.12 O 13.79 -14.58 O 17.47 -14.36 O 17.43 -8.18 O 16.49 -14.37 C:14001 10.49 -7.92 C:3001 16.73 -6.91 C:2001 14.05 -6.93 C:9001 12.57 -15.27 C:5 17.51 -10.48 C:11 11.80 -12.68 C:4001 18.82 -8.26 C:19 16.64 -15.51 C:7 16.65 -13.24 C:14 11.86 -9.94 C:4 16.65 -9.35 C:3 15.32 -8.93 C:2 13.94 -9.34 C:9 13.80 -13.18 C:10 13.02 -11.98 C:17 15.28 -15.08 C:1 13.02 -10.60 C:8 15.28 -13.68 43 1 -2 2 19 1 3 29 1 4 30 1 5 31 1 6 32 1 7 33 1 8 34 1 44 9 -1 45 10 -1 11 29 2 12 30 2 13 31 2 14 32 2 15 35 2 16 36 2 17 20 1 17 34 2 18 33 2 18 37 1 19 21 1 20 38 1 21 35 1 22 29 1 38 22 -2 23 30 1 40 23 -1 24 31 1 41 24 -1 25 32 1 42 25 -1 26 36 1 37 26 -2 27 35 1 39 27 -2 44 28 -2 46 28 -2 33 39 1 34 43 1 36 44 1 37 46 1 38 45 1 39 40 1 40 41 1 41 45 1 42 43 1 42 46 1 43 45 1 44 46 1', '46 49 H 13.91 -11.36 C 21.79 -6.02 C 10.49 -6.51 C 16.73 -5.51 C 13.40 -5.67 C 12.55 -16.67 C 18.81 -9.98 C 11.80 -14.08 C 14.11 -15.89 C 12.67 -9.25 O 9.38 -8.68 O 17.82 -7.68 O 15.44 -7.01 O 11.37 -14.56 O 19.45 -9.52 O 17.12 -16.81 C 10.76 -11.98 C 17.51 -12.00 C 21.00 -7.18 C 10.76 -10.60 C 19.61 -7.10 O 11.79 -8.57 O 15.40 -7.54 O 13.30 -8.12 O 13.79 -14.58 O 17.47 -14.36 O 17.43 -8.18 O 16.49 -14.37 C 10.49 -7.92 C 16.73 -6.91 C 14.05 -6.93 C 12.57 -15.27 C 17.51 -10.48 C 11.80 -12.68 C 18.82 -8.26 C 16.64 -15.51 C 16.65 -13.24 C 11.86 -9.94 C 16.65 -9.35 C 15.32 -8.93 C 13.94 -9.34 C 13.80 -13.18 C 13.02 -11.98 C 15.28 -15.08 C 13.02 -10.60 C 15.28 -13.68 43 1 -2 2 19 1 3 29 1 4 30 1 5 31 1 6 32 1 7 33 1 8 34 1 44 9 -1 45 10 -1 11 29 2 12 30 2 13 31 2 14 32 2 15 35 2 16 36 2 17 20 1 17 34 2 18 33 2 18 37 1 19 21 1 20 38 1 21 35 1 22 29 1 38 22 -2 23 30 1 40 23 -1 24 31 1 41 24 -1 25 32 1 42 25 -1 26 36 1 37 26 -2 27 35 1 39 27 -2 44 28 -2 46 28 -2 33 39 1 34 43 1 36 44 1 37 46 1 38 45 1 39 40 1 40 41 1 41 45 1 42 43 1 42 46 1 43 45 1 44 46 1', '46 49 H 13.91 -11.36 C:14 21.79 -6.02 C:21 10.49 -6.51 C:21 16.73 -5.51 C:21 13.40 -5.67 C:21 12.55 -16.67 C:18 18.81 -9.98 C:22 11.80 -14.08 C:10 14.11 -15.89 C:18 12.67 -9.25 O 9.38 -8.68 O 17.82 -7.68 O 15.44 -7.01 O 11.37 -14.56 O 19.45 -9.52 O 17.12 -16.81 C:122 10.76 -11.98 C:124 17.51 -12.00 C:18 21.00 -7.18 C:28 10.76 -10.60 C:36 19.61 -7.10 O 11.79 -8.57 O 15.40 -7.54 O 13.30 -8.12 O 13.79 -14.58 O 17.47 -14.36 O 17.43 -8.18 O 16.49 -14.37 C:170 10.49 -7.92 C:169 16.73 -6.91 C:169 14.05 -6.93 C:169 12.57 -15.27 C:141 17.51 -10.48 C:131 11.80 -12.68 C:172 18.82 -8.26 C:171 16.64 -15.51 C:75 16.65 -13.24 C:74 11.86 -9.94 C:65 16.65 -9.35 C:71 15.32 -8.93 C:73 13.94 -9.34 C:73 13.80 -13.18 C:44 13.02 -11.98 C:62 15.28 -15.08 C:42 13.02 -10.60 C:71 15.28 -13.68 43 1 -2 2 19 1 3 29 1 4 30 1 5 31 1 6 32 1 7 33 1 8 34 1 44 9 -1 45 10 -1 11 29 2 12 30 2 13 31 2 14 32 2 15 35 2 16 36 2 17 20 1 17 34 2 18 33 2 18 37 1 19 21 1 20 38 1 21 35 1 22 29 1 38 22 -2 23 30 1 40 23 -1 24 31 1 41 24 -1 25 32 1 42 25 -1 26 36 1 37 26 -2 27 35 1 39 27 -2 44 28 -2 46 28 -2 33 39 1 34 43 1 36 44 1 37 46 1 38 45 1 39 40 1 40 41 1 41 45 1 42 43 1 42 46 1 43 45 1 44 46 1', 'C32H42O13', 634.343, 'C', 'np05_1328_2', 903, '', '', '1', 1, NULL, NULL),
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(6437, '2,9-diacetyl-2-debutyrylstecholide H', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]34[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]12O[C@@:17]1([CH3:18])[C:19](=O)O[C@H:7]2[CH:6]=[C:5]([CH3:16])[CH2:4][CH2:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]3([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[CH:13]=[CH:12][C@@:11]4([CH3:20])O', '[H][C@@]34[C@H](OC(C)=O)[C@]12O[C@@]1(C)C(=O)O[C@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)C=C[C@@]4(C)O', '[H][C@@:40]34[C@H:74](O[C:170]([CH3:22])=O)[C@:69]12O[C@@:62]1([CH3:10])[C:172](=O)O[C@H:73]2[CH:120]=[C:146]([CH3:26])[CH2:26][CH2:24][C@H:73](O[C:170]([CH3:21])=O)[C@@:46]3([CH3:21])[C@@H:79](O[C:9999]([CH3:9999])=O)[CH:141]=[CH:121][C@@:72]4([CH3:28])O', '37 40 H 15.38 -11.24 C:14002 12.01 -6.40 C:2002 14.87 -5.56 C:9002 14.11 -16.58 C:16 20.28 -9.87 C:20 13.97 -13.80 C:18 15.58 -15.77 C:15 14.13 -9.13 O 10.81 -8.56 O 16.94 -6.89 O 12.87 -14.50 O 18.57 -16.70 O 12.57 -13.74 C:13 12.21 -10.48 C:12 12.21 -11.86 C:6 18.97 -11.88 C:4 18.11 -9.23 C:3 16.80 -8.82 O 13.25 -8.45 O 14.77 -8.00 O 18.93 -14.25 O 15.29 -14.46 O 17.95 -14.26 C:14001 12.01 -7.80 C:2001 15.52 -6.82 C:9001 14.09 -15.18 C:5 18.97 -10.36 C:19 18.10 -15.39 C:14 13.32 -9.83 C:7 18.11 -13.12 C:2 15.41 -9.22 C:9 15.27 -13.06 C:11 13.32 -12.56 C:17 16.76 -14.96 C:10 14.49 -11.86 C:1 14.49 -10.48 C:8 16.76 -13.56 35 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -1 34 7 -1 36 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 33 13 -2 14 15 2 14 29 1 15 33 1 16 27 2 16 30 1 17 18 1 17 27 1 18 31 1 19 24 1 29 19 -2 20 25 1 31 20 -1 21 28 1 30 21 -2 22 26 1 32 22 -1 34 23 -2 37 23 -2 28 34 1 29 36 1 30 37 1 31 36 1 32 35 1 32 37 1 33 35 1 34 37 1 35 36 1', '37 40 H 15.38 -11.24 C 12.01 -6.40 C 14.87 -5.56 C 14.11 -16.58 C 20.28 -9.87 C 13.97 -13.80 C 15.58 -15.77 C 14.13 -9.13 O 10.81 -8.56 O 16.94 -6.89 O 12.87 -14.50 O 18.57 -16.70 O 12.57 -13.74 C 12.21 -10.48 C 12.21 -11.86 C 18.97 -11.88 C 18.11 -9.23 C 16.80 -8.82 O 13.25 -8.45 O 14.77 -8.00 O 18.93 -14.25 O 15.29 -14.46 O 17.95 -14.26 C 12.01 -7.80 C 15.52 -6.82 C 14.09 -15.18 C 18.97 -10.36 C 18.10 -15.39 C 13.32 -9.83 C 18.11 -13.12 C 15.41 -9.22 C 15.27 -13.06 C 13.32 -12.56 C 16.76 -14.96 C 14.49 -11.86 C 14.49 -10.48 C 16.76 -13.56 35 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -1 34 7 -1 36 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 33 13 -2 14 15 2 14 29 1 15 33 1 16 27 2 16 30 1 17 18 1 17 27 1 18 31 1 19 24 1 29 19 -2 20 25 1 31 20 -1 21 28 1 30 21 -2 22 26 1 32 22 -1 34 23 -2 37 23 -2 28 34 1 29 36 1 30 37 1 31 36 1 32 35 1 32 37 1 33 35 1 34 37 1 35 36 1', '37 40 H 15.38 -11.24 C 12.01 -6.40 C:21 14.87 -5.56 C:22 14.11 -16.58 C:26 20.28 -9.87 C:28 13.97 -13.80 C:10 15.58 -15.77 C:21 14.13 -9.13 O 10.81 -8.56 O 16.94 -6.89 O 12.87 -14.50 O 18.57 -16.70 O 12.57 -13.74 C:141 12.21 -10.48 C:121 12.21 -11.86 C:120 18.97 -11.88 C:26 18.11 -9.23 C:24 16.80 -8.82 O 13.25 -8.45 O 14.77 -8.00 O 18.93 -14.25 O 15.29 -14.46 O 17.95 -14.26 C 12.01 -7.80 C:170 15.52 -6.82 C:170 14.09 -15.18 C:146 18.97 -10.36 C:172 18.10 -15.39 C:79 13.32 -9.83 C:73 18.11 -13.12 C:73 15.41 -9.22 C:74 15.27 -13.06 C:72 13.32 -12.56 C:62 16.76 -14.96 C:40 14.49 -11.86 C:46 14.49 -10.48 C:69 16.76 -13.56 35 1 -2 2 24 1 3 25 1 4 26 1 5 27 1 33 6 -1 34 7 -1 36 8 -1 9 24 2 10 25 2 11 26 2 12 28 2 33 13 -2 14 15 2 14 29 1 15 33 1 16 27 2 16 30 1 17 18 1 17 27 1 18 31 1 19 24 1 29 19 -2 20 25 1 31 20 -1 21 28 1 30 21 -2 22 26 1 32 22 -1 34 23 -2 37 23 -2 28 34 1 29 36 1 30 37 1 31 36 1 32 35 1 32 37 1 33 35 1 34 37 1 35 36 1', 'C26H34O10', 506.28, 'C', 'np98_313_1', 1911, '', '', '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
(6438, '13-dehydroxystecholide J', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@:10]14[C:11]([CH3:20])=[CH:12][CH2:13][C@H:14](O[C:14001]([CH3:14002])=O)[C@:1]1([CH3:15])[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001]([CH3:3002])=O)[CH2:4][C:5]([CH3:16])=[CH:6][C@@H:7]2O[C:19](=O)[C@:17]3([CH3:18])O[C@:8]23[C@H:9]4O[C:9001]([CH3:9002])=O', '[H][C@]14C(C)=CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H]4OC(C)=O', '[H][C@:44]14[C:135]([CH3:21])=[CH:122][CH2:28][C@H:76](O[C:170]([CH3:24])=O)[C@:44]1([CH3:17])[C@@H:73](O[C:169]([CH3:21])=O)[C@@H:73](O[C:170]([CH3:21])=O)[CH2:34][C:143]([CH3:24])=[CH:122][C@@H:74]2O[C:171](=O)[C@:62]3([CH3:11])O[C@:74]23[C@H:73]4O[C:170]([CH3:22])=O', '40 43 H 15.38 -11.29 C:3002 18.19 -5.49 C:14002 12.01 -6.45 C:2002 14.87 -5.61 C:9002 14.11 -16.63 C:16 20.28 -9.92 C:20 13.32 -14.01 C:18 15.58 -15.82 C:15 14.13 -9.18 O 19.34 -7.67 O 10.81 -8.61 O 16.94 -6.94 O 12.87 -14.55 O 18.57 -16.75 C:12 12.21 -11.91 C:6 18.97 -11.93 C:13 12.21 -10.53 C:4 18.11 -9.28 O 16.92 -7.48 O 13.25 -8.50 O 14.77 -8.05 O 18.93 -14.30 O 15.29 -14.51 O 17.95 -14.31 C:3001 18.19 -6.88 C:14001 12.01 -7.85 C:2001 15.52 -6.87 C:9001 14.09 -15.23 C:5 18.97 -10.41 C:11 13.32 -12.61 C:19 18.10 -15.44 C:7 18.11 -13.17 C:3 16.80 -8.87 C:14 13.32 -9.88 C:2 15.41 -9.27 C:9 15.27 -13.11 C:10 14.49 -11.91 C:17 16.76 -15.01 C:1 14.49 -10.53 C:8 16.76 -13.61 37 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 15 17 1 15 30 2 16 29 2 16 32 1 17 34 1 18 29 1 18 33 1 19 25 1 33 19 -1 20 26 1 34 20 -2 21 27 1 35 21 -1 22 31 1 32 22 -2 23 28 1 36 23 -1 38 24 -2 40 24 -2 30 37 1 31 38 1 32 40 1 33 35 1 34 39 1 35 39 1 36 37 1 36 40 1 37 39 1 38 40 1', '40 43 H 15.38 -11.29 C 18.19 -5.49 C 12.01 -6.45 C 14.87 -5.61 C 14.11 -16.63 C 20.28 -9.92 C 13.32 -14.01 C 15.58 -15.82 C 14.13 -9.18 O 19.34 -7.67 O 10.81 -8.61 O 16.94 -6.94 O 12.87 -14.55 O 18.57 -16.75 C 12.21 -11.91 C 18.97 -11.93 C 12.21 -10.53 C 18.11 -9.28 O 16.92 -7.48 O 13.25 -8.50 O 14.77 -8.05 O 18.93 -14.30 O 15.29 -14.51 O 17.95 -14.31 C 18.19 -6.88 C 12.01 -7.85 C 15.52 -6.87 C 14.09 -15.23 C 18.97 -10.41 C 13.32 -12.61 C 18.10 -15.44 C 18.11 -13.17 C 16.80 -8.87 C 13.32 -9.88 C 15.41 -9.27 C 15.27 -13.11 C 14.49 -11.91 C 16.76 -15.01 C 14.49 -10.53 C 16.76 -13.61 37 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 15 17 1 15 30 2 16 29 2 16 32 1 17 34 1 18 29 1 18 33 1 19 25 1 33 19 -1 20 26 1 34 20 -2 21 27 1 35 21 -1 22 31 1 32 22 -2 23 28 1 36 23 -1 38 24 -2 40 24 -2 30 37 1 31 38 1 32 40 1 33 35 1 34 39 1 35 39 1 36 37 1 36 40 1 37 39 1 38 40 1', '40 43 H 15.38 -11.29 C:21 18.19 -5.49 C:24 12.01 -6.45 C:21 14.87 -5.61 C:22 14.11 -16.63 C:24 20.28 -9.92 C:21 13.32 -14.01 C:11 15.58 -15.82 C:17 14.13 -9.18 O 19.34 -7.67 O 10.81 -8.61 O 16.94 -6.94 O 12.87 -14.55 O 18.57 -16.75 C:122 12.21 -11.91 C:122 18.97 -11.93 C:28 12.21 -10.53 C:34 18.11 -9.28 O 16.92 -7.48 O 13.25 -8.50 O 14.77 -8.05 O 18.93 -14.30 O 15.29 -14.51 O 17.95 -14.31 C:170 18.19 -6.88 C:170 12.01 -7.85 C:169 15.52 -6.87 C:170 14.09 -15.23 C:143 18.97 -10.41 C:135 13.32 -12.61 C:171 18.10 -15.44 C:74 18.11 -13.17 C:73 16.80 -8.87 C:76 13.32 -9.88 C:73 15.41 -9.27 C:73 15.27 -13.11 C:44 14.49 -11.91 C:62 16.76 -15.01 C:44 14.49 -10.53 C:74 16.76 -13.61 37 1 -2 2 25 1 3 26 1 4 27 1 5 28 1 6 29 1 7 30 1 38 8 -1 39 9 -1 10 25 2 11 26 2 12 27 2 13 28 2 14 31 2 15 17 1 15 30 2 16 29 2 16 32 1 17 34 1 18 29 1 18 33 1 19 25 1 33 19 -1 20 26 1 34 20 -2 21 27 1 35 21 -1 22 31 1 32 22 -2 23 28 1 36 23 -1 38 24 -2 40 24 -2 30 37 1 31 38 1 32 40 1 33 35 1 34 39 1 35 39 1 36 37 1 36 40 1 37 39 1 38 40 1', 'C28H36O11', 548.301, 'C', 'np98_313_2', 1911, '', '', '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
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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
(6476, 'Gemmacolides F', '', 'Terpenoids', 'Diterpenoids', 'Briaranes', '[H][C@@:10]23[C@@H:9](O[C:9001]([CH3:9002])=O)[C@:8]1(O)[C@@H:17]([CH3:18])[C:19](=O)O[C@H:7]1[CH:6]=[C:5]([CH2:16]O[C:16001]([CH3:16002])=O)[CH:4]=[CH:3][C@@H:2](O)[C@@:1]2([CH3:15])[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@H:13](O[C:13001]([CH3:13002])=O)[C@@H:12](O[C:12001]([CH3:12002])=O)[C@:11]34[CH2:20]O4', '[H][C@@]23[C@@H](OC(C)=O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1C=C(COC(C)=O)C=C[C@@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34CO4', '[H][C@@:33]23[C@@H:79](O[C:170]([CH3:21])=O)[C@:82]1(O)[C@@H:44]([CH3:6])[C:175](=O)O[C@H:74]1[CH:125]=[C:140]([CH2:65]O[C:170]([CH3:21])=O)[CH:137]=[CH:124][C@@H:64](O)[C@@:46]2([CH3:13])[C@@H:72](O[C:170]([CH3:21])=O)[C@@H:67](O[C:170]([CH3:21])=O)[C@@H:75](O[C:170]([CH3:22])=O)[C@:58]34[CH2:49]O4', '46 49 H 14.78 -10.93 C:16002 23.21 -10.11 C:13002 9.21 -7.30 C:14002 11.55 -5.95 C:12002 7.92 -12.24 C:9002 13.46 -16.23 C:18 14.97 -15.43 C:15 13.52 -8.81 O 22.00 -7.99 O 7.98 -9.35 O 10.30 -7.97 O 9.14 -10.13 O 12.25 -14.13 O 17.96 -16.36 O 14.17 -7.66 O 16.13 -11.83 C:4 17.49 -8.91 C:3 16.16 -8.50 C:6 18.35 -11.57 C:16 19.56 -9.41 C:20 12.73 -13.62 O 20.78 -10.11 O 11.52 -12.92 O 10.39 -9.43 O 12.73 -8.11 O 10.35 -12.25 O 18.31 -13.91 O 14.67 -14.13 C:16001 22.00 -9.41 C:13001 9.21 -8.69 C:14001 11.55 -7.34 C:12001 9.14 -11.54 C:9001 13.46 -14.83 C:5 18.35 -10.05 C:19 17.48 -15.04 C:17 16.13 -14.62 C:2 14.80 -8.90 C:7 17.49 -12.78 C:13 11.57 -10.17 C:14 12.73 -9.51 C:12 11.57 -11.55 C:9 14.67 -12.73 C:10 13.88 -11.55 C:1 13.88 -10.17 C:8 16.13 -13.23 C:11 12.73 -12.22 43 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 36 7 -2 44 8 -1 9 29 2 10 30 2 11 31 2 12 32 2 13 33 2 14 35 2 37 15 -2 45 16 -2 17 18 2 17 34 1 18 37 1 19 34 2 19 38 1 20 22 1 20 34 1 21 23 1 21 46 1 22 29 1 46 23 -2 24 30 1 39 24 -2 25 31 1 40 25 -2 26 32 1 41 26 -2 27 35 1 38 27 -2 28 33 1 42 28 -2 35 36 1 36 45 1 37 44 1 38 45 1 39 40 1 39 41 1 40 44 1 41 46 1 42 43 1 42 45 1 43 44 1 43 46 1', '46 49 H 14.78 -10.93 C 23.21 -10.11 C 9.21 -7.30 C 11.55 -5.95 C 7.92 -12.24 C 13.46 -16.23 C 14.97 -15.43 C 13.52 -8.81 O 22.00 -7.99 O 7.98 -9.35 O 10.30 -7.97 O 9.14 -10.13 O 12.25 -14.13 O 17.96 -16.36 O 14.17 -7.66 O 16.13 -11.83 C 17.49 -8.91 C 16.16 -8.50 C 18.35 -11.57 C 19.56 -9.41 C 12.73 -13.62 O 20.78 -10.11 O 11.52 -12.92 O 10.39 -9.43 O 12.73 -8.11 O 10.35 -12.25 O 18.31 -13.91 O 14.67 -14.13 C 22.00 -9.41 C 9.21 -8.69 C 11.55 -7.34 C 9.14 -11.54 C 13.46 -14.83 C 18.35 -10.05 C 17.48 -15.04 C 16.13 -14.62 C 14.80 -8.90 C 17.49 -12.78 C 11.57 -10.17 C 12.73 -9.51 C 11.57 -11.55 C 14.67 -12.73 C 13.88 -11.55 C 13.88 -10.17 C 16.13 -13.23 C 12.73 -12.22 43 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 36 7 -2 44 8 -1 9 29 2 10 30 2 11 31 2 12 32 2 13 33 2 14 35 2 37 15 -2 45 16 -2 17 18 2 17 34 1 18 37 1 19 34 2 19 38 1 20 22 1 20 34 1 21 23 1 21 46 1 22 29 1 46 23 -2 24 30 1 39 24 -2 25 31 1 40 25 -2 26 32 1 41 26 -2 27 35 1 38 27 -2 28 33 1 42 28 -2 35 36 1 36 45 1 37 44 1 38 45 1 39 40 1 39 41 1 40 44 1 41 46 1 42 43 1 42 45 1 43 44 1 43 46 1', '46 49 H 14.78 -10.93 C:21 23.21 -10.11 C:21 9.21 -7.30 C:21 11.55 -5.95 C:22 7.92 -12.24 C:21 13.46 -16.23 C:6 14.97 -15.43 C:13 13.52 -8.81 O 22.00 -7.99 O 7.98 -9.35 O 10.30 -7.97 O 9.14 -10.13 O 12.25 -14.13 O 17.96 -16.36 O 14.17 -7.66 O 16.13 -11.83 C:137 17.49 -8.91 C:124 16.16 -8.50 C:125 18.35 -11.57 C:65 19.56 -9.41 C:49 12.73 -13.62 O 20.78 -10.11 O 11.52 -12.92 O 10.39 -9.43 O 12.73 -8.11 O 10.35 -12.25 O 18.31 -13.91 O 14.67 -14.13 C:170 22.00 -9.41 C:170 9.21 -8.69 C:170 11.55 -7.34 C:170 9.14 -11.54 C:170 13.46 -14.83 C:140 18.35 -10.05 C:175 17.48 -15.04 C:44 16.13 -14.62 C:64 14.80 -8.90 C:74 17.49 -12.78 C:67 11.57 -10.17 C:72 12.73 -9.51 C:75 11.57 -11.55 C:79 14.67 -12.73 C:33 13.88 -11.55 C:46 13.88 -10.17 C:82 16.13 -13.23 C:58 12.73 -12.22 43 1 -2 2 29 1 3 30 1 4 31 1 5 32 1 6 33 1 36 7 -2 44 8 -1 9 29 2 10 30 2 11 31 2 12 32 2 13 33 2 14 35 2 37 15 -2 45 16 -2 17 18 2 17 34 1 18 37 1 19 34 2 19 38 1 20 22 1 20 34 1 21 23 1 21 46 1 22 29 1 46 23 -2 24 30 1 39 24 -2 25 31 1 40 25 -2 26 32 1 41 26 -2 27 35 1 38 27 -2 28 33 1 42 28 -2 35 36 1 36 45 1 37 44 1 38 45 1 39 40 1 39 41 1 40 44 1 41 46 1 42 43 1 42 45 1 43 44 1 43 46 1', 'C30H38O15', 638.32, '', 'tt91_3271_8', 851, '', '', '2', 1, NULL, NULL),
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(6478, 'Diacetyl  Deriuatioe ', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH:7]=[C:8]([CH3:17])[C@@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])(O)[C@H:14]([CH2:15]O[C:15001]([CH3:15002])=O)O[C:14001]([CH3:14002])=O)[C@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:19])[CH3:18]', '[H][C@]12CC=C(C)[C@@H](CC[C@](C)(O)[C@H](COC(C)=O)OC(C)=O)[C@]1(C)CCC[C@]2(C)C', '[H][C@:50]12[CH2:24][CH:123]=[C:135]([CH3:22])[C@@H:55]([CH2:20][CH2:41][C@:74]([CH3:24])(O)[C@H:76]([CH2:63]O[C:170]([CH3:21])=O)O[C:171]([CH3:21])=O)[C@:37]1([CH3:14])[CH2:39][CH2:19][CH2:42][C@:33]2([CH3:22])[CH3:33]', '30 31 H 12.55 -16.18 C:15002 21.11 -8.87 C:14002 15.01 -5.32 C:17 16.24 -13.09 C:19 10.36 -16.98 C:18 12.27 -16.99 C:16 14.66 -8.18 C:20 12.55 -12.38 O 19.90 -10.96 O 13.79 -7.41 O 13.66 -9.89 C:7 15.01 -15.23 C:2 10.08 -13.81 C:11 13.78 -11.67 C:6 13.78 -15.94 C:3 10.08 -15.23 C:1 11.31 -13.09 C:12 15.01 -10.96 C:15 17.47 -9.54 O 18.70 -8.86 O 16.24 -7.42 C:15001 19.90 -9.56 C:14001 15.01 -6.72 C:8 15.01 -13.81 C:14 16.24 -8.82 C:9 13.78 -13.09 C:4 11.31 -15.94 C:13 15.01 -9.54 C:5 12.55 -15.23 C:10 12.55 -13.81 29 1 -1 2 22 1 3 23 1 4 24 1 27 5 -2 27 6 -1 28 7 -1 30 8 -2 9 22 2 10 23 2 28 11 -2 12 15 1 12 24 2 13 16 1 13 17 1 14 18 1 26 14 -2 15 29 1 16 27 1 17 30 1 18 28 1 19 20 1 19 25 1 20 22 1 21 23 1 25 21 -1 24 26 1 25 28 1 26 30 1 27 29 1 29 30 1', '30 31 H 12.55 -16.18 C 21.11 -8.87 C 15.01 -5.32 C 16.24 -13.09 C 10.36 -16.98 C 12.27 -16.99 C 14.66 -8.18 C 12.55 -12.38 O 19.90 -10.96 O 13.79 -7.41 O 13.66 -9.89 C 15.01 -15.23 C 10.08 -13.81 C 13.78 -11.67 C 13.78 -15.94 C 10.08 -15.23 C 11.31 -13.09 C 15.01 -10.96 C 17.47 -9.54 O 18.70 -8.86 O 16.24 -7.42 C 19.90 -9.56 C 15.01 -6.72 C 15.01 -13.81 C 16.24 -8.82 C 13.78 -13.09 C 11.31 -15.94 C 15.01 -9.54 C 12.55 -15.23 C 12.55 -13.81 29 1 -1 2 22 1 3 23 1 4 24 1 27 5 -2 27 6 -1 28 7 -1 30 8 -2 9 22 2 10 23 2 28 11 -2 12 15 1 12 24 2 13 16 1 13 17 1 14 18 1 26 14 -2 15 29 1 16 27 1 17 30 1 18 28 1 19 20 1 19 25 1 20 22 1 21 23 1 25 21 -1 24 26 1 25 28 1 26 30 1 27 29 1 29 30 1', '30 31 H 12.55 -16.18 C:21 21.11 -8.87 C:21 15.01 -5.32 C:22 16.24 -13.09 C:22 10.36 -16.98 C:33 12.27 -16.99 C:24 14.66 -8.18 C:14 12.55 -12.38 O 19.90 -10.96 O 13.79 -7.41 O 13.66 -9.89 C:123 15.01 -15.23 C:19 10.08 -13.81 C:20 13.78 -11.67 C:24 13.78 -15.94 C:42 10.08 -15.23 C:39 11.31 -13.09 C:41 15.01 -10.96 C:63 17.47 -9.54 O 18.70 -8.86 O 16.24 -7.42 C:170 19.90 -9.56 C:171 15.01 -6.72 C:135 15.01 -13.81 C:76 16.24 -8.82 C:55 13.78 -13.09 C:33 11.31 -15.94 C:74 15.01 -9.54 C:50 12.55 -15.23 C:37 12.55 -13.81 29 1 -1 2 22 1 3 23 1 4 24 1 27 5 -2 27 6 -1 28 7 -1 30 8 -2 9 22 2 10 23 2 28 11 -2 12 15 1 12 24 2 13 16 1 13 17 1 14 18 1 26 14 -2 15 29 1 16 27 1 17 30 1 18 28 1 19 20 1 19 25 1 20 22 1 21 23 1 25 21 -1 24 26 1 25 28 1 26 30 1 27 29 1 29 30 1', 'C24H40O5', 408.262, 'C', 'ph35_721_3', 1436, '', '', '1', 1, NULL, NULL),
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(6491, '', 'ent-3b,6b,12a-Trihydroxy-13-epi-manoyl oxide ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][C@@H:12](O)[C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@H:6](O)[C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12C[C@@H](O)[C@](C)(C=C)O[C@@]1(C)C[C@H](O)[C@]3([H])[C@](C)(C)[C@H](O)CC[C@@]23C', '[H][C@@:50]12[CH2:24][C@@H:69](O)[C@:75]([CH3:27])([CH:147]=[CH2:111])O[C@@:76]1([CH3:25])[CH2:51][C@H:69](O)[C@:56]3([H])[C@:40]([CH3:28])([CH3:17])[C@H:79](O)[CH2:21][CH2:39][C@@:36]23[CH3:17]', '26 28 H 15.56 -11.80 H 14.32 -13.92 C:15 20.51 -9.31 C:18 14.04 -14.75 C:19 12.11 -14.74 C:16 18.04 -7.93 C:17 16.84 -10.11 C:20 14.32 -10.07 O 10.62 -13.66 O 16.84 -7.24 O 15.56 -15.08 C:14 19.25 -8.63 C:2 11.83 -11.52 C:1 13.07 -10.79 C:11 15.56 -9.35 C:7 16.84 -12.96 O 18.03 -10.79 C:3 11.83 -12.96 C:12 16.84 -8.64 C:6 15.56 -13.68 C:4 13.07 -13.68 C:9 15.56 -10.79 C:13 18.03 -9.35 C:5 14.32 -12.96 C:8 16.84 -11.52 C:10 14.32 -11.52 22 1 -1 24 2 -1 3 12 2 21 4 -1 21 5 -2 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -1 20 11 -2 23 12 -2 13 14 1 13 18 1 14 26 1 15 19 1 15 22 1 16 20 1 16 25 1 17 23 1 17 25 1 18 21 1 19 23 1 20 24 1 21 24 1 22 25 1 22 26 1 24 26 1', '26 28 H 15.56 -11.80 H 14.32 -13.92 C 20.51 -9.31 C 14.04 -14.75 C 12.11 -14.74 C 18.04 -7.93 C 16.84 -10.11 C 14.32 -10.07 O 10.62 -13.66 O 16.84 -7.24 O 15.56 -15.08 C 19.25 -8.63 C 11.83 -11.52 C 13.07 -10.79 C 15.56 -9.35 C 16.84 -12.96 O 18.03 -10.79 C 11.83 -12.96 C 16.84 -8.64 C 15.56 -13.68 C 13.07 -13.68 C 15.56 -10.79 C 18.03 -9.35 C 14.32 -12.96 C 16.84 -11.52 C 14.32 -11.52 22 1 -1 24 2 -1 3 12 2 21 4 -1 21 5 -2 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -1 20 11 -2 23 12 -2 13 14 1 13 18 1 14 26 1 15 19 1 15 22 1 16 20 1 16 25 1 17 23 1 17 25 1 18 21 1 19 23 1 20 24 1 21 24 1 22 25 1 22 26 1 24 26 1', '26 28 H 15.56 -11.80 H 14.32 -13.92 C:111 20.51 -9.31 C:28 14.04 -14.75 C:17 12.11 -14.74 C:27 18.04 -7.93 C:25 16.84 -10.11 C:17 14.32 -10.07 O 10.62 -13.66 O 16.84 -7.24 O 15.56 -15.08 C:147 19.25 -8.63 C:21 11.83 -11.52 C:39 13.07 -10.79 C:24 15.56 -9.35 C:51 16.84 -12.96 O 18.03 -10.79 C:79 11.83 -12.96 C:69 16.84 -8.64 C:69 15.56 -13.68 C:40 13.07 -13.68 C:50 15.56 -10.79 C:75 18.03 -9.35 C:56 14.32 -12.96 C:76 16.84 -11.52 C:36 14.32 -11.52 22 1 -1 24 2 -1 3 12 2 21 4 -1 21 5 -2 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -1 20 11 -2 23 12 -2 13 14 1 13 18 1 14 26 1 15 19 1 15 22 1 16 20 1 16 25 1 17 23 1 17 25 1 18 21 1 19 23 1 20 24 1 21 24 1 22 25 1 22 26 1 24 26 1', 'C20H34O4', 338.227, 'C', 'ph37_741_14', 695, '', '', '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
(6493, '', 'ent-3b-hydroxy-12-0xo-13-epi-manoyl oxide ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C:12](=O)[CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@]1(C)O[C@@](C)(C=C)C(=O)C[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@@]3(C)C', '[H][C@:55]23[CH2:20][CH2:42][C@:75]1([CH3:22])O[C@@:82]([CH3:29])([CH:142]=[CH2:113])[C:211](=O)[CH2:34][C@@:55]1([H])[C@:37]2([CH3:15])[CH2:37][CH2:27][C@@H:79](O)[C@@:39]3([CH3:28])[CH3:16]', '25 27 H 15.50 -14.09 H 16.77 -11.97 C:15 21.70 -9.49 C:18 15.22 -14.92 C:19 13.30 -14.91 C:16 19.23 -8.10 C:17 18.02 -10.28 C:20 15.50 -10.24 O 18.02 -7.41 O 11.81 -13.83 C:14 20.44 -8.80 C:2 13.02 -11.69 C:6 16.74 -13.85 C:1 14.25 -10.96 C:7 18.02 -13.13 C:11 16.74 -9.53 O 19.22 -10.96 C:12 18.02 -8.81 C:3 13.02 -13.13 C:4 14.25 -13.85 C:13 19.22 -9.53 C:5 15.50 -13.13 C:9 16.74 -10.96 C:8 18.02 -11.69 C:10 15.50 -11.69 22 1 -1 23 2 -1 3 11 2 20 4 -1 20 5 -2 21 6 -1 24 7 -2 25 8 -2 9 18 2 19 10 -2 21 11 -2 12 14 1 12 19 1 13 15 1 13 22 1 14 25 1 15 24 1 16 18 1 16 23 1 17 21 1 17 24 1 18 21 1 19 20 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 15.50 -14.09 H 16.77 -11.97 C 21.70 -9.49 C 15.22 -14.92 C 13.30 -14.91 C 19.23 -8.10 C 18.02 -10.28 C 15.50 -10.24 O 18.02 -7.41 O 11.81 -13.83 C 20.44 -8.80 C 13.02 -11.69 C 16.74 -13.85 C 14.25 -10.96 C 18.02 -13.13 C 16.74 -9.53 O 19.22 -10.96 C 18.02 -8.81 C 13.02 -13.13 C 14.25 -13.85 C 19.22 -9.53 C 15.50 -13.13 C 16.74 -10.96 C 18.02 -11.69 C 15.50 -11.69 22 1 -1 23 2 -1 3 11 2 20 4 -1 20 5 -2 21 6 -1 24 7 -2 25 8 -2 9 18 2 19 10 -2 21 11 -2 12 14 1 12 19 1 13 15 1 13 22 1 14 25 1 15 24 1 16 18 1 16 23 1 17 21 1 17 24 1 18 21 1 19 20 1 20 22 1 22 25 1 23 24 1 23 25 1', '25 27 H 15.50 -14.09 H 16.77 -11.97 C:113 21.70 -9.49 C:28 15.22 -14.92 C:16 13.30 -14.91 C:29 19.23 -8.10 C:22 18.02 -10.28 C:15 15.50 -10.24 O 18.02 -7.41 O 11.81 -13.83 C:142 20.44 -8.80 C:27 13.02 -11.69 C:20 16.74 -13.85 C:37 14.25 -10.96 C:42 18.02 -13.13 C:34 16.74 -9.53 O 19.22 -10.96 C:211 18.02 -8.81 C:79 13.02 -13.13 C:39 14.25 -13.85 C:82 19.22 -9.53 C:55 15.50 -13.13 C:55 16.74 -10.96 C:75 18.02 -11.69 C:37 15.50 -11.69 22 1 -1 23 2 -1 3 11 2 20 4 -1 20 5 -2 21 6 -1 24 7 -2 25 8 -2 9 18 2 19 10 -2 21 11 -2 12 14 1 12 19 1 13 15 1 13 22 1 14 25 1 15 24 1 16 18 1 16 23 1 17 21 1 17 24 1 18 21 1 19 20 1 20 22 1 22 25 1 23 24 1 23 25 1', 'C20H32O3', 320.228, 'C', 'ph37_741_16', 695, '', '', '1', 1, NULL, NULL),
(6494, '', 'ent-3b,6b-Dihydroxy-12-oxo-l3-epi-manoyl oxide ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][C:12](=O)[C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@H:6](O)[C@:5]3([H])[C@:4]([CH3:18])([CH3:19])[C@H:3](O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC(=O)[C@](C)(C=C)O[C@@]1(C)C[C@H](O)[C@]3([H])[C@](C)(C)[C@H](O)CC[C@@]23C', '[H][C@@:55]12[CH2:34][C:212](=O)[C@:82]([CH3:29])([CH:142]=[CH2:113])O[C@@:75]1([CH3:24])[CH2:50][C@H:68](O)[C@:56]3([H])[C@:40]([CH3:22])([CH3:17])[C@H:79](O)[CH2:27][CH2:39][C@@:36]23[CH3:16]', '26 28 H 15.59 -11.80 H 14.32 -13.92 C:15 20.53 -9.32 C:18 14.04 -14.75 C:19 12.12 -14.74 C:16 18.05 -7.93 C:17 16.84 -10.11 C:20 14.32 -10.07 O 16.84 -7.24 O 10.63 -13.66 O 15.56 -15.08 C:14 19.27 -8.63 C:2 11.84 -11.52 C:1 13.07 -10.79 C:11 15.56 -9.36 C:7 16.84 -12.96 O 18.04 -10.79 C:12 16.84 -8.64 C:3 11.84 -12.96 C:6 15.56 -13.68 C:4 13.07 -13.68 C:13 18.04 -9.36 C:9 15.56 -10.79 C:8 16.84 -11.52 C:5 14.32 -12.96 C:10 14.32 -11.52 23 1 -1 25 2 -1 3 12 2 21 4 -1 21 5 -2 22 6 -1 24 7 -2 26 8 -2 9 18 2 19 10 -2 20 11 -2 22 12 -2 13 14 1 13 19 1 14 26 1 15 18 1 15 23 1 16 20 1 16 24 1 17 22 1 17 24 1 18 22 1 19 21 1 20 25 1 21 25 1 23 24 1 23 26 1 25 26 1', '26 28 H 15.59 -11.80 H 14.32 -13.92 C 20.53 -9.32 C 14.04 -14.75 C 12.12 -14.74 C 18.05 -7.93 C 16.84 -10.11 C 14.32 -10.07 O 16.84 -7.24 O 10.63 -13.66 O 15.56 -15.08 C 19.27 -8.63 C 11.84 -11.52 C 13.07 -10.79 C 15.56 -9.36 C 16.84 -12.96 O 18.04 -10.79 C 16.84 -8.64 C 11.84 -12.96 C 15.56 -13.68 C 13.07 -13.68 C 18.04 -9.36 C 15.56 -10.79 C 16.84 -11.52 C 14.32 -12.96 C 14.32 -11.52 23 1 -1 25 2 -1 3 12 2 21 4 -1 21 5 -2 22 6 -1 24 7 -2 26 8 -2 9 18 2 19 10 -2 20 11 -2 22 12 -2 13 14 1 13 19 1 14 26 1 15 18 1 15 23 1 16 20 1 16 24 1 17 22 1 17 24 1 18 22 1 19 21 1 20 25 1 21 25 1 23 24 1 23 26 1 25 26 1', '26 28 H 15.59 -11.80 H 14.32 -13.92 C:113 20.53 -9.32 C:22 14.04 -14.75 C:17 12.12 -14.74 C:29 18.05 -7.93 C:24 16.84 -10.11 C:16 14.32 -10.07 O 16.84 -7.24 O 10.63 -13.66 O 15.56 -15.08 C:142 19.27 -8.63 C:27 11.84 -11.52 C:39 13.07 -10.79 C:34 15.56 -9.36 C:50 16.84 -12.96 O 18.04 -10.79 C:212 16.84 -8.64 C:79 11.84 -12.96 C:68 15.56 -13.68 C:40 13.07 -13.68 C:82 18.04 -9.36 C:55 15.56 -10.79 C:75 16.84 -11.52 C:56 14.32 -12.96 C:36 14.32 -11.52 23 1 -1 25 2 -1 3 12 2 21 4 -1 21 5 -2 22 6 -1 24 7 -2 26 8 -2 9 18 2 19 10 -2 20 11 -2 22 12 -2 13 14 1 13 19 1 14 26 1 15 18 1 15 23 1 16 20 1 16 24 1 17 22 1 17 24 1 18 22 1 19 21 1 20 25 1 21 25 1 23 24 1 23 26 1 25 26 1', 'C20H32O4', 336.227, 'C', 'ph37_741_17', 695, '', '', '1', 1, NULL, NULL),
(6495, '', 'ent-3b-acetoxy-12b-bydroxy-13epi-manoyl oxide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C@@H:12](O)[CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@]1(C)O[C@@](C)(C=C)[C@@H](O)C[C@@]1([H])[C@]2(C)CC[C@@H](OC(C)=O)[C@@]3(C)C', '[H][C@:55]23[CH2:20][CH2:42][C@:76]1([CH3:26])O[C@@:76]([CH3:28])([CH:140]=[CH2:117])[C@@H:72](O)[CH2:25][C@@:58]1([H])[C@:37]2([CH3:16])[CH2:37][CH2:24][C@@H:81](O[C:171]([CH3:21])=O)[C@@:38]3([CH3:28])[CH3:16]', '28 30 H 15.55 -14.08 H 16.82 -11.96 C:15 21.76 -9.49 C:3002 9.43 -13.82 C:18 15.27 -14.91 C:19 13.35 -14.90 C:16 19.28 -8.10 C:17 18.07 -10.28 C:20 15.55 -10.24 O 10.66 -11.72 O 18.07 -7.41 C:14 20.50 -8.80 C:2 13.07 -11.69 C:1 14.30 -10.96 C:6 16.79 -13.84 C:7 18.07 -13.12 C:11 16.79 -9.53 O 11.86 -13.82 O 19.27 -10.96 C:3001 10.65 -13.12 C:12 18.07 -8.81 C:3 13.07 -13.12 C:4 14.30 -13.84 C:5 15.55 -13.12 C:9 16.79 -10.96 C:13 19.27 -9.53 C:8 18.07 -11.69 C:10 15.55 -11.69 24 1 -1 25 2 -1 3 12 2 4 20 1 23 5 -1 23 6 -2 26 7 -1 27 8 -2 28 9 -2 10 20 2 21 11 -2 26 12 -2 13 14 1 13 22 1 14 28 1 15 16 1 15 24 1 16 27 1 17 21 1 17 25 1 18 20 1 22 18 -2 19 26 1 19 27 1 21 26 1 22 23 1 23 24 1 24 28 1 25 27 1 25 28 1', '28 30 H 15.55 -14.08 H 16.82 -11.96 C 21.76 -9.49 C 9.43 -13.82 C 15.27 -14.91 C 13.35 -14.90 C 19.28 -8.10 C 18.07 -10.28 C 15.55 -10.24 O 10.66 -11.72 O 18.07 -7.41 C 20.50 -8.80 C 13.07 -11.69 C 14.30 -10.96 C 16.79 -13.84 C 18.07 -13.12 C 16.79 -9.53 O 11.86 -13.82 O 19.27 -10.96 C 10.65 -13.12 C 18.07 -8.81 C 13.07 -13.12 C 14.30 -13.84 C 15.55 -13.12 C 16.79 -10.96 C 19.27 -9.53 C 18.07 -11.69 C 15.55 -11.69 24 1 -1 25 2 -1 3 12 2 4 20 1 23 5 -1 23 6 -2 26 7 -1 27 8 -2 28 9 -2 10 20 2 21 11 -2 26 12 -2 13 14 1 13 22 1 14 28 1 15 16 1 15 24 1 16 27 1 17 21 1 17 25 1 18 20 1 22 18 -2 19 26 1 19 27 1 21 26 1 22 23 1 23 24 1 24 28 1 25 27 1 25 28 1', '28 30 H 15.55 -14.08 H 16.82 -11.96 C:117 21.76 -9.49 C:21 9.43 -13.82 C:28 15.27 -14.91 C:16 13.35 -14.90 C:28 19.28 -8.10 C:26 18.07 -10.28 C:16 15.55 -10.24 O 10.66 -11.72 O 18.07 -7.41 C:140 20.50 -8.80 C:24 13.07 -11.69 C:37 14.30 -10.96 C:20 16.79 -13.84 C:42 18.07 -13.12 C:25 16.79 -9.53 O 11.86 -13.82 O 19.27 -10.96 C:171 10.65 -13.12 C:72 18.07 -8.81 C:81 13.07 -13.12 C:38 14.30 -13.84 C:55 15.55 -13.12 C:58 16.79 -10.96 C:76 19.27 -9.53 C:76 18.07 -11.69 C:37 15.55 -11.69 24 1 -1 25 2 -1 3 12 2 4 20 1 23 5 -1 23 6 -2 26 7 -1 27 8 -2 28 9 -2 10 20 2 21 11 -2 26 12 -2 13 14 1 13 22 1 14 28 1 15 16 1 15 24 1 16 27 1 17 21 1 17 25 1 18 20 1 22 18 -2 19 26 1 19 27 1 21 26 1 22 23 1 23 24 1 24 28 1 25 27 1 25 28 1', 'C22H36O4', 364.249, 'C', 'ph37_741_18', 695, '', '', '1', 1, NULL, NULL),
(6496, '', 'ent-3b,6b,12b-Trihydroxy-l3-epi-manoyl oxide ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:9]12[CH2:11][C@H:12](O)[C@:13]([CH3:16])([CH:14]=[CH2:15])O[C@@:8]1([CH3:17])[CH2:7][C@H:6](O)[C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12C[C@H](O)[C@](C)(C=C)O[C@@]1(C)C[C@H](O)[C@]3([H])[C@@](C)(C)[C@H](O)CC[C@@]23C', '[H][C@@:58]12[CH2:25][C@H:78](O)[C@:75]([CH3:28])([CH:141]=[CH2:117])O[C@@:76]1([CH3:26])[CH2:50][C@H:69](O)[C@:56]3([H])[C@@:40]([CH3:17])([CH3:28])[C@H:79](O)[CH2:27][CH2:40][C@@:37]23[CH3:18]', '26 28 H 15.60 -11.80 H 14.33 -13.92 C:15 20.55 -9.33 C:19 12.13 -14.74 C:18 14.05 -14.75 C:16 18.06 -7.94 C:17 16.85 -10.12 C:20 14.33 -10.08 O 10.64 -13.66 O 16.85 -7.25 O 15.57 -15.09 C:14 19.29 -8.64 C:2 11.85 -11.53 C:1 13.08 -10.80 C:11 15.57 -9.37 C:7 16.85 -12.96 O 18.05 -10.80 C:3 11.85 -12.96 C:12 16.85 -8.65 C:6 15.57 -13.68 C:4 13.08 -13.68 C:9 15.57 -10.80 C:13 18.05 -9.37 C:5 14.33 -12.96 C:8 16.85 -11.53 C:10 14.33 -11.53 22 1 -1 24 2 -1 3 12 2 21 4 -2 21 5 -1 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -2 23 12 -2 13 14 1 13 18 1 14 26 1 15 19 1 15 22 1 16 20 1 16 25 1 17 23 1 17 25 1 18 21 1 19 23 1 20 24 1 21 24 1 22 25 1 22 26 1 24 26 1', '26 28 H 15.60 -11.80 H 14.33 -13.92 C 20.55 -9.33 C 12.13 -14.74 C 14.05 -14.75 C 18.06 -7.94 C 16.85 -10.12 C 14.33 -10.08 O 10.64 -13.66 O 16.85 -7.25 O 15.57 -15.09 C 19.29 -8.64 C 11.85 -11.53 C 13.08 -10.80 C 15.57 -9.37 C 16.85 -12.96 O 18.05 -10.80 C 11.85 -12.96 C 16.85 -8.65 C 15.57 -13.68 C 13.08 -13.68 C 15.57 -10.80 C 18.05 -9.37 C 14.33 -12.96 C 16.85 -11.53 C 14.33 -11.53 22 1 -1 24 2 -1 3 12 2 21 4 -2 21 5 -1 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -2 23 12 -2 13 14 1 13 18 1 14 26 1 15 19 1 15 22 1 16 20 1 16 25 1 17 23 1 17 25 1 18 21 1 19 23 1 20 24 1 21 24 1 22 25 1 22 26 1 24 26 1', '26 28 H 15.60 -11.80 H 14.33 -13.92 C:117 20.55 -9.33 C:17 12.13 -14.74 C:28 14.05 -14.75 C:28 18.06 -7.94 C:26 16.85 -10.12 C:18 14.33 -10.08 O 10.64 -13.66 O 16.85 -7.25 O 15.57 -15.09 C:141 19.29 -8.64 C:27 11.85 -11.53 C:40 13.08 -10.80 C:25 15.57 -9.37 C:50 16.85 -12.96 O 18.05 -10.80 C:79 11.85 -12.96 C:78 16.85 -8.65 C:69 15.57 -13.68 C:40 13.08 -13.68 C:58 15.57 -10.80 C:75 18.05 -9.37 C:56 14.33 -12.96 C:76 16.85 -11.53 C:37 14.33 -11.53 22 1 -1 24 2 -1 3 12 2 21 4 -2 21 5 -1 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -2 23 12 -2 13 14 1 13 18 1 14 26 1 15 19 1 15 22 1 16 20 1 16 25 1 17 23 1 17 25 1 18 21 1 19 23 1 20 24 1 21 24 1 22 25 1 22 26 1 24 26 1', 'C20H34O4', 338.227, 'C', 'ph37_741_20', 695, '', '', '1', 1, NULL, NULL),
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(6509, 'Imbricatolic acid', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@H:13]([CH3:16])[CH2:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O', '[H][C@@]12CCC(=C)[C@H](CC[C@@H](C)CCO)[C@@]1(C)CCC[C@]2(C)C(=O)O', '[H][C@@:56]12[CH2:26][CH2:39][C:148](=[CH2:106])[C@H:57]([CH2:21][CH2:36][C@@H:30]([CH3:20])[CH2:40][CH2:61]O)[C@@:41]1([CH3:13])[CH2:39][CH2:20][CH2:38][C@:44]2([CH3:29])[C:183](=O)O', '24 25 H 14.91 -14.80 C:17 18.60 -11.74 C:16 16.13 -7.45 C:18 14.63 -15.61 C:20 14.91 -11.00 O 11.36 -15.30 O 19.80 -5.34 O 13.15 -16.94 C:15 18.59 -6.05 C:2 12.45 -12.43 C:7 17.38 -13.85 C:14 18.60 -7.45 C:12 17.38 -9.58 C:11 16.13 -10.28 C:3 12.45 -13.85 C:1 13.68 -11.71 C:6 16.13 -14.56 C:8 17.38 -12.43 C:19 12.73 -15.60 C:13 17.38 -8.16 C:9 16.13 -11.71 C:5 14.91 -13.85 C:4 13.68 -14.56 C:10 14.91 -12.43 22 1 -2 2 18 2 20 3 -1 23 4 -2 24 5 -1 6 19 2 7 9 1 8 19 1 9 12 1 10 15 1 10 16 1 11 17 1 11 18 1 12 20 1 13 14 1 13 20 1 21 14 -1 15 23 1 16 24 1 17 22 1 18 21 1 23 19 -1 21 24 1 22 23 1 22 24 1', '24 25 H 14.91 -14.80 C 18.60 -11.74 C 16.13 -7.45 C 14.63 -15.61 C 14.91 -11.00 O 11.36 -15.30 O 19.80 -5.34 O 13.15 -16.94 C 18.59 -6.05 C 12.45 -12.43 C 17.38 -13.85 C 18.60 -7.45 C 17.38 -9.58 C 16.13 -10.28 C 12.45 -13.85 C 13.68 -11.71 C 16.13 -14.56 C 17.38 -12.43 C 12.73 -15.60 C 17.38 -8.16 C 16.13 -11.71 C 14.91 -13.85 C 13.68 -14.56 C 14.91 -12.43 22 1 -2 2 18 2 20 3 -1 23 4 -2 24 5 -1 6 19 2 7 9 1 8 19 1 9 12 1 10 15 1 10 16 1 11 17 1 11 18 1 12 20 1 13 14 1 13 20 1 21 14 -1 15 23 1 16 24 1 17 22 1 18 21 1 23 19 -1 21 24 1 22 23 1 22 24 1', '24 25 H 14.91 -14.80 C:106 18.60 -11.74 C:20 16.13 -7.45 C:29 14.63 -15.61 C:13 14.91 -11.00 O 11.36 -15.30 O 19.80 -5.34 O 13.15 -16.94 C:61 18.59 -6.05 C:20 12.45 -12.43 C:39 17.38 -13.85 C:40 18.60 -7.45 C:36 17.38 -9.58 C:21 16.13 -10.28 C:38 12.45 -13.85 C:39 13.68 -11.71 C:26 16.13 -14.56 C:148 17.38 -12.43 C:183 12.73 -15.60 C:30 17.38 -8.16 C:57 16.13 -11.71 C:56 14.91 -13.85 C:44 13.68 -14.56 C:41 14.91 -12.43 22 1 -2 2 18 2 20 3 -1 23 4 -2 24 5 -1 6 19 2 7 9 1 8 19 1 9 12 1 10 15 1 10 16 1 11 17 1 11 18 1 12 20 1 13 14 1 13 20 1 21 14 -1 15 23 1 16 24 1 17 22 1 18 21 1 23 19 -1 21 24 1 22 23 1 22 24 1', 'C20H34O3', 322.22, 'C', 'ph37_1109_1', 2119, '', '', '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
(6510, 'lmbricatolic acid methyl  ester ', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@H:13]([CH3:16])[CH2:14][CH2:15]O)[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[C:19](=O)O[CH3:19001]', '[H][C@@]12CCC(=C)[C@H](CC[C@@H](C)CCO)[C@@]1(C)CCC[C@]2(C)C(=O)OC', '[H][C@@:56]12[CH2:26][CH2:39][C:148](=[CH2:106])[C@H:57]([CH2:21][CH2:36][C@@H:30]([CH3:20])[CH2:40][CH2:61]O)[C@@:40]1([CH3:13])[CH2:39][CH2:20][CH2:38][C@:44]2([CH3:29])[C:178](=O)O[CH3:51]', '25 26 H 15.36 -14.80 C:17 19.05 -11.74 C:19001 10.87 -16.33 C:16 16.58 -7.45 C:18 15.08 -15.61 C:20 15.36 -11.00 O 13.60 -16.94 O 20.25 -5.34 C:15 19.04 -6.05 C:2 12.90 -12.43 C:7 17.83 -13.85 C:14 19.05 -7.45 C:12 17.83 -9.58 C:11 16.58 -10.28 C:3 12.90 -13.85 C:1 14.13 -11.71 C:6 16.58 -14.56 O 11.81 -15.30 C:8 17.83 -12.43 C:19 13.18 -15.60 C:13 17.83 -8.16 C:9 16.58 -11.71 C:5 15.36 -13.85 C:4 14.13 -14.56 C:10 15.36 -12.43 23 1 -2 2 19 2 3 18 1 21 4 -1 24 5 -2 25 6 -1 7 20 2 8 9 1 9 12 1 10 15 1 10 16 1 11 17 1 11 19 1 12 21 1 13 14 1 13 21 1 22 14 -1 15 24 1 16 25 1 17 23 1 18 20 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 15.36 -14.80 C 19.05 -11.74 C 10.87 -16.33 C 16.58 -7.45 C 15.08 -15.61 C 15.36 -11.00 O 13.60 -16.94 O 20.25 -5.34 C 19.04 -6.05 C 12.90 -12.43 C 17.83 -13.85 C 19.05 -7.45 C 17.83 -9.58 C 16.58 -10.28 C 12.90 -13.85 C 14.13 -11.71 C 16.58 -14.56 O 11.81 -15.30 C 17.83 -12.43 C 13.18 -15.60 C 17.83 -8.16 C 16.58 -11.71 C 15.36 -13.85 C 14.13 -14.56 C 15.36 -12.43 23 1 -2 2 19 2 3 18 1 21 4 -1 24 5 -2 25 6 -1 7 20 2 8 9 1 9 12 1 10 15 1 10 16 1 11 17 1 11 19 1 12 21 1 13 14 1 13 21 1 22 14 -1 15 24 1 16 25 1 17 23 1 18 20 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', '25 26 H 15.36 -14.80 C:106 19.05 -11.74 C:51 10.87 -16.33 C:20 16.58 -7.45 C:29 15.08 -15.61 C:13 15.36 -11.00 O 13.60 -16.94 O 20.25 -5.34 C:61 19.04 -6.05 C:20 12.90 -12.43 C:39 17.83 -13.85 C:40 19.05 -7.45 C:36 17.83 -9.58 C:21 16.58 -10.28 C:38 12.90 -13.85 C:39 14.13 -11.71 C:26 16.58 -14.56 O 11.81 -15.30 C:148 17.83 -12.43 C:178 13.18 -15.60 C:30 17.83 -8.16 C:57 16.58 -11.71 C:56 15.36 -13.85 C:44 14.13 -14.56 C:40 15.36 -12.43 23 1 -2 2 19 2 3 18 1 21 4 -1 24 5 -2 25 6 -1 7 20 2 8 9 1 9 12 1 10 15 1 10 16 1 11 17 1 11 19 1 12 21 1 13 14 1 13 21 1 22 14 -1 15 24 1 16 25 1 17 23 1 18 20 1 19 22 1 24 20 -1 22 25 1 23 24 1 23 25 1', 'C21H36O3', 336.231, 'C', 'ph37_1109_2', 2119, '', '', '1', 1, NULL, NULL),
(6513, '13-Epitorulosol', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O', '[H][C@@]12CCC(=C)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)CO', '[H][C@@:56]12[CH2:24][CH2:39][C:148](=[CH2:107])[C@H:57]([CH2:18][CH2:41][C@@:74]([CH3:27])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:15])[CH2:39][CH2:19][CH2:35][C@:39]2([CH3:28])[CH2:65]O', '23 24 H 15.49 -15.14 C:15 19.17 -6.39 C:17 19.18 -12.05 C:16 16.72 -7.79 C:18 15.21 -15.95 C:20 15.49 -11.34 O 11.94 -15.64 O 16.75 -9.21 C:14 19.18 -7.79 C:19 13.31 -15.94 C:2 13.03 -12.77 C:7 17.96 -14.19 C:11 16.72 -10.62 C:3 13.03 -14.19 C:1 14.26 -12.05 C:12 17.96 -9.92 C:6 16.72 -14.90 C:8 17.96 -12.77 C:9 16.72 -12.05 C:13 17.96 -8.50 C:5 15.49 -14.19 C:4 14.26 -14.90 C:10 15.49 -12.77 21 1 -2 2 9 2 3 18 2 20 4 -2 22 5 -2 23 6 -1 7 10 1 20 8 -1 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -1 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', '23 24 H 15.49 -15.14 C 19.17 -6.39 C 19.18 -12.05 C 16.72 -7.79 C 15.21 -15.95 C 15.49 -11.34 O 11.94 -15.64 O 16.75 -9.21 C 19.18 -7.79 C 13.31 -15.94 C 13.03 -12.77 C 17.96 -14.19 C 16.72 -10.62 C 13.03 -14.19 C 14.26 -12.05 C 17.96 -9.92 C 16.72 -14.90 C 17.96 -12.77 C 16.72 -12.05 C 17.96 -8.50 C 15.49 -14.19 C 14.26 -14.90 C 15.49 -12.77 21 1 -2 2 9 2 3 18 2 20 4 -2 22 5 -2 23 6 -1 7 10 1 20 8 -1 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -1 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', '23 24 H 15.49 -15.14 C:112 19.17 -6.39 C:107 19.18 -12.05 C:27 16.72 -7.79 C:28 15.21 -15.95 C:15 15.49 -11.34 O 11.94 -15.64 O 16.75 -9.21 C:145 19.18 -7.79 C:65 13.31 -15.94 C:19 13.03 -12.77 C:39 17.96 -14.19 C:18 16.72 -10.62 C:35 13.03 -14.19 C:39 14.26 -12.05 C:41 17.96 -9.92 C:24 16.72 -14.90 C:148 17.96 -12.77 C:57 16.72 -12.05 C:74 17.96 -8.50 C:56 15.49 -14.19 C:39 14.26 -14.90 C:40 15.49 -12.77 21 1 -2 2 9 2 3 18 2 20 4 -2 22 5 -2 23 6 -1 7 10 1 20 8 -1 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -1 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', 'C20H34O2', 306.221, 'C', 'ph37_1109_7', 2119, '', '', '1', 1, NULL, NULL),
(6514, '', '19-Acetoxy-13S-hydroxylabda-8(17),14-diene ', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O', '[H][C@@]12CCC(=C)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)COC(C)=O', '[H][C@@:56]12[CH2:25][CH2:39][C:148](=[CH2:107])[C@H:57]([CH2:18][CH2:41][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:62])[CH2:39][CH2:19][CH2:36][C@:37]2([CH3:28])[CH2:67]O[C:171]([CH3:21])=O', '26 27 H 16.67 -14.08 C:15 20.35 -5.33 C:17 20.36 -10.99 C:19002 10.82 -15.32 C:16 17.90 -6.73 C:18 16.39 -14.90 C:20 16.67 -10.28 O 12.60 -16.96 O 17.93 -8.15 C:14 20.35 -6.73 C:2 14.21 -11.71 C:7 19.14 -13.13 C:11 17.90 -9.56 C:3 14.21 -13.13 C:1 15.44 -10.99 C:12 19.14 -8.86 C:6 17.90 -13.84 C:19 14.49 -14.89 O 13.12 -14.58 C:19001 12.18 -15.62 C:8 19.14 -11.71 C:9 17.90 -10.99 C:13 19.14 -7.44 C:5 16.67 -13.13 C:4 15.44 -13.84 C:10 16.67 -11.71 24 1 -2 2 10 2 3 21 2 4 20 1 23 5 -2 25 6 -2 26 7 -1 8 20 2 23 9 -1 10 23 1 11 14 1 11 15 1 12 17 1 12 21 1 13 16 1 22 13 -1 14 25 1 15 26 1 16 23 1 17 24 1 18 19 1 25 18 -1 19 20 1 21 22 1 22 26 1 24 25 1 24 26 1', '26 27 H 16.67 -14.08 C 20.35 -5.33 C 20.36 -10.99 C 10.82 -15.32 C 17.90 -6.73 C 16.39 -14.90 C 16.67 -10.28 O 12.60 -16.96 O 17.93 -8.15 C 20.35 -6.73 C 14.21 -11.71 C 19.14 -13.13 C 17.90 -9.56 C 14.21 -13.13 C 15.44 -10.99 C 19.14 -8.86 C 17.90 -13.84 C 14.49 -14.89 O 13.12 -14.58 C 12.18 -15.62 C 19.14 -11.71 C 17.90 -10.99 C 19.14 -7.44 C 16.67 -13.13 C 15.44 -13.84 C 16.67 -11.71 24 1 -2 2 10 2 3 21 2 4 20 1 23 5 -2 25 6 -2 26 7 -1 8 20 2 23 9 -1 10 23 1 11 14 1 11 15 1 12 17 1 12 21 1 13 16 1 22 13 -1 14 25 1 15 26 1 16 23 1 17 24 1 18 19 1 25 18 -1 19 20 1 21 22 1 22 26 1 24 25 1 24 26 1', '26 27 H 16.67 -14.08 C:112 20.35 -5.33 C:107 20.36 -10.99 C:21 10.82 -15.32 C:28 17.90 -6.73 C:28 16.39 -14.90 C:62 16.67 -10.28 O 12.60 -16.96 O 17.93 -8.15 C:145 20.35 -6.73 C:19 14.21 -11.71 C:39 19.14 -13.13 C:18 17.90 -9.56 C:36 14.21 -13.13 C:39 15.44 -10.99 C:41 19.14 -8.86 C:25 17.90 -13.84 C:67 14.49 -14.89 O 13.12 -14.58 C:171 12.18 -15.62 C:148 19.14 -11.71 C:57 17.90 -10.99 C:74 19.14 -7.44 C:56 16.67 -13.13 C:37 15.44 -13.84 C:40 16.67 -11.71 24 1 -2 2 10 2 3 21 2 4 20 1 23 5 -2 25 6 -2 26 7 -1 8 20 2 23 9 -1 10 23 1 11 14 1 11 15 1 12 17 1 12 21 1 13 16 1 22 13 -1 14 25 1 15 26 1 16 23 1 17 24 1 18 19 1 25 18 -1 19 20 1 21 22 1 22 26 1 24 25 1 24 26 1', 'C22H36O3', 348.242, 'C', 'ph37_1109_8', 2119, '', '', '1', 1, NULL, NULL),
(6515, '13-Epitorulosal', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH:19]=O', '[H][C@@]12CCC(=C)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)C=O', '[H][C@@:56]12[CH2:24][CH2:38][C:148](=[CH2:107])[C@H:56]([CH2:18][CH2:41][C@@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:14])[CH2:34][CH2:19][CH2:38][C@:49]2([CH3:24])[CH:206]=O', '23 24 H 15.50 -15.13 C:15 19.18 -6.38 C:17 19.19 -12.04 C:16 16.73 -7.78 C:18 15.22 -15.95 C:20 15.50 -11.33 O 11.95 -15.63 O 16.76 -9.20 C:14 19.18 -7.78 C:19 13.32 -15.94 C:2 13.04 -12.76 C:7 17.97 -14.18 C:11 16.73 -10.61 C:3 13.04 -14.18 C:1 14.27 -12.04 C:12 17.97 -9.91 C:6 16.73 -14.89 C:8 17.97 -12.76 C:9 16.73 -12.04 C:13 17.97 -8.49 C:5 15.50 -14.18 C:4 14.27 -14.89 C:10 15.50 -12.76 21 1 -2 2 9 2 3 18 2 20 4 -2 22 5 -2 23 6 -1 7 10 2 20 8 -1 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -1 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', '23 24 H 15.50 -15.13 C 19.18 -6.38 C 19.19 -12.04 C 16.73 -7.78 C 15.22 -15.95 C 15.50 -11.33 O 11.95 -15.63 O 16.76 -9.20 C 19.18 -7.78 C 13.32 -15.94 C 13.04 -12.76 C 17.97 -14.18 C 16.73 -10.61 C 13.04 -14.18 C 14.27 -12.04 C 17.97 -9.91 C 16.73 -14.89 C 17.97 -12.76 C 16.73 -12.04 C 17.97 -8.49 C 15.50 -14.18 C 14.27 -14.89 C 15.50 -12.76 21 1 -2 2 9 2 3 18 2 20 4 -2 22 5 -2 23 6 -1 7 10 2 20 8 -1 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -1 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', '23 24 H 15.50 -15.13 C:112 19.18 -6.38 C:107 19.19 -12.04 C:28 16.73 -7.78 C:24 15.22 -15.95 C:14 15.50 -11.33 O 11.95 -15.63 O 16.76 -9.20 C:145 19.18 -7.78 C:206 13.32 -15.94 C:19 13.04 -12.76 C:38 17.97 -14.18 C:18 16.73 -10.61 C:38 13.04 -14.18 C:34 14.27 -12.04 C:41 17.97 -9.91 C:24 16.73 -14.89 C:148 17.97 -12.76 C:56 16.73 -12.04 C:74 17.97 -8.49 C:56 15.50 -14.18 C:49 14.27 -14.89 C:40 15.50 -12.76 21 1 -2 2 9 2 3 18 2 20 4 -2 22 5 -2 23 6 -1 7 10 2 20 8 -1 9 20 1 22 10 -1 11 14 1 11 15 1 12 17 1 12 18 1 13 16 1 19 13 -1 14 22 1 15 23 1 16 20 1 17 21 1 18 19 1 19 23 1 21 22 1 21 23 1', 'C20H32O2', 304.221, 'C', 'ph37_1109_9', 2119, '', '', '1', 1, NULL, NULL),
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(6531, '(+)-3beta-Acetoxymanool ', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]2([CH3:19])[CH3:18]', '[H][C@@]12CCC(=C)[C@H](CC[C@](C)(O)C=C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)C', '[H][C@@:55]12[CH2:24][CH2:38][C:148](=[CH2:107])[C@H:57]([CH2:18][CH2:41][C@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:39]1([CH3:15])[CH2:37][CH2:24][C@H:81](O[C:171]([CH3:21])=O)[C@@:38]2([CH3:17])[CH3:28]', '26 27 H 16.74 -15.11 C:15 20.44 -6.34 C:17 20.44 -12.02 C:3002 10.64 -14.86 C:16 18.87 -7.10 C:19 14.56 -15.91 C:18 16.46 -15.92 C:20 16.74 -11.31 O 11.87 -12.76 O 17.87 -8.81 C:14 20.44 -7.74 C:7 19.22 -14.16 C:2 14.28 -12.74 C:11 17.98 -10.58 C:6 17.98 -14.87 C:12 19.22 -9.87 C:1 15.51 -12.02 O 13.07 -14.86 C:3001 11.86 -14.16 C:8 19.22 -12.74 C:3 14.28 -14.16 C:9 17.98 -12.02 C:13 19.22 -8.45 C:4 15.51 -14.87 C:5 16.74 -14.16 C:10 16.74 -12.74 25 1 -2 2 11 2 3 20 2 4 19 1 23 5 -1 24 6 -1 24 7 -2 26 8 -1 9 19 2 23 10 -2 11 23 1 12 15 1 12 20 1 13 17 1 13 21 1 14 16 1 22 14 -1 15 25 1 16 23 1 17 26 1 18 19 1 21 18 -1 20 22 1 21 24 1 22 26 1 24 25 1 25 26 1', '26 27 H 16.74 -15.11 C 20.44 -6.34 C 20.44 -12.02 C 10.64 -14.86 C 18.87 -7.10 C 14.56 -15.91 C 16.46 -15.92 C 16.74 -11.31 O 11.87 -12.76 O 17.87 -8.81 C 20.44 -7.74 C 19.22 -14.16 C 14.28 -12.74 C 17.98 -10.58 C 17.98 -14.87 C 19.22 -9.87 C 15.51 -12.02 O 13.07 -14.86 C 11.86 -14.16 C 19.22 -12.74 C 14.28 -14.16 C 17.98 -12.02 C 19.22 -8.45 C 15.51 -14.87 C 16.74 -14.16 C 16.74 -12.74 25 1 -2 2 11 2 3 20 2 4 19 1 23 5 -1 24 6 -1 24 7 -2 26 8 -1 9 19 2 23 10 -2 11 23 1 12 15 1 12 20 1 13 17 1 13 21 1 14 16 1 22 14 -1 15 25 1 16 23 1 17 26 1 18 19 1 21 18 -1 20 22 1 21 24 1 22 26 1 24 25 1 25 26 1', '26 27 H 16.74 -15.11 C:112 20.44 -6.34 C:107 20.44 -12.02 C:21 10.64 -14.86 C:28 18.87 -7.10 C:17 14.56 -15.91 C:28 16.46 -15.92 C:15 16.74 -11.31 O 11.87 -12.76 O 17.87 -8.81 C:145 20.44 -7.74 C:38 19.22 -14.16 C:24 14.28 -12.74 C:18 17.98 -10.58 C:24 17.98 -14.87 C:41 19.22 -9.87 C:37 15.51 -12.02 O 13.07 -14.86 C:171 11.86 -14.16 C:148 19.22 -12.74 C:81 14.28 -14.16 C:57 17.98 -12.02 C:74 19.22 -8.45 C:38 15.51 -14.87 C:55 16.74 -14.16 C:39 16.74 -12.74 25 1 -2 2 11 2 3 20 2 4 19 1 23 5 -1 24 6 -1 24 7 -2 26 8 -1 9 19 2 23 10 -2 11 23 1 12 15 1 12 20 1 13 17 1 13 21 1 14 16 1 22 14 -1 15 25 1 16 23 1 17 26 1 18 19 1 21 18 -1 20 22 1 21 24 1 22 26 1 24 25 1 25 26 1', 'C22H36O3', 348.242, 'C', 'ph38_451_5', 1365, '', '', '1', 1, NULL, NULL),
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(6533, '( +)-18-Tigloyloxymanool', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@H:9]([CH2:11][CH2:12][C@:13]([CH3:16])(O)[CH:14]=[CH2:15])[C@@:10]1([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]2([CH3:18])[CH2:19]O[C:19001](=O)[C:19002]([CH3:19201])=[CH:19003][CH3:19004]', '[H][C@@]12CCC(=C)[C@H](CC[C@](C)(O)C=C)[C@@]1(C)CCC[C@]2(C)COC(=O)C(C)=CC', '[H][C@@:56]12[CH2:25][CH2:39][C:148](=[CH2:107])[C@H:57]([CH2:18][CH2:41][C@:74]([CH3:28])(O)[CH:145]=[CH2:112])[C@@:40]1([CH3:15])[CH2:39][CH2:19][CH2:37][C@:38]2([CH3:67])[CH2:28]O[C:169](=O)[C:129]([CH3:12])=[CH:137][CH3:14]', '29 30 H 17.53 -14.10 C:15 21.23 -5.35 C:17 21.23 -11.02 C:19004 9.88 -13.74 C:19201 10.75 -16.40 C:16 19.65 -6.10 C:18 17.25 -14.93 C:20 17.53 -10.31 O 13.48 -16.99 O 18.65 -7.83 C:14 21.23 -6.75 C:19003 11.25 -14.04 C:2 15.07 -11.74 C:7 20.01 -13.15 C:11 18.76 -9.58 C:3 15.07 -13.15 C:1 16.30 -11.02 C:6 18.76 -13.87 C:12 20.01 -8.89 C:19 15.35 -14.92 O 13.98 -14.63 C:8 20.01 -11.74 C:19002 11.67 -15.36 C:19001 13.04 -15.66 C:9 18.76 -11.02 C:13 20.01 -7.46 C:5 17.53 -13.15 C:4 16.30 -13.87 C:10 17.53 -11.74 27 1 -2 2 11 2 3 22 2 4 12 1 5 23 1 26 6 -1 28 7 -2 29 8 -1 9 24 2 26 10 -2 11 26 1 12 23 2 13 16 1 13 17 1 14 18 1 14 22 1 15 19 1 25 15 -1 16 28 1 17 29 1 18 27 1 19 26 1 20 21 1 28 20 -1 21 24 1 22 25 1 23 24 1 25 29 1 27 28 1 27 29 1', '29 30 H 17.53 -14.10 C 21.23 -5.35 C 21.23 -11.02 C 9.88 -13.74 C 10.75 -16.40 C 19.65 -6.10 C 17.25 -14.93 C 17.53 -10.31 O 13.48 -16.99 O 18.65 -7.83 C 21.23 -6.75 C 11.25 -14.04 C 15.07 -11.74 C 20.01 -13.15 C 18.76 -9.58 C 15.07 -13.15 C 16.30 -11.02 C 18.76 -13.87 C 20.01 -8.89 C 15.35 -14.92 O 13.98 -14.63 C 20.01 -11.74 C 11.67 -15.36 C 13.04 -15.66 C 18.76 -11.02 C 20.01 -7.46 C 17.53 -13.15 C 16.30 -13.87 C 17.53 -11.74 27 1 -2 2 11 2 3 22 2 4 12 1 5 23 1 26 6 -1 28 7 -2 29 8 -1 9 24 2 26 10 -2 11 26 1 12 23 2 13 16 1 13 17 1 14 18 1 14 22 1 15 19 1 25 15 -1 16 28 1 17 29 1 18 27 1 19 26 1 20 21 1 28 20 -1 21 24 1 22 25 1 23 24 1 25 29 1 27 28 1 27 29 1', '29 30 H 17.53 -14.10 C:112 21.23 -5.35 C:107 21.23 -11.02 C:14 9.88 -13.74 C:12 10.75 -16.40 C:28 19.65 -6.10 C:67 17.25 -14.93 C:15 17.53 -10.31 O 13.48 -16.99 O 18.65 -7.83 C:145 21.23 -6.75 C:137 11.25 -14.04 C:19 15.07 -11.74 C:39 20.01 -13.15 C:18 18.76 -9.58 C:37 15.07 -13.15 C:39 16.30 -11.02 C:25 18.76 -13.87 C:41 20.01 -8.89 C:28 15.35 -14.92 O 13.98 -14.63 C:148 20.01 -11.74 C:129 11.67 -15.36 C:169 13.04 -15.66 C:57 18.76 -11.02 C:74 20.01 -7.46 C:56 17.53 -13.15 C:38 16.30 -13.87 C:40 17.53 -11.74 27 1 -2 2 11 2 3 22 2 4 12 1 5 23 1 26 6 -1 28 7 -2 29 8 -1 9 24 2 26 10 -2 11 26 1 12 23 2 13 16 1 13 17 1 14 18 1 14 22 1 15 19 1 25 15 -1 16 28 1 17 29 1 18 27 1 19 26 1 20 21 1 28 20 -1 21 24 1 22 25 1 23 24 1 25 29 1 27 28 1 27 29 1', 'C25H40O3', 388.274, 'C', 'ph38_451_7', 1365, '', '', '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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(6551, 'ent-11a-hydroxy-3,12-dioxo-13-epi-manoyl oxide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C:12](=O)[C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]3([CH3:19])[CH3:18]', '[H][C@]23CC[C@]1(C)O[C@@](C)(C=C)C(=O)[C@H](O)[C@@]1([H])[C@]2(C)CCC(=O)[C@]3(C)C', '[H][C@:55]23[CH2:21][CH2:42][C@:77]1([CH3:21])O[C@@:82]([CH3:28])([CH:143]=[CH2:113])[C:211](=O)[C@H:72](O)[C@@:61]1([H])[C@:39]2([CH3:15])[CH2:40][CH2:34][C:217](=O)[C@:48]3([CH3:21])[CH3:27]', '26 28 H 14.32 -14.09 H 15.59 -11.97 C:15 20.52 -9.49 C:19 12.12 -14.91 C:18 14.04 -14.92 C:16 18.05 -8.10 C:17 16.84 -10.28 C:20 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 14.34 -8.85 C:14 19.26 -8.80 C:2 11.84 -11.69 C:6 15.56 -13.85 C:7 16.84 -13.13 C:1 13.07 -10.96 O 18.04 -10.96 C:3 11.84 -13.13 C:12 16.84 -8.81 C:11 15.56 -9.53 C:4 13.07 -13.85 C:13 18.04 -9.53 C:5 14.32 -13.13 C:8 16.84 -11.69 C:9 15.56 -10.96 C:10 14.32 -11.69 23 1 -1 25 2 -1 3 12 2 21 4 -2 21 5 -1 22 6 -1 24 7 -2 26 8 -2 9 18 2 10 19 2 20 11 -1 22 12 -2 13 16 1 13 18 1 14 15 1 14 23 1 15 24 1 16 26 1 17 22 1 17 24 1 18 21 1 19 20 1 19 22 1 20 25 1 21 23 1 23 26 1 24 25 1 25 26 1', '26 28 H 14.32 -14.09 H 15.59 -11.97 C 20.52 -9.49 C 12.12 -14.91 C 14.04 -14.92 C 18.05 -8.10 C 16.84 -10.28 C 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 14.34 -8.85 C 19.26 -8.80 C 11.84 -11.69 C 15.56 -13.85 C 16.84 -13.13 C 13.07 -10.96 O 18.04 -10.96 C 11.84 -13.13 C 16.84 -8.81 C 15.56 -9.53 C 13.07 -13.85 C 18.04 -9.53 C 14.32 -13.13 C 16.84 -11.69 C 15.56 -10.96 C 14.32 -11.69 23 1 -1 25 2 -1 3 12 2 21 4 -2 21 5 -1 22 6 -1 24 7 -2 26 8 -2 9 18 2 10 19 2 20 11 -1 22 12 -2 13 16 1 13 18 1 14 15 1 14 23 1 15 24 1 16 26 1 17 22 1 17 24 1 18 21 1 19 20 1 19 22 1 20 25 1 21 23 1 23 26 1 24 25 1 25 26 1', '26 28 H 14.32 -14.09 H 15.59 -11.97 C:113 20.52 -9.49 C:21 12.12 -14.91 C:27 14.04 -14.92 C:28 18.05 -8.10 C:21 16.84 -10.28 C:15 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 14.34 -8.85 C:143 19.26 -8.80 C:34 11.84 -11.69 C:21 15.56 -13.85 C:42 16.84 -13.13 C:40 13.07 -10.96 O 18.04 -10.96 C:217 11.84 -13.13 C:211 16.84 -8.81 C:72 15.56 -9.53 C:48 13.07 -13.85 C:82 18.04 -9.53 C:55 14.32 -13.13 C:77 16.84 -11.69 C:61 15.56 -10.96 C:39 14.32 -11.69 23 1 -1 25 2 -1 3 12 2 21 4 -2 21 5 -1 22 6 -1 24 7 -2 26 8 -2 9 18 2 10 19 2 20 11 -1 22 12 -2 13 16 1 13 18 1 14 15 1 14 23 1 15 24 1 16 26 1 17 22 1 17 24 1 18 21 1 19 20 1 19 22 1 20 25 1 21 23 1 23 26 1 24 25 1 25 26 1', 'C20H30O4', 334.227, 'C', 'ph38_1237_14', 692, '', '', '1', 1, NULL, NULL),
(6552, 'ent-7b,11a-Dihydroxy-3,12-dioxo-13-epi-manoyl oxide ', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][C@@H:7](O)[C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C:12](=O)[C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]3([CH3:19])[CH3:18]', '[H][C@]23C[C@@H](O)[C@]1(C)O[C@@](C)(C=C)C(=O)[C@H](O)[C@@]1([H])[C@]2(C)CCC(=O)[C@]3(C)C', '[H][C@:52]23[CH2:28][C@@H:79](O)[C@:80]1([CH3:17])O[C@@:83]([CH3:28])([CH:142]=[CH2:114])[C:210](=O)[C@H:72](O)[C@@:60]1([H])[C@:39]2([CH3:16])[CH2:39][CH2:34][C:217](=O)[C@:47]3([CH3:21])[CH3:27]', '27 29 H 14.32 -14.09 H 15.59 -11.97 C:15 20.52 -9.49 C:19 12.12 -14.91 C:18 14.04 -14.92 C:16 18.05 -8.10 C:20 14.32 -10.24 C:17 16.84 -10.28 O 10.63 -13.83 O 16.84 -7.41 O 18.06 -13.82 O 14.33 -8.85 C:14 19.26 -8.80 C:2 11.84 -11.69 C:1 13.07 -10.96 C:6 15.56 -13.85 O 18.04 -10.96 C:3 11.84 -13.13 C:12 16.84 -8.81 C:7 16.84 -13.13 C:11 15.56 -9.53 C:4 13.07 -13.85 C:13 18.04 -9.53 C:5 14.32 -13.13 C:9 15.56 -10.96 C:10 14.32 -11.69 C:8 16.84 -11.69 24 1 -1 25 2 -1 3 13 2 22 4 -2 22 5 -1 23 6 -1 26 7 -2 27 8 -2 9 18 2 10 19 2 20 11 -2 21 12 -1 23 13 -2 14 15 1 14 18 1 15 26 1 16 20 1 16 24 1 17 23 1 17 27 1 18 22 1 19 21 1 19 23 1 20 27 1 21 25 1 22 24 1 24 26 1 25 26 1 25 27 1', '27 29 H 14.32 -14.09 H 15.59 -11.97 C 20.52 -9.49 C 12.12 -14.91 C 14.04 -14.92 C 18.05 -8.10 C 14.32 -10.24 C 16.84 -10.28 O 10.63 -13.83 O 16.84 -7.41 O 18.06 -13.82 O 14.33 -8.85 C 19.26 -8.80 C 11.84 -11.69 C 13.07 -10.96 C 15.56 -13.85 O 18.04 -10.96 C 11.84 -13.13 C 16.84 -8.81 C 16.84 -13.13 C 15.56 -9.53 C 13.07 -13.85 C 18.04 -9.53 C 14.32 -13.13 C 15.56 -10.96 C 14.32 -11.69 C 16.84 -11.69 24 1 -1 25 2 -1 3 13 2 22 4 -2 22 5 -1 23 6 -1 26 7 -2 27 8 -2 9 18 2 10 19 2 20 11 -2 21 12 -1 23 13 -2 14 15 1 14 18 1 15 26 1 16 20 1 16 24 1 17 23 1 17 27 1 18 22 1 19 21 1 19 23 1 20 27 1 21 25 1 22 24 1 24 26 1 25 26 1 25 27 1', '27 29 H 14.32 -14.09 H 15.59 -11.97 C:114 20.52 -9.49 C:21 12.12 -14.91 C:27 14.04 -14.92 C:28 18.05 -8.10 C:16 14.32 -10.24 C:17 16.84 -10.28 O 10.63 -13.83 O 16.84 -7.41 O 18.06 -13.82 O 14.33 -8.85 C:142 19.26 -8.80 C:34 11.84 -11.69 C:39 13.07 -10.96 C:28 15.56 -13.85 O 18.04 -10.96 C:217 11.84 -13.13 C:210 16.84 -8.81 C:79 16.84 -13.13 C:72 15.56 -9.53 C:47 13.07 -13.85 C:83 18.04 -9.53 C:52 14.32 -13.13 C:60 15.56 -10.96 C:39 14.32 -11.69 C:80 16.84 -11.69 24 1 -1 25 2 -1 3 13 2 22 4 -2 22 5 -1 23 6 -1 26 7 -2 27 8 -2 9 18 2 10 19 2 20 11 -2 21 12 -1 23 13 -2 14 15 1 14 18 1 15 26 1 16 20 1 16 24 1 17 23 1 17 27 1 18 22 1 19 21 1 19 23 1 20 27 1 21 25 1 22 24 1 24 26 1 25 26 1 25 27 1', 'C20H30O5', 350.227, 'C', 'ph38_1237_15', 692, '', '', '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
(6553, 'ent-1b-Hydroxy-3,12-dioxo-13-epi-manoyl oxide ', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C:12](=O)[CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C:3](=O)[C@:4]3([CH3:19])[CH3:18]', '[H][C@]23CC[C@]1(C)O[C@@](C)(C=C)C(=O)C[C@@]1([H])[C@]2(C)[C@@H](O)CC(=O)[C@]3(C)C', '[H][C@:51]23[CH2:20][CH2:41][C@:9999]1([CH3:22])O[C@@:82]([CH3:29])([CH:142]=[CH2:113])[C:212](=O)[CH2:37][C@@:54]1([H])[C@:42]2([CH3:10])[C@@H:78](O)[CH2:45][C:214](=O)[C@:47]3([CH3:21])[CH3:27]', '26 28 H 13.70 -14.09 H 14.97 -11.97 C:15 19.90 -9.49 C:19 11.50 -14.91 C:18 13.42 -14.92 C:16 17.43 -8.10 C:17 16.22 -10.28 C:20 13.70 -10.24 O 10.01 -13.84 O 16.22 -7.41 O 12.43 -9.56 C:14 18.64 -8.80 C:6 14.94 -13.85 C:7 16.22 -13.13 C:2 11.22 -11.69 C:11 14.94 -9.53 O 17.42 -10.96 C:3 11.22 -13.13 C:12 16.22 -8.81 C:1 12.45 -10.96 C:4 12.45 -13.85 C:13 17.42 -9.53 C:5 13.70 -13.13 C:9 14.94 -10.96 C:8 16.22 -11.69 C:10 13.70 -11.69 23 1 -1 24 2 -1 3 12 2 21 4 -2 21 5 -1 22 6 -1 25 7 -2 26 8 -2 9 18 2 10 19 2 20 11 -2 22 12 -2 13 14 1 13 23 1 14 25 1 15 18 1 15 20 1 16 19 1 16 24 1 17 22 1 17 25 1 18 21 1 19 22 1 20 26 1 21 23 1 23 26 1 24 25 1 24 26 1', '26 28 H 13.70 -14.09 H 14.97 -11.97 C 19.90 -9.49 C 11.50 -14.91 C 13.42 -14.92 C 17.43 -8.10 C 16.22 -10.28 C 13.70 -10.24 O 10.01 -13.84 O 16.22 -7.41 O 12.43 -9.56 C 18.64 -8.80 C 14.94 -13.85 C 16.22 -13.13 C 11.22 -11.69 C 14.94 -9.53 O 17.42 -10.96 C 11.22 -13.13 C 16.22 -8.81 C 12.45 -10.96 C 12.45 -13.85 C 17.42 -9.53 C 13.70 -13.13 C 14.94 -10.96 C 16.22 -11.69 C 13.70 -11.69 23 1 -1 24 2 -1 3 12 2 21 4 -2 21 5 -1 22 6 -1 25 7 -2 26 8 -2 9 18 2 10 19 2 20 11 -2 22 12 -2 13 14 1 13 23 1 14 25 1 15 18 1 15 20 1 16 19 1 16 24 1 17 22 1 17 25 1 18 21 1 19 22 1 20 26 1 21 23 1 23 26 1 24 25 1 24 26 1', '26 28 H 13.70 -14.09 H 14.97 -11.97 C:113 19.90 -9.49 C:21 11.50 -14.91 C:27 13.42 -14.92 C:29 17.43 -8.10 C:22 16.22 -10.28 C:10 13.70 -10.24 O 10.01 -13.84 O 16.22 -7.41 O 12.43 -9.56 C:142 18.64 -8.80 C:20 14.94 -13.85 C:41 16.22 -13.13 C:45 11.22 -11.69 C:37 14.94 -9.53 O 17.42 -10.96 C:214 11.22 -13.13 C:212 16.22 -8.81 C:78 12.45 -10.96 C:47 12.45 -13.85 C:82 17.42 -9.53 C:51 13.70 -13.13 C:54 14.94 -10.96 C 16.22 -11.69 C:42 13.70 -11.69 23 1 -1 24 2 -1 3 12 2 21 4 -2 21 5 -1 22 6 -1 25 7 -2 26 8 -2 9 18 2 10 19 2 20 11 -2 22 12 -2 13 14 1 13 23 1 14 25 1 15 18 1 15 20 1 16 19 1 16 24 1 17 22 1 17 25 1 18 21 1 19 22 1 20 26 1 21 23 1 23 26 1 24 25 1 24 26 1', 'C20H30O4', 334.227, 'C', 'ph38_1237_16', 692, '', '', '1', 1, NULL, NULL),
(6554, 'ent-3b,11a,12b-trihydroxy-13-epi-manoyl oxide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C@@H:12](O)[C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@]1(C)O[C@@](C)(C=C)[C@@H](O)[C@H](O)[C@@]1([H])[C@]2(C)CC[C@@H](O)[C@@]3(C)C', '[H][C@:55]23[CH2:20][CH2:43][C@:9999]1([CH3:27])O[C@@:9999]([CH3:29])([CH:141]=[CH2:117])[C@@H:83](O)[C@H:70](O)[C@@:61]1([H])[C@:39]2([CH3:17])[CH2:40][CH2:28][C@@H:79](O)[C@@:39]3([CH3:28])[CH3:15]', '26 28 H 14.32 -14.09 H 15.59 -11.97 C:15 20.52 -9.49 C:18 14.04 -14.92 C:19 12.12 -14.91 C:16 18.05 -8.10 C:17 16.84 -10.28 C:20 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 14.34 -8.85 C:14 19.26 -8.80 C:2 11.84 -11.69 C:6 15.56 -13.85 C:1 13.07 -10.96 C:7 16.84 -13.13 O 18.04 -10.96 C:3 11.84 -13.13 C:12 16.84 -8.81 C:11 15.56 -9.53 C:4 13.07 -13.85 C:5 14.32 -13.13 C:13 18.04 -9.53 C:9 15.56 -10.96 C:8 16.84 -11.69 C:10 14.32 -11.69 22 1 -1 24 2 -1 3 12 2 21 4 -1 21 5 -2 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -1 23 12 -2 13 15 1 13 18 1 14 16 1 14 22 1 15 26 1 16 25 1 17 23 1 17 25 1 18 21 1 19 20 1 19 23 1 20 24 1 21 22 1 22 26 1 24 25 1 24 26 1', '26 28 H 14.32 -14.09 H 15.59 -11.97 C 20.52 -9.49 C 14.04 -14.92 C 12.12 -14.91 C 18.05 -8.10 C 16.84 -10.28 C 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 14.34 -8.85 C 19.26 -8.80 C 11.84 -11.69 C 15.56 -13.85 C 13.07 -10.96 C 16.84 -13.13 O 18.04 -10.96 C 11.84 -13.13 C 16.84 -8.81 C 15.56 -9.53 C 13.07 -13.85 C 14.32 -13.13 C 18.04 -9.53 C 15.56 -10.96 C 16.84 -11.69 C 14.32 -11.69 22 1 -1 24 2 -1 3 12 2 21 4 -1 21 5 -2 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -1 23 12 -2 13 15 1 13 18 1 14 16 1 14 22 1 15 26 1 16 25 1 17 23 1 17 25 1 18 21 1 19 20 1 19 23 1 20 24 1 21 22 1 22 26 1 24 25 1 24 26 1', '26 28 H 14.32 -14.09 H 15.59 -11.97 C:117 20.52 -9.49 C:28 14.04 -14.92 C:15 12.12 -14.91 C:29 18.05 -8.10 C:27 16.84 -10.28 C:17 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 14.34 -8.85 C:141 19.26 -8.80 C:28 11.84 -11.69 C:20 15.56 -13.85 C:40 13.07 -10.96 C:43 16.84 -13.13 O 18.04 -10.96 C:79 11.84 -13.13 C:83 16.84 -8.81 C:70 15.56 -9.53 C:39 13.07 -13.85 C:55 14.32 -13.13 C 18.04 -9.53 C:61 15.56 -10.96 C 16.84 -11.69 C:39 14.32 -11.69 22 1 -1 24 2 -1 3 12 2 21 4 -1 21 5 -2 23 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -1 23 12 -2 13 15 1 13 18 1 14 16 1 14 22 1 15 26 1 16 25 1 17 23 1 17 25 1 18 21 1 19 20 1 19 23 1 20 24 1 21 22 1 22 26 1 24 25 1 24 26 1', 'C20H34O4', 338.227, 'C', 'ph38_1237_19', 692, '', '', '1', 1, NULL, NULL),
(6555, 'ent-1b,3b,12b-trihydroxy-13-epi-manoyl oxide', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]23[CH2:6][CH2:7][C@:8]1([CH3:17])O[C@@:13]([CH3:16])([CH:14]=[CH2:15])[C@@H:12](O)[CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[C@@H:1](O)[CH2:2][C@@H:3](O)[C@@:4]3([CH3:18])[CH3:19]', '[H][C@]23CC[C@]1(C)O[C@@](C)(C=C)[C@@H](O)C[C@@]1([H])[C@]2(C)[C@@H](O)C[C@@H](O)[C@@]3(C)C', '[H][C@:53]23[CH2:19][CH2:42][C@:76]1([CH3:26])O[C@@:76]([CH3:28])([CH:141]=[CH2:117])[C@@H:78](O)[CH2:28][C@@:58]1([H])[C@:43]2([CH3:12])[C@@H:77](O)[CH2:38][C@@H:76](O)[C@@:39]3([CH3:28])[CH3:15]', '26 28 H 14.32 -14.09 H 15.59 -11.97 C:15 20.52 -9.49 C:18 14.04 -14.92 C:19 12.12 -14.91 C:16 18.05 -8.10 C:17 16.84 -10.28 C:20 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 13.05 -9.56 C:14 19.26 -8.80 C:6 15.56 -13.85 C:7 16.84 -13.13 C:2 11.84 -11.69 C:11 15.56 -9.53 O 18.04 -10.96 C:3 11.84 -13.13 C:12 16.84 -8.81 C:1 13.07 -10.96 C:4 13.07 -13.85 C:5 14.32 -13.13 C:9 15.56 -10.96 C:13 18.04 -9.53 C:8 16.84 -11.69 C:10 14.32 -11.69 22 1 -1 23 2 -1 3 12 2 21 4 -1 21 5 -2 24 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -2 24 12 -2 13 14 1 13 22 1 14 25 1 15 18 1 15 20 1 16 19 1 16 23 1 17 24 1 17 25 1 18 21 1 19 24 1 20 26 1 21 22 1 22 26 1 23 25 1 23 26 1', '26 28 H 14.32 -14.09 H 15.59 -11.97 C 20.52 -9.49 C 14.04 -14.92 C 12.12 -14.91 C 18.05 -8.10 C 16.84 -10.28 C 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 13.05 -9.56 C 19.26 -8.80 C 15.56 -13.85 C 16.84 -13.13 C 11.84 -11.69 C 15.56 -9.53 O 18.04 -10.96 C 11.84 -13.13 C 16.84 -8.81 C 13.07 -10.96 C 13.07 -13.85 C 14.32 -13.13 C 15.56 -10.96 C 18.04 -9.53 C 16.84 -11.69 C 14.32 -11.69 22 1 -1 23 2 -1 3 12 2 21 4 -1 21 5 -2 24 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -2 24 12 -2 13 14 1 13 22 1 14 25 1 15 18 1 15 20 1 16 19 1 16 23 1 17 24 1 17 25 1 18 21 1 19 24 1 20 26 1 21 22 1 22 26 1 23 25 1 23 26 1', '26 28 H 14.32 -14.09 H 15.59 -11.97 C:117 20.52 -9.49 C:28 14.04 -14.92 C:15 12.12 -14.91 C:28 18.05 -8.10 C:26 16.84 -10.28 C:12 14.32 -10.24 O 10.63 -13.83 O 16.84 -7.41 O 13.05 -9.56 C:141 19.26 -8.80 C:19 15.56 -13.85 C:42 16.84 -13.13 C:38 11.84 -11.69 C:28 15.56 -9.53 O 18.04 -10.96 C:76 11.84 -13.13 C:78 16.84 -8.81 C:77 13.07 -10.96 C:39 13.07 -13.85 C:53 14.32 -13.13 C:58 15.56 -10.96 C:76 18.04 -9.53 C:76 16.84 -11.69 C:43 14.32 -11.69 22 1 -1 23 2 -1 3 12 2 21 4 -1 21 5 -2 24 6 -1 25 7 -2 26 8 -2 18 9 -2 19 10 -2 20 11 -2 24 12 -2 13 14 1 13 22 1 14 25 1 15 18 1 15 20 1 16 19 1 16 23 1 17 24 1 17 25 1 18 21 1 19 24 1 20 26 1 21 22 1 22 26 1 23 25 1 23 26 1', 'C20H34O4', 338.227, 'C', 'ph38_1237_20', 692, '', '', '1', 1, NULL, NULL),
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