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
(6048, 'Galphimine E', '', 'Terpenoids', 'Triterpenoids', 'Friedelanes', '[H][C@@:10]12[CH:1]=[CH:2][C:3](=O)O[CH2:24][C@:5]1([CH:4]([CH3:23])O)[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@@:8]3([H])[C@@:9]2([CH3:25])[CH2:11][CH2:12][C@:13]5([C:27](=O)O[CH3:27001])[C@:14]3([CH3:26])[CH2:15][CH2:16][C@@:17]4([CH3:28])[CH2:22][CH:21]=[C:20]([CH3:29])[CH2:19][C@:18]45O', '[H][C@@]12C=CC(=O)OC[C@]1(C(C)O)[C@@H](OC(C)=O)C[C@@]3([H])[C@@]2(C)CC[C@]5(C(=O)OC)[C@]3(C)CC[C@@]4(C)CC=C(C)C[C@]45O', '[H][C@@:52]12[CH:145]=[CH:124][C:169](=O)O[CH2:69][C@:52]1([CH:64]([CH3:18])O)[C@@H:70](O[C:170]([CH3:21])=O)[CH2:65][C@@:53]3([H])[C@@:39]2([CH3:21])[CH2:40][CH2:23][C@:58]5([C:175](=O)O[CH3:51])[C@:42]3([CH3:22])[CH2:29][CH2:32][C@@:37]4([CH3:27])[CH2:39][CH:119]=[C:132]([CH3:23])[CH2:40][C@:77]45O', '42 46 H 14.09 -10.64 H 16.54 -10.64 C:27001 16.55 -5.65 C:6002 16.65 -16.93 C:29 20.19 -5.33 C:23 15.07 -15.76 C:28 20.20 -8.14 C:25 15.32 -12.40 C:26 17.76 -12.40 O 17.76 -14.73 O 9.67 -12.39 O 18.88 -6.92 O 12.90 -15.47 O 18.99 -10.23 C:2 11.64 -11.14 C:21 21.44 -7.41 C:1 13.01 -10.82 C:22 21.44 -8.85 C:16 20.20 -10.96 C:15 18.99 -11.68 C:11 15.32 -9.56 C:12 16.54 -8.85 C:24 13.01 -13.93 C:19 18.99 -7.41 C:7 16.54 -13.09 O 16.55 -7.04 O 11.64 -13.62 O 15.32 -15.00 C:6001 16.65 -15.53 C:20 20.20 -6.71 C:3 11.04 -12.39 C:27 17.76 -7.73 C:4 14.09 -14.78 C:6 15.32 -13.79 C:17 20.20 -9.56 C:10 14.09 -11.68 C:8 16.54 -11.68 C:9 15.32 -10.96 C:14 17.76 -10.96 C:18 18.99 -8.85 C:5 14.09 -13.09 C:13 17.76 -9.56 36 1 -2 37 2 -2 3 26 1 4 29 1 5 30 1 6 33 1 35 7 -1 38 8 -1 39 9 -1 10 29 2 11 31 2 12 32 2 13 33 1 40 14 -1 15 17 2 15 31 1 16 18 1 16 30 2 17 36 1 18 35 1 19 20 1 19 35 1 20 39 1 21 22 1 21 38 1 22 42 1 23 27 1 23 41 1 24 30 1 24 40 1 25 34 1 25 37 1 26 32 1 27 31 1 28 29 1 34 28 -2 42 32 -2 41 33 -2 34 41 1 35 40 1 36 38 1 36 41 1 37 38 1 37 39 1 39 42 1 40 42 1', '42 46 H 14.09 -10.64 H 16.54 -10.64 C 16.55 -5.65 C 16.65 -16.93 C 20.19 -5.33 C 15.07 -15.76 C 20.20 -8.14 C 15.32 -12.40 C 17.76 -12.40 O 17.76 -14.73 O 9.67 -12.39 O 18.88 -6.92 O 12.90 -15.47 O 18.99 -10.23 C 11.64 -11.14 C 21.44 -7.41 C 13.01 -10.82 C 21.44 -8.85 C 20.20 -10.96 C 18.99 -11.68 C 15.32 -9.56 C 16.54 -8.85 C 13.01 -13.93 C 18.99 -7.41 C 16.54 -13.09 O 16.55 -7.04 O 11.64 -13.62 O 15.32 -15.00 C 16.65 -15.53 C 20.20 -6.71 C 11.04 -12.39 C 17.76 -7.73 C 14.09 -14.78 C 15.32 -13.79 C 20.20 -9.56 C 14.09 -11.68 C 16.54 -11.68 C 15.32 -10.96 C 17.76 -10.96 C 18.99 -8.85 C 14.09 -13.09 C 17.76 -9.56 36 1 -2 37 2 -2 3 26 1 4 29 1 5 30 1 6 33 1 35 7 -1 38 8 -1 39 9 -1 10 29 2 11 31 2 12 32 2 13 33 1 40 14 -1 15 17 2 15 31 1 16 18 1 16 30 2 17 36 1 18 35 1 19 20 1 19 35 1 20 39 1 21 22 1 21 38 1 22 42 1 23 27 1 23 41 1 24 30 1 24 40 1 25 34 1 25 37 1 26 32 1 27 31 1 28 29 1 34 28 -2 42 32 -2 41 33 -2 34 41 1 35 40 1 36 38 1 36 41 1 37 38 1 37 39 1 39 42 1 40 42 1', '42 46 H 14.09 -10.64 H 16.54 -10.64 C:51 16.55 -5.65 C:21 16.65 -16.93 C:23 20.19 -5.33 C:18 15.07 -15.76 C:27 20.20 -8.14 C:21 15.32 -12.40 C:22 17.76 -12.40 O 17.76 -14.73 O 9.67 -12.39 O 18.88 -6.92 O 12.90 -15.47 O 18.99 -10.23 C:124 11.64 -11.14 C:119 21.44 -7.41 C:145 13.01 -10.82 C:39 21.44 -8.85 C:32 20.20 -10.96 C:29 18.99 -11.68 C:40 15.32 -9.56 C:23 16.54 -8.85 C:69 13.01 -13.93 C:40 18.99 -7.41 C:65 16.54 -13.09 O 16.55 -7.04 O 11.64 -13.62 O 15.32 -15.00 C:170 16.65 -15.53 C:132 20.20 -6.71 C:169 11.04 -12.39 C:175 17.76 -7.73 C:64 14.09 -14.78 C:70 15.32 -13.79 C:37 20.20 -9.56 C:52 14.09 -11.68 C:53 16.54 -11.68 C:39 15.32 -10.96 C:42 17.76 -10.96 C:77 18.99 -8.85 C:52 14.09 -13.09 C:58 17.76 -9.56 36 1 -2 37 2 -2 3 26 1 4 29 1 5 30 1 6 33 1 35 7 -1 38 8 -1 39 9 -1 10 29 2 11 31 2 12 32 2 13 33 1 40 14 -1 15 17 2 15 31 1 16 18 1 16 30 2 17 36 1 18 35 1 19 20 1 19 35 1 20 39 1 21 22 1 21 38 1 22 42 1 23 27 1 23 41 1 24 30 1 24 40 1 25 34 1 25 37 1 26 32 1 27 31 1 28 29 1 34 28 -2 42 32 -2 41 33 -2 34 41 1 35 40 1 36 38 1 36 41 1 37 38 1 37 39 1 39 42 1 40 42 1', 'C32H46O8', 558.353, 'C', 'np04_644_2', 304, '', '', '1', 1, NULL, NULL),
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(6061, 'Nigellamine A3', '', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@:11]14[C:12](=[C:18]([CH3:20])[CH3:19])[CH2:13][CH2:14][C@:1]1([CH2:15]O[C:15001](=O)[CH2:15002][CH2:15003][CH2:15004][CH2:15005][CH3:15006])[C@@H:2](O[C:2001](=O)[c:2002]2[cH:2006][cH:2005][cH:2004]n[cH:2003]2)[CH:3]=[C:4]([CH3:16])[CH2:5][CH2:6][C@@H:7]3O[C@@:8]3([CH3:17])[CH2:9][C@H:10]4O[C:10001](=O)[c:10002]5[cH:10006][cH:10005][cH:10004]n[cH:10003]5', '[H][C@]14C(=C(C)C)CC[C@]1(COC(=O)CCCCC)[C@@H](OC(=O)c2cccnc2)C=C(C)CC[C@@H]3O[C@@]3(C)C[C@H]4OC(=O)c5cccnc5', '[H][C@:48]14[C:136](=[C:127]([CH3:22])[CH3:23])[CH2:28][CH2:31][C@:56]1([CH2:66]O[C:174](=O)[CH2:35][CH2:25][CH2:31][CH2:22][CH3:14])[C@@H:74](O[C:165](=O)[c:126]2[cH:137][cH:123][cH:154]n[cH:151]2)[CH:123]=[C:140]([CH3:16])[CH2:38][CH2:23][C@@H:65]3O[C@@:59]3([CH3:18])[CH2:42][C@H:75]4O[C:164](=O)[c:126]5[cH:137][cH:124][cH:154]n[cH:151]5', '48 52 H 15.52 -9.65 C:15006 21.39 -18.90 C:20 16.77 -8.12 C:19 18.77 -9.55 C:16 10.73 -14.55 C:17 11.10 -8.29 O 15.74 -16.05 O 11.81 -15.10 O 13.24 -6.96 C:3 11.99 -12.15 C:2005 12.89 -18.74 C:10005 17.53 -4.58 C:2004 14.29 -19.00 C:10004 16.85 -3.31 C:2006 12.42 -17.41 C:10006 16.80 -5.80 C:2003 14.74 -16.60 C:10003 14.69 -4.52 C:15005 20.03 -18.57 C:15004 19.64 -17.23 C:15003 18.28 -16.90 C:15002 17.87 -15.57 C:5 9.70 -12.51 C:13 16.95 -11.93 C:6 9.92 -11.09 C:14 15.79 -12.79 C:15 14.78 -13.34 C:9 13.08 -8.85 N 15.22 -17.93 N 15.44 -3.31 O 16.08 -13.91 O 13.82 -13.93 O 15.33 -8.22 O 10.40 -9.80 C:18 17.34 -9.40 C:4 10.98 -13.16 C:15001 16.49 -15.26 C:2001 12.88 -15.01 C:10001 14.64 -6.98 C:12 16.49 -10.57 C:2002 13.36 -16.34 C:10002 15.39 -5.77 C:2 13.36 -12.59 C:7 11.34 -10.86 C:10 14.42 -9.28 C:8 11.79 -9.49 C:11 15.07 -10.57 C:1 14.63 -11.93 47 1 -2 2 19 1 3 35 1 4 35 1 5 36 1 46 6 -2 7 37 2 8 38 2 9 39 2 10 36 2 10 43 1 11 13 1 11 15 2 12 14 1 12 16 2 13 29 2 14 30 2 15 41 1 16 42 1 17 29 1 17 41 2 18 30 1 18 42 2 19 20 1 20 21 1 21 22 1 22 37 1 23 25 1 23 36 1 24 26 1 24 40 1 25 44 1 26 48 1 27 31 1 48 27 -1 28 45 1 28 46 1 31 37 1 32 38 1 43 32 -1 33 39 1 45 33 -1 44 34 -2 34 46 1 35 40 2 38 41 1 39 42 1 40 47 1 43 48 1 44 46 1 45 47 1 47 48 1', '48 52 H 15.52 -9.65 C 21.39 -18.90 C 16.77 -8.12 C 18.77 -9.55 C 10.73 -14.55 C 11.10 -8.29 O 15.74 -16.05 O 11.81 -15.10 O 13.24 -6.96 C 11.99 -12.15 C 12.89 -18.74 C 17.53 -4.58 C 14.29 -19.00 C 16.85 -3.31 C 12.42 -17.41 C 16.80 -5.80 C 14.74 -16.60 C 14.69 -4.52 C 20.03 -18.57 C 19.64 -17.23 C 18.28 -16.90 C 17.87 -15.57 C 9.70 -12.51 C 16.95 -11.93 C 9.92 -11.09 C 15.79 -12.79 C 14.78 -13.34 C 13.08 -8.85 N 15.22 -17.93 N 15.44 -3.31 O 16.08 -13.91 O 13.82 -13.93 O 15.33 -8.22 O 10.40 -9.80 C 17.34 -9.40 C 10.98 -13.16 C 16.49 -15.26 C 12.88 -15.01 C 14.64 -6.98 C 16.49 -10.57 C 13.36 -16.34 C 15.39 -5.77 C 13.36 -12.59 C 11.34 -10.86 C 14.42 -9.28 C 11.79 -9.49 C 15.07 -10.57 C 14.63 -11.93 47 1 -2 2 19 1 3 35 1 4 35 1 5 36 1 46 6 -2 7 37 2 8 38 2 9 39 2 10 36 2 10 43 1 11 13 1 11 15 2 12 14 1 12 16 2 13 29 2 14 30 2 15 41 1 16 42 1 17 29 1 17 41 2 18 30 1 18 42 2 19 20 1 20 21 1 21 22 1 22 37 1 23 25 1 23 36 1 24 26 1 24 40 1 25 44 1 26 48 1 27 31 1 48 27 -1 28 45 1 28 46 1 31 37 1 32 38 1 43 32 -1 33 39 1 45 33 -1 44 34 -2 34 46 1 35 40 2 38 41 1 39 42 1 40 47 1 43 48 1 44 46 1 45 47 1 47 48 1', '48 52 H 15.52 -9.65 C:14 21.39 -18.90 C:22 16.77 -8.12 C:23 18.77 -9.55 C:16 10.73 -14.55 C:18 11.10 -8.29 O 15.74 -16.05 O 11.81 -15.10 O 13.24 -6.96 C:123 11.99 -12.15 C:123 12.89 -18.74 C:124 17.53 -4.58 C:154 14.29 -19.00 C:154 16.85 -3.31 C:137 12.42 -17.41 C:137 16.80 -5.80 C:151 14.74 -16.60 C:151 14.69 -4.52 C:22 20.03 -18.57 C:31 19.64 -17.23 C:25 18.28 -16.90 C:35 17.87 -15.57 C:38 9.70 -12.51 C:28 16.95 -11.93 C:23 9.92 -11.09 C:31 15.79 -12.79 C:66 14.78 -13.34 C:42 13.08 -8.85 N 15.22 -17.93 N 15.44 -3.31 O 16.08 -13.91 O 13.82 -13.93 O 15.33 -8.22 O 10.40 -9.80 C:127 17.34 -9.40 C:140 10.98 -13.16 C:174 16.49 -15.26 C:165 12.88 -15.01 C:164 14.64 -6.98 C:136 16.49 -10.57 C:126 13.36 -16.34 C:126 15.39 -5.77 C:74 13.36 -12.59 C:65 11.34 -10.86 C:75 14.42 -9.28 C:59 11.79 -9.49 C:48 15.07 -10.57 C:56 14.63 -11.93 47 1 -2 2 19 1 3 35 1 4 35 1 5 36 1 46 6 -2 7 37 2 8 38 2 9 39 2 10 36 2 10 43 1 11 13 1 11 15 2 12 14 1 12 16 2 13 29 2 14 30 2 15 41 1 16 42 1 17 29 1 17 41 2 18 30 1 18 42 2 19 20 1 20 21 1 21 22 1 22 37 1 23 25 1 23 36 1 24 26 1 24 40 1 25 44 1 26 48 1 27 31 1 48 27 -1 28 45 1 28 46 1 31 37 1 32 38 1 43 32 -1 33 39 1 45 33 -1 44 34 -2 34 46 1 35 40 2 38 41 1 39 42 1 40 47 1 43 48 1 44 46 1 45 47 1 47 48 1', 'C38H48N2O7', 644.424, 'C', 'cpb04_494_1', 1564, '', '', '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
(6062, 'Nigellamine A4', '', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@:11]14[C:12](=[C:18]([CH3:19])[CH3:20])[CH2:13][CH2:14][C@:1]1([CH2:15]O[C:15001](=O)[CH2:15002][CH2:15003][CH3:15004])[C@@H:2](O[C:2001](=O)[c:2002]2[cH:2006][cH:2005][cH:2004]n[cH:2003]2)[CH:3]=[C:4]([CH3:16])[CH2:5][CH2:6][C@@H:7]3O[C@@:8]3([CH3:17])[CH2:9][C@H:10]4O[C:10001](=O)[c:10002]5[cH:10006][cH:10005][cH:10004]n[cH:10003]5', '[H][C@]14C(=C(C)C)CC[C@]1(COC(=O)CCC)[C@@H](OC(=O)c2cccnc2)C=C(C)CC[C@@H]3O[C@@]3(C)C[C@H]4OC(=O)c5cccnc5', '[H][C@:48]14[C:136](=[C:127]([CH3:23])[CH3:22])[CH2:28][CH2:31][C@:56]1([CH2:66]O[C:174](=O)[CH2:36][CH2:19][CH3:14])[C@@H:74](O[C:165](=O)[c:126]2[cH:137][cH:123][cH:154]n[cH:151]2)[CH:123]=[C:140]([CH3:16])[CH2:38][CH2:23][C@@H:65]3O[C@@:59]3([CH3:18])[CH2:42][C@H:75]4O[C:164](=O)[c:126]5[cH:137][cH:124][cH:154]n[cH:151]5', '46 50 H 16.42 -9.65 C:15004 20.54 -17.23 C:19 19.67 -9.55 C:20 17.67 -8.12 C:16 11.63 -14.55 C:17 12.00 -8.29 O 16.64 -16.05 O 12.71 -15.08 O 14.14 -6.96 C:3 12.89 -12.15 C:2005 13.79 -18.74 C:10005 18.43 -4.58 C:2004 15.19 -19.00 C:10004 17.75 -3.31 C:2006 13.32 -17.41 C:10006 17.70 -5.80 C:2003 15.64 -16.60 C:10003 15.59 -4.52 C:15003 19.18 -16.90 C:15002 18.77 -15.57 C:5 10.60 -12.51 C:13 17.85 -11.93 C:6 10.82 -11.09 C:14 16.69 -12.79 C:15 15.68 -13.34 C:9 13.98 -8.85 N 16.12 -17.93 N 16.34 -3.31 O 16.98 -13.91 O 14.72 -13.93 O 16.23 -8.22 O 11.30 -9.80 C:18 18.24 -9.40 C:4 11.88 -13.16 C:15001 17.39 -15.26 C:2001 13.78 -15.01 C:10001 15.54 -6.98 C:12 17.39 -10.57 C:2002 14.26 -16.34 C:10002 16.29 -5.77 C:2 14.26 -12.59 C:7 12.24 -10.86 C:10 15.32 -9.28 C:8 12.69 -9.49 C:11 15.97 -10.57 C:1 15.53 -11.93 45 1 -2 2 19 1 3 33 1 4 33 1 5 34 1 44 6 -2 7 35 2 8 36 2 9 37 2 10 34 2 10 41 1 11 13 1 11 15 2 12 14 1 12 16 2 13 27 2 14 28 2 15 39 1 16 40 1 17 27 1 17 39 2 18 28 1 18 40 2 19 20 1 20 35 1 21 23 1 21 34 1 22 24 1 22 38 1 23 42 1 24 46 1 25 29 1 46 25 -1 26 43 1 26 44 1 29 35 1 30 36 1 41 30 -1 31 37 1 43 31 -1 42 32 -2 32 44 1 33 38 2 36 39 1 37 40 1 38 45 1 41 46 1 42 44 1 43 45 1 45 46 1', '46 50 H 16.42 -9.65 C 20.54 -17.23 C 19.67 -9.55 C 17.67 -8.12 C 11.63 -14.55 C 12.00 -8.29 O 16.64 -16.05 O 12.71 -15.08 O 14.14 -6.96 C 12.89 -12.15 C 13.79 -18.74 C 18.43 -4.58 C 15.19 -19.00 C 17.75 -3.31 C 13.32 -17.41 C 17.70 -5.80 C 15.64 -16.60 C 15.59 -4.52 C 19.18 -16.90 C 18.77 -15.57 C 10.60 -12.51 C 17.85 -11.93 C 10.82 -11.09 C 16.69 -12.79 C 15.68 -13.34 C 13.98 -8.85 N 16.12 -17.93 N 16.34 -3.31 O 16.98 -13.91 O 14.72 -13.93 O 16.23 -8.22 O 11.30 -9.80 C 18.24 -9.40 C 11.88 -13.16 C 17.39 -15.26 C 13.78 -15.01 C 15.54 -6.98 C 17.39 -10.57 C 14.26 -16.34 C 16.29 -5.77 C 14.26 -12.59 C 12.24 -10.86 C 15.32 -9.28 C 12.69 -9.49 C 15.97 -10.57 C 15.53 -11.93 45 1 -2 2 19 1 3 33 1 4 33 1 5 34 1 44 6 -2 7 35 2 8 36 2 9 37 2 10 34 2 10 41 1 11 13 1 11 15 2 12 14 1 12 16 2 13 27 2 14 28 2 15 39 1 16 40 1 17 27 1 17 39 2 18 28 1 18 40 2 19 20 1 20 35 1 21 23 1 21 34 1 22 24 1 22 38 1 23 42 1 24 46 1 25 29 1 46 25 -1 26 43 1 26 44 1 29 35 1 30 36 1 41 30 -1 31 37 1 43 31 -1 42 32 -2 32 44 1 33 38 2 36 39 1 37 40 1 38 45 1 41 46 1 42 44 1 43 45 1 45 46 1', '46 50 H 16.42 -9.65 C:14 20.54 -17.23 C:23 19.67 -9.55 C:22 17.67 -8.12 C:16 11.63 -14.55 C:18 12.00 -8.29 O 16.64 -16.05 O 12.71 -15.08 O 14.14 -6.96 C:123 12.89 -12.15 C:123 13.79 -18.74 C:124 18.43 -4.58 C:154 15.19 -19.00 C:154 17.75 -3.31 C:137 13.32 -17.41 C:137 17.70 -5.80 C:151 15.64 -16.60 C:151 15.59 -4.52 C:19 19.18 -16.90 C:36 18.77 -15.57 C:38 10.60 -12.51 C:28 17.85 -11.93 C:23 10.82 -11.09 C:31 16.69 -12.79 C:66 15.68 -13.34 C:42 13.98 -8.85 N 16.12 -17.93 N 16.34 -3.31 O 16.98 -13.91 O 14.72 -13.93 O 16.23 -8.22 O 11.30 -9.80 C:127 18.24 -9.40 C:140 11.88 -13.16 C:174 17.39 -15.26 C:165 13.78 -15.01 C:164 15.54 -6.98 C:136 17.39 -10.57 C:126 14.26 -16.34 C:126 16.29 -5.77 C:74 14.26 -12.59 C:65 12.24 -10.86 C:75 15.32 -9.28 C:59 12.69 -9.49 C:48 15.97 -10.57 C:56 15.53 -11.93 45 1 -2 2 19 1 3 33 1 4 33 1 5 34 1 44 6 -2 7 35 2 8 36 2 9 37 2 10 34 2 10 41 1 11 13 1 11 15 2 12 14 1 12 16 2 13 27 2 14 28 2 15 39 1 16 40 1 17 27 1 17 39 2 18 28 1 18 40 2 19 20 1 20 35 1 21 23 1 21 34 1 22 24 1 22 38 1 23 42 1 24 46 1 25 29 1 46 25 -1 26 43 1 26 44 1 29 35 1 30 36 1 41 30 -1 31 37 1 43 31 -1 42 32 -2 32 44 1 33 38 2 36 39 1 37 40 1 38 45 1 41 46 1 42 44 1 43 45 1 45 46 1', 'C36H44N2O7', 616.402, 'C', 'cpb04_494_2', 1564, '', '', '1', 1, NULL, NULL),
(6063, 'Nigellamine A5', '', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@:11]15[C:12](=[C:18]([CH3:19])[CH3:20])[CH2:13][CH2:14][C@:1]1([CH2:15]O[C:15001](=O)[CH2:15002][c:15003]2[cH:15008][cH:15007][cH:15006][cH:15005][cH:15004]2)[C@@H:2](O[C:2001](=O)[c:2002]3[cH:2006][cH:2005][cH:2004]n[cH:2003]3)[CH:3]=[C:4]([CH3:16])[CH2:5][CH2:6][C@@H:7]4O[C@@:8]4([CH3:17])[CH2:9][C@H:10]5O[C:10001](=O)[c:10002]6[cH:10006][cH:10005][cH:10004]n[cH:10003]6', '[H][C@]15C(=C(C)C)CC[C@]1(COC(=O)Cc2ccccc2)[C@@H](OC(=O)c3cccnc3)C=C(C)CC[C@@H]4O[C@@]4(C)C[C@H]5OC(=O)c6cccnc6', '[H][C@:48]15[C:136](=[C:127]([CH3:23])[CH3:22])[CH2:28][CH2:31][C@:56]1([CH2:67]O[C:172](=O)[CH2:41][c:134]2[cH:129][cH:129][cH:127][cH:129][cH:129]2)[C@@H:74](O[C:165](=O)[c:126]3[cH:137][cH:123][cH:154]n[cH:151]3)[CH:123]=[C:140]([CH3:16])[CH2:38][CH2:23][C@@H:65]4O[C@@:59]4([CH3:18])[CH2:42][C@H:75]5O[C:164](=O)[c:126]6[cH:137][cH:124][cH:154]n[cH:151]6', '50 55 H 16.25 -9.37 C:19 19.50 -9.27 C:20 17.50 -7.84 C:16 11.46 -14.27 C:17 11.83 -8.01 O 16.47 -15.77 O 12.54 -14.75 O 13.97 -6.68 C:3 12.72 -11.87 C:15006 19.79 -19.30 C:15007 18.43 -18.97 C:15005 20.76 -18.29 C:2005 13.62 -18.46 C:10005 18.26 -4.30 C:2004 15.02 -18.72 C:10004 17.58 -3.03 C:15008 18.04 -17.63 C:15004 20.37 -16.95 C:2006 13.15 -17.13 C:10006 17.53 -5.52 C:2003 15.47 -16.32 C:10003 15.42 -4.24 C:5 10.43 -12.23 C:13 17.68 -11.65 C:6 10.65 -10.81 C:14 16.52 -12.51 C:15002 18.60 -15.29 C:15 15.51 -13.06 C:9 13.81 -8.57 N 15.95 -17.65 N 16.17 -3.03 O 16.81 -13.63 O 14.55 -13.65 O 16.06 -7.94 O 11.13 -9.52 C:18 18.07 -9.12 C:4 11.71 -12.88 C:15001 17.22 -14.98 C:2001 13.61 -14.73 C:10001 15.37 -6.70 C:12 17.22 -10.29 C:15003 19.01 -16.62 C:2002 14.09 -16.06 C:10002 16.12 -5.49 C:2 14.09 -12.31 C:7 12.07 -10.58 C:10 15.15 -9.00 C:8 12.52 -9.21 C:11 15.80 -10.29 C:1 15.36 -11.65 49 1 -2 2 36 1 3 36 1 4 37 1 48 5 -2 6 38 2 7 39 2 8 40 2 9 37 2 9 45 1 10 11 1 10 12 2 11 17 2 12 18 1 13 15 1 13 19 2 14 16 1 14 20 2 15 30 2 16 31 2 17 42 1 18 42 2 19 43 1 20 44 1 21 30 1 21 43 2 22 31 1 22 44 2 23 25 1 23 37 1 24 26 1 24 41 1 25 46 1 26 50 1 27 38 1 27 42 1 28 32 1 50 28 -1 29 47 1 29 48 1 32 38 1 33 39 1 45 33 -1 34 40 1 47 34 -1 46 35 -2 35 48 1 36 41 2 39 43 1 40 44 1 41 49 1 45 50 1 46 48 1 47 49 1 49 50 1', '50 55 H 16.25 -9.37 C 19.50 -9.27 C 17.50 -7.84 C 11.46 -14.27 C 11.83 -8.01 O 16.47 -15.77 O 12.54 -14.75 O 13.97 -6.68 C 12.72 -11.87 C 19.79 -19.30 C 18.43 -18.97 C 20.76 -18.29 C 13.62 -18.46 C 18.26 -4.30 C 15.02 -18.72 C 17.58 -3.03 C 18.04 -17.63 C 20.37 -16.95 C 13.15 -17.13 C 17.53 -5.52 C 15.47 -16.32 C 15.42 -4.24 C 10.43 -12.23 C 17.68 -11.65 C 10.65 -10.81 C 16.52 -12.51 C 18.60 -15.29 C 15.51 -13.06 C 13.81 -8.57 N 15.95 -17.65 N 16.17 -3.03 O 16.81 -13.63 O 14.55 -13.65 O 16.06 -7.94 O 11.13 -9.52 C 18.07 -9.12 C 11.71 -12.88 C 17.22 -14.98 C 13.61 -14.73 C 15.37 -6.70 C 17.22 -10.29 C 19.01 -16.62 C 14.09 -16.06 C 16.12 -5.49 C 14.09 -12.31 C 12.07 -10.58 C 15.15 -9.00 C 12.52 -9.21 C 15.80 -10.29 C 15.36 -11.65 49 1 -2 2 36 1 3 36 1 4 37 1 48 5 -2 6 38 2 7 39 2 8 40 2 9 37 2 9 45 1 10 11 1 10 12 2 11 17 2 12 18 1 13 15 1 13 19 2 14 16 1 14 20 2 15 30 2 16 31 2 17 42 1 18 42 2 19 43 1 20 44 1 21 30 1 21 43 2 22 31 1 22 44 2 23 25 1 23 37 1 24 26 1 24 41 1 25 46 1 26 50 1 27 38 1 27 42 1 28 32 1 50 28 -1 29 47 1 29 48 1 32 38 1 33 39 1 45 33 -1 34 40 1 47 34 -1 46 35 -2 35 48 1 36 41 2 39 43 1 40 44 1 41 49 1 45 50 1 46 48 1 47 49 1 49 50 1', '50 55 H 16.25 -9.37 C:23 19.50 -9.27 C:22 17.50 -7.84 C:16 11.46 -14.27 C:18 11.83 -8.01 O 16.47 -15.77 O 12.54 -14.75 O 13.97 -6.68 C:123 12.72 -11.87 C:127 19.79 -19.30 C:129 18.43 -18.97 C:129 20.76 -18.29 C:123 13.62 -18.46 C:124 18.26 -4.30 C:154 15.02 -18.72 C:154 17.58 -3.03 C:129 18.04 -17.63 C:129 20.37 -16.95 C:137 13.15 -17.13 C:137 17.53 -5.52 C:151 15.47 -16.32 C:151 15.42 -4.24 C:38 10.43 -12.23 C:28 17.68 -11.65 C:23 10.65 -10.81 C:31 16.52 -12.51 C:41 18.60 -15.29 C:67 15.51 -13.06 C:42 13.81 -8.57 N 15.95 -17.65 N 16.17 -3.03 O 16.81 -13.63 O 14.55 -13.65 O 16.06 -7.94 O 11.13 -9.52 C:127 18.07 -9.12 C:140 11.71 -12.88 C:172 17.22 -14.98 C:165 13.61 -14.73 C:164 15.37 -6.70 C:136 17.22 -10.29 C:134 19.01 -16.62 C:126 14.09 -16.06 C:126 16.12 -5.49 C:74 14.09 -12.31 C:65 12.07 -10.58 C:75 15.15 -9.00 C:59 12.52 -9.21 C:48 15.80 -10.29 C:56 15.36 -11.65 49 1 -2 2 36 1 3 36 1 4 37 1 48 5 -2 6 38 2 7 39 2 8 40 2 9 37 2 9 45 1 10 11 1 10 12 2 11 17 2 12 18 1 13 15 1 13 19 2 14 16 1 14 20 2 15 30 2 16 31 2 17 42 1 18 42 2 19 43 1 20 44 1 21 30 1 21 43 2 22 31 1 22 44 2 23 25 1 23 37 1 24 26 1 24 41 1 25 46 1 26 50 1 27 38 1 27 42 1 28 32 1 50 28 -1 29 47 1 29 48 1 32 38 1 33 39 1 45 33 -1 34 40 1 47 34 -1 46 35 -2 35 48 1 36 41 2 39 43 1 40 44 1 41 49 1 45 50 1 46 48 1 47 49 1 49 50 1', 'C40H44N2O7', 664.445, 'C', 'cpb04_494_3', 1564, '', '', '1', 1, NULL, NULL),
(6064, 'Nigellamine C', '', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@:11]14[C:12](=[C:18]([CH3:19])[CH3:20])[CH2:13][CH2:14][C@:1]1([CH3:15])[C@@H:2](O[C:2001](=O)[c:2002]2[cH:2006][cH:2005][cH:2004]n[cH:2003]2)[CH:3]=[C:4]([CH3:16])[CH2:5][CH2:6][C@@H:7]3O[C@@:8]3([CH3:17])[CH2:9][C@H:10]4O[C:10001](=O)[c:10002]5[cH:10006][cH:10005][cH:10004]n[cH:10003]5', '[H][C@]14C(=C(C)C)CC[C@]1(C)[C@@H](OC(=O)c2cccnc2)C=C(C)CC[C@@H]3O[C@@]3(C)C[C@H]4OC(=O)c5cccnc5', '[H][C@:46]14[C:137](=[C:127]([CH3:22])[CH3:22])[CH2:28][CH2:36][C@:53]1([CH3:20])[C@@H:74](O[C:165](=O)[c:126]2[cH:137][cH:124][cH:154]n[cH:151]2)[CH:125]=[C:139]([CH3:16])[CH2:38][CH2:23][C@@H:65]3O[C@@:59]3([CH3:19])[CH2:41][C@H:76]4O[C:165](=O)[c:126]5[cH:137][cH:124][cH:154]n[cH:151]5', '40 44 H 16.84 -9.65 C:19 20.07 -9.55 C:20 18.08 -8.13 C:16 12.07 -14.53 C:17 12.44 -8.30 C:15 16.10 -13.33 O 13.15 -14.99 O 14.57 -6.98 C:3 13.33 -12.14 C:2005 14.22 -18.70 C:10005 18.84 -4.62 C:2004 15.61 -18.96 C:10004 18.16 -3.35 C:2006 13.75 -17.38 C:10006 18.11 -5.83 C:2003 16.06 -16.57 C:10003 16.01 -4.56 C:5 11.05 -12.50 C:13 18.26 -11.92 C:6 11.26 -11.09 C:14 17.11 -12.78 C:9 14.41 -8.87 N 16.54 -17.89 N 16.76 -3.35 O 15.15 -13.91 O 16.65 -8.23 O 11.74 -9.80 C:18 18.65 -9.40 C:4 12.32 -13.15 C:2001 14.21 -14.99 C:10001 15.96 -7.00 C:12 17.80 -10.57 C:2002 14.69 -16.31 C:10002 16.71 -5.80 C:2 14.69 -12.58 C:7 12.68 -10.86 C:10 15.74 -9.28 C:8 13.13 -9.49 C:1 15.95 -11.92 C:11 16.39 -10.57 40 1 -2 2 28 1 3 28 1 4 29 1 38 5 -2 39 6 -1 7 30 2 8 31 2 9 29 2 9 35 1 10 12 1 10 14 2 11 13 1 11 15 2 12 23 2 13 24 2 14 33 1 15 34 1 16 23 1 16 33 2 17 24 1 17 34 2 18 20 1 18 29 1 19 21 1 19 32 1 20 36 1 21 39 1 22 37 1 22 38 1 25 30 1 35 25 -1 26 31 1 37 26 -1 36 27 -2 27 38 1 28 32 2 30 33 1 31 34 1 32 40 1 35 39 1 36 38 1 37 40 1 39 40 1', '40 44 H 16.84 -9.65 C 20.07 -9.55 C 18.08 -8.13 C 12.07 -14.53 C 12.44 -8.30 C 16.10 -13.33 O 13.15 -14.99 O 14.57 -6.98 C 13.33 -12.14 C 14.22 -18.70 C 18.84 -4.62 C 15.61 -18.96 C 18.16 -3.35 C 13.75 -17.38 C 18.11 -5.83 C 16.06 -16.57 C 16.01 -4.56 C 11.05 -12.50 C 18.26 -11.92 C 11.26 -11.09 C 17.11 -12.78 C 14.41 -8.87 N 16.54 -17.89 N 16.76 -3.35 O 15.15 -13.91 O 16.65 -8.23 O 11.74 -9.80 C 18.65 -9.40 C 12.32 -13.15 C 14.21 -14.99 C 15.96 -7.00 C 17.80 -10.57 C 14.69 -16.31 C 16.71 -5.80 C 14.69 -12.58 C 12.68 -10.86 C 15.74 -9.28 C 13.13 -9.49 C 15.95 -11.92 C 16.39 -10.57 40 1 -2 2 28 1 3 28 1 4 29 1 38 5 -2 39 6 -1 7 30 2 8 31 2 9 29 2 9 35 1 10 12 1 10 14 2 11 13 1 11 15 2 12 23 2 13 24 2 14 33 1 15 34 1 16 23 1 16 33 2 17 24 1 17 34 2 18 20 1 18 29 1 19 21 1 19 32 1 20 36 1 21 39 1 22 37 1 22 38 1 25 30 1 35 25 -1 26 31 1 37 26 -1 36 27 -2 27 38 1 28 32 2 30 33 1 31 34 1 32 40 1 35 39 1 36 38 1 37 40 1 39 40 1', '40 44 H 16.84 -9.65 C:22 20.07 -9.55 C:22 18.08 -8.13 C:16 12.07 -14.53 C:19 12.44 -8.30 C:20 16.10 -13.33 O 13.15 -14.99 O 14.57 -6.98 C:125 13.33 -12.14 C:124 14.22 -18.70 C:124 18.84 -4.62 C:154 15.61 -18.96 C:154 18.16 -3.35 C:137 13.75 -17.38 C:137 18.11 -5.83 C:151 16.06 -16.57 C:151 16.01 -4.56 C:38 11.05 -12.50 C:28 18.26 -11.92 C:23 11.26 -11.09 C:36 17.11 -12.78 C:41 14.41 -8.87 N 16.54 -17.89 N 16.76 -3.35 O 15.15 -13.91 O 16.65 -8.23 O 11.74 -9.80 C:127 18.65 -9.40 C:139 12.32 -13.15 C:165 14.21 -14.99 C:165 15.96 -7.00 C:137 17.80 -10.57 C:126 14.69 -16.31 C:126 16.71 -5.80 C:74 14.69 -12.58 C:65 12.68 -10.86 C:76 15.74 -9.28 C:59 13.13 -9.49 C:53 15.95 -11.92 C:46 16.39 -10.57 40 1 -2 2 28 1 3 28 1 4 29 1 38 5 -2 39 6 -1 7 30 2 8 31 2 9 29 2 9 35 1 10 12 1 10 14 2 11 13 1 11 15 2 12 23 2 13 24 2 14 33 1 15 34 1 16 23 1 16 33 2 17 24 1 17 34 2 18 20 1 18 29 1 19 21 1 19 32 1 20 36 1 21 39 1 22 37 1 22 38 1 25 30 1 35 25 -1 26 31 1 37 26 -1 36 27 -2 27 38 1 28 32 2 30 33 1 31 34 1 32 40 1 35 39 1 36 38 1 37 40 1 39 40 1', 'C32H38N2O5', 530.361, 'C', 'cpb04_494_4', 1564, '', '', '1', 1, NULL, NULL),
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(6079, '', '(1R*,3R*)-3-hydroxydolabella-4(16),7,11(12)-triene-3,13-dione.', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[CH2:16]=[C:4]2[CH2:5][CH2:6][CH:7]=[C:8]([CH3:17])[CH2:9][CH2:10][C:11]1=[C:12]([CH:18]([CH3:20])[CH3:19])[C:13](=O)[CH2:14][C@:1]1([CH3:15])[CH2:2][C@H:3]2O', 'C=C2CCC=C(C)CCC1=C(C(C)C)C(=O)C[C@]1(C)C[C@H]2O', '[CH2:112]=[C:157]2[CH2:37][CH2:30][CH:126]=[C:134]([CH3:16])[CH2:40][CH2:24][C:176]1=[C:147]([CH:26]([CH3:20])[CH3:20])[C:209](=O)[CH2:47][C@:44]1([CH3:29])[CH2:42][C@H:72]2O', '22 23 C:16 12.96 -15.03 C:17 11.46 -9.02 C:20 17.63 -7.24 C:19 19.62 -8.70 C:15 15.65 -12.43 O 19.14 -11.46 O 15.46 -13.56 C:7 12.85 -10.84 C:6 11.74 -11.52 C:5 11.74 -12.90 C:9 13.77 -8.43 C:10 15.15 -8.55 C:14 16.65 -11.89 C:2 14.21 -11.64 C:8 12.85 -9.46 C:4 12.96 -13.63 C:13 17.82 -11.06 C:11 15.94 -9.72 C:12 17.35 -9.72 C:18 18.20 -8.55 C:3 14.21 -12.93 C:1 15.50 -11.06 1 16 2 2 15 1 3 20 1 4 20 1 22 5 -1 6 17 2 21 7 -1 8 9 1 8 15 2 9 10 1 10 16 1 11 12 1 11 15 1 12 18 1 13 17 1 13 22 1 14 21 1 14 22 1 16 21 1 17 19 1 18 19 2 18 22 1 19 20 1', '22 23 C 12.96 -15.03 C 11.46 -9.02 C 17.63 -7.24 C 19.62 -8.70 C 15.65 -12.43 O 19.14 -11.46 O 15.46 -13.56 C 12.85 -10.84 C 11.74 -11.52 C 11.74 -12.90 C 13.77 -8.43 C 15.15 -8.55 C 16.65 -11.89 C 14.21 -11.64 C 12.85 -9.46 C 12.96 -13.63 C 17.82 -11.06 C 15.94 -9.72 C 17.35 -9.72 C 18.20 -8.55 C 14.21 -12.93 C 15.50 -11.06 1 16 2 2 15 1 3 20 1 4 20 1 22 5 -1 6 17 2 21 7 -1 8 9 1 8 15 2 9 10 1 10 16 1 11 12 1 11 15 1 12 18 1 13 17 1 13 22 1 14 21 1 14 22 1 16 21 1 17 19 1 18 19 2 18 22 1 19 20 1', '22 23 C:112 12.96 -15.03 C:16 11.46 -9.02 C:20 17.63 -7.24 C:20 19.62 -8.70 C:29 15.65 -12.43 O 19.14 -11.46 O 15.46 -13.56 C:126 12.85 -10.84 C:30 11.74 -11.52 C:37 11.74 -12.90 C:40 13.77 -8.43 C:24 15.15 -8.55 C:47 16.65 -11.89 C:42 14.21 -11.64 C:134 12.85 -9.46 C:157 12.96 -13.63 C:209 17.82 -11.06 C:176 15.94 -9.72 C:147 17.35 -9.72 C:26 18.20 -8.55 C:72 14.21 -12.93 C:44 15.50 -11.06 1 16 2 2 15 1 3 20 1 4 20 1 22 5 -1 6 17 2 21 7 -1 8 9 1 8 15 2 9 10 1 10 16 1 11 12 1 11 15 1 12 18 1 13 17 1 13 22 1 14 21 1 14 22 1 16 21 1 17 19 1 18 19 2 18 22 1 19 20 1', 'C20H30O2', 302.213, 'C', 'np01_1028_5', 552, '', '', '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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(6094, '', '(1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@@:11]12[CH2:10][CH2:9][C:8](=[CH2:17])[C:7](=O)[CH2:6][CH2:5][C:4]([CH2:16]O[C:16001](=O)[CH2:16002][C:16003]([CH3:16006])(O)[CH2:16004][C:16005](=O)O)=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH2:14][CH2:13][C@H:12]2[C:18]([CH3:19])([CH3:20])O', '[H][C@@]12CCC(=C)C(=O)CCC(COC(=O)CC(C)(O)CC(=O)O)=C[C@H](OC(C)=O)[C@@]1(C)CC[C@H]2C(C)(C)O', '[H][C@@:42]12[CH2:32][CH2:35][C:151](=[CH2:127])[C:206](=O)[CH2:35][CH2:29][C:138]([CH2:61]O[C:172](=O)[CH2:47][C:70]([CH3:28])(O)[CH2:47][C:175](=O)O)=[CH:127][C@H:76](O[C:170]([CH3:21])=O)[C@@:49]1([CH3:16])[CH2:41][CH2:27][C@H:60]2[C:72]([CH3:27])([CH3:32])O', '38 39 H 20.22 -8.49 C:17 15.44 -7.41 C:2002 19.29 -14.89 C:19 23.45 -8.39 C:20 21.47 -6.94 C:16006 9.87 -13.62 C:15 19.50 -12.13 O 20.50 -12.79 O 8.57 -13.13 O 13.34 -12.36 O 15.03 -8.78 O 7.69 -15.39 O 22.86 -7.11 O 12.25 -13.23 C:3 16.73 -10.96 C:6 14.68 -9.91 C:5 14.47 -11.31 C:9 17.81 -7.68 C:16 15.95 -13.36 C:13 21.65 -10.74 C:10 19.14 -8.12 C:14 20.49 -11.59 C:16004 10.08 -15.01 C:16002 12.48 -14.62 O 14.86 -14.24 O 18.08 -12.79 C:2001 19.29 -13.49 C:8 16.53 -8.33 C:16005 8.78 -14.51 C:16001 13.56 -13.74 C:7 16.09 -9.69 C:4 15.73 -11.96 C:2 18.08 -11.39 C:12 21.20 -9.40 C:18 22.04 -8.24 C:16003 11.17 -14.12 C:11 19.78 -9.40 C:1 19.35 -10.74 37 1 -2 2 28 2 3 27 1 4 35 1 5 35 1 6 36 1 38 7 -1 8 27 2 9 29 2 10 30 2 11 31 2 12 29 1 13 35 1 14 36 1 15 32 2 15 33 1 16 17 1 16 31 1 17 32 1 18 21 1 18 28 1 19 25 1 19 32 1 20 22 1 20 34 1 21 37 1 22 38 1 23 29 1 23 36 1 24 30 1 24 36 1 25 30 1 26 27 1 33 26 -1 28 31 1 33 38 1 34 35 -2 34 37 1 37 38 1', '38 39 H 20.22 -8.49 C 15.44 -7.41 C 19.29 -14.89 C 23.45 -8.39 C 21.47 -6.94 C 9.87 -13.62 C 19.50 -12.13 O 20.50 -12.79 O 8.57 -13.13 O 13.34 -12.36 O 15.03 -8.78 O 7.69 -15.39 O 22.86 -7.11 O 12.25 -13.23 C 16.73 -10.96 C 14.68 -9.91 C 14.47 -11.31 C 17.81 -7.68 C 15.95 -13.36 C 21.65 -10.74 C 19.14 -8.12 C 20.49 -11.59 C 10.08 -15.01 C 12.48 -14.62 O 14.86 -14.24 O 18.08 -12.79 C 19.29 -13.49 C 16.53 -8.33 C 8.78 -14.51 C 13.56 -13.74 C 16.09 -9.69 C 15.73 -11.96 C 18.08 -11.39 C 21.20 -9.40 C 22.04 -8.24 C 11.17 -14.12 C 19.78 -9.40 C 19.35 -10.74 37 1 -2 2 28 2 3 27 1 4 35 1 5 35 1 6 36 1 38 7 -1 8 27 2 9 29 2 10 30 2 11 31 2 12 29 1 13 35 1 14 36 1 15 32 2 15 33 1 16 17 1 16 31 1 17 32 1 18 21 1 18 28 1 19 25 1 19 32 1 20 22 1 20 34 1 21 37 1 22 38 1 23 29 1 23 36 1 24 30 1 24 36 1 25 30 1 26 27 1 33 26 -1 28 31 1 33 38 1 34 35 -2 34 37 1 37 38 1', '38 39 H 20.22 -8.49 C:127 15.44 -7.41 C:21 19.29 -14.89 C:27 23.45 -8.39 C:32 21.47 -6.94 C:28 9.87 -13.62 C:16 19.50 -12.13 O 20.50 -12.79 O 8.57 -13.13 O 13.34 -12.36 O 15.03 -8.78 O 7.69 -15.39 O 22.86 -7.11 O 12.25 -13.23 C:127 16.73 -10.96 C:35 14.68 -9.91 C:29 14.47 -11.31 C:35 17.81 -7.68 C:61 15.95 -13.36 C:27 21.65 -10.74 C:32 19.14 -8.12 C:41 20.49 -11.59 C:47 10.08 -15.01 C:47 12.48 -14.62 O 14.86 -14.24 O 18.08 -12.79 C:170 19.29 -13.49 C:151 16.53 -8.33 C:175 8.78 -14.51 C:172 13.56 -13.74 C:206 16.09 -9.69 C:138 15.73 -11.96 C:76 18.08 -11.39 C:60 21.20 -9.40 C:72 22.04 -8.24 C:70 11.17 -14.12 C:42 19.78 -9.40 C:49 19.35 -10.74 37 1 -2 2 28 2 3 27 1 4 35 1 5 35 1 6 36 1 38 7 -1 8 27 2 9 29 2 10 30 2 11 31 2 12 29 1 13 35 1 14 36 1 15 32 2 15 33 1 16 17 1 16 31 1 17 32 1 18 21 1 18 28 1 19 25 1 19 32 1 20 22 1 20 34 1 21 37 1 22 38 1 23 29 1 23 36 1 24 30 1 24 36 1 25 30 1 26 27 1 33 26 -1 28 31 1 33 38 1 34 35 -2 34 37 1 37 38 1', 'C28H42O9', 522.302, 'C', 'ph39_151_6', 1545, '', '', '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
(6095, '', '(1R*, 2R*, 3E, 11R*, 12S*)-2-O-Acetyl-16-O-(3-hy-droxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@@:11]12[CH2:10][CH2:9][C:8](=[CH2:17])[C:7](=O)[CH2:6][CH2:5][C:4]([CH2:16]O)=[CH:3][C@H:2](O)[C@@:1]1([CH3:15])[CH2:14][CH2:13][C@H:12]2[C:18]([CH3:20])([CH3:19])O', '[H][C@@]12CCC(=C)C(=O)CCC(CO)=C[C@H](O)[C@@]1(C)CC[C@H]2C(C)(C)O', '[H][C@@:42]12[CH2:32][CH2:36][C:151](=[CH2:126])[C:207](=O)[CH2:35][CH2:29][C:139]([CH2:59]O)=[CH:130][C@H:74](O)[C@@:51]1([CH3:16])[CH2:41][CH2:28][C@H:60]2[C:72]([CH3:32])([CH3:27])O', '25 26 H 20.22 -8.49 C:17 15.44 -7.41 C:20 21.46 -6.94 C:19 23.44 -8.39 C:15 19.50 -12.13 O 15.03 -8.78 O 14.86 -14.24 O 18.19 -12.79 O 22.85 -7.11 C:3 16.73 -10.96 C:16 15.95 -13.36 C:6 14.68 -9.91 C:5 14.47 -11.31 C:9 17.81 -7.68 C:13 21.64 -10.74 C:10 19.14 -8.12 C:14 20.49 -11.59 C:8 16.53 -8.33 C:7 16.09 -9.69 C:4 15.73 -11.96 C:2 18.08 -11.39 C:12 21.19 -9.40 C:18 22.03 -8.24 C:11 19.78 -9.40 C:1 19.35 -10.74 24 1 -2 2 18 2 3 23 1 4 23 1 25 5 -1 6 19 2 7 11 1 21 8 -1 9 23 1 10 20 2 10 21 1 11 20 1 12 13 1 12 19 1 13 20 1 14 16 1 14 18 1 15 17 1 15 22 1 16 24 1 17 25 1 18 19 1 21 25 1 22 23 -2 22 24 1 24 25 1', '25 26 H 20.22 -8.49 C 15.44 -7.41 C 21.46 -6.94 C 23.44 -8.39 C 19.50 -12.13 O 15.03 -8.78 O 14.86 -14.24 O 18.19 -12.79 O 22.85 -7.11 C 16.73 -10.96 C 15.95 -13.36 C 14.68 -9.91 C 14.47 -11.31 C 17.81 -7.68 C 21.64 -10.74 C 19.14 -8.12 C 20.49 -11.59 C 16.53 -8.33 C 16.09 -9.69 C 15.73 -11.96 C 18.08 -11.39 C 21.19 -9.40 C 22.03 -8.24 C 19.78 -9.40 C 19.35 -10.74 24 1 -2 2 18 2 3 23 1 4 23 1 25 5 -1 6 19 2 7 11 1 21 8 -1 9 23 1 10 20 2 10 21 1 11 20 1 12 13 1 12 19 1 13 20 1 14 16 1 14 18 1 15 17 1 15 22 1 16 24 1 17 25 1 18 19 1 21 25 1 22 23 -2 22 24 1 24 25 1', '25 26 H 20.22 -8.49 C:126 15.44 -7.41 C:32 21.46 -6.94 C:27 23.44 -8.39 C:16 19.50 -12.13 O 15.03 -8.78 O 14.86 -14.24 O 18.19 -12.79 O 22.85 -7.11 C:130 16.73 -10.96 C:59 15.95 -13.36 C:35 14.68 -9.91 C:29 14.47 -11.31 C:36 17.81 -7.68 C:28 21.64 -10.74 C:32 19.14 -8.12 C:41 20.49 -11.59 C:151 16.53 -8.33 C:207 16.09 -9.69 C:139 15.73 -11.96 C:74 18.08 -11.39 C:60 21.19 -9.40 C:72 22.03 -8.24 C:42 19.78 -9.40 C:51 19.35 -10.74 24 1 -2 2 18 2 3 23 1 4 23 1 25 5 -1 6 19 2 7 11 1 21 8 -1 9 23 1 10 20 2 10 21 1 11 20 1 12 13 1 12 19 1 13 20 1 14 16 1 14 18 1 15 17 1 15 22 1 16 24 1 17 25 1 18 19 1 21 25 1 22 23 -2 22 24 1 24 25 1', 'C20H32O4', 336.22, 'C', 'ph39_151_6a', 1545, '', '', '1', 1, NULL, NULL),
(6096, '', '(1R*,2R*,3E, 11R*, 12S*)-2,18-O-Diacetyl-16-O-(3-hydroxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@@:11]12[CH2:10][CH2:9][C:8](=[CH2:17])[C:7](=O)[CH2:6][CH2:5][C:4]([CH2:16]O[C:16001](=O)[CH2:16002][C:16003]([CH3:16006])(O)[CH2:16004][C:16005](=O)O)=[CH:3][C@H:2](O[C:2001]([CH3:2002])=O)[C@@:1]1([CH3:15])[CH2:14][CH2:13][C@H:12]2[C:18]([CH3:20])([CH3:19])O[C:18001]([CH3:18002])=O', '[H][C@@]12CCC(=C)C(=O)CCC(COC(=O)CC(C)(O)CC(=O)O)=C[C@H](OC(C)=O)[C@@]1(C)CC[C@H]2C(C)(C)OC(C)=O', '[H][C@@:42]12[CH2:30][CH2:35][C:150](=[CH2:126])[C:205](=O)[CH2:35][CH2:30][C:138]([CH2:61]O[C:172](=O)[CH2:47][C:70]([CH3:28])(O)[CH2:47][C:176](=O)O)=[CH:127][C@H:76](O[C:170]([CH3:21])=O)[C@@:49]1([CH3:17])[CH2:40][CH2:27][C@H:58]2[C:85]([CH3:27])([CH3:24])O[C:170]([CH3:23])=O', '41 42 H 19.40 -8.88 C:17 14.60 -7.80 C:2002 18.47 -15.27 C:18002 24.24 -6.51 C:20 20.64 -7.33 C:19 22.61 -8.78 C:16006 9.03 -14.00 C:15 18.68 -12.51 O 19.68 -13.17 O 23.99 -8.92 O 7.73 -13.51 O 12.50 -12.74 O 14.18 -9.18 O 6.85 -15.80 O 11.41 -13.61 C:3 15.90 -11.34 C:6 13.84 -10.29 C:5 13.63 -11.69 C:9 16.99 -8.07 C:16 15.11 -13.74 C:13 20.82 -11.12 C:10 18.32 -8.51 C:14 19.67 -11.97 C:16004 9.24 -15.40 C:16002 11.64 -15.00 O 14.02 -14.62 O 17.26 -13.17 O 22.03 -7.50 C:2001 18.47 -13.87 C:18001 23.42 -7.64 C:8 15.70 -8.72 C:16005 7.94 -14.89 C:16001 12.72 -14.12 C:7 15.25 -10.07 C:4 14.89 -12.34 C:2 17.26 -11.77 C:12 20.37 -9.79 C:18 21.21 -8.63 C:16003 10.33 -14.50 C:11 18.96 -9.79 C:1 18.53 -11.12 40 1 -2 2 31 2 3 29 1 4 30 1 5 38 1 6 38 1 7 39 1 41 8 -1 9 29 2 10 30 2 11 32 2 12 33 2 13 34 2 14 32 1 15 39 1 16 35 2 16 36 1 17 18 1 17 34 1 18 35 1 19 22 1 19 31 1 20 26 1 20 35 1 21 23 1 21 37 1 22 40 1 23 41 1 24 32 1 24 39 1 25 33 1 25 39 1 26 33 1 27 29 1 36 27 -1 28 30 1 28 38 1 31 34 1 36 41 1 37 38 -2 37 40 1 40 41 1', '41 42 H 19.40 -8.88 C 14.60 -7.80 C 18.47 -15.27 C 24.24 -6.51 C 20.64 -7.33 C 22.61 -8.78 C 9.03 -14.00 C 18.68 -12.51 O 19.68 -13.17 O 23.99 -8.92 O 7.73 -13.51 O 12.50 -12.74 O 14.18 -9.18 O 6.85 -15.80 O 11.41 -13.61 C 15.90 -11.34 C 13.84 -10.29 C 13.63 -11.69 C 16.99 -8.07 C 15.11 -13.74 C 20.82 -11.12 C 18.32 -8.51 C 19.67 -11.97 C 9.24 -15.40 C 11.64 -15.00 O 14.02 -14.62 O 17.26 -13.17 O 22.03 -7.50 C 18.47 -13.87 C 23.42 -7.64 C 15.70 -8.72 C 7.94 -14.89 C 12.72 -14.12 C 15.25 -10.07 C 14.89 -12.34 C 17.26 -11.77 C 20.37 -9.79 C 21.21 -8.63 C 10.33 -14.50 C 18.96 -9.79 C 18.53 -11.12 40 1 -2 2 31 2 3 29 1 4 30 1 5 38 1 6 38 1 7 39 1 41 8 -1 9 29 2 10 30 2 11 32 2 12 33 2 13 34 2 14 32 1 15 39 1 16 35 2 16 36 1 17 18 1 17 34 1 18 35 1 19 22 1 19 31 1 20 26 1 20 35 1 21 23 1 21 37 1 22 40 1 23 41 1 24 32 1 24 39 1 25 33 1 25 39 1 26 33 1 27 29 1 36 27 -1 28 30 1 28 38 1 31 34 1 36 41 1 37 38 -2 37 40 1 40 41 1', '41 42 H 19.40 -8.88 C:126 14.60 -7.80 C:21 18.47 -15.27 C:23 24.24 -6.51 C:27 20.64 -7.33 C:24 22.61 -8.78 C:28 9.03 -14.00 C:17 18.68 -12.51 O 19.68 -13.17 O 23.99 -8.92 O 7.73 -13.51 O 12.50 -12.74 O 14.18 -9.18 O 6.85 -15.80 O 11.41 -13.61 C:127 15.90 -11.34 C:35 13.84 -10.29 C:30 13.63 -11.69 C:35 16.99 -8.07 C:61 15.11 -13.74 C:27 20.82 -11.12 C:30 18.32 -8.51 C:40 19.67 -11.97 C:47 9.24 -15.40 C:47 11.64 -15.00 O 14.02 -14.62 O 17.26 -13.17 O 22.03 -7.50 C:170 18.47 -13.87 C:170 23.42 -7.64 C:150 15.70 -8.72 C:176 7.94 -14.89 C:172 12.72 -14.12 C:205 15.25 -10.07 C:138 14.89 -12.34 C:76 17.26 -11.77 C:58 20.37 -9.79 C:85 21.21 -8.63 C:70 10.33 -14.50 C:42 18.96 -9.79 C:49 18.53 -11.12 40 1 -2 2 31 2 3 29 1 4 30 1 5 38 1 6 38 1 7 39 1 41 8 -1 9 29 2 10 30 2 11 32 2 12 33 2 13 34 2 14 32 1 15 39 1 16 35 2 16 36 1 17 18 1 17 34 1 18 35 1 19 22 1 19 31 1 20 26 1 20 35 1 21 23 1 21 37 1 22 40 1 23 41 1 24 32 1 24 39 1 25 33 1 25 39 1 26 33 1 27 29 1 36 27 -1 28 30 1 28 38 1 31 34 1 36 41 1 37 38 -2 37 40 1 40 41 1', 'C30H44O10', 564.323, 'C', 'ph39_151_7', 1545, '', '', '1', 1, NULL, NULL),
(6097, '', '(1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-8,9-Epoxydolabella-3,7-dien-2,16,18-triol ', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@@:11]12[CH2:10][CH2:9][C:8]([CH3:17])=[CH:7][CH2:6][CH2:5][C:4]([CH2:16]O[C:16001](=O)[CH2:16002][C:16003]([CH3:16006])(O)[CH2:16004][C:16005](=O)O)=[CH:3][C@H:2](O)[C@@:1]1([CH3:15])[CH2:14][CH2:13][C@H:12]2[C:18]([CH3:20])([CH3:19])O', '[H][C@@]12CCC(C)=CCCC(COC(=O)CC(C)(O)CC(=O)O)=C[C@H](O)[C@@]1(C)CC[C@H]2C(C)(C)O', '[H][C@@:40]12[CH2:33][CH2:38][C:133]([CH3:17])=[CH:128][CH2:24][CH2:35][C:134]([CH2:62]O[C:173](=O)[CH2:46][C:70]([CH3:28])(O)[CH2:48][C:180](=O)O)=[CH:134][C@H:70](O)[C@@:51]1([CH3:18])[CH2:37][CH2:25][C@H:61]2[C:72]([CH3:30])([CH3:30])O', '34 35 H 19.33 -9.50 C:17 14.55 -8.42 C:20 20.57 -7.95 C:19 22.54 -9.40 C:16006 8.98 -14.63 C:15 18.61 -13.14 O 7.68 -14.14 O 12.45 -13.37 O 6.80 -16.41 O 17.30 -13.80 O 21.96 -8.12 O 11.36 -14.24 C:7 15.20 -10.70 C:3 15.84 -11.97 C:6 13.79 -10.92 C:5 13.58 -12.32 C:9 16.92 -8.69 C:13 20.75 -11.75 C:16 15.06 -14.37 C:10 18.25 -9.13 C:14 19.60 -12.60 C:16004 9.19 -16.03 C:16002 11.59 -15.63 O 13.97 -15.25 C:8 15.64 -9.34 C:16005 7.89 -15.52 C:16001 12.67 -14.75 C:4 14.84 -12.97 C:2 17.19 -12.40 C:12 20.30 -10.41 C:18 21.14 -9.25 C:16003 10.28 -15.13 C:11 18.89 -10.41 C:1 18.46 -11.75 33 1 -2 2 25 1 3 31 1 4 31 1 5 32 1 34 6 -1 7 26 2 8 27 2 9 26 1 29 10 -1 11 31 1 12 32 1 13 15 1 13 25 2 14 28 2 14 29 1 15 16 1 16 28 1 17 20 1 17 25 1 18 21 1 18 30 1 19 24 1 19 28 1 20 33 1 21 34 1 22 26 1 22 32 1 23 27 1 23 32 1 24 27 1 29 34 1 30 31 -2 30 33 1 33 34 1', '34 35 H 19.33 -9.50 C 14.55 -8.42 C 20.57 -7.95 C 22.54 -9.40 C 8.98 -14.63 C 18.61 -13.14 O 7.68 -14.14 O 12.45 -13.37 O 6.80 -16.41 O 17.30 -13.80 O 21.96 -8.12 O 11.36 -14.24 C 15.20 -10.70 C 15.84 -11.97 C 13.79 -10.92 C 13.58 -12.32 C 16.92 -8.69 C 20.75 -11.75 C 15.06 -14.37 C 18.25 -9.13 C 19.60 -12.60 C 9.19 -16.03 C 11.59 -15.63 O 13.97 -15.25 C 15.64 -9.34 C 7.89 -15.52 C 12.67 -14.75 C 14.84 -12.97 C 17.19 -12.40 C 20.30 -10.41 C 21.14 -9.25 C 10.28 -15.13 C 18.89 -10.41 C 18.46 -11.75 33 1 -2 2 25 1 3 31 1 4 31 1 5 32 1 34 6 -1 7 26 2 8 27 2 9 26 1 29 10 -1 11 31 1 12 32 1 13 15 1 13 25 2 14 28 2 14 29 1 15 16 1 16 28 1 17 20 1 17 25 1 18 21 1 18 30 1 19 24 1 19 28 1 20 33 1 21 34 1 22 26 1 22 32 1 23 27 1 23 32 1 24 27 1 29 34 1 30 31 -2 30 33 1 33 34 1', '34 35 H 19.33 -9.50 C:17 14.55 -8.42 C:30 20.57 -7.95 C:30 22.54 -9.40 C:28 8.98 -14.63 C:18 18.61 -13.14 O 7.68 -14.14 O 12.45 -13.37 O 6.80 -16.41 O 17.30 -13.80 O 21.96 -8.12 O 11.36 -14.24 C:128 15.20 -10.70 C:134 15.84 -11.97 C:24 13.79 -10.92 C:35 13.58 -12.32 C:38 16.92 -8.69 C:25 20.75 -11.75 C:62 15.06 -14.37 C:33 18.25 -9.13 C:37 19.60 -12.60 C:48 9.19 -16.03 C:46 11.59 -15.63 O 13.97 -15.25 C:133 15.64 -9.34 C:180 7.89 -15.52 C:173 12.67 -14.75 C:134 14.84 -12.97 C:70 17.19 -12.40 C:61 20.30 -10.41 C:72 21.14 -9.25 C:70 10.28 -15.13 C:40 18.89 -10.41 C:51 18.46 -11.75 33 1 -2 2 25 1 3 31 1 4 31 1 5 32 1 34 6 -1 7 26 2 8 27 2 9 26 1 29 10 -1 11 31 1 12 32 1 13 15 1 13 25 2 14 28 2 14 29 1 15 16 1 16 28 1 17 20 1 17 25 1 18 21 1 18 30 1 19 24 1 19 28 1 20 33 1 21 34 1 22 26 1 22 32 1 23 27 1 23 32 1 24 27 1 29 34 1 30 31 -2 30 33 1 33 34 1', 'C26H42O7', 466.282, 'C', 'ph39_151_8', 1545, '', '', '1', 1, NULL, NULL),
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(6109, 'Atranones F', '', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@:11]23[CH2:10][CH:9]=[C:8]([CH3:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]1(O)[CH2:6001][C:6002](=O)O[C:5]1=[C:4]([CH3:16])[CH2:3][CH2:2][C@:1]2([CH3:15])O[C:14](=O)[CH:13]=[C:12]3[CH:18]([CH3:19])[CH3:20]', '[H][C@]23CC=C(C)[C@H](OC(C)=O)[C@@]1(O)CC(=O)OC1=C(C)CC[C@]2(C)OC(=O)C=C3C(C)C', '[H][C@:44]23[CH2:26][CH:134]=[C:133]([CH3:19])[C@H:75](O[C:170]([CH3:21])=O)[C@@:77]1(O)[CH2:41][C:171](=O)O[C:150]1=[C:117]([CH3:17])[CH2:24][CH2:37][C@:86]2([CH3:22])O[C:165](=O)[CH:113]=[C:169]3[CH:31]([CH3:21])[CH3:24]', '32 34 H 17.66 -9.91 C:7002 10.64 -7.33 C:16 14.33 -14.95 C:17 14.32 -8.11 C:19 18.03 -8.03 C:20 20.49 -8.02 C:15 17.62 -13.63 O 13.29 -7.48 O 21.77 -12.96 O 9.38 -13.33 O 11.42 -10.67 C:9 15.73 -9.74 C:13 20.51 -10.85 C:3 15.73 -13.39 C:10 16.64 -10.63 C:2 16.65 -12.51 C:6001 11.14 -11.52 O 11.84 -13.66 O 11.84 -9.38 O 19.30 -13.00 C:7001 11.84 -8.02 C:4 14.33 -13.57 C:8 14.33 -9.53 C:14 20.52 -12.27 C:6002 10.68 -12.85 C:12 19.28 -10.14 C:5 12.97 -12.85 C:18 19.29 -8.72 C:7 12.94 -10.20 C:11 18.09 -10.86 C:1 18.09 -12.28 C:6 12.52 -11.52 30 1 -1 2 21 1 3 22 1 4 23 1 5 28 1 6 28 1 31 7 -2 8 21 2 9 24 2 10 25 2 32 11 -1 12 15 1 12 23 2 13 24 1 13 26 2 14 16 1 14 22 1 15 30 1 16 31 1 17 25 1 17 32 1 18 25 1 18 27 1 19 21 1 29 19 -1 20 24 1 20 31 1 22 27 2 23 29 1 26 28 1 26 30 1 27 32 1 29 32 1 30 31 1', '32 34 H 17.66 -9.91 C 10.64 -7.33 C 14.33 -14.95 C 14.32 -8.11 C 18.03 -8.03 C 20.49 -8.02 C 17.62 -13.63 O 13.29 -7.48 O 21.77 -12.96 O 9.38 -13.33 O 11.42 -10.67 C 15.73 -9.74 C 20.51 -10.85 C 15.73 -13.39 C 16.64 -10.63 C 16.65 -12.51 C 11.14 -11.52 O 11.84 -13.66 O 11.84 -9.38 O 19.30 -13.00 C 11.84 -8.02 C 14.33 -13.57 C 14.33 -9.53 C 20.52 -12.27 C 10.68 -12.85 C 19.28 -10.14 C 12.97 -12.85 C 19.29 -8.72 C 12.94 -10.20 C 18.09 -10.86 C 18.09 -12.28 C 12.52 -11.52 30 1 -1 2 21 1 3 22 1 4 23 1 5 28 1 6 28 1 31 7 -2 8 21 2 9 24 2 10 25 2 32 11 -1 12 15 1 12 23 2 13 24 1 13 26 2 14 16 1 14 22 1 15 30 1 16 31 1 17 25 1 17 32 1 18 25 1 18 27 1 19 21 1 29 19 -1 20 24 1 20 31 1 22 27 2 23 29 1 26 28 1 26 30 1 27 32 1 29 32 1 30 31 1', '32 34 H 17.66 -9.91 C:21 10.64 -7.33 C:17 14.33 -14.95 C:19 14.32 -8.11 C:21 18.03 -8.03 C:24 20.49 -8.02 C:22 17.62 -13.63 O 13.29 -7.48 O 21.77 -12.96 O 9.38 -13.33 O 11.42 -10.67 C:134 15.73 -9.74 C:113 20.51 -10.85 C:24 15.73 -13.39 C:26 16.64 -10.63 C:37 16.65 -12.51 C:41 11.14 -11.52 O 11.84 -13.66 O 11.84 -9.38 O 19.30 -13.00 C:170 11.84 -8.02 C:117 14.33 -13.57 C:133 14.33 -9.53 C:165 20.52 -12.27 C:171 10.68 -12.85 C:169 19.28 -10.14 C:150 12.97 -12.85 C:31 19.29 -8.72 C:75 12.94 -10.20 C:44 18.09 -10.86 C:86 18.09 -12.28 C:77 12.52 -11.52 30 1 -1 2 21 1 3 22 1 4 23 1 5 28 1 6 28 1 31 7 -2 8 21 2 9 24 2 10 25 2 32 11 -1 12 15 1 12 23 2 13 24 1 13 26 2 14 16 1 14 22 1 15 30 1 16 31 1 17 25 1 17 32 1 18 25 1 18 27 1 19 21 1 29 19 -1 20 24 1 20 31 1 22 27 2 23 29 1 26 28 1 26 30 1 27 32 1 29 32 1 30 31 1', 'C24H32O7', 432.261, 'C', 'ph_55_663_6', 882, '', '', '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
(6110, 'Atranones G', '', 'Terpenoids', 'Diterpenoids', 'Dolabellanes', '[H][C@:11]23[CH2:10][CH:9]=[C:8]([CH3:17])[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:6]1(O)[CH2:6001][C:6002](=O)O[C:5]1=[C:4]([CH3:16])[CH2:3][CH2:2][C@:1]2([CH3:15])O[C:14](=O)[C:13](O[CH3:13001])=[C:12]3[CH:18]([CH3:20])[CH3:19]', '[H][C@]23CC=C(C)[C@H](OC(C)=O)[C@@]1(O)CC(=O)OC1=C(C)CC[C@]2(C)OC(=O)C(OC)=C3C(C)C', '[H][C@:45]23[CH2:26][CH:134]=[C:133]([CH3:21])[C@H:75](O[C:171]([CH3:21])=O)[C@@:76]1(O)[CH2:41][C:170](=O)O[C:150]1=[C:117]([CH3:17])[CH2:24][CH2:37][C@:86]2([CH3:21])O[C:161](=O)[C:141](O[CH3:59])=[C:147]3[CH:30]([CH3:21])[CH3:20]', '34 36 H 17.09 -9.90 C:13001 22.36 -10.83 C:7002 10.07 -7.33 C:16 13.76 -14.94 C:17 13.75 -8.10 C:20 19.92 -8.02 C:19 17.46 -8.03 C:15 17.05 -13.62 O 12.72 -7.48 O 8.81 -13.32 O 21.20 -12.95 O 10.85 -10.66 C:9 15.16 -9.73 C:3 15.16 -13.38 C:10 16.07 -10.62 C:2 16.08 -12.50 C:6001 10.57 -11.51 O 21.15 -10.14 O 11.27 -13.65 O 11.27 -9.37 O 18.73 -12.99 C:7001 11.27 -8.02 C:4 13.76 -13.56 C:8 13.76 -9.52 C:6002 10.11 -12.84 C:14 19.95 -12.26 C:13 19.94 -10.84 C:5 12.40 -12.84 C:12 18.71 -10.13 C:18 18.72 -8.71 C:7 12.37 -10.19 C:11 17.52 -10.85 C:1 17.52 -12.27 C:6 11.95 -11.51 32 1 -1 2 18 1 3 22 1 4 23 1 5 24 1 6 30 1 7 30 1 33 8 -2 9 22 2 10 25 2 11 26 2 34 12 -1 13 15 1 13 24 2 14 16 1 14 23 1 15 32 1 16 33 1 17 25 1 17 34 1 18 27 1 19 25 1 19 28 1 20 22 1 31 20 -1 21 26 1 21 33 1 23 28 2 24 31 1 26 27 1 27 29 2 28 34 1 29 30 1 29 32 1 31 34 1 32 33 1', '34 36 H 17.09 -9.90 C 22.36 -10.83 C 10.07 -7.33 C 13.76 -14.94 C 13.75 -8.10 C 19.92 -8.02 C 17.46 -8.03 C 17.05 -13.62 O 12.72 -7.48 O 8.81 -13.32 O 21.20 -12.95 O 10.85 -10.66 C 15.16 -9.73 C 15.16 -13.38 C 16.07 -10.62 C 16.08 -12.50 C 10.57 -11.51 O 21.15 -10.14 O 11.27 -13.65 O 11.27 -9.37 O 18.73 -12.99 C 11.27 -8.02 C 13.76 -13.56 C 13.76 -9.52 C 10.11 -12.84 C 19.95 -12.26 C 19.94 -10.84 C 12.40 -12.84 C 18.71 -10.13 C 18.72 -8.71 C 12.37 -10.19 C 17.52 -10.85 C 17.52 -12.27 C 11.95 -11.51 32 1 -1 2 18 1 3 22 1 4 23 1 5 24 1 6 30 1 7 30 1 33 8 -2 9 22 2 10 25 2 11 26 2 34 12 -1 13 15 1 13 24 2 14 16 1 14 23 1 15 32 1 16 33 1 17 25 1 17 34 1 18 27 1 19 25 1 19 28 1 20 22 1 31 20 -1 21 26 1 21 33 1 23 28 2 24 31 1 26 27 1 27 29 2 28 34 1 29 30 1 29 32 1 31 34 1 32 33 1', '34 36 H 17.09 -9.90 C:59 22.36 -10.83 C:21 10.07 -7.33 C:17 13.76 -14.94 C:21 13.75 -8.10 C:21 19.92 -8.02 C:20 17.46 -8.03 C:21 17.05 -13.62 O 12.72 -7.48 O 8.81 -13.32 O 21.20 -12.95 O 10.85 -10.66 C:134 15.16 -9.73 C:24 15.16 -13.38 C:26 16.07 -10.62 C:37 16.08 -12.50 C:41 10.57 -11.51 O 21.15 -10.14 O 11.27 -13.65 O 11.27 -9.37 O 18.73 -12.99 C:171 11.27 -8.02 C:117 13.76 -13.56 C:133 13.76 -9.52 C:170 10.11 -12.84 C:161 19.95 -12.26 C:141 19.94 -10.84 C:150 12.40 -12.84 C:147 18.71 -10.13 C:30 18.72 -8.71 C:75 12.37 -10.19 C:45 17.52 -10.85 C:86 17.52 -12.27 C:76 11.95 -11.51 32 1 -1 2 18 1 3 22 1 4 23 1 5 24 1 6 30 1 7 30 1 33 8 -2 9 22 2 10 25 2 11 26 2 34 12 -1 13 15 1 13 24 2 14 16 1 14 23 1 15 32 1 16 33 1 17 25 1 17 34 1 18 27 1 19 25 1 19 28 1 20 22 1 31 20 -1 21 26 1 21 33 1 23 28 2 24 31 1 26 27 1 27 29 2 28 34 1 29 30 1 29 32 1 31 34 1 32 33 1', 'C25H34O8', 462.271, 'C', 'ph_55_663_7', 882, '', '', '1', 1, NULL, NULL),
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(6121, 'Agallochaol C', '', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]2([C:4](=[CH2:19])[CH3:18])[CH2:6][CH2:7][C@@:8]13[CH2:14][CH2:13][C@H:12]([CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C:3](=O)O)[C@:16](O)([CH2:17]O)[CH2:15]3', '[H][C@]2(C(=C)C)CC[C@@]13CC[C@H](C[C@@]1([H])[C@]2(C)CCC(=O)O)[C@](O)(CO)C3', '[H][C@:53]2([C:150](=[CH2:114])[CH3:25])[CH2:26][CH2:40][C@@:35]13[CH2:29][CH2:25][C@H:34]([CH2:25][C@@:45]1([H])[C@:41]2([CH3:19])[CH2:36][CH2:30][C:179](=O)O)[C@:76](O)([CH2:70]O)[CH2:54]3', '26 28 H 14.94 -13.56 H 16.19 -11.53 C:19 13.65 -14.67 C:18 12.44 -12.54 C:20 14.92 -9.68 O 11.22 -9.05 O 21.17 -8.93 O 10.02 -11.17 O 18.67 -7.57 C:2 12.44 -11.13 C:13 16.82 -9.52 C:17 19.94 -8.24 C:1 13.65 -10.41 C:6 16.19 -13.27 C:14 18.17 -10.03 C:7 17.43 -12.54 C:11 16.19 -8.97 C:15 18.67 -10.41 C:4 13.65 -13.27 C:3 11.22 -10.45 C:12 17.43 -8.24 C:5 14.92 -12.54 C:9 16.19 -10.41 C:10 14.92 -11.13 C:16 18.67 -8.97 C:8 17.43 -11.13 22 1 -1 23 2 -1 3 19 2 4 19 1 24 5 -2 6 20 2 7 12 1 8 20 1 25 9 -1 10 13 1 10 20 1 11 15 1 21 11 -2 25 12 -2 13 24 1 14 16 1 14 22 1 26 15 -2 16 26 1 17 21 1 17 23 1 18 25 1 18 26 1 19 22 1 21 25 1 22 24 1 23 24 1 23 26 1', '26 28 H 14.94 -13.56 H 16.19 -11.53 C 13.65 -14.67 C 12.44 -12.54 C 14.92 -9.68 O 11.22 -9.05 O 21.17 -8.93 O 10.02 -11.17 O 18.67 -7.57 C 12.44 -11.13 C 16.82 -9.52 C 19.94 -8.24 C 13.65 -10.41 C 16.19 -13.27 C 18.17 -10.03 C 17.43 -12.54 C 16.19 -8.97 C 18.67 -10.41 C 13.65 -13.27 C 11.22 -10.45 C 17.43 -8.24 C 14.92 -12.54 C 16.19 -10.41 C 14.92 -11.13 C 18.67 -8.97 C 17.43 -11.13 22 1 -1 23 2 -1 3 19 2 4 19 1 24 5 -2 6 20 2 7 12 1 8 20 1 25 9 -1 10 13 1 10 20 1 11 15 1 21 11 -2 25 12 -2 13 24 1 14 16 1 14 22 1 26 15 -2 16 26 1 17 21 1 17 23 1 18 25 1 18 26 1 19 22 1 21 25 1 22 24 1 23 24 1 23 26 1', '26 28 H 14.94 -13.56 H 16.19 -11.53 C:114 13.65 -14.67 C:25 12.44 -12.54 C:19 14.92 -9.68 O 11.22 -9.05 O 21.17 -8.93 O 10.02 -11.17 O 18.67 -7.57 C:30 12.44 -11.13 C:25 16.82 -9.52 C:70 19.94 -8.24 C:36 13.65 -10.41 C:26 16.19 -13.27 C:29 18.17 -10.03 C:40 17.43 -12.54 C:25 16.19 -8.97 C:54 18.67 -10.41 C:150 13.65 -13.27 C:179 11.22 -10.45 C:34 17.43 -8.24 C:53 14.92 -12.54 C:45 16.19 -10.41 C:41 14.92 -11.13 C:76 18.67 -8.97 C:35 17.43 -11.13 22 1 -1 23 2 -1 3 19 2 4 19 1 24 5 -2 6 20 2 7 12 1 8 20 1 25 9 -1 10 13 1 10 20 1 11 15 1 21 11 -2 25 12 -2 13 24 1 14 16 1 14 22 1 26 15 -2 16 26 1 17 21 1 17 23 1 18 25 1 18 26 1 19 22 1 21 25 1 22 24 1 23 24 1 23 26 1', 'C20H32O4', 336.227, 'M', 'hca05_979_1', 2403, '', '', '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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(6123, 'Agallochaol E', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]23[CH2:6][CH:7]=[C:8]1[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:13]([CH3:17])([CH:15]([CH2:16]O[C:16001]([CH3:16002])=O)O[C:15001]([CH3:15002])=O)[CH2:12][C@@H:11](O[C:11001]([CH3:11002])=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=C1[C@@H](OC(C)=O)[C@@](C)(C(COC(C)=O)OC(C)=O)C[C@@H](OC(C)=O)[C@]1([H])[C@@]2(C)CCC(=O)[C@@]3(C)C', '[H][C@@:51]23[CH2:23][CH:133]=[C:131]1[C@@H:76](O[C:170]([CH3:21])=O)[C@@:39]([CH3:16])([CH:72]([CH2:63]O[C:171]([CH3:21])=O)O[C:170]([CH3:20])=O)[CH2:34][C@@H:69](O[C:170]([CH3:21])=O)[C@:50]1([H])[C@@:36]2([CH3:14])[CH2:39][CH2:34][C:215](=O)[C@@:47]3([CH3:22])[CH3:25]', '39 41 H 12.46 -14.47 H 13.73 -12.31 C:16002 22.34 -8.96 C:15002 20.13 -12.95 C:11002 11.34 -7.04 C:14002 18.65 -14.13 C:19 10.14 -15.20 C:18 12.17 -15.29 C:17 16.23 -8.68 C:20 12.46 -10.59 O 20.63 -7.24 O 20.40 -10.53 O 13.76 -7.06 O 16.21 -14.12 O 8.74 -14.21 C:7 14.99 -13.51 C:6 13.73 -14.24 C:2 9.94 -12.07 C:16 18.65 -9.21 C:1 11.19 -11.33 C:12 14.99 -9.15 O 20.00 -9.58 O 18.18 -11.50 O 12.52 -9.15 O 17.44 -12.03 C:16001 20.99 -8.59 C:15001 19.57 -11.66 C:11001 12.54 -7.75 C:14001 17.43 -13.43 C:3 9.94 -13.51 C:8 14.99 -12.07 C:15 17.63 -10.22 C:11 13.73 -9.87 C:14 16.23 -11.33 C:4 11.19 -14.24 C:5 12.46 -13.51 C:13 16.23 -9.87 C:9 13.73 -11.33 C:10 12.46 -12.07 36 1 -2 38 2 -2 3 26 1 4 27 1 5 28 1 6 29 1 35 7 -1 35 8 -2 37 9 -1 39 10 -1 11 26 2 12 27 2 13 28 2 14 29 2 15 30 2 16 17 1 16 31 2 17 36 1 18 20 1 18 30 1 19 22 1 19 32 1 20 39 1 21 33 1 21 37 1 22 26 1 23 27 1 23 32 1 24 28 1 33 24 -2 25 29 1 34 25 -2 30 35 1 31 34 1 31 38 1 37 32 -2 33 38 1 34 37 1 35 36 1 36 39 1 38 39 1', '39 41 H 12.46 -14.47 H 13.73 -12.31 C 22.34 -8.96 C 20.13 -12.95 C 11.34 -7.04 C 18.65 -14.13 C 10.14 -15.20 C 12.17 -15.29 C 16.23 -8.68 C 12.46 -10.59 O 20.63 -7.24 O 20.40 -10.53 O 13.76 -7.06 O 16.21 -14.12 O 8.74 -14.21 C 14.99 -13.51 C 13.73 -14.24 C 9.94 -12.07 C 18.65 -9.21 C 11.19 -11.33 C 14.99 -9.15 O 20.00 -9.58 O 18.18 -11.50 O 12.52 -9.15 O 17.44 -12.03 C 20.99 -8.59 C 19.57 -11.66 C 12.54 -7.75 C 17.43 -13.43 C 9.94 -13.51 C 14.99 -12.07 C 17.63 -10.22 C 13.73 -9.87 C 16.23 -11.33 C 11.19 -14.24 C 12.46 -13.51 C 16.23 -9.87 C 13.73 -11.33 C 12.46 -12.07 36 1 -2 38 2 -2 3 26 1 4 27 1 5 28 1 6 29 1 35 7 -1 35 8 -2 37 9 -1 39 10 -1 11 26 2 12 27 2 13 28 2 14 29 2 15 30 2 16 17 1 16 31 2 17 36 1 18 20 1 18 30 1 19 22 1 19 32 1 20 39 1 21 33 1 21 37 1 22 26 1 23 27 1 23 32 1 24 28 1 33 24 -2 25 29 1 34 25 -2 30 35 1 31 34 1 31 38 1 37 32 -2 33 38 1 34 37 1 35 36 1 36 39 1 38 39 1', '39 41 H 12.46 -14.47 H 13.73 -12.31 C:21 22.34 -8.96 C:20 20.13 -12.95 C:21 11.34 -7.04 C:21 18.65 -14.13 C:22 10.14 -15.20 C:25 12.17 -15.29 C:16 16.23 -8.68 C:14 12.46 -10.59 O 20.63 -7.24 O 20.40 -10.53 O 13.76 -7.06 O 16.21 -14.12 O 8.74 -14.21 C:133 14.99 -13.51 C:23 13.73 -14.24 C:34 9.94 -12.07 C:63 18.65 -9.21 C:39 11.19 -11.33 C:34 14.99 -9.15 O 20.00 -9.58 O 18.18 -11.50 O 12.52 -9.15 O 17.44 -12.03 C:171 20.99 -8.59 C:170 19.57 -11.66 C:170 12.54 -7.75 C:170 17.43 -13.43 C:215 9.94 -13.51 C:131 14.99 -12.07 C:72 17.63 -10.22 C:69 13.73 -9.87 C:76 16.23 -11.33 C:47 11.19 -14.24 C:51 12.46 -13.51 C:39 16.23 -9.87 C:50 13.73 -11.33 C:36 12.46 -12.07 36 1 -2 38 2 -2 3 26 1 4 27 1 5 28 1 6 29 1 35 7 -1 35 8 -2 37 9 -1 39 10 -1 11 26 2 12 27 2 13 28 2 14 29 2 15 30 2 16 17 1 16 31 2 17 36 1 18 20 1 18 30 1 19 22 1 19 32 1 20 39 1 21 33 1 21 37 1 22 26 1 23 27 1 23 32 1 24 28 1 33 24 -2 25 29 1 34 25 -2 30 35 1 31 34 1 31 38 1 37 32 -2 33 38 1 34 37 1 35 36 1 36 39 1 38 39 1', 'C28H40O9', 520.31, 'C', 'hca05_979_3a', 2403, '', '', '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
(6153, 'Orthosiphol M', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]24[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]1(O)[C:14](=O)[C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][C:11](=O)[C@:9]1([H])[C@@:10]2([CH3:20])[C@@H:1](O[C:1001](=O)[c:1002]3[cH:1007][cH:1006][cH:1005][cH:1004][cH:1003]3)[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O)[C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]24C[C@@H](OC(C)=O)[C@@]1(O)C(=O)[C@@](C)(C=C)CC(=O)[C@]1([H])[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H](O)[C@@]4(C)C', '[H][C@@:35]24[CH2:21][C@@H:71](O[C:169]([CH3:21])=O)[C@@:77]1(O)[C:208](=O)[C@@:49]([CH3:25])([CH:138]=[CH2:116])[CH2:47][C:205](=O)[C@:52]1([H])[C@@:43]2([CH3:16])[C@@H:75](O[C:164](=O)[c:130]3[cH:130][cH:129][cH:133][cH:129][cH:130]3)[C@@H:67](O[C:170]([CH3:21])=O)[C@@H:76](O)[C@@:38]4([CH3:22])[CH3:29]', '43 46 H 15.55 -14.90 H 16.81 -12.75 C:16 21.76 -10.23 C:7002 20.55 -16.72 C:2002 9.41 -11.82 C:17 20.55 -9.57 C:19 13.24 -15.64 C:18 15.26 -15.73 C:20 15.55 -11.04 O 18.13 -16.74 O 10.62 -13.92 O 11.86 -10.51 O 15.64 -9.57 O 20.55 -12.47 O 11.82 -14.65 O 18.09 -11.11 C:15 20.57 -10.99 C:1005 13.06 -5.57 C:1006 14.26 -6.28 C:1004 11.87 -6.28 C:1007 14.26 -7.66 C:1003 11.87 -7.66 C:12 18.09 -9.59 C:6 16.81 -14.67 O 19.33 -14.63 O 11.83 -11.82 O 14.27 -10.37 C:7001 19.34 -16.03 C:2001 10.62 -12.52 C:1001 13.06 -9.76 C:11 16.81 -10.30 C:14 19.36 -11.78 C:1002 13.06 -8.36 C:3 13.04 -13.94 C:7 18.09 -13.94 C:2 13.04 -12.50 C:1 14.27 -11.78 C:13 19.36 -10.30 C:4 14.27 -14.67 C:5 15.55 -13.94 C:9 16.81 -11.78 C:10 15.55 -12.50 C:8 18.09 -12.50 40 1 -2 41 2 -2 3 17 2 4 28 1 5 29 1 38 6 -1 39 7 -1 39 8 -2 42 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 34 15 -2 43 16 -1 38 17 -2 18 19 1 18 20 2 19 21 2 20 22 1 21 33 1 22 33 2 23 31 1 23 38 1 24 35 1 24 40 1 25 28 1 35 25 -2 26 29 1 36 26 -2 27 30 1 37 27 -2 30 33 1 31 41 1 32 38 1 32 43 1 34 36 1 34 39 1 35 43 1 36 37 1 37 42 1 39 40 1 40 42 1 41 42 1 41 43 1', '43 46 H 15.55 -14.90 H 16.81 -12.75 C 21.76 -10.23 C 20.55 -16.72 C 9.41 -11.82 C 20.55 -9.57 C 13.24 -15.64 C 15.26 -15.73 C 15.55 -11.04 O 18.13 -16.74 O 10.62 -13.92 O 11.86 -10.51 O 15.64 -9.57 O 20.55 -12.47 O 11.82 -14.65 O 18.09 -11.11 C 20.57 -10.99 C 13.06 -5.57 C 14.26 -6.28 C 11.87 -6.28 C 14.26 -7.66 C 11.87 -7.66 C 18.09 -9.59 C 16.81 -14.67 O 19.33 -14.63 O 11.83 -11.82 O 14.27 -10.37 C 19.34 -16.03 C 10.62 -12.52 C 13.06 -9.76 C 16.81 -10.30 C 19.36 -11.78 C 13.06 -8.36 C 13.04 -13.94 C 18.09 -13.94 C 13.04 -12.50 C 14.27 -11.78 C 19.36 -10.30 C 14.27 -14.67 C 15.55 -13.94 C 16.81 -11.78 C 15.55 -12.50 C 18.09 -12.50 40 1 -2 41 2 -2 3 17 2 4 28 1 5 29 1 38 6 -1 39 7 -1 39 8 -2 42 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 34 15 -2 43 16 -1 38 17 -2 18 19 1 18 20 2 19 21 2 20 22 1 21 33 1 22 33 2 23 31 1 23 38 1 24 35 1 24 40 1 25 28 1 35 25 -2 26 29 1 36 26 -2 27 30 1 37 27 -2 30 33 1 31 41 1 32 38 1 32 43 1 34 36 1 34 39 1 35 43 1 36 37 1 37 42 1 39 40 1 40 42 1 41 42 1 41 43 1', '43 46 H 15.55 -14.90 H 16.81 -12.75 C:116 21.76 -10.23 C:21 20.55 -16.72 C:21 9.41 -11.82 C:25 20.55 -9.57 C:22 13.24 -15.64 C:29 15.26 -15.73 C:16 15.55 -11.04 O 18.13 -16.74 O 10.62 -13.92 O 11.86 -10.51 O 15.64 -9.57 O 20.55 -12.47 O 11.82 -14.65 O 18.09 -11.11 C:138 20.57 -10.99 C:133 13.06 -5.57 C:129 14.26 -6.28 C:129 11.87 -6.28 C:130 14.26 -7.66 C:130 11.87 -7.66 C:47 18.09 -9.59 C:21 16.81 -14.67 O 19.33 -14.63 O 11.83 -11.82 O 14.27 -10.37 C:169 19.34 -16.03 C:170 10.62 -12.52 C:164 13.06 -9.76 C:205 16.81 -10.30 C:208 19.36 -11.78 C:130 13.06 -8.36 C:76 13.04 -13.94 C:71 18.09 -13.94 C:67 13.04 -12.50 C:75 14.27 -11.78 C:49 19.36 -10.30 C:38 14.27 -14.67 C:35 15.55 -13.94 C:52 16.81 -11.78 C:43 15.55 -12.50 C:77 18.09 -12.50 40 1 -2 41 2 -2 3 17 2 4 28 1 5 29 1 38 6 -1 39 7 -1 39 8 -2 42 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 32 2 34 15 -2 43 16 -1 38 17 -2 18 19 1 18 20 2 19 21 2 20 22 1 21 33 1 22 33 2 23 31 1 23 38 1 24 35 1 24 40 1 25 28 1 35 25 -2 26 29 1 36 26 -2 27 30 1 37 27 -2 30 33 1 31 41 1 32 38 1 32 43 1 34 36 1 34 39 1 35 43 1 36 37 1 37 42 1 39 40 1 40 42 1 41 42 1 41 43 1', 'C31H38O10', 570.342, 'C', 'np01_592_3', 153, '', '', '1', 1, NULL, NULL),
(6154, 'Orthosiphol N', '', 'Terpenoids', 'Diterpenoids', 'Isopimaranes', '[H][C@@:5]25[CH2:6][C@@H:7](O)[C@@:8]1(O)[C:14](=O)[C@@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:12][C:11](=O)[C@:9]1([H])[C@@:10]2([CH3:20])[C@@H:1](O[C:1001](=O)[c:1002]3[cH:1007][cH:1006][cH:1005][cH:1004][cH:1003]3)[C@@H:2](O[C:2001]([CH3:2002])=O)[C@@H:3](O[C:3001](=O)[c:3002]4[cH:3007][cH:3006][cH:3005][cH:3004][cH:3003]4)[C@@:4]5([CH3:19])[CH3:18]', '[H][C@@]25C[C@@H](O)[C@@]1(O)C(=O)[C@@](C)(C=C)CC(=O)[C@]1([H])[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)[C@@]5(C)C', '[H][C@@:35]25[CH2:24][C@@H:68](O)[C@@:77]1(O)[C:214](=O)[C@@:49]([CH3:25])([CH:139]=[CH2:117])[CH2:48][C:210](=O)[C@:51]1([H])[C@@:43]2([CH3:17])[C@@H:74](O[C:165](=O)[c:130]3[cH:131][cH:128][cH:133][cH:128][cH:131]3)[C@@H:66](O[C:171]([CH3:21])=O)[C@@H:77](O[C:166](=O)[c:130]4[cH:130][cH:128][cH:133][cH:128][cH:130]4)[C@@:37]5([CH3:28])[CH3:22]', '48 52 H 16.16 -13.83 H 17.42 -11.68 C:16 22.36 -9.16 C:2002 10.02 -10.75 C:17 21.15 -8.50 C:19 13.85 -14.57 C:18 15.87 -14.66 C:20 16.16 -9.97 O 11.23 -12.85 O 13.61 -15.70 O 12.47 -9.44 O 16.25 -8.50 O 21.15 -11.40 O 19.93 -13.56 O 18.70 -10.04 C:15 21.17 -9.92 C:3005 8.76 -17.02 C:1005 13.67 -4.50 C:3006 8.76 -15.62 C:3004 9.94 -17.74 C:1006 14.87 -5.21 C:1004 12.48 -5.21 C:3007 9.99 -14.94 C:3003 11.19 -17.06 C:1007 14.87 -6.59 C:1003 12.48 -6.59 C:12 18.70 -8.52 C:6 17.42 -13.60 O 12.44 -10.75 O 12.43 -13.58 O 14.88 -9.30 C:2001 11.23 -11.45 C:3001 12.41 -14.98 C:1001 13.67 -8.69 C:11 17.42 -9.23 C:14 19.96 -10.71 C:3002 11.19 -15.66 C:1002 13.67 -7.29 C:7 18.70 -12.87 C:2 13.65 -11.43 C:3 13.65 -12.87 C:1 14.88 -10.71 C:13 19.96 -9.23 C:4 14.88 -13.60 C:5 16.16 -12.87 C:9 17.42 -10.71 C:10 16.16 -11.43 C:8 18.70 -11.43 45 1 -2 46 2 -2 3 16 2 4 32 1 43 5 -1 44 6 -1 44 7 -2 47 8 -1 9 32 2 10 33 2 11 34 2 12 35 2 13 36 2 39 14 -2 48 15 -1 43 16 -2 17 19 1 17 20 2 18 21 1 18 22 2 19 23 2 20 24 1 21 25 2 22 26 1 23 37 1 24 37 2 25 38 1 26 38 2 27 35 1 27 43 1 28 39 1 28 45 1 29 32 1 40 29 -2 30 33 1 41 30 -2 31 34 1 42 31 -2 33 37 1 34 38 1 35 46 1 36 43 1 36 48 1 39 48 1 40 41 1 40 42 1 41 44 1 42 47 1 44 45 1 45 47 1 46 47 1 46 48 1', '48 52 H 16.16 -13.83 H 17.42 -11.68 C 22.36 -9.16 C 10.02 -10.75 C 21.15 -8.50 C 13.85 -14.57 C 15.87 -14.66 C 16.16 -9.97 O 11.23 -12.85 O 13.61 -15.70 O 12.47 -9.44 O 16.25 -8.50 O 21.15 -11.40 O 19.93 -13.56 O 18.70 -10.04 C 21.17 -9.92 C 8.76 -17.02 C 13.67 -4.50 C 8.76 -15.62 C 9.94 -17.74 C 14.87 -5.21 C 12.48 -5.21 C 9.99 -14.94 C 11.19 -17.06 C 14.87 -6.59 C 12.48 -6.59 C 18.70 -8.52 C 17.42 -13.60 O 12.44 -10.75 O 12.43 -13.58 O 14.88 -9.30 C 11.23 -11.45 C 12.41 -14.98 C 13.67 -8.69 C 17.42 -9.23 C 19.96 -10.71 C 11.19 -15.66 C 13.67 -7.29 C 18.70 -12.87 C 13.65 -11.43 C 13.65 -12.87 C 14.88 -10.71 C 19.96 -9.23 C 14.88 -13.60 C 16.16 -12.87 C 17.42 -10.71 C 16.16 -11.43 C 18.70 -11.43 45 1 -2 46 2 -2 3 16 2 4 32 1 43 5 -1 44 6 -1 44 7 -2 47 8 -1 9 32 2 10 33 2 11 34 2 12 35 2 13 36 2 39 14 -2 48 15 -1 43 16 -2 17 19 1 17 20 2 18 21 1 18 22 2 19 23 2 20 24 1 21 25 2 22 26 1 23 37 1 24 37 2 25 38 1 26 38 2 27 35 1 27 43 1 28 39 1 28 45 1 29 32 1 40 29 -2 30 33 1 41 30 -2 31 34 1 42 31 -2 33 37 1 34 38 1 35 46 1 36 43 1 36 48 1 39 48 1 40 41 1 40 42 1 41 44 1 42 47 1 44 45 1 45 47 1 46 47 1 46 48 1', '48 52 H 16.16 -13.83 H 17.42 -11.68 C:117 22.36 -9.16 C:21 10.02 -10.75 C:25 21.15 -8.50 C:28 13.85 -14.57 C:22 15.87 -14.66 C:17 16.16 -9.97 O 11.23 -12.85 O 13.61 -15.70 O 12.47 -9.44 O 16.25 -8.50 O 21.15 -11.40 O 19.93 -13.56 O 18.70 -10.04 C:139 21.17 -9.92 C:133 8.76 -17.02 C:133 13.67 -4.50 C:128 8.76 -15.62 C:128 9.94 -17.74 C:128 14.87 -5.21 C:128 12.48 -5.21 C:130 9.99 -14.94 C:130 11.19 -17.06 C:131 14.87 -6.59 C:131 12.48 -6.59 C:48 18.70 -8.52 C:24 17.42 -13.60 O 12.44 -10.75 O 12.43 -13.58 O 14.88 -9.30 C:171 11.23 -11.45 C:166 12.41 -14.98 C:165 13.67 -8.69 C:210 17.42 -9.23 C:214 19.96 -10.71 C:130 11.19 -15.66 C:130 13.67 -7.29 C:68 18.70 -12.87 C:66 13.65 -11.43 C:77 13.65 -12.87 C:74 14.88 -10.71 C:49 19.96 -9.23 C:37 14.88 -13.60 C:35 16.16 -12.87 C:51 17.42 -10.71 C:43 16.16 -11.43 C:77 18.70 -11.43 45 1 -2 46 2 -2 3 16 2 4 32 1 43 5 -1 44 6 -1 44 7 -2 47 8 -1 9 32 2 10 33 2 11 34 2 12 35 2 13 36 2 39 14 -2 48 15 -1 43 16 -2 17 19 1 17 20 2 18 21 1 18 22 2 19 23 2 20 24 1 21 25 2 22 26 1 23 37 1 24 37 2 25 38 1 26 38 2 27 35 1 27 43 1 28 39 1 28 45 1 29 32 1 40 29 -2 30 33 1 41 30 -2 31 34 1 42 31 -2 33 37 1 34 38 1 35 46 1 36 43 1 36 48 1 39 48 1 40 41 1 40 42 1 41 44 1 42 47 1 44 45 1 45 47 1 46 47 1 46 48 1', 'C36H40O10', 632.395, 'C', 'np01_592_4', 153, '', '', '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
(6165, 'Staminol D', '', 'Terpenoids', 'Diterpenoids', 'Staminanes', '[H][C@@:5]34[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]2(O)[C:14](=O)[C@@:13]([CH3:17])(O)[C@@H:12]([CH:15]=[CH2:16])[C@@H:11](O[C:11001](=O)[c:11002]1[cH:11003][cH:11004][cH:11005][cH:11006][cH:11007]1)[C@:9]2([H])[C@@:10]3([CH3:20])[CH:1]=[C:2](O[C:2001]([CH3:2002])=O)[C:3](=O)[C@:4]4([CH3:18])[CH3:19]', '[H][C@@]34C[C@@H](OC(C)=O)[C@@]2(O)C(=O)[C@@](C)(O)[C@@H](C=C)[C@@H](OC(=O)c1ccccc1)[C@]2([H])[C@@]3(C)C=C(OC(C)=O)C(=O)[C@]4(C)C', '[H][C@@:44]34[CH2:23][C@@H:70](O[C:169]([CH3:21])=O)[C@@:77]2(O)[C:208](=O)[C@@:76]([CH3:28])(O)[C@@H:54]([CH:131]=[CH2:122])[C@@H:70](O[C:165](=O)[c:130]1[cH:130][cH:129][cH:134][cH:129][cH:130]1)[C@:45]2([H])[C@@:40]3([CH3:21])[CH:144]=[C:143](O[C:170]([CH3:20])=O)[C:197](=O)[C@:45]4([CH3:28])[CH3:21]', '43 46 H 16.08 -15.00 H 17.35 -12.89 C:16 19.76 -7.64 C:2002 9.94 -11.96 C:7002 21.04 -16.85 C:18 15.78 -15.81 C:19 13.77 -15.73 C:17 20.67 -9.28 C:20 16.08 -11.19 O 11.15 -14.06 O 18.60 -16.86 O 17.38 -7.64 O 12.37 -14.76 O 21.03 -12.63 O 21.24 -10.92 O 18.60 -11.24 C:15 18.58 -8.34 C:1 14.79 -11.91 C:11005 12.52 -6.18 C:11004 13.75 -5.48 C:11006 12.52 -7.58 C:11003 14.93 -6.21 C:11007 13.71 -8.29 C:6 17.35 -14.79 O 12.36 -11.96 O 19.82 -14.75 O 16.14 -9.74 C:2001 11.15 -12.66 C:7001 19.82 -16.13 C:11001 16.14 -8.32 C:3 13.57 -14.07 C:2 13.57 -12.64 C:14 19.83 -11.91 C:11002 14.93 -7.61 C:7 18.60 -14.07 C:12 18.60 -9.74 C:11 17.35 -10.45 C:4 14.79 -14.79 C:13 19.83 -10.45 C:5 16.08 -14.07 C:10 16.08 -12.64 C:9 17.35 -11.91 C:8 18.60 -12.64 40 1 -2 42 2 -2 3 17 2 4 28 1 5 29 1 38 6 -2 38 7 -1 39 8 -1 41 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 33 2 39 15 -2 43 16 -1 36 17 -2 18 32 2 18 41 1 19 20 2 19 21 1 20 22 1 21 23 2 22 34 2 23 34 1 24 35 1 24 40 1 25 28 1 25 32 1 26 29 1 35 26 -2 27 30 1 37 27 -2 30 34 1 31 32 1 31 38 1 33 39 1 33 43 1 35 43 1 36 37 1 36 39 1 37 42 1 38 40 1 40 41 1 41 42 1 42 43 1', '43 46 H 16.08 -15.00 H 17.35 -12.89 C 19.76 -7.64 C 9.94 -11.96 C 21.04 -16.85 C 15.78 -15.81 C 13.77 -15.73 C 20.67 -9.28 C 16.08 -11.19 O 11.15 -14.06 O 18.60 -16.86 O 17.38 -7.64 O 12.37 -14.76 O 21.03 -12.63 O 21.24 -10.92 O 18.60 -11.24 C 18.58 -8.34 C 14.79 -11.91 C 12.52 -6.18 C 13.75 -5.48 C 12.52 -7.58 C 14.93 -6.21 C 13.71 -8.29 C 17.35 -14.79 O 12.36 -11.96 O 19.82 -14.75 O 16.14 -9.74 C 11.15 -12.66 C 19.82 -16.13 C 16.14 -8.32 C 13.57 -14.07 C 13.57 -12.64 C 19.83 -11.91 C 14.93 -7.61 C 18.60 -14.07 C 18.60 -9.74 C 17.35 -10.45 C 14.79 -14.79 C 19.83 -10.45 C 16.08 -14.07 C 16.08 -12.64 C 17.35 -11.91 C 18.60 -12.64 40 1 -2 42 2 -2 3 17 2 4 28 1 5 29 1 38 6 -2 38 7 -1 39 8 -1 41 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 33 2 39 15 -2 43 16 -1 36 17 -2 18 32 2 18 41 1 19 20 2 19 21 1 20 22 1 21 23 2 22 34 2 23 34 1 24 35 1 24 40 1 25 28 1 25 32 1 26 29 1 35 26 -2 27 30 1 37 27 -2 30 34 1 31 32 1 31 38 1 33 39 1 33 43 1 35 43 1 36 37 1 36 39 1 37 42 1 38 40 1 40 41 1 41 42 1 42 43 1', '43 46 H 16.08 -15.00 H 17.35 -12.89 C:122 19.76 -7.64 C:20 9.94 -11.96 C:21 21.04 -16.85 C:28 15.78 -15.81 C:21 13.77 -15.73 C:28 20.67 -9.28 C:21 16.08 -11.19 O 11.15 -14.06 O 18.60 -16.86 O 17.38 -7.64 O 12.37 -14.76 O 21.03 -12.63 O 21.24 -10.92 O 18.60 -11.24 C:131 18.58 -8.34 C:144 14.79 -11.91 C:134 12.52 -6.18 C:129 13.75 -5.48 C:129 12.52 -7.58 C:130 14.93 -6.21 C:130 13.71 -8.29 C:23 17.35 -14.79 O 12.36 -11.96 O 19.82 -14.75 O 16.14 -9.74 C:170 11.15 -12.66 C:169 19.82 -16.13 C:165 16.14 -8.32 C:197 13.57 -14.07 C:143 13.57 -12.64 C:208 19.83 -11.91 C:130 14.93 -7.61 C:70 18.60 -14.07 C:54 18.60 -9.74 C:70 17.35 -10.45 C:45 14.79 -14.79 C:76 19.83 -10.45 C:44 16.08 -14.07 C:40 16.08 -12.64 C:45 17.35 -11.91 C:77 18.60 -12.64 40 1 -2 42 2 -2 3 17 2 4 28 1 5 29 1 38 6 -2 38 7 -1 39 8 -1 41 9 -1 10 28 2 11 29 2 12 30 2 13 31 2 14 33 2 39 15 -2 43 16 -1 36 17 -2 18 32 2 18 41 1 19 20 2 19 21 1 20 22 1 21 23 2 22 34 2 23 34 1 24 35 1 24 40 1 25 28 1 25 32 1 26 29 1 35 26 -2 27 30 1 37 27 -2 30 34 1 31 32 1 31 38 1 33 39 1 33 43 1 35 43 1 36 37 1 36 39 1 37 42 1 38 40 1 40 41 1 41 42 1 42 43 1', 'C31H36O10', 568.342, 'C', 'np04_654_2', 1643, '', '', '1', 1, NULL, NULL),
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