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
(14144, '', '14α-(1'',1'',3'',3''-Tetramethyl-1'',3''-dihydroisoindol-2''-yloxyl)-7α,8α-epoxy-13-oxo-deisopropyl-abietic acid', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]56[CH2:6][C@H:7]1O[C@:8]14[C@@H:14](ON3[C:101]([CH3:108])([CH3:109])[c:107001]2[cH:107][cH:106][cH:105][cH:104][c:103001]2[C:103]3([CH3:110])[CH3:111])[C:13](=O)[CH2:12][CH2:11][CH:9]4[C@@:10]5([CH3:17])[CH2:1][CH2:2][CH2:3][C@@:4]6([CH3:16])[C:15](=O)O', '[H][C@@]56C[C@H]1O[C@]14[C@@H](ON3C(C)(C)c2ccccc2C3(C)C)C(=O)CCC4[C@@]5(C)CCC[C@@]6(C)C(=O)O', '[H][C@@:40]56[CH2:25][C@H:57]1O[C@:59]14[C@@H:92](ON3[C:68]([CH3:30])([CH3:26])[c:145]2[cH:122][cH:128][cH:128][cH:122][c:145]2[C:69]3([CH3:31])[CH3:26])[C:205](=O)[CH2:38][CH2:18][CH:51]4[C@@:34]5([CH3:16])[CH2:38][CH2:18][CH2:37][C@@:46]6([CH3:18])[C:183](=O)O', '36 41 H 13.30 -13.36 C:108 19.41 -7.43 C:109 18.13 -8.95 C:110 19.97 -11.94 C:111 21.90 -11.48 C:16 11.02 -14.12 C:17 13.30 -9.55 O 14.40 -13.96 O 18.22 -8.17 O 12.61 -15.53 C:106 22.97 -7.27 C:105 23.70 -8.43 C:107 21.56 -7.27 C:104 23.03 -9.69 C:2 10.83 -11.01 C:12 15.69 -8.17 C:11 14.52 -8.83 C:3 10.83 -12.43 C:1 12.05 -10.27 C:6 14.52 -13.14 O 18.22 -10.94 O 16.90 -11.73 C:15 13.04 -14.22 C:13 16.98 -8.83 C:107001 20.89 -8.49 C:103001 21.63 -9.69 C:7 15.69 -12.43 C:14 16.98 -10.27 C:9 14.52 -10.27 N 19.41 -10.21 C:101 19.53 -8.83 C:103 20.71 -10.75 C:4 12.05 -13.14 C:5 13.30 -12.43 C:10 13.30 -11.01 C:8 15.69 -11.01 34 1 -2 2 31 1 3 31 1 4 32 1 5 32 1 33 6 -1 35 7 -1 8 23 2 9 24 2 10 23 1 11 12 2 11 13 1 12 14 1 13 25 2 14 26 2 15 18 1 15 19 1 16 17 1 16 24 1 17 29 1 18 33 1 19 35 1 20 27 1 20 34 1 28 21 -2 21 30 1 27 22 -2 36 22 -2 33 23 -2 24 28 1 25 26 1 25 31 1 26 32 1 27 36 1 28 36 1 29 35 1 29 36 1 30 31 1 30 32 1 33 34 1 34 35 1', '36 41 H 13.30 -13.36 C 19.41 -7.43 C 18.13 -8.95 C 19.97 -11.94 C 21.90 -11.48 C 11.02 -14.12 C 13.30 -9.55 O 14.40 -13.96 O 18.22 -8.17 O 12.61 -15.53 C 22.97 -7.27 C 23.70 -8.43 C 21.56 -7.27 C 23.03 -9.69 C 10.83 -11.01 C 15.69 -8.17 C 14.52 -8.83 C 10.83 -12.43 C 12.05 -10.27 C 14.52 -13.14 O 18.22 -10.94 O 16.90 -11.73 C 13.04 -14.22 C 16.98 -8.83 C 20.89 -8.49 C 21.63 -9.69 C 15.69 -12.43 C 16.98 -10.27 C 14.52 -10.27 N 19.41 -10.21 C 19.53 -8.83 C 20.71 -10.75 C 12.05 -13.14 C 13.30 -12.43 C 13.30 -11.01 C 15.69 -11.01 34 1 -2 2 31 1 3 31 1 4 32 1 5 32 1 33 6 -1 35 7 -1 8 23 2 9 24 2 10 23 1 11 12 2 11 13 1 12 14 1 13 25 2 14 26 2 15 18 1 15 19 1 16 17 1 16 24 1 17 29 1 18 33 1 19 35 1 20 27 1 20 34 1 28 21 -2 21 30 1 27 22 -2 36 22 -2 33 23 -2 24 28 1 25 26 1 25 31 1 26 32 1 27 36 1 28 36 1 29 35 1 29 36 1 30 31 1 30 32 1 33 34 1 34 35 1', '36 41 H 13.30 -13.36 C:30 19.41 -7.43 C:26 18.13 -8.95 C:31 19.97 -11.94 C:26 21.90 -11.48 C:18 11.02 -14.12 C:16 13.30 -9.55 O 14.40 -13.96 O 18.22 -8.17 O 12.61 -15.53 C:128 22.97 -7.27 C:128 23.70 -8.43 C:122 21.56 -7.27 C:122 23.03 -9.69 C:18 10.83 -11.01 C:38 15.69 -8.17 C:18 14.52 -8.83 C:37 10.83 -12.43 C:38 12.05 -10.27 C:25 14.52 -13.14 O 18.22 -10.94 O 16.90 -11.73 C:183 13.04 -14.22 C:205 16.98 -8.83 C:145 20.89 -8.49 C:145 21.63 -9.69 C:57 15.69 -12.43 C:92 16.98 -10.27 C:51 14.52 -10.27 N 19.41 -10.21 C:68 19.53 -8.83 C:69 20.71 -10.75 C:46 12.05 -13.14 C:40 13.30 -12.43 C:34 13.30 -11.01 C:59 15.69 -11.01 34 1 -2 2 31 1 3 31 1 4 32 1 5 32 1 33 6 -1 35 7 -1 8 23 2 9 24 2 10 23 1 11 12 2 11 13 1 12 14 1 13 25 2 14 26 2 15 18 1 15 19 1 16 17 1 16 24 1 17 29 1 18 33 1 19 35 1 20 27 1 20 34 1 28 21 -2 21 30 1 27 22 -2 36 22 -2 33 23 -2 24 28 1 25 26 1 25 31 1 26 32 1 27 36 1 28 36 1 29 35 1 29 36 1 30 31 1 30 32 1 33 34 1 34 35 1', 'C29H39NO5', 481.322, 'B', 'tt08_5680_8', 3634, '', '', '1', 1, NULL, NULL),
(14145, '', '13α,15α-Epoxy-14α-hydroxy-abietic acid', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:9]23[CH2:11][CH2:12][C@:13]1(O[C:15]1([CH3:16])[CH3:17])[C@H:14](O)[C:8]2=[CH:7][CH2:6][C@@:5]4([H])[C@:4]([CH3:19])([C:18](=O)O)[CH2:3][CH2:2][CH2:1][C@:10]34[CH3:20]', '[H][C@]23CC[C@]1(OC1(C)C)[C@H](O)C2=CC[C@@]4([H])[C@](C)(C(=O)O)CCC[C@]34C', '[H][C@:51]23[CH2:19][CH2:27][C@:67]1(O[C:63]1([CH3:22])[CH3:20])[C@H:71](O)[C:138]2=[CH:124][CH2:26][C@@:45]4([H])[C@:47]([CH3:17])([C:184](=O)O)[CH2:38][CH2:18][CH2:38][C@:35]34[CH3:14]', '26 29 H 17.03 -11.63 H 15.80 -13.71 C:16 19.14 -6.96 C:17 21.14 -6.89 C:19 13.50 -14.48 C:20 15.80 -9.89 O 16.91 -14.31 O 15.10 -15.92 O 20.74 -11.35 C:7 18.27 -12.80 C:2 13.31 -11.35 C:6 17.03 -13.51 C:3 13.31 -12.80 C:1 14.55 -10.62 C:11 17.03 -9.16 C:12 18.27 -8.48 O 20.93 -9.16 C:18 15.54 -14.58 C:8 18.27 -11.35 C:14 19.52 -10.62 C:15 20.17 -7.92 C:9 17.03 -10.62 C:4 14.55 -13.51 C:5 15.80 -12.80 C:10 15.80 -11.35 C:13 19.52 -9.16 22 1 -2 24 2 -2 3 21 1 4 21 1 23 5 -1 25 6 -1 7 18 2 8 18 1 20 9 -2 10 12 1 10 19 2 11 13 1 11 14 1 12 24 1 13 23 1 14 25 1 15 16 1 15 22 1 16 26 1 17 21 1 26 17 -2 23 18 -2 19 20 1 19 22 1 20 26 1 26 21 -1 22 25 1 23 24 1 24 25 1', '26 29 H 17.03 -11.63 H 15.80 -13.71 C 19.14 -6.96 C 21.14 -6.89 C 13.50 -14.48 C 15.80 -9.89 O 16.91 -14.31 O 15.10 -15.92 O 20.74 -11.35 C 18.27 -12.80 C 13.31 -11.35 C 17.03 -13.51 C 13.31 -12.80 C 14.55 -10.62 C 17.03 -9.16 C 18.27 -8.48 O 20.93 -9.16 C 15.54 -14.58 C 18.27 -11.35 C 19.52 -10.62 C 20.17 -7.92 C 17.03 -10.62 C 14.55 -13.51 C 15.80 -12.80 C 15.80 -11.35 C 19.52 -9.16 22 1 -2 24 2 -2 3 21 1 4 21 1 23 5 -1 25 6 -1 7 18 2 8 18 1 20 9 -2 10 12 1 10 19 2 11 13 1 11 14 1 12 24 1 13 23 1 14 25 1 15 16 1 15 22 1 16 26 1 17 21 1 26 17 -2 23 18 -2 19 20 1 19 22 1 20 26 1 26 21 -1 22 25 1 23 24 1 24 25 1', '26 29 H 17.03 -11.63 H 15.80 -13.71 C:22 19.14 -6.96 C:20 21.14 -6.89 C:17 13.50 -14.48 C:14 15.80 -9.89 O 16.91 -14.31 O 15.10 -15.92 O 20.74 -11.35 C:124 18.27 -12.80 C:18 13.31 -11.35 C:26 17.03 -13.51 C:38 13.31 -12.80 C:38 14.55 -10.62 C:19 17.03 -9.16 C:27 18.27 -8.48 O 20.93 -9.16 C:184 15.54 -14.58 C:138 18.27 -11.35 C:71 19.52 -10.62 C:63 20.17 -7.92 C:51 17.03 -10.62 C:47 14.55 -13.51 C:45 15.80 -12.80 C:35 15.80 -11.35 C:67 19.52 -9.16 22 1 -2 24 2 -2 3 21 1 4 21 1 23 5 -1 25 6 -1 7 18 2 8 18 1 20 9 -2 10 12 1 10 19 2 11 13 1 11 14 1 12 24 1 13 23 1 14 25 1 15 16 1 15 22 1 16 26 1 17 21 1 26 17 -2 23 18 -2 19 20 1 19 22 1 20 26 1 26 21 -1 22 25 1 23 24 1 24 25 1', 'C20H30O4', 334.227, 'B', 'tt08_5680_9', 3634, '', '', '1', 1, NULL, NULL),
(14146, '', '1-S-(N-Acetyl-cysteine ethyl ester)-2-(1''-hydroxy-1''-methylethyl)cyclohex-2-ene', 'Aliphatics', 'Cycloalkanes', '', '[CH3:1005][CH2:1004]O[C:1003](=O)[C@H:1002]([CH2:1001]S[C@H:1]1[CH2:6][CH2:5][CH2:4][CH:3]=[C:2]1[C:2001]([CH3:2003])([CH3:2002])O)N[C:1103]([CH3:1104])=O', 'CCOC(=O)[C@H](CS[C@H]1CCCC=C1C(C)(C)O)NC(C)=O', '[CH3:14][CH2:62]O[C:171](=O)[C@H:52]([CH2:34]S[C@H:41]1[CH2:26][CH2:21][CH2:27][CH:123]=[C:140]1[C:75]([CH3:30])([CH3:30])O)N[C:170]([CH3:23])=O', '22 22 C:1005 22.10 -10.05 C:1104 16.01 -6.54 C:2003 17.22 -14.25 C:2002 16.01 -16.34 O 14.80 -8.63 O 18.45 -12.15 O 17.22 -15.64 C:3 13.59 -14.94 C:1004 20.89 -10.75 C:4 12.37 -14.25 C:5 12.37 -12.85 C:6 13.59 -12.15 C:1001 16.01 -10.75 N 17.22 -8.65 O 19.67 -10.05 S 16.01 -12.15 C:1103 16.01 -7.94 C:1003 18.45 -10.75 C:2 14.80 -14.25 C:1002 17.22 -10.05 C:1 14.80 -12.85 C:2001 16.01 -14.94 1 9 1 2 17 1 3 22 1 4 22 1 5 17 2 6 18 2 7 22 1 8 10 1 8 19 2 9 15 1 10 11 1 11 12 1 12 21 1 13 16 1 13 20 1 14 17 1 14 20 1 15 18 1 21 16 -2 20 18 -2 19 21 1 19 22 1', '22 22 C 22.10 -10.05 C 16.01 -6.54 C 17.22 -14.25 C 16.01 -16.34 O 14.80 -8.63 O 18.45 -12.15 O 17.22 -15.64 C 13.59 -14.94 C 20.89 -10.75 C 12.37 -14.25 C 12.37 -12.85 C 13.59 -12.15 C 16.01 -10.75 N 17.22 -8.65 O 19.67 -10.05 S 16.01 -12.15 C 16.01 -7.94 C 18.45 -10.75 C 14.80 -14.25 C 17.22 -10.05 C 14.80 -12.85 C 16.01 -14.94 1 9 1 2 17 1 3 22 1 4 22 1 5 17 2 6 18 2 7 22 1 8 10 1 8 19 2 9 15 1 10 11 1 11 12 1 12 21 1 13 16 1 13 20 1 14 17 1 14 20 1 15 18 1 21 16 -2 20 18 -2 19 21 1 19 22 1', '22 22 C:14 22.10 -10.05 C:23 16.01 -6.54 C:30 17.22 -14.25 C:30 16.01 -16.34 O 14.80 -8.63 O 18.45 -12.15 O 17.22 -15.64 C:123 13.59 -14.94 C:62 20.89 -10.75 C:27 12.37 -14.25 C:21 12.37 -12.85 C:26 13.59 -12.15 C:34 16.01 -10.75 N 17.22 -8.65 O 19.67 -10.05 S 16.01 -12.15 C:170 16.01 -7.94 C:171 18.45 -10.75 C:140 14.80 -14.25 C:52 17.22 -10.05 C:41 14.80 -12.85 C:75 16.01 -14.94 1 9 1 2 17 1 3 22 1 4 22 1 5 17 2 6 18 2 7 22 1 8 10 1 8 19 2 9 15 1 10 11 1 11 12 1 12 21 1 13 16 1 13 20 1 14 17 1 14 20 1 15 18 1 21 16 -2 20 18 -2 19 21 1 19 22 1', 'C16H27NO4S', 329.242, 'C', 'tt08_5680_14', 3634, '', '', '1', 1, NULL, NULL),
(14147, '', '2-R-(1''-Hydroxy-1''-methyl-ethyl)-1-R-cyclohexanol', 'Aliphatics', 'Cycloalkanes', '', '[CH3:2003][C:2001]([CH3:2002])(O)[C@H:2]1[CH2:3][CH2:4][CH2:5][CH2:6][C@H:1]1O', 'CC(C)(O)[C@H]1CCCC[C@H]1O', '[CH3:30][C:74]([CH3:24])(O)[C@H:54]1[CH2:25][CH2:28][CH2:26][CH2:36][C@H:73]1O', '11 11 C:2003 19.67 -11.40 C:2002 18.46 -13.51 O 18.46 -9.30 O 19.67 -12.81 C:5 14.83 -10.00 C:4 14.83 -11.40 C:6 16.04 -9.30 C:3 16.04 -12.10 C:1 17.25 -10.00 C:2 17.25 -11.40 C:2001 18.46 -12.10 1 11 1 2 11 1 9 3 -1 4 11 1 5 6 1 5 7 1 6 8 1 7 9 1 8 10 1 9 10 1 10 11 -1', '11 11 C 19.67 -11.40 C 18.46 -13.51 O 18.46 -9.30 O 19.67 -12.81 C 14.83 -10.00 C 14.83 -11.40 C 16.04 -9.30 C 16.04 -12.10 C 17.25 -10.00 C 17.25 -11.40 C 18.46 -12.10 1 11 1 2 11 1 9 3 -1 4 11 1 5 6 1 5 7 1 6 8 1 7 9 1 8 10 1 9 10 1 10 11 -1', '11 11 C:30 19.67 -11.40 C:24 18.46 -13.51 O 18.46 -9.30 O 19.67 -12.81 C:26 14.83 -10.00 C:28 14.83 -11.40 C:36 16.04 -9.30 C:25 16.04 -12.10 C:73 17.25 -10.00 C:54 17.25 -11.40 C:74 18.46 -12.10 1 11 1 2 11 1 9 3 -1 4 11 1 5 6 1 5 7 1 6 8 1 7 9 1 8 10 1 9 10 1 10 11 -1', 'C9H18O2', 158.095, 'C', 'tt08_5680_15', 3634, '', '', '1', 1, NULL, NULL),
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(14149, '', 'Methyl 12a-chloroabietate', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@:9]12[CH2:11][C@H:12](Cl)[C:13]([CH:15]([CH3:17])[CH3:16])=[CH:14][C:8]1=[CH:7][CH2:6][C@@:5]3([H])[C@:4]([CH3:19])([C:18](=O)O[CH3:18001])[CH2:3][CH2:2][CH2:1][C@:10]23[CH3:20]', '[H][C@]12C[C@H](Cl)C(C(C)C)=CC1=CC[C@@]3([H])[C@](C)(C(=O)OC)CCC[C@]23C', '[H][C@:44]12[CH2:32][C@H:58](Cl)[C:142]([CH:32]([CH3:22])[CH3:21])=[CH:127][C:134]1=[CH:125][CH2:26][C@@:45]3([H])[C@:46]([CH3:17])([C:178](=O)O[CH3:52])[CH2:37][CH2:18][CH2:38][C@:34]23[CH3:14]', '26 28 H 16.60 -11.02 H 15.37 -13.12 C:18001 15.64 -16.36 C:17 21.58 -8.56 C:16 20.33 -6.45 C:19 13.07 -13.89 C:20 15.37 -9.29 O 16.48 -13.73 Cl 17.84 -6.45 C:7 17.84 -12.20 C:14 19.09 -10.02 C:2 12.89 -10.76 C:6 16.60 -12.91 C:3 12.89 -12.20 C:1 14.12 -10.02 C:11 16.60 -8.56 O 14.68 -15.33 C:18 15.11 -13.99 C:8 17.84 -10.76 C:13 19.09 -8.56 C:15 20.33 -7.88 C:12 17.84 -7.88 C:9 16.60 -10.02 C:4 14.12 -12.91 C:5 15.37 -12.20 C:10 15.37 -10.76 23 1 -2 25 2 -2 3 17 1 4 21 1 5 21 1 24 6 -1 26 7 -1 8 18 2 22 9 -2 10 13 1 10 19 2 11 19 1 11 20 2 12 14 1 12 15 1 13 25 1 14 24 1 15 26 1 16 22 1 16 23 1 17 18 1 24 18 -2 19 23 1 20 21 1 20 22 1 23 26 1 24 25 1 25 26 1', '26 28 H 16.60 -11.02 H 15.37 -13.12 C 15.64 -16.36 C 21.58 -8.56 C 20.33 -6.45 C 13.07 -13.89 C 15.37 -9.29 O 16.48 -13.73 Cl 17.84 -6.45 C 17.84 -12.20 C 19.09 -10.02 C 12.89 -10.76 C 16.60 -12.91 C 12.89 -12.20 C 14.12 -10.02 C 16.60 -8.56 O 14.68 -15.33 C 15.11 -13.99 C 17.84 -10.76 C 19.09 -8.56 C 20.33 -7.88 C 17.84 -7.88 C 16.60 -10.02 C 14.12 -12.91 C 15.37 -12.20 C 15.37 -10.76 23 1 -2 25 2 -2 3 17 1 4 21 1 5 21 1 24 6 -1 26 7 -1 8 18 2 22 9 -2 10 13 1 10 19 2 11 19 1 11 20 2 12 14 1 12 15 1 13 25 1 14 24 1 15 26 1 16 22 1 16 23 1 17 18 1 24 18 -2 19 23 1 20 21 1 20 22 1 23 26 1 24 25 1 25 26 1', '26 28 H 16.60 -11.02 H 15.37 -13.12 C:52 15.64 -16.36 C:22 21.58 -8.56 C:21 20.33 -6.45 C:17 13.07 -13.89 C:14 15.37 -9.29 O 16.48 -13.73 Cl 17.84 -6.45 C:125 17.84 -12.20 C:127 19.09 -10.02 C:18 12.89 -10.76 C:26 16.60 -12.91 C:37 12.89 -12.20 C:38 14.12 -10.02 C:32 16.60 -8.56 O 14.68 -15.33 C:178 15.11 -13.99 C:134 17.84 -10.76 C:142 19.09 -8.56 C:32 20.33 -7.88 C:58 17.84 -7.88 C:44 16.60 -10.02 C:46 14.12 -12.91 C:45 15.37 -12.20 C:34 15.37 -10.76 23 1 -2 25 2 -2 3 17 1 4 21 1 5 21 1 24 6 -1 26 7 -1 8 18 2 22 9 -2 10 13 1 10 19 2 11 19 1 11 20 2 12 14 1 12 15 1 13 25 1 14 24 1 15 26 1 16 22 1 16 23 1 17 18 1 24 18 -2 19 23 1 20 21 1 20 22 1 23 26 1 24 25 1 25 26 1', 'C21H31ClO2', 350.692, 'C', 'ttl07_989_16', 3635, '', '', '1', 1, NULL, NULL),
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(14163, '(-)-Cubebol', '', 'Terpenoids', 'Sesquiterpenoids', 'Cadinanes', '[H][C@:6]12[C@H:7]([CH:11]([CH3:13])[CH3:12])[CH2:8][CH2:9][C@@H:10]([CH3:15])[C:1]13[CH2:2][CH2:3][C@:4]([CH3:14])(O)[CH:5]23', '[H][C@]12[C@H](C(C)C)CC[C@@H](C)C13CC[C@](C)(O)C23', '[H][C@:23]12[C@H:44]([CH:34]([CH3:20])[CH3:19])[CH2:27][CH2:32][C@@H:31]([CH3:20])[C:33]13[CH2:30][CH2:36][C@:80]([CH3:28])(O)[CH:39]23', '17 19 H 17.90 -12.74 C:13 20.28 -14.51 C:12 17.90 -14.51 C:15 19.09 -8.33 C:14 15.17 -13.04 O 14.25 -11.39 C:9 20.28 -10.39 C:8 20.28 -11.75 C:3 15.53 -10.39 C:2 16.72 -9.71 C:11 19.09 -13.83 C:10 19.09 -9.71 C:7 19.09 -12.45 C:5 16.72 -12.45 C:4 15.53 -11.75 C:6 17.90 -11.75 C:1 17.90 -10.39 16 1 -1 2 11 1 3 11 1 12 4 -2 15 5 -2 15 6 -1 7 8 1 7 12 1 8 13 1 9 10 1 9 15 1 10 17 1 13 11 -1 12 17 1 13 16 1 14 15 1 14 16 1 14 17 1 16 17 1', '17 19 H 17.90 -12.74 C 20.28 -14.51 C 17.90 -14.51 C 19.09 -8.33 C 15.17 -13.04 O 14.25 -11.39 C 20.28 -10.39 C 20.28 -11.75 C 15.53 -10.39 C 16.72 -9.71 C 19.09 -13.83 C 19.09 -9.71 C 19.09 -12.45 C 16.72 -12.45 C 15.53 -11.75 C 17.90 -11.75 C 17.90 -10.39 16 1 -1 2 11 1 3 11 1 12 4 -2 15 5 -2 15 6 -1 7 8 1 7 12 1 8 13 1 9 10 1 9 15 1 10 17 1 13 11 -1 12 17 1 13 16 1 14 15 1 14 16 1 14 17 1 16 17 1', '17 19 H 17.90 -12.74 C:20 20.28 -14.51 C:19 17.90 -14.51 C:20 19.09 -8.33 C:28 15.17 -13.04 O 14.25 -11.39 C:32 20.28 -10.39 C:27 20.28 -11.75 C:36 15.53 -10.39 C:30 16.72 -9.71 C:34 19.09 -13.83 C:31 19.09 -9.71 C:44 19.09 -12.45 C:39 16.72 -12.45 C:80 15.53 -11.75 C:23 17.90 -11.75 C:33 17.90 -10.39 16 1 -1 2 11 1 3 11 1 12 4 -2 15 5 -2 15 6 -1 7 8 1 7 12 1 8 13 1 9 10 1 9 15 1 10 17 1 13 11 -1 12 17 1 13 16 1 14 15 1 14 16 1 14 17 1 16 17 1', 'C15H26O', 222.168, 'C', 'bbb08_611_2', 3638, '', '', '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
(14164, 'Fortunin A', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C@H:7](O)[c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O[C:12001]([CH3:12002])=O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23C[C@H](O)c1cc(C(C)C)c(OC(C)=O)cc1[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:49]23[CH2:30][C@H:71](O)[c:136]1[cH:126][c:138]([CH:27]([CH3:23])[CH3:23])[c:148](O[C:170]([CH3:21])=O)[cH:118][c:149]1[C@@:38]2([CH3:25])[CH2:39][CH2:19][CH2:41][C@:33]3([CH3:33])[CH3:22]', '26 28 H 15.42 -15.32 C:12002 16.64 -6.63 C:16 20.33 -8.72 C:17 21.56 -10.82 C:18 15.16 -16.17 C:19 13.15 -16.07 C:20 15.42 -11.54 O 15.42 -8.72 O 19.08 -15.11 C:14 19.08 -12.26 C:11 16.64 -10.82 C:2 12.96 -12.99 C:3 12.96 -14.41 C:1 14.18 -12.26 C:6 16.64 -15.11 O 17.87 -8.72 C:12001 16.64 -8.03 C:12 17.87 -10.15 C:13 19.08 -10.82 C:8 17.87 -12.99 C:9 16.64 -12.26 C:15 20.33 -10.15 C:7 17.87 -14.41 C:4 14.18 -15.11 C:5 15.42 -14.41 C:10 15.42 -12.99 25 1 -2 2 17 1 3 22 1 4 22 1 24 5 -2 24 6 -1 26 7 -1 8 17 2 23 9 -1 10 19 2 10 20 1 11 18 2 11 21 1 12 13 1 12 14 1 13 24 1 14 26 1 15 23 1 15 25 1 16 17 1 16 18 1 18 19 1 19 22 1 20 21 2 20 23 1 21 26 1 24 25 1 25 26 1', '26 28 H 15.42 -15.32 C 16.64 -6.63 C 20.33 -8.72 C 21.56 -10.82 C 15.16 -16.17 C 13.15 -16.07 C 15.42 -11.54 O 15.42 -8.72 O 19.08 -15.11 C 19.08 -12.26 C 16.64 -10.82 C 12.96 -12.99 C 12.96 -14.41 C 14.18 -12.26 C 16.64 -15.11 O 17.87 -8.72 C 16.64 -8.03 C 17.87 -10.15 C 19.08 -10.82 C 17.87 -12.99 C 16.64 -12.26 C 20.33 -10.15 C 17.87 -14.41 C 14.18 -15.11 C 15.42 -14.41 C 15.42 -12.99 25 1 -2 2 17 1 3 22 1 4 22 1 24 5 -2 24 6 -1 26 7 -1 8 17 2 23 9 -1 10 19 2 10 20 1 11 18 2 11 21 1 12 13 1 12 14 1 13 24 1 14 26 1 15 23 1 15 25 1 16 17 1 16 18 1 18 19 1 19 22 1 20 21 2 20 23 1 21 26 1 24 25 1 25 26 1', '26 28 H 15.42 -15.32 C:21 16.64 -6.63 C:23 20.33 -8.72 C:23 21.56 -10.82 C:33 15.16 -16.17 C:22 13.15 -16.07 C:25 15.42 -11.54 O 15.42 -8.72 O 19.08 -15.11 C:126 19.08 -12.26 C:118 16.64 -10.82 C:19 12.96 -12.99 C:41 12.96 -14.41 C:39 14.18 -12.26 C:30 16.64 -15.11 O 17.87 -8.72 C:170 16.64 -8.03 C:148 17.87 -10.15 C:138 19.08 -10.82 C:136 17.87 -12.99 C:149 16.64 -12.26 C:27 20.33 -10.15 C:71 17.87 -14.41 C:33 14.18 -15.11 C:49 15.42 -14.41 C:38 15.42 -12.99 25 1 -2 2 17 1 3 22 1 4 22 1 24 5 -2 24 6 -1 26 7 -1 8 17 2 23 9 -1 10 19 2 10 20 1 11 18 2 11 21 1 12 13 1 12 14 1 13 24 1 14 26 1 15 23 1 15 25 1 16 17 1 16 18 1 18 19 1 19 22 1 20 21 2 20 23 1 21 26 1 24 25 1 25 26 1', 'C22H32O3', 344.242, 'C', 'np08_1242_1', 3639, '', '', '1', 1, NULL, NULL),
(14165, 'Fortunin B', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O)[c:8]1[cH:14][c:13]([CH:15]([CH3:17])[CH3:16])[c:12](O[C:12001]([CH3:12002])=O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@@H](OC(C)=O)[C@H](O)c1cc(C(C)C)c(OC(C)=O)cc1[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:52]23[C@@H:79](O[C:173]([CH3:21])=O)[C@H:77](O)[c:133]1[cH:127][c:138]([CH:27]([CH3:23])[CH3:23])[c:148](O[C:170]([CH3:22])=O)[cH:117][c:148]1[C@@:39]2([CH3:26])[CH2:39][CH2:19][CH2:43][C@@:33]3([CH3:22])[CH3:36]', '30 32 H 15.40 -14.14 C:12002 16.61 -5.41 C:6002 17.85 -17.42 C:17 21.56 -9.63 C:16 20.33 -7.52 C:19 13.14 -14.88 C:18 15.14 -14.98 C:20 15.40 -10.35 O 15.40 -7.52 O 19.03 -15.32 O 19.03 -13.93 C:14 19.03 -11.07 C:11 16.61 -9.63 C:2 12.95 -11.80 C:3 12.95 -13.23 C:1 14.17 -11.07 O 17.85 -7.52 O 16.61 -15.32 C:12001 16.61 -6.83 C:6001 17.85 -16.02 C:12 17.85 -8.95 C:13 19.03 -9.63 C:8 17.85 -11.80 C:9 16.61 -11.07 C:15 20.33 -8.95 C:7 17.85 -13.23 C:6 16.61 -13.93 C:4 14.17 -13.93 C:10 15.40 -11.80 C:5 15.40 -13.23 30 1 -2 2 19 1 3 20 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 9 19 2 10 20 2 26 11 -1 12 22 2 12 23 1 13 21 2 13 24 1 14 15 1 14 16 1 15 28 1 16 29 1 17 19 1 17 21 1 18 20 1 27 18 -2 21 22 1 22 25 1 23 24 2 23 26 1 24 29 1 26 27 1 27 30 1 28 30 1 29 30 1', '30 32 H 15.40 -14.14 C 16.61 -5.41 C 17.85 -17.42 C 21.56 -9.63 C 20.33 -7.52 C 13.14 -14.88 C 15.14 -14.98 C 15.40 -10.35 O 15.40 -7.52 O 19.03 -15.32 O 19.03 -13.93 C 19.03 -11.07 C 16.61 -9.63 C 12.95 -11.80 C 12.95 -13.23 C 14.17 -11.07 O 17.85 -7.52 O 16.61 -15.32 C 16.61 -6.83 C 17.85 -16.02 C 17.85 -8.95 C 19.03 -9.63 C 17.85 -11.80 C 16.61 -11.07 C 20.33 -8.95 C 17.85 -13.23 C 16.61 -13.93 C 14.17 -13.93 C 15.40 -11.80 C 15.40 -13.23 30 1 -2 2 19 1 3 20 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 9 19 2 10 20 2 26 11 -1 12 22 2 12 23 1 13 21 2 13 24 1 14 15 1 14 16 1 15 28 1 16 29 1 17 19 1 17 21 1 18 20 1 27 18 -2 21 22 1 22 25 1 23 24 2 23 26 1 24 29 1 26 27 1 27 30 1 28 30 1 29 30 1', '30 32 H 15.40 -14.14 C:22 16.61 -5.41 C:21 17.85 -17.42 C:23 21.56 -9.63 C:23 20.33 -7.52 C:22 13.14 -14.88 C:36 15.14 -14.98 C:26 15.40 -10.35 O 15.40 -7.52 O 19.03 -15.32 O 19.03 -13.93 C:127 19.03 -11.07 C:117 16.61 -9.63 C:19 12.95 -11.80 C:43 12.95 -13.23 C:39 14.17 -11.07 O 17.85 -7.52 O 16.61 -15.32 C:170 16.61 -6.83 C:173 17.85 -16.02 C:148 17.85 -8.95 C:138 19.03 -9.63 C:133 17.85 -11.80 C:148 16.61 -11.07 C:27 20.33 -8.95 C:77 17.85 -13.23 C:79 16.61 -13.93 C:33 14.17 -13.93 C:39 15.40 -11.80 C:52 15.40 -13.23 30 1 -2 2 19 1 3 20 1 4 25 1 5 25 1 28 6 -1 28 7 -2 29 8 -1 9 19 2 10 20 2 26 11 -1 12 22 2 12 23 1 13 21 2 13 24 1 14 15 1 14 16 1 15 28 1 16 29 1 17 19 1 17 21 1 18 20 1 27 18 -2 21 22 1 22 25 1 23 24 2 23 26 1 24 29 1 26 27 1 27 30 1 28 30 1 29 30 1', 'C24H34O5', 402.262, 'C', 'np08_1242_2', 3639, '', '', '1', 1, NULL, NULL),
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(14181, '', '17-Hydroxy-ent-pimara-8(14),15-dien-3-one', 'Terpenoids', 'Diterpenoids', 'Pimaranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@:13]([CH:15]=[CH2:16])([CH2:17]O)[CH:14]=[C:8]1[CH2:7][CH2:6][C@@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[C:3](=O)[CH2:2][CH2:1][C@@:10]23[CH3:20]', '[H][C@@]12CC[C@@](C=C)(CO)C=C1CC[C@@]3([H])[C@@](C)(C)C(=O)CC[C@@]23C', '[H][C@@:51]12[CH2:19][CH2:30][C@@:45]([CH:143]=[CH2:118])([CH2:70]O)[CH:124]=[C:140]1[CH2:35][CH2:23][C@@:55]3([H])[C@@:48]([CH3:22])([CH3:26])[C:217](=O)[CH2:35][CH2:38][C@@:38]23[CH3:14]', '24 26 H 17.38 -12.41 H 16.14 -14.50 C:16 22.03 -11.08 C:19 13.83 -15.27 C:18 15.87 -15.38 C:20 16.14 -10.67 O 12.42 -14.30 O 19.82 -7.49 C:15 21.29 -9.94 C:14 19.88 -11.40 C:17 20.54 -8.69 C:2 13.64 -12.13 C:7 18.64 -13.58 C:6 17.38 -14.30 C:1 14.87 -11.40 C:11 17.38 -9.94 C:12 18.64 -9.25 C:3 13.64 -13.58 C:8 18.64 -12.13 C:4 14.87 -14.30 C:9 17.38 -11.40 C:5 16.14 -13.58 C:10 16.14 -12.13 C:13 19.88 -9.94 21 1 -1 22 2 -2 3 9 2 20 4 -2 20 5 -1 23 6 -2 7 18 2 8 11 1 24 9 -2 10 19 2 10 24 1 24 11 -1 12 15 1 12 18 1 13 14 1 13 19 1 14 22 1 15 23 1 16 17 1 16 21 1 17 24 1 18 20 1 19 21 1 20 22 1 21 23 1 22 23 1', '24 26 H 17.38 -12.41 H 16.14 -14.50 C 22.03 -11.08 C 13.83 -15.27 C 15.87 -15.38 C 16.14 -10.67 O 12.42 -14.30 O 19.82 -7.49 C 21.29 -9.94 C 19.88 -11.40 C 20.54 -8.69 C 13.64 -12.13 C 18.64 -13.58 C 17.38 -14.30 C 14.87 -11.40 C 17.38 -9.94 C 18.64 -9.25 C 13.64 -13.58 C 18.64 -12.13 C 14.87 -14.30 C 17.38 -11.40 C 16.14 -13.58 C 16.14 -12.13 C 19.88 -9.94 21 1 -1 22 2 -2 3 9 2 20 4 -2 20 5 -1 23 6 -2 7 18 2 8 11 1 24 9 -2 10 19 2 10 24 1 24 11 -1 12 15 1 12 18 1 13 14 1 13 19 1 14 22 1 15 23 1 16 17 1 16 21 1 17 24 1 18 20 1 19 21 1 20 22 1 21 23 1 22 23 1', '24 26 H 17.38 -12.41 H 16.14 -14.50 C:118 22.03 -11.08 C:22 13.83 -15.27 C:26 15.87 -15.38 C:14 16.14 -10.67 O 12.42 -14.30 O 19.82 -7.49 C:143 21.29 -9.94 C:124 19.88 -11.40 C:70 20.54 -8.69 C:35 13.64 -12.13 C:35 18.64 -13.58 C:23 17.38 -14.30 C:38 14.87 -11.40 C:19 17.38 -9.94 C:30 18.64 -9.25 C:217 13.64 -13.58 C:140 18.64 -12.13 C:48 14.87 -14.30 C:51 17.38 -11.40 C:55 16.14 -13.58 C:38 16.14 -12.13 C:45 19.88 -9.94 21 1 -1 22 2 -2 3 9 2 20 4 -2 20 5 -1 23 6 -2 7 18 2 8 11 1 24 9 -2 10 19 2 10 24 1 24 11 -1 12 15 1 12 18 1 13 14 1 13 19 1 14 22 1 15 23 1 16 17 1 16 21 1 17 24 1 18 20 1 19 21 1 20 22 1 21 23 1 22 23 1', 'C20H30O2', 302.229, 'C', 'np08_195_5', 3641, '', '', '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
(14182, '', '3α,6β-Dihydroxy-ent-kaur-16-ene', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]2=[CH2:17])[CH2:7][C@@H:6](O)[C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C@H:3](O)[CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@H]2C[C@]1(CC2=C)C[C@@H](O)[C@]4([H])[C@@](C)(C)[C@H](O)CC[C@@]34C', '[H][C@@:55]13[CH2:18][CH2:33][C@H:43]2[CH2:40][C@:44]1([CH2:49][C:155]2=[CH2:104])[CH2:52][C@@H:69](O)[C@:60]4([H])[C@@:39]([CH3:16])([CH3:33])[C@H:79](O)[CH2:27][CH2:39][C@@:41]34[CH3:19]', '24 27 H 17.22 -11.38 H 15.95 -13.51 C:17 22.17 -9.64 C:19 13.72 -14.17 C:18 15.67 -14.26 C:20 15.95 -9.69 O 12.31 -13.18 O 17.22 -14.62 C:2 13.52 -11.11 C:12 18.42 -8.26 C:11 17.20 -8.97 C:1 14.72 -10.38 C:15 20.00 -11.40 C:7 18.42 -12.51 C:14 19.64 -10.38 C:16 20.80 -9.97 C:3 13.52 -12.51 C:6 17.20 -13.23 C:13 19.64 -8.97 C:9 17.20 -10.38 C:4 14.72 -13.23 C:5 15.95 -12.51 C:10 15.95 -11.11 C:8 18.42 -11.11 20 1 -1 22 2 -1 3 16 2 21 4 -2 21 5 -1 23 6 -2 17 7 -2 18 8 -1 9 12 1 9 17 1 10 11 1 10 19 1 11 20 1 12 23 1 13 16 1 13 24 1 14 18 1 14 24 1 19 15 -2 24 15 -2 16 19 1 17 21 1 18 22 1 20 23 1 20 24 1 21 22 1 22 23 1', '24 27 H 17.22 -11.38 H 15.95 -13.51 C 22.17 -9.64 C 13.72 -14.17 C 15.67 -14.26 C 15.95 -9.69 O 12.31 -13.18 O 17.22 -14.62 C 13.52 -11.11 C 18.42 -8.26 C 17.20 -8.97 C 14.72 -10.38 C 20.00 -11.40 C 18.42 -12.51 C 19.64 -10.38 C 20.80 -9.97 C 13.52 -12.51 C 17.20 -13.23 C 19.64 -8.97 C 17.20 -10.38 C 14.72 -13.23 C 15.95 -12.51 C 15.95 -11.11 C 18.42 -11.11 20 1 -1 22 2 -1 3 16 2 21 4 -2 21 5 -1 23 6 -2 17 7 -2 18 8 -1 9 12 1 9 17 1 10 11 1 10 19 1 11 20 1 12 23 1 13 16 1 13 24 1 14 18 1 14 24 1 19 15 -2 24 15 -2 16 19 1 17 21 1 18 22 1 20 23 1 20 24 1 21 22 1 22 23 1', '24 27 H 17.22 -11.38 H 15.95 -13.51 C:104 22.17 -9.64 C:16 13.72 -14.17 C:33 15.67 -14.26 C:19 15.95 -9.69 O 12.31 -13.18 O 17.22 -14.62 C:27 13.52 -11.11 C:33 18.42 -8.26 C:18 17.20 -8.97 C:39 14.72 -10.38 C:49 20.00 -11.40 C:52 18.42 -12.51 C:40 19.64 -10.38 C:155 20.80 -9.97 C:79 13.52 -12.51 C:69 17.20 -13.23 C:43 19.64 -8.97 C:55 17.20 -10.38 C:39 14.72 -13.23 C:60 15.95 -12.51 C:41 15.95 -11.11 C:44 18.42 -11.11 20 1 -1 22 2 -1 3 16 2 21 4 -2 21 5 -1 23 6 -2 17 7 -2 18 8 -1 9 12 1 9 17 1 10 11 1 10 19 1 11 20 1 12 23 1 13 16 1 13 24 1 14 18 1 14 24 1 19 15 -2 24 15 -2 16 19 1 17 21 1 18 22 1 20 23 1 20 24 1 21 22 1 22 23 1', 'C20H32O2', 304.229, 'C', 'np08_195_6', 3641, '', '', '1', 1, NULL, NULL),
(14183, '', '7β-Hydroxy-ent-abieta-8(14),13(15)-dien-16,12-olide', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:12]12[CH2:11][C@:9]3([H])[C:8](=[CH:14][C:13]1=[C:15]([CH3:17])[C:16](=O)O2)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@:4]([CH3:18])([CH3:19])[CH2:3][CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]12C[C@]3([H])C(=CC1=C(C)C(=O)O2)[C@@H](O)C[C@]4([H])[C@](C)(C)CCC[C@@]34C', '[H][C@@:76]12[CH2:27][C@:47]3([H])[C:151](=[CH:116][C:155]1=[C:119]([CH3:9])[C:175](=O)O2)[C@@H:72](O)[CH2:31][C@:47]4([H])[C@:33]([CH3:34])([CH3:22])[CH2:40][CH2:19][CH2:42][C@@:42]34[CH3:16]', '26 29 H 17.97 -10.83 H 16.71 -12.90 H 15.45 -15.03 C:17 21.63 -9.73 C:18 15.18 -15.92 C:19 13.13 -15.82 C:20 15.45 -11.15 O 20.33 -6.96 O 19.19 -14.76 C:14 19.19 -11.89 C:2 12.92 -12.63 C:3 12.92 -14.09 C:1 14.18 -11.89 C:6 16.71 -14.83 C:11 16.71 -10.42 O 18.25 -8.35 C:15 20.25 -9.46 C:16 19.65 -8.19 C:13 19.19 -10.42 C:8 17.97 -12.63 C:7 17.97 -14.09 C:4 14.18 -14.83 C:12 17.97 -9.73 C:9 16.71 -11.89 C:5 15.45 -14.09 C:10 15.45 -12.63 23 1 -2 24 2 -1 25 3 -1 4 17 1 22 5 -1 22 6 -2 26 7 -2 8 18 2 21 9 -1 10 19 1 10 20 2 11 12 1 11 13 1 12 22 1 13 26 1 14 21 1 14 25 1 15 23 1 15 24 1 16 18 1 16 23 1 17 18 1 17 19 2 19 23 1 20 21 1 20 24 1 22 25 1 24 26 1 25 26 1', '26 29 H 17.97 -10.83 H 16.71 -12.90 H 15.45 -15.03 C 21.63 -9.73 C 15.18 -15.92 C 13.13 -15.82 C 15.45 -11.15 O 20.33 -6.96 O 19.19 -14.76 C 19.19 -11.89 C 12.92 -12.63 C 12.92 -14.09 C 14.18 -11.89 C 16.71 -14.83 C 16.71 -10.42 O 18.25 -8.35 C 20.25 -9.46 C 19.65 -8.19 C 19.19 -10.42 C 17.97 -12.63 C 17.97 -14.09 C 14.18 -14.83 C 17.97 -9.73 C 16.71 -11.89 C 15.45 -14.09 C 15.45 -12.63 23 1 -2 24 2 -1 25 3 -1 4 17 1 22 5 -1 22 6 -2 26 7 -2 8 18 2 21 9 -1 10 19 1 10 20 2 11 12 1 11 13 1 12 22 1 13 26 1 14 21 1 14 25 1 15 23 1 15 24 1 16 18 1 16 23 1 17 18 1 17 19 2 19 23 1 20 21 1 20 24 1 22 25 1 24 26 1 25 26 1', '26 29 H 17.97 -10.83 H 16.71 -12.90 H 15.45 -15.03 C:9 21.63 -9.73 C:34 15.18 -15.92 C:22 13.13 -15.82 C:16 15.45 -11.15 O 20.33 -6.96 O 19.19 -14.76 C:116 19.19 -11.89 C:19 12.92 -12.63 C:40 12.92 -14.09 C:42 14.18 -11.89 C:31 16.71 -14.83 C:27 16.71 -10.42 O 18.25 -8.35 C:119 20.25 -9.46 C:175 19.65 -8.19 C:155 19.19 -10.42 C:151 17.97 -12.63 C:72 17.97 -14.09 C:33 14.18 -14.83 C:76 17.97 -9.73 C:47 16.71 -11.89 C:47 15.45 -14.09 C:42 15.45 -12.63 23 1 -2 24 2 -1 25 3 -1 4 17 1 22 5 -1 22 6 -2 26 7 -2 8 18 2 21 9 -1 10 19 1 10 20 2 11 12 1 11 13 1 12 22 1 13 26 1 14 21 1 14 25 1 15 23 1 15 24 1 16 18 1 16 23 1 17 18 1 17 19 2 19 23 1 20 21 1 20 24 1 22 25 1 24 26 1 25 26 1', 'C20H28O3', 316.236, 'C', 'np08_195_7', 3641, '', '', '1', 1, NULL, NULL),
(14184, '(+)-7-Deoxynimbidiol', '', 'Terpenoids', 'Diterpenoids', 'Podocarpanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13](O)[c:12](O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23CCc1cc(O)c(O)cc1[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:51]23[CH2:20][CH2:30][c:128]1[cH:115][c:141](O)[c:142](O)[cH:112][c:144]1[C@@:38]2([CH3:25])[CH2:39][CH2:19][CH2:42][C@@:34]3([CH3:22])[CH3:34]', '20 22 H 16.04 -14.26 C:19 13.77 -15.02 C:18 15.78 -15.12 C:20 16.04 -10.47 O 20.91 -9.01 O 18.50 -7.68 C:14 19.73 -11.19 C:11 17.27 -9.75 C:2 13.58 -11.92 C:7 18.50 -13.35 C:3 13.58 -13.35 C:1 14.80 -11.19 C:6 17.27 -14.05 C:13 19.73 -9.75 C:12 18.50 -9.08 C:8 18.50 -11.92 C:9 17.27 -11.19 C:4 14.80 -14.05 C:5 16.04 -13.35 C:10 16.04 -11.92 19 1 -2 18 2 -1 18 3 -2 20 4 -1 5 14 1 6 15 1 7 14 2 7 16 1 8 15 2 8 17 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 19 1 14 15 1 16 17 2 17 20 1 18 19 1 19 20 1', '20 22 H 16.04 -14.26 C 13.77 -15.02 C 15.78 -15.12 C 16.04 -10.47 O 20.91 -9.01 O 18.50 -7.68 C 19.73 -11.19 C 17.27 -9.75 C 13.58 -11.92 C 18.50 -13.35 C 13.58 -13.35 C 14.80 -11.19 C 17.27 -14.05 C 19.73 -9.75 C 18.50 -9.08 C 18.50 -11.92 C 17.27 -11.19 C 14.80 -14.05 C 16.04 -13.35 C 16.04 -11.92 19 1 -2 18 2 -1 18 3 -2 20 4 -1 5 14 1 6 15 1 7 14 2 7 16 1 8 15 2 8 17 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 19 1 14 15 1 16 17 2 17 20 1 18 19 1 19 20 1', '20 22 H 16.04 -14.26 C:22 13.77 -15.02 C:34 15.78 -15.12 C:25 16.04 -10.47 O 20.91 -9.01 O 18.50 -7.68 C:115 19.73 -11.19 C:112 17.27 -9.75 C:19 13.58 -11.92 C:30 18.50 -13.35 C:42 13.58 -13.35 C:39 14.80 -11.19 C:20 17.27 -14.05 C:141 19.73 -9.75 C:142 18.50 -9.08 C:128 18.50 -11.92 C:144 17.27 -11.19 C:34 14.80 -14.05 C:51 16.04 -13.35 C:38 16.04 -11.92 19 1 -2 18 2 -1 18 3 -2 20 4 -1 5 14 1 6 15 1 7 14 2 7 16 1 8 15 2 8 17 1 9 11 1 9 12 1 10 13 1 10 16 1 11 18 1 12 20 1 13 19 1 14 15 1 16 17 2 17 20 1 18 19 1 19 20 1', 'C17H24O2', 260.189, 'C', 'bmcl06_786_1', 3642, '', '', '1', 1, NULL, NULL),
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(14192, 'Pedunculatic acid A', '(4R,5a,7a)-7-Ethoxy-9b,13b-dioxyabiet-8(14)-en-18-oic acid', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]34[CH2:6][C@@H:7](O[CH2:7001][CH3:7002])[C:8]1=[CH:14][C@@:13]2([CH:15]([CH3:17])[CH3:16])[CH2:12][CH2:11][C@@:9]1(OO2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[C:18](=O)O', '[H][C@@]34C[C@@H](OCC)C1=C[C@@]2(C(C)C)CC[C@@]1(OO2)[C@@]3(C)CCC[C@@]4(C)C(=O)O', '[H][C@@:38]34[CH2:28][C@@H:72](O[CH2:64][CH3:15])[C:145]1=[CH:129][C@@:80]2([CH:32]([CH3:17])[CH3:17])[CH2:27][CH2:24][C@@:82]1(OO2)[C@@:39]3([CH3:19])[CH2:33][CH2:17][CH2:37][C@@:47]4([CH3:17])[C:184](=O)O', '28 31 H 15.35 -13.65 C:7002 21.56 -13.44 C:17 21.62 -9.09 C:16 20.37 -6.94 C:19 13.04 -14.43 C:20 15.35 -9.81 O 16.49 -14.27 O 14.66 -15.90 C:14 19.10 -10.56 C:7001 20.32 -12.73 C:2 12.85 -11.29 C:3 12.85 -12.73 C:1 14.09 -10.56 C:12 17.85 -8.40 C:11 16.60 -9.09 C:6 16.60 -13.44 O 19.10 -13.44 O 18.42 -10.10 O 17.43 -9.68 C:18 15.09 -14.53 C:8 17.85 -11.29 C:15 20.37 -8.40 C:7 17.85 -12.73 C:4 14.09 -13.44 C:5 15.35 -12.73 C:10 15.35 -11.29 C:13 19.10 -9.09 C:9 16.60 -10.56 25 1 -2 2 10 1 3 22 1 4 22 1 24 5 -1 26 6 -1 7 20 2 8 20 1 9 21 2 9 27 1 10 17 1 11 12 1 11 13 1 12 24 1 13 26 1 14 15 1 14 27 1 15 28 1 16 23 1 16 25 1 23 17 -2 18 19 1 27 18 -1 28 19 -1 24 20 -2 21 23 1 21 28 1 22 27 1 24 25 1 25 26 1 26 28 1', '28 31 H 15.35 -13.65 C 21.56 -13.44 C 21.62 -9.09 C 20.37 -6.94 C 13.04 -14.43 C 15.35 -9.81 O 16.49 -14.27 O 14.66 -15.90 C 19.10 -10.56 C 20.32 -12.73 C 12.85 -11.29 C 12.85 -12.73 C 14.09 -10.56 C 17.85 -8.40 C 16.60 -9.09 C 16.60 -13.44 O 19.10 -13.44 O 18.42 -10.10 O 17.43 -9.68 C 15.09 -14.53 C 17.85 -11.29 C 20.37 -8.40 C 17.85 -12.73 C 14.09 -13.44 C 15.35 -12.73 C 15.35 -11.29 C 19.10 -9.09 C 16.60 -10.56 25 1 -2 2 10 1 3 22 1 4 22 1 24 5 -1 26 6 -1 7 20 2 8 20 1 9 21 2 9 27 1 10 17 1 11 12 1 11 13 1 12 24 1 13 26 1 14 15 1 14 27 1 15 28 1 16 23 1 16 25 1 23 17 -2 18 19 1 27 18 -1 28 19 -1 24 20 -2 21 23 1 21 28 1 22 27 1 24 25 1 25 26 1 26 28 1', '28 31 H 15.35 -13.65 C:15 21.56 -13.44 C:17 21.62 -9.09 C:17 20.37 -6.94 C:17 13.04 -14.43 C:19 15.35 -9.81 O 16.49 -14.27 O 14.66 -15.90 C:129 19.10 -10.56 C:64 20.32 -12.73 C:17 12.85 -11.29 C:37 12.85 -12.73 C:33 14.09 -10.56 C:27 17.85 -8.40 C:24 16.60 -9.09 C:28 16.60 -13.44 O 19.10 -13.44 O 18.42 -10.10 O 17.43 -9.68 C:184 15.09 -14.53 C:145 17.85 -11.29 C:32 20.37 -8.40 C:72 17.85 -12.73 C:47 14.09 -13.44 C:38 15.35 -12.73 C:39 15.35 -11.29 C:80 19.10 -9.09 C:82 16.60 -10.56 25 1 -2 2 10 1 3 22 1 4 22 1 24 5 -1 26 6 -1 7 20 2 8 20 1 9 21 2 9 27 1 10 17 1 11 12 1 11 13 1 12 24 1 13 26 1 14 15 1 14 27 1 15 28 1 16 23 1 16 25 1 23 17 -2 18 19 1 27 18 -1 28 19 -1 24 20 -2 21 23 1 21 28 1 22 27 1 24 25 1 25 26 1 26 28 1', 'C22H34O5', 378.24, 'C', 'hca06_1017_1', 3645, '', '', '1', 1, NULL, NULL),
(14193, 'Pedunculatic acid B', '(4S,5a,12b)-8b,14b-Epoxy-12-hydroxy-11-oxototaran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Totaranes', '[H][C@@:5]34[CH2:6][CH2:7][C@@:8]12O[C@@:14]1([CH:15]([CH3:17])[CH3:16])[CH2:13][C@H:12](O)[C:11](=O)[CH:9]2[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]4([CH3:18])[C:19](=O)O', '[H][C@@]34CC[C@@]12O[C@@]1(C(C)C)C[C@H](O)C(=O)C2[C@@]3(C)CCC[C@]4(C)C(=O)O', '[H][C@@:49]34[CH2:22][CH2:30][C@@:68]12O[C@@:62]1([CH:35]([CH3:18])[CH3:18])[CH2:35][C@H:73](O)[C:210](=O)[CH:62]2[C@@:43]3([CH3:22])[CH2:32][CH2:20][CH2:36][C@:48]4([CH3:28])[C:181](=O)O', '26 29 H 16.00 -13.65 C:17 20.92 -12.68 C:16 22.11 -10.60 C:18 15.75 -14.52 C:20 16.00 -9.86 O 12.39 -14.03 O 16.06 -8.42 O 14.01 -15.78 O 18.48 -7.09 C:2 13.53 -11.33 C:3 13.53 -12.74 C:6 17.24 -13.44 C:1 14.76 -10.60 C:7 18.48 -12.74 C:13 19.71 -9.15 O 18.48 -9.94 C:19 13.72 -14.42 C:11 17.24 -9.15 C:15 20.92 -11.33 C:12 18.48 -8.47 C:9 17.24 -10.60 C:5 16.00 -12.74 C:4 14.76 -13.44 C:10 16.00 -11.33 C:8 18.48 -11.33 C:14 19.71 -10.60 22 1 -2 2 19 1 3 19 1 23 4 -2 24 5 -1 6 17 2 7 18 2 8 17 1 20 9 -1 10 11 1 10 13 1 11 23 1 12 14 1 12 22 1 13 24 1 14 25 1 15 20 1 15 26 1 25 16 -1 16 26 1 23 17 -1 18 20 1 18 21 1 26 19 -2 21 24 1 21 25 1 22 23 1 22 24 1 25 26 1', '26 29 H 16.00 -13.65 C 20.92 -12.68 C 22.11 -10.60 C 15.75 -14.52 C 16.00 -9.86 O 12.39 -14.03 O 16.06 -8.42 O 14.01 -15.78 O 18.48 -7.09 C 13.53 -11.33 C 13.53 -12.74 C 17.24 -13.44 C 14.76 -10.60 C 18.48 -12.74 C 19.71 -9.15 O 18.48 -9.94 C 13.72 -14.42 C 17.24 -9.15 C 20.92 -11.33 C 18.48 -8.47 C 17.24 -10.60 C 16.00 -12.74 C 14.76 -13.44 C 16.00 -11.33 C 18.48 -11.33 C 19.71 -10.60 22 1 -2 2 19 1 3 19 1 23 4 -2 24 5 -1 6 17 2 7 18 2 8 17 1 20 9 -1 10 11 1 10 13 1 11 23 1 12 14 1 12 22 1 13 24 1 14 25 1 15 20 1 15 26 1 25 16 -1 16 26 1 23 17 -1 18 20 1 18 21 1 26 19 -2 21 24 1 21 25 1 22 23 1 22 24 1 25 26 1', '26 29 H 16.00 -13.65 C:18 20.92 -12.68 C:18 22.11 -10.60 C:28 15.75 -14.52 C:22 16.00 -9.86 O 12.39 -14.03 O 16.06 -8.42 O 14.01 -15.78 O 18.48 -7.09 C:20 13.53 -11.33 C:36 13.53 -12.74 C:22 17.24 -13.44 C:32 14.76 -10.60 C:30 18.48 -12.74 C:35 19.71 -9.15 O 18.48 -9.94 C:181 13.72 -14.42 C:210 17.24 -9.15 C:35 20.92 -11.33 C:73 18.48 -8.47 C:62 17.24 -10.60 C:49 16.00 -12.74 C:48 14.76 -13.44 C:43 16.00 -11.33 C:68 18.48 -11.33 C:62 19.71 -10.60 22 1 -2 2 19 1 3 19 1 23 4 -2 24 5 -1 6 17 2 7 18 2 8 17 1 20 9 -1 10 11 1 10 13 1 11 23 1 12 14 1 12 22 1 13 24 1 14 25 1 15 20 1 15 26 1 25 16 -1 16 26 1 23 17 -1 18 20 1 18 21 1 26 19 -2 21 24 1 21 25 1 22 23 1 22 24 1 25 26 1', 'C20H30O5', 350.219, 'P', 'hca06_1017_2', 3645, '', '', '1', 1, NULL, NULL),
(14194, 'Salviamine A', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:18][c:4]1[cH:3][cH:2][cH:1][c:10]4[c:5]1[cH:6][cH:7][c:8]5[c:14]2o[cH:16][c:15]([CH3:17])[c:13]2[c:12]3n[cH:20]o[c:11]3[c:9]45', 'Cc1cccc4c1ccc5c2occ(C)c2c3ncoc3c45', '[CH3:20][c:135]1[cH:128][cH:127][cH:125][c:128]4[c:131]1[cH:123][cH:119][c:118]5[c:150]2o[cH:142][c:117]([CH3:9])[c:106]2[c:132]3n[cH:152]o[c:144]3[c:114]45', '22 26 C:18 14.30 -15.35 C:17 20.96 -7.98 C:2 13.11 -11.86 C:3 13.11 -13.26 C:20 16.34 -7.50 C:1 14.30 -11.13 C:6 16.77 -13.96 C:7 17.97 -13.26 C:16 21.33 -10.42 N 17.72 -7.68 O 15.76 -8.76 O 20.52 -11.55 C:4 14.30 -13.96 C:15 20.52 -9.30 C:5 15.55 -13.26 C:10 15.55 -11.86 C:8 17.97 -11.86 C:12 17.97 -9.04 C:14 19.19 -11.13 C:11 16.77 -9.71 C:13 19.19 -9.71 C:9 16.77 -11.13 1 13 1 2 14 1 3 4 2 3 6 1 4 13 1 5 10 2 5 11 1 6 16 2 7 8 2 7 15 1 8 17 1 9 12 1 9 14 2 10 18 1 11 20 1 12 19 1 13 15 2 14 21 1 15 16 1 16 22 1 17 19 1 17 22 2 18 20 2 18 21 1 19 21 2 20 22 1', '22 26 C 14.30 -15.35 C 20.96 -7.98 C 13.11 -11.86 C 13.11 -13.26 C 16.34 -7.50 C 14.30 -11.13 C 16.77 -13.96 C 17.97 -13.26 C 21.33 -10.42 N 17.72 -7.68 O 15.76 -8.76 O 20.52 -11.55 C 14.30 -13.96 C 20.52 -9.30 C 15.55 -13.26 C 15.55 -11.86 C 17.97 -11.86 C 17.97 -9.04 C 19.19 -11.13 C 16.77 -9.71 C 19.19 -9.71 C 16.77 -11.13 1 13 1 2 14 1 3 4 2 3 6 1 4 13 1 5 10 2 5 11 1 6 16 2 7 8 2 7 15 1 8 17 1 9 12 1 9 14 2 10 18 1 11 20 1 12 19 1 13 15 2 14 21 1 15 16 1 16 22 1 17 19 1 17 22 2 18 20 2 18 21 1 19 21 2 20 22 1', '22 26 C:20 14.30 -15.35 C:9 20.96 -7.98 C:127 13.11 -11.86 C:128 13.11 -13.26 C:152 16.34 -7.50 C:125 14.30 -11.13 C:123 16.77 -13.96 C:119 17.97 -13.26 C:142 21.33 -10.42 N 17.72 -7.68 O 15.76 -8.76 O 20.52 -11.55 C:135 14.30 -13.96 C:117 20.52 -9.30 C:131 15.55 -13.26 C:128 15.55 -11.86 C:118 17.97 -11.86 C:132 17.97 -9.04 C:150 19.19 -11.13 C:144 16.77 -9.71 C:106 19.19 -9.71 C:114 16.77 -11.13 1 13 1 2 14 1 3 4 2 3 6 1 4 13 1 5 10 2 5 11 1 6 16 2 7 8 2 7 15 1 8 17 1 9 12 1 9 14 2 10 18 1 11 20 1 12 19 1 13 15 2 14 21 1 15 16 1 16 22 1 17 19 1 17 22 2 18 20 2 18 21 1 19 21 2 20 22 1', 'C19H13NO2', 287.209, 'C', 'np06_93_1', 3646, '', '', '1', 1, NULL, NULL),
(14195, 'Salviamine B', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:17][C:15](=O)[c:13]3[c:14](O)[c:8]2[cH:7][cH:6][c:5]1[c:4]([CH3:18])[cH:3][cH:2][cH:1][c:10]1[c:9]2[c:11]4o[cH:20]n[c:12]34', 'CC(=O)c3c(O)c2ccc1c(C)cccc1c2c4ocnc34', '[CH3:32][C:203](=O)[c:107]3[c:161](O)[c:122]2[cH:121][cH:123][c:133]1[c:135]([CH3:20])[cH:130][cH:127][cH:126][c:127]1[c:123]2[c:146]4o[cH:151]n[c:136]34', '22 25 C:17 20.27 -7.57 C:18 14.17 -15.33 O 21.48 -9.63 O 20.27 -11.84 C:2 12.98 -11.84 C:3 12.98 -13.24 C:20 16.21 -7.49 C:1 14.17 -11.12 C:6 16.64 -13.94 C:7 17.83 -13.24 N 17.58 -7.67 O 15.63 -8.75 C:15 20.27 -8.97 C:4 14.17 -13.94 C:14 19.05 -11.12 C:13 19.05 -9.70 C:5 15.42 -13.24 C:8 17.83 -11.84 C:10 15.42 -11.84 C:12 17.83 -9.03 C:11 16.64 -9.70 C:9 16.64 -11.12 1 13 1 2 14 1 3 13 2 4 15 1 5 6 2 5 8 1 6 14 1 7 11 2 7 12 1 8 19 2 9 10 2 9 17 1 10 18 1 11 20 1 12 21 1 13 16 1 14 17 2 15 16 2 15 18 1 16 20 1 17 19 1 18 22 2 19 22 1 20 21 2 21 22 1', '22 25 C 20.27 -7.57 C 14.17 -15.33 O 21.48 -9.63 O 20.27 -11.84 C 12.98 -11.84 C 12.98 -13.24 C 16.21 -7.49 C 14.17 -11.12 C 16.64 -13.94 C 17.83 -13.24 N 17.58 -7.67 O 15.63 -8.75 C 20.27 -8.97 C 14.17 -13.94 C 19.05 -11.12 C 19.05 -9.70 C 15.42 -13.24 C 17.83 -11.84 C 15.42 -11.84 C 17.83 -9.03 C 16.64 -9.70 C 16.64 -11.12 1 13 1 2 14 1 3 13 2 4 15 1 5 6 2 5 8 1 6 14 1 7 11 2 7 12 1 8 19 2 9 10 2 9 17 1 10 18 1 11 20 1 12 21 1 13 16 1 14 17 2 15 16 2 15 18 1 16 20 1 17 19 1 18 22 2 19 22 1 20 21 2 21 22 1', '22 25 C:32 20.27 -7.57 C:20 14.17 -15.33 O 21.48 -9.63 O 20.27 -11.84 C:127 12.98 -11.84 C:130 12.98 -13.24 C:151 16.21 -7.49 C:126 14.17 -11.12 C:123 16.64 -13.94 C:121 17.83 -13.24 N 17.58 -7.67 O 15.63 -8.75 C:203 20.27 -8.97 C:135 14.17 -13.94 C:161 19.05 -11.12 C:107 19.05 -9.70 C:133 15.42 -13.24 C:122 17.83 -11.84 C:127 15.42 -11.84 C:136 17.83 -9.03 C:146 16.64 -9.70 C:123 16.64 -11.12 1 13 1 2 14 1 3 13 2 4 15 1 5 6 2 5 8 1 6 14 1 7 11 2 7 12 1 8 19 2 9 10 2 9 17 1 10 18 1 11 20 1 12 21 1 13 16 1 14 17 2 15 16 2 15 18 1 16 20 1 17 19 1 18 22 2 19 22 1 20 21 2 21 22 1', 'C18H13NO3', 291.198, 'C', 'np06_93_2', 3646, '', '', '1', 1, NULL, NULL),
(14196, 'Salviamine C', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:17][C:15](=O)[c:13]3[c:14](O)[c:8]2[cH:7][cH:6][c:5]1[c:4]([CH3:18])[cH:3][cH:2][cH:1][c:10]1[c:9]2[c:11]4o[c:20]([CH3:20001])n[c:12]34', 'CC(=O)c3c(O)c2ccc1c(C)cccc1c2c4oc(C)nc34', '[CH3:32][C:205](=O)[c:108]3[c:161](O)[c:122]2[cH:121][cH:123][c:133]1[c:135]([CH3:20])[cH:130][cH:127][cH:126][c:127]1[c:122]2[c:141]4o[c:163]([CH3:15])n[c:138]34', '23 26 C:17 20.27 -8.19 C:20001 15.54 -6.88 C:18 14.17 -15.95 O 21.48 -10.25 O 20.27 -12.46 C:2 12.98 -12.46 C:3 12.98 -13.86 C:1 14.17 -11.74 C:6 16.64 -14.56 C:7 17.83 -13.86 N 17.58 -8.29 O 15.63 -9.37 C:15 20.27 -9.59 C:20 16.21 -8.11 C:4 14.17 -14.56 C:14 19.05 -11.74 C:13 19.05 -10.32 C:5 15.42 -13.86 C:8 17.83 -12.46 C:10 15.42 -12.46 C:12 17.83 -9.65 C:11 16.64 -10.32 C:9 16.64 -11.74 1 13 1 2 14 1 3 15 1 4 13 2 5 16 1 6 7 2 6 8 1 7 15 1 8 20 2 9 10 2 9 18 1 10 19 1 11 14 2 11 21 1 12 14 1 12 22 1 13 17 1 15 18 2 16 17 2 16 19 1 17 21 1 18 20 1 19 23 2 20 23 1 21 22 2 22 23 1', '23 26 C 20.27 -8.19 C 15.54 -6.88 C 14.17 -15.95 O 21.48 -10.25 O 20.27 -12.46 C 12.98 -12.46 C 12.98 -13.86 C 14.17 -11.74 C 16.64 -14.56 C 17.83 -13.86 N 17.58 -8.29 O 15.63 -9.37 C 20.27 -9.59 C 16.21 -8.11 C 14.17 -14.56 C 19.05 -11.74 C 19.05 -10.32 C 15.42 -13.86 C 17.83 -12.46 C 15.42 -12.46 C 17.83 -9.65 C 16.64 -10.32 C 16.64 -11.74 1 13 1 2 14 1 3 15 1 4 13 2 5 16 1 6 7 2 6 8 1 7 15 1 8 20 2 9 10 2 9 18 1 10 19 1 11 14 2 11 21 1 12 14 1 12 22 1 13 17 1 15 18 2 16 17 2 16 19 1 17 21 1 18 20 1 19 23 2 20 23 1 21 22 2 22 23 1', '23 26 C:32 20.27 -8.19 C:15 15.54 -6.88 C:20 14.17 -15.95 O 21.48 -10.25 O 20.27 -12.46 C:127 12.98 -12.46 C:130 12.98 -13.86 C:126 14.17 -11.74 C:123 16.64 -14.56 C:121 17.83 -13.86 N 17.58 -8.29 O 15.63 -9.37 C:205 20.27 -9.59 C:163 16.21 -8.11 C:135 14.17 -14.56 C:161 19.05 -11.74 C:108 19.05 -10.32 C:133 15.42 -13.86 C:122 17.83 -12.46 C:127 15.42 -12.46 C:138 17.83 -9.65 C:141 16.64 -10.32 C:122 16.64 -11.74 1 13 1 2 14 1 3 15 1 4 13 2 5 16 1 6 7 2 6 8 1 7 15 1 8 20 2 9 10 2 9 18 1 10 19 1 11 14 2 11 21 1 12 14 1 12 22 1 13 17 1 15 18 2 16 17 2 16 19 1 17 21 1 18 20 1 19 23 2 20 23 1 21 22 2 22 23 1', 'C19H15NO3', 305.208, 'C', 'np06_93_3', 3646, '', '', '1', 1, NULL, NULL),
(14197, 'Salviamine D', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:20004]O[C:20003](=O)[CH2:20002][CH2:20001][c:20]4n[c:12]3[c:13]([C:15]([CH3:17])=O)[c:14](O)[c:8]2[cH:7][cH:6][c:5]1[c:4]([CH3:18])[cH:3][cH:2][cH:1][c:10]1[c:9]2[c:11]3o4', 'COC(=O)CCc4nc3c(C(C)=O)c(O)c2ccc1c(C)cccc1c2c3o4', '[CH3:52]O[C:173](=O)[CH2:24][CH2:31][c:165]4n[c:138]3[c:114]([C:204]([CH3:32])=O)[c:160](O)[c:121]2[cH:122][cH:123][c:133]1[c:135]([CH3:20])[cH:130][cH:128][cH:126][c:127]1[c:122]2[c:144]3o4', '28 31 C:20004 13.51 -5.06 C:17 20.28 -9.99 C:18 14.19 -17.75 O 21.49 -12.05 O 16.35 -5.06 O 20.28 -14.27 C:2 13.00 -14.27 C:3 13.00 -15.67 C:1 14.19 -13.55 C:6 16.66 -16.37 C:7 17.84 -15.67 C:20002 16.29 -7.48 C:20001 15.56 -8.68 N 17.60 -10.09 O 14.19 -6.27 O 15.65 -11.17 C:15 20.28 -11.39 C:20003 15.65 -6.27 C:4 14.19 -16.37 C:20 16.23 -9.91 C:14 19.06 -13.55 C:13 19.06 -12.12 C:5 15.44 -15.67 C:8 17.84 -14.27 C:10 15.44 -14.27 C:12 17.84 -11.45 C:11 16.66 -12.12 C:9 16.66 -13.55 1 15 1 2 17 1 3 19 1 4 17 2 5 18 2 6 21 1 7 8 2 7 9 1 8 19 1 9 25 2 10 11 2 10 23 1 11 24 1 12 13 1 12 18 1 13 20 1 14 20 2 14 26 1 15 18 1 16 20 1 16 27 1 17 22 1 19 23 2 21 22 2 21 24 1 22 26 1 23 25 1 24 28 2 25 28 1 26 27 2 27 28 1', '28 31 C 13.51 -5.06 C 20.28 -9.99 C 14.19 -17.75 O 21.49 -12.05 O 16.35 -5.06 O 20.28 -14.27 C 13.00 -14.27 C 13.00 -15.67 C 14.19 -13.55 C 16.66 -16.37 C 17.84 -15.67 C 16.29 -7.48 C 15.56 -8.68 N 17.60 -10.09 O 14.19 -6.27 O 15.65 -11.17 C 20.28 -11.39 C 15.65 -6.27 C 14.19 -16.37 C 16.23 -9.91 C 19.06 -13.55 C 19.06 -12.12 C 15.44 -15.67 C 17.84 -14.27 C 15.44 -14.27 C 17.84 -11.45 C 16.66 -12.12 C 16.66 -13.55 1 15 1 2 17 1 3 19 1 4 17 2 5 18 2 6 21 1 7 8 2 7 9 1 8 19 1 9 25 2 10 11 2 10 23 1 11 24 1 12 13 1 12 18 1 13 20 1 14 20 2 14 26 1 15 18 1 16 20 1 16 27 1 17 22 1 19 23 2 21 22 2 21 24 1 22 26 1 23 25 1 24 28 2 25 28 1 26 27 2 27 28 1', '28 31 C:52 13.51 -5.06 C:32 20.28 -9.99 C:20 14.19 -17.75 O 21.49 -12.05 O 16.35 -5.06 O 20.28 -14.27 C:128 13.00 -14.27 C:130 13.00 -15.67 C:126 14.19 -13.55 C:123 16.66 -16.37 C:122 17.84 -15.67 C:24 16.29 -7.48 C:31 15.56 -8.68 N 17.60 -10.09 O 14.19 -6.27 O 15.65 -11.17 C:204 20.28 -11.39 C:173 15.65 -6.27 C:135 14.19 -16.37 C:165 16.23 -9.91 C:160 19.06 -13.55 C:114 19.06 -12.12 C:133 15.44 -15.67 C:121 17.84 -14.27 C:127 15.44 -14.27 C:138 17.84 -11.45 C:144 16.66 -12.12 C:122 16.66 -13.55 1 15 1 2 17 1 3 19 1 4 17 2 5 18 2 6 21 1 7 8 2 7 9 1 8 19 1 9 25 2 10 11 2 10 23 1 11 24 1 12 13 1 12 18 1 13 20 1 14 20 2 14 26 1 15 18 1 16 20 1 16 27 1 17 22 1 19 23 2 21 22 2 21 24 1 22 26 1 23 25 1 24 28 2 25 28 1 26 27 2 27 28 1', 'C22H19NO5', 377.239, 'C', 'np06_93_4', 3646, '', '', '1', 1, NULL, NULL),
(14198, 'Salviamine E', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:17][C:15](=O)[c:13]3[c:14](O)[c:8]2[cH:7][cH:6][c:5]1[c:10]([CH2:1][CH2:2][CH2:3][C@@:4]1([CH3:19])[CH3:18])[c:9]2[c:11]4o[c:20]([CH3:20001])n[c:12]34', 'CC(=O)c3c(O)c2ccc1c(CCC[C@@]1(C)C)c2c4oc(C)nc34', '[CH3:32][C:204](=O)[c:106]3[c:162](O)[c:122]2[cH:125][cH:123][c:149]1[c:130]([CH2:29][CH2:20][CH2:39][C@@:35]1([CH3:32])[CH3:32])[c:124]2[c:141]4o[c:162]([CH3:15])n[c:137]34', '24 27 C:17 20.28 -8.36 C:20001 15.56 -7.05 C:19 13.16 -15.69 C:18 15.14 -15.77 O 21.49 -10.42 O 20.28 -12.64 C:6 16.66 -14.74 C:7 17.84 -14.04 C:2 13.00 -12.64 C:1 14.19 -11.92 C:3 13.00 -14.04 N 17.60 -8.46 O 15.65 -9.54 C:15 20.28 -9.76 C:20 16.23 -8.28 C:14 19.06 -11.92 C:5 15.44 -14.04 C:10 15.44 -12.64 C:13 19.06 -10.49 C:8 17.84 -12.64 C:12 17.84 -9.82 C:11 16.66 -10.49 C:9 16.66 -11.92 C:4 14.19 -14.74 1 14 1 2 15 1 24 3 -1 24 4 -2 5 14 2 6 16 1 7 8 2 7 17 1 8 20 1 9 10 1 9 11 1 10 18 1 11 24 1 12 15 2 12 21 1 13 15 1 13 22 1 14 19 1 16 19 2 16 20 1 17 18 2 17 24 1 18 23 1 19 21 1 20 23 2 21 22 2 22 23 1', '24 27 C 20.28 -8.36 C 15.56 -7.05 C 13.16 -15.69 C 15.14 -15.77 O 21.49 -10.42 O 20.28 -12.64 C 16.66 -14.74 C 17.84 -14.04 C 13.00 -12.64 C 14.19 -11.92 C 13.00 -14.04 N 17.60 -8.46 O 15.65 -9.54 C 20.28 -9.76 C 16.23 -8.28 C 19.06 -11.92 C 15.44 -14.04 C 15.44 -12.64 C 19.06 -10.49 C 17.84 -12.64 C 17.84 -9.82 C 16.66 -10.49 C 16.66 -11.92 C 14.19 -14.74 1 14 1 2 15 1 24 3 -1 24 4 -2 5 14 2 6 16 1 7 8 2 7 17 1 8 20 1 9 10 1 9 11 1 10 18 1 11 24 1 12 15 2 12 21 1 13 15 1 13 22 1 14 19 1 16 19 2 16 20 1 17 18 2 17 24 1 18 23 1 19 21 1 20 23 2 21 22 2 22 23 1', '24 27 C:32 20.28 -8.36 C:15 15.56 -7.05 C:32 13.16 -15.69 C:32 15.14 -15.77 O 21.49 -10.42 O 20.28 -12.64 C:123 16.66 -14.74 C:125 17.84 -14.04 C:20 13.00 -12.64 C:29 14.19 -11.92 C:39 13.00 -14.04 N 17.60 -8.46 O 15.65 -9.54 C:204 20.28 -9.76 C:162 16.23 -8.28 C:162 19.06 -11.92 C:149 15.44 -14.04 C:130 15.44 -12.64 C:106 19.06 -10.49 C:122 17.84 -12.64 C:137 17.84 -9.82 C:141 16.66 -10.49 C:124 16.66 -11.92 C:35 14.19 -14.74 1 14 1 2 15 1 24 3 -1 24 4 -2 5 14 2 6 16 1 7 8 2 7 17 1 8 20 1 9 10 1 9 11 1 10 18 1 11 24 1 12 15 2 12 21 1 13 15 1 13 22 1 14 19 1 16 19 2 16 20 1 17 18 2 17 24 1 18 23 1 19 21 1 20 23 2 21 22 2 22 23 1', 'C20H21NO3', 323.219, 'C', 'np06_93_5', 3646, '', '', '1', 1, NULL, NULL),
(14199, 'Salviamine F', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:17][C:15](=O)[c:13]3[c:14](O)[c:8]2[cH:7][cH:6][c:5]1[c:10]([CH2:1][CH2:2][CH2:3][C@:4]1([CH3:18])[CH3:19])[c:9]2[c:11]4o[cH:20]n[c:12]34', 'CC(=O)c3c(O)c2ccc1c(CCC[C@]1(C)C)c2c4ocnc34', '[CH3:31][C:204](=O)[c:106]3[c:165](O)[c:123]2[cH:126][cH:123][c:150]1[c:130]([CH2:29][CH2:20][CH2:38][C@:35]1([CH3:32])[CH3:32])[c:124]2[c:141]4o[cH:151]n[c:135]34', '23 26 C:17 20.28 -7.74 C:18 15.14 -15.15 C:19 13.16 -15.07 O 21.49 -9.80 O 20.28 -12.02 C:6 16.66 -14.12 C:7 17.84 -13.42 C:20 16.23 -7.66 C:2 13.00 -12.02 C:1 14.19 -11.30 C:3 13.00 -13.42 N 17.60 -7.84 O 15.65 -8.92 C:15 20.28 -9.14 C:14 19.06 -11.30 C:5 15.44 -13.42 C:10 15.44 -12.02 C:13 19.06 -9.87 C:8 17.84 -12.02 C:12 17.84 -9.20 C:11 16.66 -9.87 C:9 16.66 -11.30 C:4 14.19 -14.12 1 14 1 23 2 -2 23 3 -1 4 14 2 5 15 1 6 7 2 6 16 1 7 19 1 8 12 2 8 13 1 9 10 1 9 11 1 10 17 1 11 23 1 12 20 1 13 21 1 14 18 1 15 18 2 15 19 1 16 17 2 16 23 1 17 22 1 18 20 1 19 22 2 20 21 2 21 22 1', '23 26 C 20.28 -7.74 C 15.14 -15.15 C 13.16 -15.07 O 21.49 -9.80 O 20.28 -12.02 C 16.66 -14.12 C 17.84 -13.42 C 16.23 -7.66 C 13.00 -12.02 C 14.19 -11.30 C 13.00 -13.42 N 17.60 -7.84 O 15.65 -8.92 C 20.28 -9.14 C 19.06 -11.30 C 15.44 -13.42 C 15.44 -12.02 C 19.06 -9.87 C 17.84 -12.02 C 17.84 -9.20 C 16.66 -9.87 C 16.66 -11.30 C 14.19 -14.12 1 14 1 23 2 -2 23 3 -1 4 14 2 5 15 1 6 7 2 6 16 1 7 19 1 8 12 2 8 13 1 9 10 1 9 11 1 10 17 1 11 23 1 12 20 1 13 21 1 14 18 1 15 18 2 15 19 1 16 17 2 16 23 1 17 22 1 18 20 1 19 22 2 20 21 2 21 22 1', '23 26 C:31 20.28 -7.74 C:32 15.14 -15.15 C:32 13.16 -15.07 O 21.49 -9.80 O 20.28 -12.02 C:123 16.66 -14.12 C:126 17.84 -13.42 C:151 16.23 -7.66 C:20 13.00 -12.02 C:29 14.19 -11.30 C:38 13.00 -13.42 N 17.60 -7.84 O 15.65 -8.92 C:204 20.28 -9.14 C:165 19.06 -11.30 C:150 15.44 -13.42 C:130 15.44 -12.02 C:106 19.06 -9.87 C:123 17.84 -12.02 C:135 17.84 -9.20 C:141 16.66 -9.87 C:124 16.66 -11.30 C:35 14.19 -14.12 1 14 1 23 2 -2 23 3 -1 4 14 2 5 15 1 6 7 2 6 16 1 7 19 1 8 12 2 8 13 1 9 10 1 9 11 1 10 17 1 11 23 1 12 20 1 13 21 1 14 18 1 15 18 2 15 19 1 16 17 2 16 23 1 17 22 1 18 20 1 19 22 2 20 21 2 21 22 1', 'C19H19NO3', 309.208, 'C', 'np06_93_6', 3646, '', '', '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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(14214, 'Salviamone, 4,8-dimethyl-8,9-dihydro-10,12-dioxabenzo[a]anthracene-7,11-dione', '', 'Aromatics', 'Naphthalenes', 'Naphthalenes', '[CH3:4001][c:4]1[cH:3][cH:2][cH:1][c:9]3[c:10]1[cH:5][cH:6][c:7]2[c:7001](=O)[c:7002]4[c:7201](o[c:8]23)[C:7202](=O)O[CH2:7004][CH:7003]4[CH3:7301]', 'Cc1cccc3c1ccc2c(=O)c4c(oc23)C(=O)OCC4C', '[CH3:19][c:135]1[cH:131][cH:127][cH:121][c:124]3[c:135]1[cH:122][cH:120][c:120]2[c:176](=O)[c:131]4[c:144](o[c:154]23)[C:159](=O)O[CH2:73][CH:26]4[CH3:17]', '22 25 C:4001 14.20 -15.58 C:7301 21.50 -9.96 O 16.66 -7.22 O 20.29 -12.10 C:2 13.02 -12.10 C:3 13.02 -13.51 C:1 14.20 -11.38 C:5 16.66 -14.20 C:6 17.88 -13.51 C:7004 20.29 -7.85 O 19.03 -7.22 O 16.66 -9.96 C:7202 17.88 -7.91 C:4 14.20 -14.20 C:7201 17.88 -9.29 C:7002 19.10 -9.96 C:7001 19.10 -11.38 C:10 15.45 -13.51 C:7 17.88 -12.10 C:9 15.45 -12.10 C:8 16.66 -11.38 C:7003 20.29 -9.23 1 14 1 2 22 1 3 13 2 4 17 2 5 6 1 5 7 2 6 14 2 7 20 1 8 9 2 8 18 1 9 19 1 10 11 1 10 22 1 11 13 1 12 15 1 12 21 1 13 15 1 14 18 1 15 16 2 16 17 1 16 22 1 17 19 1 18 20 2 19 21 2 20 21 1', '22 25 C 14.20 -15.58 C 21.50 -9.96 O 16.66 -7.22 O 20.29 -12.10 C 13.02 -12.10 C 13.02 -13.51 C 14.20 -11.38 C 16.66 -14.20 C 17.88 -13.51 C 20.29 -7.85 O 19.03 -7.22 O 16.66 -9.96 C 17.88 -7.91 C 14.20 -14.20 C 17.88 -9.29 C 19.10 -9.96 C 19.10 -11.38 C 15.45 -13.51 C 17.88 -12.10 C 15.45 -12.10 C 16.66 -11.38 C 20.29 -9.23 1 14 1 2 22 1 3 13 2 4 17 2 5 6 1 5 7 2 6 14 2 7 20 1 8 9 2 8 18 1 9 19 1 10 11 1 10 22 1 11 13 1 12 15 1 12 21 1 13 15 1 14 18 1 15 16 2 16 17 1 16 22 1 17 19 1 18 20 2 19 21 2 20 21 1', '22 25 C:19 14.20 -15.58 C:17 21.50 -9.96 O 16.66 -7.22 O 20.29 -12.10 C:127 13.02 -12.10 C:131 13.02 -13.51 C:121 14.20 -11.38 C:122 16.66 -14.20 C:120 17.88 -13.51 C:73 20.29 -7.85 O 19.03 -7.22 O 16.66 -9.96 C:159 17.88 -7.91 C:135 14.20 -14.20 C:144 17.88 -9.29 C:131 19.10 -9.96 C:176 19.10 -11.38 C:135 15.45 -13.51 C:120 17.88 -12.10 C:124 15.45 -12.10 C:154 16.66 -11.38 C:26 20.29 -9.23 1 14 1 2 22 1 3 13 2 4 17 2 5 6 1 5 7 2 6 14 2 7 20 1 8 9 2 8 18 1 9 19 1 10 11 1 10 22 1 11 13 1 12 15 1 12 21 1 13 15 1 14 18 1 15 16 2 16 17 1 16 22 1 17 19 1 18 20 2 19 21 2 20 21 1', 'C18H14O4', 294.19, 'C', 'ph67_497_2', 3664, '', '', '1', 1, NULL, NULL),
(14215, '2a-Acetoxysugiol, (3S,4aS,10aS)-1,2,3,4,4a,9,10,10aoctahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][C:7](=O)[c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[c:12](O)[cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23CC(=O)c1cc(C(C)C)c(O)cc1[C@@]2(C)C[C@@H](OC(C)=O)C[C@]3(C)C', '[H][C@@:49]23[CH2:36][C:198](=O)[c:124]1[cH:127][c:134]([CH:27]([CH3:22])[CH3:22])[c:160](O)[cH:110][c:155]1[C@@:39]2([CH3:24])[CH2:43][C@@H:69](O[C:171]([CH3:21])=O)[CH2:46][C@:35]3([CH3:32])[CH3:22]', '27 29 H 16.64 -14.30 C:2002 11.74 -9.16 C:16 21.56 -7.72 C:17 22.78 -9.80 C:18 16.38 -15.16 C:19 14.37 -15.06 C:20 16.64 -10.52 O 14.18 -9.16 O 20.31 -14.09 O 19.10 -7.72 C:14 20.31 -11.24 C:11 17.87 -9.80 C:6 17.87 -14.09 C:3 14.18 -13.39 C:1 15.40 -11.24 O 12.96 -11.27 C:2001 12.96 -9.87 C:7 19.10 -13.39 C:12 19.10 -9.16 C:8 19.10 -11.97 C:13 20.31 -9.80 C:9 17.87 -11.24 C:15 21.56 -9.16 C:2 14.18 -11.97 C:4 15.40 -14.09 C:5 16.64 -13.39 C:10 16.64 -11.97 26 1 -2 2 17 1 3 23 1 4 23 1 25 5 -2 25 6 -1 27 7 -1 8 17 2 9 18 2 10 19 1 11 20 1 11 21 2 12 19 2 12 22 1 13 18 1 13 26 1 14 24 1 14 25 1 15 24 1 15 27 1 16 17 1 24 16 -2 18 20 1 19 21 1 20 22 2 21 23 1 22 27 1 25 26 1 26 27 1', '27 29 H 16.64 -14.30 C 11.74 -9.16 C 21.56 -7.72 C 22.78 -9.80 C 16.38 -15.16 C 14.37 -15.06 C 16.64 -10.52 O 14.18 -9.16 O 20.31 -14.09 O 19.10 -7.72 C 20.31 -11.24 C 17.87 -9.80 C 17.87 -14.09 C 14.18 -13.39 C 15.40 -11.24 O 12.96 -11.27 C 12.96 -9.87 C 19.10 -13.39 C 19.10 -9.16 C 19.10 -11.97 C 20.31 -9.80 C 17.87 -11.24 C 21.56 -9.16 C 14.18 -11.97 C 15.40 -14.09 C 16.64 -13.39 C 16.64 -11.97 26 1 -2 2 17 1 3 23 1 4 23 1 25 5 -2 25 6 -1 27 7 -1 8 17 2 9 18 2 10 19 1 11 20 1 11 21 2 12 19 2 12 22 1 13 18 1 13 26 1 14 24 1 14 25 1 15 24 1 15 27 1 16 17 1 24 16 -2 18 20 1 19 21 1 20 22 2 21 23 1 22 27 1 25 26 1 26 27 1', '27 29 H 16.64 -14.30 C:21 11.74 -9.16 C:22 21.56 -7.72 C:22 22.78 -9.80 C:32 16.38 -15.16 C:22 14.37 -15.06 C:24 16.64 -10.52 O 14.18 -9.16 O 20.31 -14.09 O 19.10 -7.72 C:127 20.31 -11.24 C:110 17.87 -9.80 C:36 17.87 -14.09 C:46 14.18 -13.39 C:43 15.40 -11.24 O 12.96 -11.27 C:171 12.96 -9.87 C:198 19.10 -13.39 C:160 19.10 -9.16 C:124 19.10 -11.97 C:134 20.31 -9.80 C:155 17.87 -11.24 C:27 21.56 -9.16 C:69 14.18 -11.97 C:35 15.40 -14.09 C:49 16.64 -13.39 C:39 16.64 -11.97 26 1 -2 2 17 1 3 23 1 4 23 1 25 5 -2 25 6 -1 27 7 -1 8 17 2 9 18 2 10 19 1 11 20 1 11 21 2 12 19 2 12 22 1 13 18 1 13 26 1 14 24 1 14 25 1 15 24 1 15 27 1 16 17 1 24 16 -2 18 20 1 19 21 1 20 22 2 21 23 1 22 27 1 25 26 1 26 27 1', 'C22H30O4', 358.241, 'C', 'ph67_497_3', 3664, '', '', '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
(14216, 'Palmitoyl arucadiol, 1,2,3,4-tetrahydro-5-hydroxy-7-isopropyl-1,1-dimethyl-4-oxophenanthren-6-yl palmitate', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:12016][CH2:12015][CH2:12014][CH2:12013][CH2:12012][CH2:12011][CH2:12010][CH2:12009][CH2:12008][CH2:12007][CH2:12006][CH2:12005][CH2:12004][CH2:12003][CH2:12002][C:12001](=O)O[c:12]3[c:11](O)[c:9]2[c:10]1[C:1](=O)[CH2:2][CH2:3][C@@:4]([CH3:19])([CH3:18])[c:5]1[cH:6][cH:7][c:8]2[cH:14][c:13]3[CH:15]([CH3:17])[CH3:16]', 'CCCCCCCCCCCCCCCC(=O)Oc3c(O)c2c1C(=O)CC[C@@](C)(C)c1ccc2cc3C(C)C', '[CH3:14][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:25][CH2:34][C:172](=O)O[c:138]3[c:145](O)[c:121]2[c:128]1[C:205](=O)[CH2:37][CH2:35][C@@:36]([CH3:30])([CH3:30])[c:158]1[cH:123][cH:138][c:132]2[cH:117][c:142]3[CH:28]([CH3:23])[CH3:23]', '39 41 C:12016 17.20 -7.02 C:17 24.48 -11.22 C:16 23.26 -9.13 C:19 16.11 -16.38 C:18 18.11 -16.48 O 19.59 -7.02 O 17.14 -11.22 O 18.38 -10.55 C:6 19.59 -15.42 C:7 20.81 -14.72 C:14 22.03 -12.60 C:12015 15.99 -6.33 C:12014 14.79 -7.02 C:12013 13.57 -6.33 C:12012 12.37 -7.02 C:12011 11.17 -6.33 C:12010 9.98 -7.02 C:12009 9.98 -8.43 C:12008 11.17 -9.13 C:12007 12.37 -8.43 C:12006 13.57 -9.13 C:12005 14.79 -8.43 C:12004 15.99 -9.13 C:12003 17.20 -8.43 C:12002 18.38 -9.13 C:2 15.92 -13.33 C:3 15.92 -14.72 O 20.81 -9.13 C:12001 19.59 -8.43 C:1 17.14 -12.60 C:11 19.59 -11.22 C:13 22.03 -11.22 C:5 18.38 -14.72 C:12 20.81 -10.55 C:10 18.38 -13.33 C:8 20.81 -13.33 C:9 19.59 -12.60 C:15 23.26 -10.55 C:4 17.14 -15.42 1 12 1 2 38 1 3 38 1 39 4 -1 39 5 -2 6 29 2 7 30 2 8 31 1 9 10 2 9 33 1 10 36 1 11 32 2 11 36 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 29 1 26 27 1 26 30 1 27 39 1 28 29 1 28 34 1 30 35 1 31 34 2 31 37 1 32 34 1 32 38 1 33 35 2 33 39 1 35 37 1 36 37 2', '39 41 C 17.20 -7.02 C 24.48 -11.22 C 23.26 -9.13 C 16.11 -16.38 C 18.11 -16.48 O 19.59 -7.02 O 17.14 -11.22 O 18.38 -10.55 C 19.59 -15.42 C 20.81 -14.72 C 22.03 -12.60 C 15.99 -6.33 C 14.79 -7.02 C 13.57 -6.33 C 12.37 -7.02 C 11.17 -6.33 C 9.98 -7.02 C 9.98 -8.43 C 11.17 -9.13 C 12.37 -8.43 C 13.57 -9.13 C 14.79 -8.43 C 15.99 -9.13 C 17.20 -8.43 C 18.38 -9.13 C 15.92 -13.33 C 15.92 -14.72 O 20.81 -9.13 C 19.59 -8.43 C 17.14 -12.60 C 19.59 -11.22 C 22.03 -11.22 C 18.38 -14.72 C 20.81 -10.55 C 18.38 -13.33 C 20.81 -13.33 C 19.59 -12.60 C 23.26 -10.55 C 17.14 -15.42 1 12 1 2 38 1 3 38 1 39 4 -1 39 5 -2 6 29 2 7 30 2 8 31 1 9 10 2 9 33 1 10 36 1 11 32 2 11 36 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 29 1 26 27 1 26 30 1 27 39 1 28 29 1 28 34 1 30 35 1 31 34 2 31 37 1 32 34 1 32 38 1 33 35 2 33 39 1 35 37 1 36 37 2', '39 41 C:14 17.20 -7.02 C:23 24.48 -11.22 C:23 23.26 -9.13 C:30 16.11 -16.38 C:30 18.11 -16.48 O 19.59 -7.02 O 17.14 -11.22 O 18.38 -10.55 C:123 19.59 -15.42 C:138 20.81 -14.72 C:117 22.03 -12.60 C:25 15.99 -6.33 C:25 14.79 -7.02 C:25 13.57 -6.33 C:25 12.37 -7.02 C:25 11.17 -6.33 C:25 9.98 -7.02 C:25 9.98 -8.43 C:25 11.17 -9.13 C:25 12.37 -8.43 C:25 13.57 -9.13 C:25 14.79 -8.43 C:25 15.99 -9.13 C:25 17.20 -8.43 C:34 18.38 -9.13 C:37 15.92 -13.33 C:35 15.92 -14.72 O 20.81 -9.13 C:172 19.59 -8.43 C:205 17.14 -12.60 C:145 19.59 -11.22 C:142 22.03 -11.22 C:158 18.38 -14.72 C:138 20.81 -10.55 C:128 18.38 -13.33 C:132 20.81 -13.33 C:121 19.59 -12.60 C:28 23.26 -10.55 C:36 17.14 -15.42 1 12 1 2 38 1 3 38 1 39 4 -1 39 5 -2 6 29 2 7 30 2 8 31 1 9 10 2 9 33 1 10 36 1 11 32 2 11 36 1 12 13 1 13 14 1 14 15 1 15 16 1 16 17 1 17 18 1 18 19 1 19 20 1 20 21 1 21 22 1 22 23 1 23 24 1 24 25 1 25 29 1 26 27 1 26 30 1 27 39 1 28 29 1 28 34 1 30 35 1 31 34 2 31 37 1 32 34 1 32 38 1 33 35 2 33 39 1 35 37 1 36 37 2', 'C35H52O4', 536.372, 'C', 'ph67_497_4', 3664, '', '', '1', 1, NULL, NULL),
(14217, '', '', 'Miscellanea', 'Furanoids', '', '[CH3:1][C:2](=O)[CH:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([CH2:9]O)o1', 'CC(=O)C=Cc1ccc(CO)o1', '[CH3:28][C:198](=O)[CH:124]=[CH:130][c:151]1[cH:117][cH:111][c:157]([CH2:58]O)o1', '12 12 C:1 12.48 -12.39 O 13.28 -10.09 O 21.99 -11.92 C:3 14.88 -11.92 C:4 15.94 -11.00 C:6 17.68 -12.80 C:7 19.08 -12.80 C:9 20.87 -11.10 O 18.43 -10.65 C:2 13.54 -11.47 C:5 17.27 -11.47 C:8 19.54 -11.47 1 10 1 2 10 2 3 8 1 4 5 2 4 10 1 5 11 1 6 7 1 6 11 2 7 12 2 8 12 1 9 11 1 9 12 1', '12 12 C 12.48 -12.39 O 13.28 -10.09 O 21.99 -11.92 C 14.88 -11.92 C 15.94 -11.00 C 17.68 -12.80 C 19.08 -12.80 C 20.87 -11.10 O 18.43 -10.65 C 13.54 -11.47 C 17.27 -11.47 C 19.54 -11.47 1 10 1 2 10 2 3 8 1 4 5 2 4 10 1 5 11 1 6 7 1 6 11 2 7 12 2 8 12 1 9 11 1 9 12 1', '12 12 C:28 12.48 -12.39 O 13.28 -10.09 O 21.99 -11.92 C:124 14.88 -11.92 C:130 15.94 -11.00 C:117 17.68 -12.80 C:111 19.08 -12.80 C:58 20.87 -11.10 O 18.43 -10.65 C:198 13.54 -11.47 C:151 17.27 -11.47 C:157 19.54 -11.47 1 10 1 2 10 2 3 8 1 4 5 2 4 10 1 5 11 1 6 7 1 6 11 2 7 12 2 8 12 1 9 11 1 9 12 1', 'C9H10O3', 166.094, 'C', 'ph67_497_5', 3664, '', '', '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
(14234, '', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:17][CH:15]([CH3:16])[c:13]1[cH:12][cH:11][c:9]3[c:8]([cH:14]1)[C:7](=O)[C:6](O)=[C:5]2[C@:4]([CH3:19])([C:18](=O)O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', 'CC(C)c1ccc3c(c1)C(=O)C(O)=C2[C@](C)(C(=O)O)CCC[C@@]23C', '[CH3:24][CH:34]([CH3:24])[c:136]1[cH:132][cH:125][c:152]3[c:128]([cH:124]1)[C:180](=O)[C:9999](O)=[C:144]2[C@:46]([CH3:22])([C:183](=O)O)[CH2:34][CH2:18][CH2:35][C@@:39]23[CH3:36]', '24 26 C:17 22.04 -9.21 C:16 20.83 -7.13 C:19 15.63 -14.47 C:20 15.98 -9.92 O 14.10 -15.74 O 19.59 -13.41 O 12.41 -13.99 O 17.19 -14.97 C:12 18.40 -8.54 C:11 17.19 -9.21 C:14 19.59 -10.63 C:2 13.58 -11.34 C:3 13.58 -12.74 C:1 14.76 -10.63 C:18 13.77 -14.38 C:7 18.40 -12.74 C:6 17.19 -13.41 C:5 15.98 -12.74 C:13 19.59 -9.21 C:8 18.40 -11.34 C:9 17.19 -10.63 C:15 20.83 -8.54 C:4 14.76 -13.41 C:10 15.98 -11.34 1 22 1 2 22 1 23 3 -1 24 4 -1 5 15 2 6 16 2 7 15 1 8 17 1 9 10 2 9 19 1 10 21 1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 24 1 23 15 -2 16 17 1 16 20 1 17 18 2 18 23 1 18 24 1 19 22 1 20 21 2 21 24 1', '24 26 C 22.04 -9.21 C 20.83 -7.13 C 15.63 -14.47 C 15.98 -9.92 O 14.10 -15.74 O 19.59 -13.41 O 12.41 -13.99 O 17.19 -14.97 C 18.40 -8.54 C 17.19 -9.21 C 19.59 -10.63 C 13.58 -11.34 C 13.58 -12.74 C 14.76 -10.63 C 13.77 -14.38 C 18.40 -12.74 C 17.19 -13.41 C 15.98 -12.74 C 19.59 -9.21 C 18.40 -11.34 C 17.19 -10.63 C 20.83 -8.54 C 14.76 -13.41 C 15.98 -11.34 1 22 1 2 22 1 23 3 -1 24 4 -1 5 15 2 6 16 2 7 15 1 8 17 1 9 10 2 9 19 1 10 21 1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 24 1 23 15 -2 16 17 1 16 20 1 17 18 2 18 23 1 18 24 1 19 22 1 20 21 2 21 24 1', '24 26 C:24 22.04 -9.21 C:24 20.83 -7.13 C:22 15.63 -14.47 C:36 15.98 -9.92 O 14.10 -15.74 O 19.59 -13.41 O 12.41 -13.99 O 17.19 -14.97 C:132 18.40 -8.54 C:125 17.19 -9.21 C:124 19.59 -10.63 C:18 13.58 -11.34 C:34 13.58 -12.74 C:35 14.76 -10.63 C:183 13.77 -14.38 C:180 18.40 -12.74 C 17.19 -13.41 C:144 15.98 -12.74 C:136 19.59 -9.21 C:128 18.40 -11.34 C:152 17.19 -10.63 C:34 20.83 -8.54 C:46 14.76 -13.41 C:39 15.98 -11.34 1 22 1 2 22 1 23 3 -1 24 4 -1 5 15 2 6 16 2 7 15 1 8 17 1 9 10 2 9 19 1 10 21 1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 24 1 23 15 -2 16 17 1 16 20 1 17 18 2 18 23 1 18 24 1 19 22 1 20 21 2 21 24 1', 'C20H24O4', 328.212, 'C', 'ttl06_2577_20', 3656, '', '', '1', 1, NULL, NULL),
(14235, '', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[CH3:16][C:15]([CH3:17])(O)[c:13]1[cH:12][cH:11][c:9]3[c:8]([cH:14]1)[C:7](=O)[C:6](O)=[C:5]2[C@:4]([CH3:19])([C:18](=O)O)[CH2:3][CH2:2][CH2:1][C@@:10]23[CH3:20]', 'CC(C)(O)c1ccc3c(c1)C(=O)C(O)=C2[C@](C)(C(=O)O)CCC[C@@]23C', '[CH3:32][C:72]([CH3:32])(O)[c:150]1[cH:131][cH:126][c:153]3[c:129]([cH:123]1)[C:178](=O)[C:138](O)=[C:145]2[C@:46]([CH3:36])([C:181](=O)O)[CH2:36][CH2:18][CH2:37][C@@:40]23[CH3:21]', '25 27 C:16 20.85 -7.14 C:17 22.06 -9.22 C:19 15.64 -14.48 C:20 15.99 -9.92 O 14.11 -15.75 O 19.60 -13.42 O 12.42 -14.00 O 17.20 -14.98 O 22.06 -7.88 C:12 18.41 -8.55 C:11 17.20 -9.22 C:14 19.60 -10.63 C:2 13.59 -11.34 C:3 13.59 -12.75 C:1 14.77 -10.63 C:18 13.78 -14.39 C:7 18.41 -12.75 C:6 17.20 -13.42 C:5 15.99 -12.75 C:13 19.60 -9.22 C:8 18.41 -11.34 C:9 17.20 -10.63 C:15 20.85 -8.55 C:4 14.77 -13.42 C:10 15.99 -11.34 1 23 1 2 23 1 24 3 -1 25 4 -1 5 16 2 6 17 2 7 16 1 8 18 1 9 23 1 10 11 2 10 20 1 11 22 1 12 20 2 12 21 1 13 14 1 13 15 1 14 24 1 15 25 1 24 16 -2 17 18 1 17 21 1 18 19 2 19 24 1 19 25 1 20 23 1 21 22 2 22 25 1', '25 27 C 20.85 -7.14 C 22.06 -9.22 C 15.64 -14.48 C 15.99 -9.92 O 14.11 -15.75 O 19.60 -13.42 O 12.42 -14.00 O 17.20 -14.98 O 22.06 -7.88 C 18.41 -8.55 C 17.20 -9.22 C 19.60 -10.63 C 13.59 -11.34 C 13.59 -12.75 C 14.77 -10.63 C 13.78 -14.39 C 18.41 -12.75 C 17.20 -13.42 C 15.99 -12.75 C 19.60 -9.22 C 18.41 -11.34 C 17.20 -10.63 C 20.85 -8.55 C 14.77 -13.42 C 15.99 -11.34 1 23 1 2 23 1 24 3 -1 25 4 -1 5 16 2 6 17 2 7 16 1 8 18 1 9 23 1 10 11 2 10 20 1 11 22 1 12 20 2 12 21 1 13 14 1 13 15 1 14 24 1 15 25 1 24 16 -2 17 18 1 17 21 1 18 19 2 19 24 1 19 25 1 20 23 1 21 22 2 22 25 1', '25 27 C:32 20.85 -7.14 C:32 22.06 -9.22 C:36 15.64 -14.48 C:21 15.99 -9.92 O 14.11 -15.75 O 19.60 -13.42 O 12.42 -14.00 O 17.20 -14.98 O 22.06 -7.88 C:131 18.41 -8.55 C:126 17.20 -9.22 C:123 19.60 -10.63 C:18 13.59 -11.34 C:36 13.59 -12.75 C:37 14.77 -10.63 C:181 13.78 -14.39 C:178 18.41 -12.75 C:138 17.20 -13.42 C:145 15.99 -12.75 C:150 19.60 -9.22 C:129 18.41 -11.34 C:153 17.20 -10.63 C:72 20.85 -8.55 C:46 14.77 -13.42 C:40 15.99 -11.34 1 23 1 2 23 1 24 3 -1 25 4 -1 5 16 2 6 17 2 7 16 1 8 18 1 9 23 1 10 11 2 10 20 1 11 22 1 12 20 2 12 21 1 13 14 1 13 15 1 14 24 1 15 25 1 24 16 -2 17 18 1 17 21 1 18 19 2 19 24 1 19 25 1 20 23 1 21 22 2 22 25 1', 'C20H24O5', 344.211, 'A', 'ttl06_2577_21', 3656, '', '', '1', 1, NULL, NULL),
(14236, 'Dehydroabietic acid', '', 'Terpenoids', 'Diterpenoids', 'Abietanes', '[H][C@@:5]23[CH2:6][CH2:7][c:8]1[cH:14][c:13]([CH:15]([CH3:16])[CH3:17])[cH:12][cH:11][c:9]1[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[C:18](=O)O', '[H][C@@]23CCc1cc(C(C)C)ccc1[C@@]2(C)CCC[C@@]3(C)C(=O)O', '[H][C@@:45]23[CH2:22][CH2:30][c:135]1[cH:127][c:146]([CH:34]([CH3:24])[CH3:24])[cH:124][cH:124][c:147]1[C@@:37]2([CH3:25])[CH2:38][CH2:19][CH2:37][C@@:48]3([CH3:16])[C:185](=O)O', '23 25 H 15.41 -13.63 C:16 20.33 -7.02 C:17 21.56 -9.13 C:19 13.15 -14.39 C:20 15.41 -9.85 O 16.52 -14.23 O 14.72 -15.82 C:12 17.87 -8.46 C:11 16.64 -9.13 C:14 19.10 -10.57 C:2 12.96 -11.30 C:7 17.87 -12.72 C:3 12.96 -12.72 C:1 14.17 -10.57 C:6 16.64 -13.42 C:18 15.15 -14.49 C:8 17.87 -11.30 C:13 19.10 -9.13 C:9 16.64 -10.57 C:15 20.33 -8.46 C:4 14.17 -13.42 C:10 15.41 -11.30 C:5 15.41 -12.72 23 1 -2 2 20 1 3 20 1 21 4 -1 22 5 -1 6 16 2 7 16 1 8 9 2 8 18 1 9 19 1 10 17 1 10 18 2 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 22 1 15 23 1 21 16 -2 17 19 2 18 20 1 19 22 1 21 23 1 22 23 1', '23 25 H 15.41 -13.63 C 20.33 -7.02 C 21.56 -9.13 C 13.15 -14.39 C 15.41 -9.85 O 16.52 -14.23 O 14.72 -15.82 C 17.87 -8.46 C 16.64 -9.13 C 19.10 -10.57 C 12.96 -11.30 C 17.87 -12.72 C 12.96 -12.72 C 14.17 -10.57 C 16.64 -13.42 C 15.15 -14.49 C 17.87 -11.30 C 19.10 -9.13 C 16.64 -10.57 C 20.33 -8.46 C 14.17 -13.42 C 15.41 -11.30 C 15.41 -12.72 23 1 -2 2 20 1 3 20 1 21 4 -1 22 5 -1 6 16 2 7 16 1 8 9 2 8 18 1 9 19 1 10 17 1 10 18 2 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 22 1 15 23 1 21 16 -2 17 19 2 18 20 1 19 22 1 21 23 1 22 23 1', '23 25 H 15.41 -13.63 C:24 20.33 -7.02 C:24 21.56 -9.13 C:16 13.15 -14.39 C:25 15.41 -9.85 O 16.52 -14.23 O 14.72 -15.82 C:124 17.87 -8.46 C:124 16.64 -9.13 C:127 19.10 -10.57 C:19 12.96 -11.30 C:30 17.87 -12.72 C:37 12.96 -12.72 C:38 14.17 -10.57 C:22 16.64 -13.42 C:185 15.15 -14.49 C:135 17.87 -11.30 C:146 19.10 -9.13 C:147 16.64 -10.57 C:34 20.33 -8.46 C:48 14.17 -13.42 C:37 15.41 -11.30 C:45 15.41 -12.72 23 1 -2 2 20 1 3 20 1 21 4 -1 22 5 -1 6 16 2 7 16 1 8 9 2 8 18 1 9 19 1 10 17 1 10 18 2 11 13 1 11 14 1 12 15 1 12 17 1 13 21 1 14 22 1 15 23 1 21 16 -2 17 19 2 18 20 1 19 22 1 21 23 1 22 23 1', 'C20H28O2', 300.221, 'C', 'np07_154_1', 3657, '', '', '1', 1, NULL, NULL),
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(14252, 'ent-(5β,8α,9β,10α,12α)-12-Hydroxyatis-16-ene-3,14-dione', '', 'Terpenoids', 'Diterpenoids', 'Atisanes', '[H][C@:5]34[CH2:6][CH2:7][C@@:8]12[CH2:15][C:16](=[CH2:17])[C@@:12](O)([CH2:13][C:14]1=O)[CH2:11][C@@:9]2([H])[C@:10]3([CH3:20])[CH2:1][CH2:2][C:3](=O)[C@:4]4([CH3:19])[CH3:18]', '[H][C@]34CC[C@@]12CC(=C)[C@@](O)(CC1=O)C[C@@]2([H])[C@]3(C)CCC(=O)[C@]4(C)C', '[H][C@:51]34[CH2:20][CH2:30][C@@:48]12[CH2:51][C:148](=[CH2:104])[C@@:72](O)([CH2:42][C:213]1=O)[CH2:35][C@@:55]2([H])[C@:37]3([CH3:12])[CH2:37][CH2:34][C:216](=O)[C@:47]4([CH3:22])[CH3:26]', '25 28 H 16.61 -14.41 H 17.86 -12.35 C:17 21.64 -9.06 C:19 14.34 -15.08 C:18 16.32 -15.19 C:20 16.61 -10.46 O 12.90 -14.06 O 20.99 -10.46 O 19.11 -7.66 C:2 14.14 -11.95 C:1 15.35 -11.18 C:6 17.86 -14.12 C:7 19.11 -13.38 C:13 18.49 -10.30 C:15 20.36 -11.18 C:11 17.86 -9.74 C:16 20.36 -9.74 C:3 14.14 -13.38 C:14 19.65 -10.81 C:4 15.35 -14.12 C:5 16.61 -13.38 C:9 17.86 -11.18 C:10 16.61 -11.95 C:12 19.11 -9.06 C:8 19.11 -11.95 21 1 -1 22 2 -1 3 17 2 20 4 -2 20 5 -1 23 6 -2 7 18 2 8 19 2 24 9 -1 10 11 1 10 18 1 11 23 1 12 13 1 12 21 1 13 25 1 14 19 1 24 14 -2 15 17 1 15 25 1 16 22 1 16 24 1 17 24 1 18 20 1 25 19 -2 20 21 1 21 23 1 22 23 1 22 25 1', '25 28 H 16.61 -14.41 H 17.86 -12.35 C 21.64 -9.06 C 14.34 -15.08 C 16.32 -15.19 C 16.61 -10.46 O 12.90 -14.06 O 20.99 -10.46 O 19.11 -7.66 C 14.14 -11.95 C 15.35 -11.18 C 17.86 -14.12 C 19.11 -13.38 C 18.49 -10.30 C 20.36 -11.18 C 17.86 -9.74 C 20.36 -9.74 C 14.14 -13.38 C 19.65 -10.81 C 15.35 -14.12 C 16.61 -13.38 C 17.86 -11.18 C 16.61 -11.95 C 19.11 -9.06 C 19.11 -11.95 21 1 -1 22 2 -1 3 17 2 20 4 -2 20 5 -1 23 6 -2 7 18 2 8 19 2 24 9 -1 10 11 1 10 18 1 11 23 1 12 13 1 12 21 1 13 25 1 14 19 1 24 14 -2 15 17 1 15 25 1 16 22 1 16 24 1 17 24 1 18 20 1 25 19 -2 20 21 1 21 23 1 22 23 1 22 25 1', '25 28 H 16.61 -14.41 H 17.86 -12.35 C:104 21.64 -9.06 C:22 14.34 -15.08 C:26 16.32 -15.19 C:12 16.61 -10.46 O 12.90 -14.06 O 20.99 -10.46 O 19.11 -7.66 C:34 14.14 -11.95 C:37 15.35 -11.18 C:20 17.86 -14.12 C:30 19.11 -13.38 C:42 18.49 -10.30 C:51 20.36 -11.18 C:35 17.86 -9.74 C:148 20.36 -9.74 C:216 14.14 -13.38 C:213 19.65 -10.81 C:47 15.35 -14.12 C:51 16.61 -13.38 C:55 17.86 -11.18 C:37 16.61 -11.95 C:72 19.11 -9.06 C:48 19.11 -11.95 21 1 -1 22 2 -1 3 17 2 20 4 -2 20 5 -1 23 6 -2 7 18 2 8 19 2 24 9 -1 10 11 1 10 18 1 11 23 1 12 13 1 12 21 1 13 25 1 14 19 1 24 14 -2 15 17 1 15 25 1 16 22 1 16 24 1 17 24 1 18 20 1 25 19 -2 20 21 1 21 23 1 22 23 1 22 25 1', 'C20H28O3', 316.228, 'C+M', 'hca08_2139_3', 3661, '', '', '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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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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(14286, 'Hedyforrestin D', '6β,15β-Dihydroxylabda-8(17),11,13-trien-15,16-olide', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@H:6](O)[CH2:7][C:8](=[CH2:17])[C@H:9]([CH:11]=[CH:12][C:13]1=[CH:14][C@H:15](O)O[C:16]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:19])[CH3:18]', '[H][C@@]23[C@H](O)CC(=C)[C@H](C=CC1=C[C@H](O)OC1=O)[C@@]2(C)CCC[C@@]3(C)C', '[H][C@@:57]23[C@H:69](O)[CH2:46][C:145](=[CH2:112])[C@H:63]([CH:138]=[CH:121][C:132]1=[CH:140][C@H:96](O)O[C:170]1=O)[C@@:40]2([CH3:18])[CH2:44][CH2:19][CH2:44][C@@:35]3([CH3:24])[CH3:34]', '25 27 H 16.50 -15.82 C:17 20.19 -12.72 C:19 14.30 -16.62 C:18 16.22 -16.62 C:20 16.50 -12.02 O 16.50 -8.77 O 20.47 -5.87 O 17.73 -16.98 C:12 18.96 -10.61 C:11 17.73 -11.32 C:14 20.11 -8.35 C:2 14.02 -13.44 C:3 14.02 -14.86 C:1 15.27 -12.72 C:7 18.96 -14.86 O 18.26 -7.02 C:8 18.96 -13.44 C:16 17.83 -8.35 C:13 18.96 -9.18 C:15 19.66 -7.02 C:6 17.73 -15.58 C:9 17.73 -12.72 C:4 15.27 -15.58 C:5 16.50 -14.86 C:10 16.50 -13.44 24 1 -2 2 17 2 23 3 -1 23 4 -2 25 5 -1 6 18 2 20 7 -1 21 8 -1 9 10 2 9 19 1 22 10 -1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 25 1 15 17 1 15 21 1 16 18 1 16 20 1 17 22 1 18 19 1 21 24 1 22 25 1 23 24 1 24 25 1', '25 27 H 16.50 -15.82 C 20.19 -12.72 C 14.30 -16.62 C 16.22 -16.62 C 16.50 -12.02 O 16.50 -8.77 O 20.47 -5.87 O 17.73 -16.98 C 18.96 -10.61 C 17.73 -11.32 C 20.11 -8.35 C 14.02 -13.44 C 14.02 -14.86 C 15.27 -12.72 C 18.96 -14.86 O 18.26 -7.02 C 18.96 -13.44 C 17.83 -8.35 C 18.96 -9.18 C 19.66 -7.02 C 17.73 -15.58 C 17.73 -12.72 C 15.27 -15.58 C 16.50 -14.86 C 16.50 -13.44 24 1 -2 2 17 2 23 3 -1 23 4 -2 25 5 -1 6 18 2 20 7 -1 21 8 -1 9 10 2 9 19 1 22 10 -1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 25 1 15 17 1 15 21 1 16 18 1 16 20 1 17 22 1 18 19 1 21 24 1 22 25 1 23 24 1 24 25 1', '25 27 H 16.50 -15.82 C:112 20.19 -12.72 C:24 14.30 -16.62 C:34 16.22 -16.62 C:18 16.50 -12.02 O 16.50 -8.77 O 20.47 -5.87 O 17.73 -16.98 C:121 18.96 -10.61 C:138 17.73 -11.32 C:140 20.11 -8.35 C:19 14.02 -13.44 C:44 14.02 -14.86 C:44 15.27 -12.72 C:46 18.96 -14.86 O 18.26 -7.02 C:145 18.96 -13.44 C:170 17.83 -8.35 C:132 18.96 -9.18 C:96 19.66 -7.02 C:69 17.73 -15.58 C:63 17.73 -12.72 C:35 15.27 -15.58 C:57 16.50 -14.86 C:40 16.50 -13.44 24 1 -2 2 17 2 23 3 -1 23 4 -2 25 5 -1 6 18 2 20 7 -1 21 8 -1 9 10 2 9 19 1 22 10 -1 11 19 2 11 20 1 12 13 1 12 14 1 13 23 1 14 25 1 15 17 1 15 21 1 16 18 1 16 20 1 17 22 1 18 19 1 21 24 1 22 25 1 23 24 1 24 25 1', 'C20H28O4', 332.22, 'C', 'cpb08_210_1', 3670, '', '', '1', 47, 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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