Mol:LBF20406HO02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.4739 1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1389 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2362 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4739 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8880 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3005 0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3005 -1.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8154 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6052 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4309 -1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4879 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
3 4 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 4 0 0 0
8 9 1 0 0 0 0
10 9 1 4 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
1 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 2 1 4 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
S SKP 5
ID LBF20406HO02
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC
M END
