Mol:LBF08102SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.2471 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5754 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6421 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6421 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5754 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
S SKP 5
ID LBF08102SC02
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CC=CCCCCC(O)=O
M END
