Mol:LBF08103SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.2272 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5554 -0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 0.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7047 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0282 -0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 -0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2643 -0.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8789 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5554 -0.4799 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
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 5
ID LBF08103SC02
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CCC=CCCCC(O)=O
M END
