Mol:BMFYS5CAp009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 0 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 8 2 0 0 0 0
1 6 1 0 0 0 0
1 7 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMFYS5CAp009
NAME 2-Oxo-pentanoic acid
FORMULA C5H8O3
EXACTMASS 116.0473
AVERAGEMASS 116.1152
SMILES CCCC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00567
M END
