Mol:BMFYS5CAq001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 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 1 1 0 0 0 0
1 6 1 0 0 0 0
1 7 2 0 0 0 0
2 8 2 0 0 0 0
4 9 2 0 0 0 0
5 10 1 0 0 0 0
S SKP 7
ID BMFYS5CAq001
NAME (4S) -5-Hydroxy-2,4-dioxopentanoic acid
CAS_RN 53857-83-3
FORMULA C5H6O5
EXACTMASS 146.0215
AVERAGEMASS 146.0981
SMILES OCC(=O)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05406
M END
