Mol:BMFYS6CAq003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 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
2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 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
3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 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
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
2 9 2 0 0 0 0
5 11 2 0 0 0 0
4 10 1 1 0 0 0
6 12 1 0 0 0 0
S SKP 7
ID BMFYS6CAq003
NAME (4S) -4,6-Dihydroxy-2,5-dioxohexanoic acid
CAS_RN 17511-00-1
FORMULA C6H8O6
EXACTMASS 176.032
AVERAGEMASS 176.1241
SMILES OCC(=O)[C@@H](O)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04349
M END
