Mol:BMFYS6DAp005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
1 8 1 0 0 0 0
1 7 2 0 0 0 0
2 1 1 0 0 0 0
3 9 2 0 0 0 0
4 5 1 0 0 0 0
6 10 1 0 0 0 0
6 11 2 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMFYS6DAp005
NAME 3-Oxo-adipic acid
FORMULA C6H8O5
EXACTMASS 160.0371
AVERAGEMASS 160.1247
SMILES OC(=O)CCC(=O)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00846
M END
