Mol:BMFYS7DAp004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 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
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
7 9 1 0 0 0 0
3 2 1 0 0 0 0
5 6 1 0 0 0 0
2 1 1 0 0 0 0
6 7 1 0 0 0 0
2 10 2 0 0 0 0
4 3 2 0 0 0 0
1 11 1 0 0 0 0
7 8 2 0 0 0 0
1 12 2 0 0 0 0
S SKP 7
ID BMFYS7DAp004
NAME 2-Oxohept-3-enedioic acid
CAS_RN 219488-80-9
FORMULA C7H8O5
EXACTMASS 172.0371
AVERAGEMASS 172.1354
SMILES OC(=O)CCC=CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03063
M END
