Mol:BMFYB6DAk003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -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
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 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
3.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
2 1 1 0 0 0 0
5 6 1 0 0 0 0
7 13 1 0 0 0 0
7 14 2 0 0 0 0
4 7 1 0 0 0 0
2 10 1 0 0 0 0
6 11 1 0 0 0 0
6 12 2 0 0 0 0
S SKP 7
ID BMFYB6DAk003
NAME (Z) -2- (2,2-Dihydroxyethenyl) -4-oxopent-2-enedioic acid
CAS_RN 82784-81-4
FORMULA C7H6O7
EXACTMASS 202.0113
AVERAGEMASS 202.1183
SMILES OC(=O)C=C(C=C(O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04451
M END
