Mol:BMFYS6DAp007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    5.4641    1.7500    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 
    4.5981    0.2500    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 
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.7500    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   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  5  2  0  0  0  0 
  7  1  1  0  0  0  0 
  1  8  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  9  2  0  0  0  0 
  5  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  6 10  1  0  0  0  0 
  1  2  1  0  0  0  0 
  6 11  2  0  0  0  0 
S  SKP  7 
ID	BMFYS6DAp007 
NAME	4-Oxalo-crotonic acid 
FORMULA	C6H6O5 
EXACTMASS	158.0215 
AVERAGEMASS	158.1088 
SMILES	OC(=O)C=CCC(=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03453 
M  END