Mol:BMFYS4DA0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  8  7  0  0  0  0  0  0  0  0999 V2000 
    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 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  3  0  0  0  0 
  3  6  1  0  0  0  0 
  3  5  2  0  0  0  0 
  1  3  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  2  0  0  0  0 
  2  4  1  0  0  0  0 
S  SKP  7 
ID	BMFYS4DA0007 
NAME	Acetylene-dicarboxylic acid 
FORMULA	C4H2O4 
EXACTMASS	113.9953 
AVERAGEMASS	114.0562 
SMILES	OC(=O)C#CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03248 
M  END