Mol:BMFYS4CAp014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  7  6  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 
    2.8660    0.0000    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 
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  2  0  0  0  0 
  2  3  1  0  0  0  0 
  1  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  7  2  0  0  0  0 
S  SKP  7 
ID	BMFYS4CAp014 
NAME	Acetoacetic acid 
FORMULA	C4H6O3 
EXACTMASS	102.0316 
AVERAGEMASS	102.0886 
SMILES	CC(=O)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00164 
M  END