Mol:BMFYS6CAp015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10  9  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.7500    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 
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.7500    0.0000 C   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 
    3.7321    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  2  2  0  0  0  0 
  1  8  1  0  0  0  0 
  1  2  1  0  0  0  0 
  1  7  2  0  0  0  0 
  5 10  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  4  2  0  0  0  0 
S  SKP  7 
ID	BMFYS6CAp015 
NAME	Triacetic acid 
FORMULA	C6H8O4 
EXACTMASS	144.0422 
AVERAGEMASS	144.1253 
SMILES	CC(O)=CC(O)=CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01757 
M  END