Mol:BMFYS6DAp005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    4.5981    2.0000    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 
    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 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1  8  1  0  0  0  0 
  1  7  2  0  0  0  0 
  2  1  1  0  0  0  0 
  3  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  2  0  0  0  0 
  5  6  1  0  0  0  0 
S  SKP  7 
ID	BMFYS6DAp005 
NAME	3-Oxo-adipic acid 
FORMULA	C6H8O5 
EXACTMASS	160.0371 
AVERAGEMASS	160.1247 
SMILES	OC(=O)CCC(=O)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00846 
M  END