Mol:BMCCQI--k006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 15  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.0000    0.0000 N   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 
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -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 
    2.0000    0.5000    0.0000 O   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 
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1  9  1  0  0  0  0 
  4 14  1  0  0  0  0 
  7  6  1  0  0  0  0 
  2 11  1  0  0  0  0 
  6  5  2  0  0  0  0 
 11 13  1  0  0  0  0 
  5 10  1  0  0  0  0 
 11 12  2  0  0  0  0 
S  SKP  7 
ID	BMCCQI--k006 
NAME	Kynurenic acid 
FORMULA	C10H7NO3 
EXACTMASS	189.0425 
AVERAGEMASS	189.1675 
SMILES	OC(=O)c(c1)nc(c2)c(ccc2)c(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01717 
M  END