Mol:BMCCQI--k005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  0  0  0  0  0  0999 V2000 
    4.5981    0.7500    0.0000 N   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 
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10  9  1  0  0  0  0 
  9  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4 10  1  0  0  0  0 
  8 13  1  0  0  0  0 
  6  7  2  0  0  0  0 
  4 14  1  0  0  0  0 
  7  8  1  0  0  0  0 
  2 11  1  0  0  0  0 
  8  9  2  0  0  0  0 
 13 12  1  0  0  0  0 
 10  5  2  0  0  0  0 
 11 15  1  0  0  0  0 
  5  6  1  0  0  0  0 
 11 16  2  0  0  0  0 
S  SKP  7 
ID	BMCCQI--k005 
NAME	8-Methoxy-kynurenic acid 
FORMULA	C11H9NO4 
EXACTMASS	219.0531 
AVERAGEMASS	219.1935 
SMILES	COc(c2)c(n1)c(cc2)c(O)cc(C(O)=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05830 
M  END