Mol:BMCCQI--k010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 16  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.2500    0.0000 N   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 
    5.4641    0.7500    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 
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
    5.4641   -0.2500    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 
    6.3301    1.2500    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 
    2.0000    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 
  6  5  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 10  2  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 
  4 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 15  2  0  0  0  0 
  2 11  1  0  0  0  0 
S  SKP  7 
ID	BMCCQI--k010 
NAME	Xanthurenic acid 
FORMULA	C10H7NO4 
EXACTMASS	205.0375 
AVERAGEMASS	205.1669 
SMILES	OC(=O)c(c1)nc(c(O)2)c(ccc2)c(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02470 
M  END