Mol:BMMCIZ--k025

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    3.3090    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3090    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6180    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6750   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6750   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8090   -2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5411   -2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0  0  0  0 
  4  5  2  0  0  0  0 
  5  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  7  8  1  0  0  0  0 
S  SKP  7 
ID	BMMCIZ--k025 
NAME	Urocanic acid 
FORMULA	C6H6N2O2 
EXACTMASS	138.0429 
AVERAGEMASS	138.1241 
SMILES	OC(=O)C=Cc(c1)ncn1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00785 
M  END