Mol:BMACBZANo012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 17  0  0  1  0  0  0  0  0999 V2000 
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.7500    0.0000 C   0  0  2  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 
    4.5981    0.2500    0.0000 C   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   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 10  5  2  0  0  0  0 
 10  9  1  0  0  0  0 
  9  8  2  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  1  0  0  0  0 
  6 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
  4 15  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2 11  1  1  0  0  0 
  1 16  1  0  0  0  0 
  1 17  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  7 
ID	BMACBZANo012 
NAME	N-Formyl-L-kynurenine 
FORMULA	C11H12N2O4 
EXACTMASS	236.0797 
AVERAGEMASS	236.224 
SMILES	O=CNc(c1)c(ccc1)C(=O)C[C@H](N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02700 
M  END