Mol:BMACBZHOp003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  1  0  0  0  0 
  4  3  1  0  0  0  0 
  7  8  1  0  0  0  0 
  3  2  2  0  0  0  0 
  8  9  1  0  0  0  0 
  2  1  1  0  0  0  0 
  9 10  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2 12  1  0  0  0  0 
  6  5  1  0  0  0  0 
  7 15  2  0  0  0  0 
  9 11  1  4  0  0  0 
  5 16  1  0  0  0  0 
  5  4  2  0  0  0  0 
 10 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
S  SKP  7 
ID	BMACBZHOp003 
NAME	5-Hydroxy-kynurenine 
FORMULA	C10H12N2O4 
EXACTMASS	224.0797 
AVERAGEMASS	224.2133 
SMILES	OC(=O)C(N)CC(=O)c(c1)c(N)ccc(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05651 
M  END