Mol:BMMCBZ3Sm041

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  2 10  1  0  0  0  0 
  5 12  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 13  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sm041 
NAME	5-Hydroxy-kynurenamine 
FORMULA	C9H12N2O2 
EXACTMASS	180.0898 
AVERAGEMASS	180.2038 
SMILES	NCCC(=O)c(c1)c(N)ccc(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05638 
M  END