Mol:BMMCBZ2Pn029

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    4.5981    0.5000    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 
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 C   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 
    7.1962   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  5  2  0  0  0  0 
  6  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  5  1  0  0  0  0 
  4 10  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  3  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pn029 
NAME	4-Hydroxy-phenyl-acetonitrile 
FORMULA	C8H7NO 
EXACTMASS	133.0527 
AVERAGEMASS	133.1473 
SMILES	N#CCc(c1)ccc(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03766 
M  END