Mol:BMMCBZ2Pn005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  1  0  0  0  0  0999 V2000 
    4.5981    0.0000    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 
    2.8660   -0.0000    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   -1.5000    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  1  0  0  0  0  0  0  0  0  0 
    6.3301    0.0000    0.0000 C   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 
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  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 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  6  0  0  0 
  8  9  3  0  0  0  0 
  4 11  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pn005 
NAME	(S)-4-Hydroxy-mandelo-nitrile 
FORMULA	C8H7NO2 
EXACTMASS	149.0476 
AVERAGEMASS	149.1467 
SMILES	N#C[C@@H](O)c(c1)ccc(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03742 
M  END