Mol:BMMCACDEq012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  1  0  0  0  0  0999 V2000 
    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  3  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 C   0  0  3  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 
    4.5981   -1.5000    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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  6  2  0  0  0  0 
  1  7  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  9  1  4  0  0  0 
  6  5  1  0  0  0  0 
  7  8  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3 10  1  4  0  0  0 
  5  4  2  0  0  0  0 
S  SKP  7 
ID	BMMCACDEq012 
NAME	Styrene cis-glycol 
FORMULA	C8H10O2 
EXACTMASS	138.068 
AVERAGEMASS	138.1637 
SMILES	C=CC(=C1)C(O)C(O)C=C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07084 
M  END