Mol:BMMCAS--q011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 15  0  0  0  0  0  0  0  0999 V2000 
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  8  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  1  2  2  0  0  0  0 
  1  6  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  7  1  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3 14  1  0  0  0  0 
S  SKP  7 
ID	BMMCAS--q011 
NAME	Biphenyl-2,3-diol 
FORMULA	C12H10O2 
EXACTMASS	186.068 
AVERAGEMASS	186.2065 
SMILES	Oc(c2)c(O)c(cc2)c(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02526 
M  END