Mol:BMMCAS--q004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 16  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 
    2.8660   -0.2500    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 
    2.0000    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 
    3.7321    1.2500    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 
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 11 12  2  0  0  0  0 
 11 10  1  0  0  0  0 
 10  9  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7 12  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 
  8 15  1  0  0  0  0 
S  SKP  7 
ID	BMMCAS--q004 
NAME	2,2',3-Trihydroxy-biphenyl 
FORMULA	C12H10O3 
EXACTMASS	202.0629 
AVERAGEMASS	202.206 
SMILES	Oc(c2)c(O)c(cc2)c(c1)c(O)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03569 
M  END