Mol:BMMCAS--q005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.5000    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 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    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 
    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  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1 13  1  0  0  0  0 
  1  2  2  0  0  0  0 
  1  6  1  0  0  0  0 
 13  7  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2 14  1  0  0  0  0 
  6  5  2  0  0  0  0 
  7  8  2  0  0  0  0 
  7 12  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3 15  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 16  1  0  0  0  0 
 12 11  2  0  0  0  0 
  9 10  2  0  0  0  0 
  5  4  1  0  0  0  0 
 11 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCAS--q005 
NAME	2,2',3-Trihydroxy-diphenyl-ether 
FORMULA	C12H10O4 
EXACTMASS	218.0579 
AVERAGEMASS	218.2054 
SMILES	Oc(c2)c(ccc2)Oc(c1)c(O)c(O)cc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07733 
M  END