Mol:BMMCBZ3Sk011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.7500    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   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.7500    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 
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  1  0  0  0  0 
  2 11  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5 12  1  0  0  0  0 
  5  4  1  0  0  0  0 
  1  7  1  0  0  0  0 
  4  3  2  0  0  0  0 
  7  8  1  0  0  0  0 
  3  2  1  0  0  0  0 
  8  9  2  0  0  0  0 
  2  1  2  0  0  0  0 
  8 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk011 
NAME	2,5-Dihydroxy-phenyl-acetic acid 
FORMULA	C8H8O4 
EXACTMASS	168.0422 
AVERAGEMASS	168.1467 
SMILES	OC(=O)Cc(c1)c(O)ccc(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00544 
M  END