Mol:BMMCBZ2Pd014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -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 
    4.5981   -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 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
 10  8  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  4 11  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pd014 
NAME	4-Chloro-phenyl-acetic acid 
FORMULA	C8H7ClO2 
EXACTMASS	170.0134 
AVERAGEMASS	170.5926 
SMILES	OC(=O)Cc(c1)ccc(Cl)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03077 
M  END