Mol:BMMCHC--k009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  1  0  0  0  0  0999 V2000 
    3.7601   -1.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691   -0.5736    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.2601    0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2601    0.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511   -0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5201   -0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7281    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6791    1.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9849    1.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1569   -1.3827    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  5 11  2  0  0  0  0 
  2  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7  8  2  0  0  0  0 
  2 10  1  4  0  0  0 
S  SKP  7 
ID	BMMCHC--k009 
NAME	2- (2-Chloro-5-oxofuran-2-yl) acetic acid 
CAS_RN	958732-25-7 
FORMULA	C6H5ClO4 
EXACTMASS	175.9876 
AVERAGEMASS	176.5542 
SMILES	OC(=O)CC(Cl)(C=1)OC(=O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04522 
M  END