Mol:BMMCBZ3Sk014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    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 
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
    3.7321    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    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 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 10  1  0  0  0  0 
  1 11  2  0  0  0  0 
  4  5  2  0  0  0  0 
  4  9  1  0  0  0  0 
  9  8  2  0  0  0  0 
  8  7  1  0  0  0  0 
  7  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  3  4  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk014 
NAME	3-(2,3-Dihydroxy-phenyl)-propanoic acid 
FORMULA	C9H10O4 
EXACTMASS	182.0579 
AVERAGEMASS	182.1733 
SMILES	OC(=O)CCc(c1)c(O)c(O)cc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04044 
M  END