Mol:BMMCBZ3Sk022

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  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 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  4 14  1  0  0  0  0 
  3 13  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 10  1  4  0  0  0 
  9 12  1  0  0  0  0 
  9 11  2  0  0  0  0 
  8  9  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk022 
NAME	3,4-Dihydroxy-phenyl-lactic acid 
FORMULA	C9H10O5 
EXACTMASS	198.0528 
AVERAGEMASS	198.1727 
SMILES	OC(=O)C(O)Cc(c1)cc(O)c(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01207 
M  END