Mol:BMMCBZ2Pk061

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  1  0  0  0  0  0999 V2000 
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5000    0.0000 C   0  0  3  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 
    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   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    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    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  8  2  0  0  0  0 
  9  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  7 10  1  0  0  0  0 
  2 11  1  4  0  0  0 
  1 12  1  0  0  0  0 
  1 13  2  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pk061 
NAME	3-(4-Hydroxy-phenyl)-lactic acid 
FORMULA	C9H10O4 
EXACTMASS	182.0579 
AVERAGEMASS	182.1733 
SMILES	Oc(c1)ccc(c1)CC(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03672 
M  END