Mol:BMMCBZ3Sk030

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  1  0  0  0  0  0999 V2000 
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -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 
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4 14  1  0  0  0  0 
  5  4  2  0  0  0  0 
  3 12  1  0  0  0  0 
  4  3  1  0  0  0  0 
 12 13  1  0  0  0  0 
  3  2  2  0  0  0  0 
  1  7  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1  6  2  0  0  0  0 
  7 11  1  4  0  0  0 
  6  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8  9  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk030 
NAME	3-Methoxy-4-hydroxy-mandelic acid 
FORMULA	C9H10O5 
EXACTMASS	198.0528 
AVERAGEMASS	198.1727 
SMILES	COc(c1)c(O)ccc1C(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05584 
M  END