Mol:BMMCBZ3Sk044

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  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  0  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 
    3.7321    3.0000    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 
    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 
  1  2  2  0  0  0  0 
  1  6  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  2  0  0  0  0 
  3  2  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk044 
NAME	Caffeic acid 
FORMULA	C9H8O4 
EXACTMASS	180.0422 
AVERAGEMASS	180.1574 
SMILES	OC(=O)C=Cc(c1)cc(O)c(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01197 
M  END