Mol:BMMCBZ2Pk054

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  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 
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    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 
    2.0000    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  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4 12  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  8  9  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pk054 
NAME	Phloretic acid 
FORMULA	C9H10O3 
EXACTMASS	166.0629 
AVERAGEMASS	166.1739 
SMILES	OC(=O)CCc(c1)ccc(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01744 
M  END