Mol:BMMCBZ4Sk009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  0  0  0  0  0  0999 V2000 
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  2  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 
  3 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  5 15  1  0  0  0  0 
  4 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ4Sk009 
NAME	Sinapic acid 
FORMULA	C11H12O5 
EXACTMASS	224.0684 
AVERAGEMASS	224.2099 
SMILES	COc(c1)c(O)c(OC)cc(C=CC(O)=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00482 
M  END