Mol:BMMCBZ4Sq010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  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 
    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 
  3 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
 14 15  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 
S  SKP  7 
ID	BMMCBZ4Sq010 
NAME	Sinapoyl alcohol 
FORMULA	C11H14O4 
EXACTMASS	210.0892 
AVERAGEMASS	210.2264 
SMILES	OCC=Cc(c1)cc(OC)c(O)c(OC)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02325 
M  END