Mol:BMMCBZ3So047

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  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 
    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 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -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 
    5.4641    0.5000    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 
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  4 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
 12 10  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 13  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3So047 
NAME	Coniferyl aldehyde 
FORMULA	C10H10O3 
EXACTMASS	178.0629 
AVERAGEMASS	178.1846 
SMILES	O=CC=Cc(c1)cc(OC)c(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02666 
M  END