Mol:BMMCBZ3Sm054

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  1  0  0  0  0  0999 V2000 
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -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  2  0  0  0  0  0  0  0  0  0 
    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 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  7  1  0  0  0  0 
  3  4  2  0  0  0  0 
  7  8  1  0  0  0  0 
  4  5  1  0  0  0  0 
  8  9  1  0  0  0  0 
  5  6  2  0  0  0  0 
  9 10  1  0  0  0  0 
  6  1  1  0  0  0  0 
  7 11  1  6  0  0  0 
  1  2  2  0  0  0  0 
  1 12  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2 13  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sm054 
NAME	L-Adrenaline 
FORMULA	C9H13NO3 
EXACTMASS	183.0895 
AVERAGEMASS	183.2044 
SMILES	CNC[C@H](O)c(c1)cc(O)c(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00788 
M  END