Mol:BMMCBZ3Sm055

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  1  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  2  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   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -3.0000    0.0000 C   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 
    3.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3 11  1  0  0  0  0 
  5  4  2  0  0  0  0 
 11 12  1  0  0  0  0 
  4  3  1  0  0  0  0 
  4 13  1  0  0  0  0 
  3  2  2  0  0  0  0 
  1  7  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1  6  2  0  0  0  0 
  8  9  1  0  0  0  0 
  6  5  1  0  0  0  0 
  7 14  1  6  0  0  0 
  9 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sm055 
NAME	L-Metanephrine 
FORMULA	C10H15NO3 
EXACTMASS	197.1051 
AVERAGEMASS	197.231 
SMILES	CNC[C@H](O)c(c1)cc(OC)c(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05588 
M  END