Mol:BMACBZ--i009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  1  0  0  0  0  0999 V2000 
    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 
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    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 
    6.3301   -1.0000    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 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 N   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    2.0000    0.0000 C   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 
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  8  7  1  0  0  0  0 
 13  9  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8 10  1  1  0  0  0 
  1  2  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 
  7  1  1  0  0  0  0 
  9 14  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 11 15  2  0  0  0  0 
S  SKP  7 
ID	BMACBZ--i009 
NAME	N-Acetyl-D-phenylalanine 
FORMULA	C11H13NO3 
EXACTMASS	207.0895 
AVERAGEMASS	207.2258 
SMILES	CC(=O)N[C@@H](C(O)=O)Cc(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05620 
M  END