Mol:BMACXXCAq002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  1  0  0  0  0  0999 V2000 
    3.5000    0.2010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.6340   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6340   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -1.7990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.3660   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3660   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000    1.0670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.5000    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5000    0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000    2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5000    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  1  1  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  1  0  0  0 
  9 12  1  0  0  0  0 
  9 13  2  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  1  0  0  0  0 
  5  6  2  0  0  0  0 
  1  6  1  0  0  0  0 
 11 14  1  0  0  0  0 
 11 15  2  0  0  0  0 
  1 11  1  6  0  0  0 
  4 16  1  6  0  0  0 
S  SKP  7 
ID	BMACXXCAq002 
NAME	L-Pretyrosine 
FORMULA	C10H13NO5 
EXACTMASS	227.0793 
AVERAGEMASS	227.2139 
SMILES	O[C@H](C=1)C=C[C@@](C1)(C(O)=O)C[C@H](N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00826 
M  END