Mol:BMACBZHOd003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  1  0  0  0  0  0999 V2000 
    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 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -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  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3 13  1  0  0  0  0 
  1  6  2  0  0  0  0 
  4 14  1  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
 11  9  1  0  0  0  0 
  4  3  1  0  0  0  0 
  9  8  1  0  0  0  0 
  3  2  2  0  0  0  0 
  8  7  1  0  0  0  0 
  7  1  1  0  0  0  0 
  2  1  1  0  0  0  0 
  9 12  2  0  0  0  0 
  8 10  1  1  0  0  0 
S  SKP  7 
ID	BMACBZHOd003 
NAME	3-Iodo-L-tyrosine 
FORMULA	C9H10INO3 
EXACTMASS	306.9705 
AVERAGEMASS	307.0854 
SMILES	OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02515 
M  END