Mol:BMMCBZ4Sd004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  0  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 
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.0000    0.0000 O   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 
    2.0000    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 
    5.4641   -2.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  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 
  1  2  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 12  1  0  0  0  0 
  9 11  2  0  0  0  0 
  8  9  1  0  0  0  0 
  4 14  1  0  0  0  0 
  3 13  1  0  0  0  0 
  5 15  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ4Sd004 
NAME	3,5-Diiodo-4-hydroxy-phenyl-pyruvic acid 
FORMULA	C9H6I2O4 
EXACTMASS	431.8355 
AVERAGEMASS	431.951 
SMILES	OC(=O)C(=O)Cc(c1)cc(I)c(O)c(I)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01244 
M  END