Mol:BMMCBZ4Sd003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  1  0  0  0  0  0999 V2000 
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.5000    0.0000 C   0  0  3  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 
    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    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    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 
    5.4641   -2.0000    0.0000 I   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  2  1  0  0  0  0 
  1 10  1  0  0  0  0 
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2 12  1  4  0  0  0 
  4  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  3  4  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
  6 15  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ4Sd003 
NAME	2-Hydroxy-3- (4-hydroxy-3,5-diiodophenyl) propanoic acid 
CAS_RN	15220-05-0 
FORMULA	C9H8I2O4 
EXACTMASS	433.8511 
AVERAGEMASS	433.9669 
SMILES	OC(=O)C(O)Cc(c1)cc(I)c(O)c(I)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04367 
M  END