Mol:BMMCBZ4Sd004

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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

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