Mol:BMMCBZ2Pd044

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Copyright: ARM project http://www.metabolome.jp/
 23 23  0  0  1  0  0  0  0  0999 V2000
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.3840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.1160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  8 22  1  0  0  0  0
 11 12  2  0  0  0  0
  8 20  1  0  0  0  0
 12 13  1  0  0  0  0
  8 21  1  0  0  0  0
 13 14  2  0  0  0  0
 12 23  1  0  0  0  0
 14  9  1  0  0  0  0
  6 19  2  0  0  0  0
  9 10  2  0  0  0  0
  4  3  1  0  0  0  0
 10 11  1  0  0  0  0
  3  2  2  0  0  0  0
  2  1  1  0  0  0  0
  9  7  1  0  0  0  0
  2 17  1  0  0  0  0
  7  6  1  4  0  0  0
  4  5  2  0  0  0  0
  1 16  1  0  0  0  0
  7  8  1  0  0  0  0
  1 15  2  0  0  0  0
  3 18  1  0  0  0  0
S  SKP  7
ID	BMMCBZ2Pd044
NAME	6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoic acid
FORMULA	C14H9Cl5O4
EXACTMASS	415.8943
AVERAGEMASS	418.4823
SMILES	OC(=O)C(O)=C(Cl)C=CC(=O)C(c(c1)ccc(Cl)c1)C(Cl)(Cl)Cl
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06651
M  END

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