Mol:BMMCBZ2Pd045

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Copyright: ARM project http://www.metabolome.jp/
 22 22  0  0  0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  8 20  1  0  0  0  0
 14  9  1  0  0  0  0
 12 22  1  0  0  0  0
  9 10  2  0  0  0  0
  6  5  1  0  0  0  0
 10 11  1  0  0  0  0
  6 19  2  0  0  0  0
  5  4  2  0  0  0  0
  9  7  1  0  0  0  0
  4  3  1  0  0  0  0
  7  6  1  0  0  0  0
  3  2  2  0  0  0  0
 11 12  2  0  0  0  0
  3 18  1  0  0  0  0
  7  8  2  0  0  0  0
  2  1  1  0  0  0  0
 12 13  1  0  0  0  0
  2 17  1  0  0  0  0
  8 21  1  0  0  0  0
  1 16  1  0  0  0  0
 13 14  2  0  0  0  0
  1 15  2  0  0  0  0
S  SKP  7
ID	BMMCBZ2Pd045
NAME	6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid
FORMULA	C14H8Cl4O4
EXACTMASS	379.9176
AVERAGEMASS	382.0217
SMILES	OC(=O)C(O)=C(Cl)C=CC(=O)C(=C(Cl)Cl)c(c1)ccc(Cl)c1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06645
M  END

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