Mol:BMMCBZ2Pd006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 14  0  0  1  0  0  0  0  0999 V2000
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    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
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  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
  7 14  1  0  0  0  0
  6  7  2  0  0  0  0
  2  4  1  4  0  0  0
  7  8  1  0  0  0  0
  2  1  1  0  0  0  0
  8  9  2  0  0  0  0
  1 11  1  0  0  0  0
  9  4  1  0  0  0  0
  1 10  2  0  0  0  0
  4  5  2  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
S  SKP  7
ID	BMMCBZ2Pd006
NAME	2-(4'-Chlorophenyl)-3,3-dichloro-propenoic acid
FORMULA	C9H7Cl3O2
EXACTMASS	251.9511
AVERAGEMASS	253.5087
SMILES	OC(=O)C(c(c1)ccc(Cl)c1)C(Cl)Cl
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06646
M  END

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