Mol:BMMCAS--d012

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Copyright: ARM project http://www.metabolome.jp/
 18 19  0  0  0  0  0  0  0  0999 V2000
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    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
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    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    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.0000    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
    2.8660    1.5000    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
    5.4641   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  9  2  1  0  0  0  0
  2  3  1  0  0  0  0
  6 15  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  1 18  1  0  0  0  0
  4  5  1  0  0  0  0
 12 16  1  0  0  0  0
  5  6  2  0  0  0  0
  1 17  2  0  0  0  0
S  SKP  7
ID	BMMCAS--d012
NAME	Bis(4'-chlorophenyl)-acetic acid
FORMULA	C14H10Cl2O2
EXACTMASS	280.0057
AVERAGEMASS	281.1334
SMILES	OC(=O)C(c(c2)ccc(Cl)c2)c(c1)ccc(Cl)c1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06640
M  END

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