Mol:BMMCACDEk008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 13  0  0  1  0  0  0  0  0  1 V2000
   21.7716   -4.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198   -5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198   -6.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7716   -7.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9234   -6.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9234   -5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4680   -7.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4680   -8.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3161   -9.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7716   -3.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4680   -4.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1643   -8.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3161  -10.7165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  2 11  1  1  0  0  0
  1 10  1  1  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
S  SKP  7
ID	BMMCACDEk008
NAME	cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
FORMULA	C9H12O4
EXACTMASS	184.0735
AVERAGEMASS	184.1891
SMILES	OC(=O)CCC(=C1)C(O)C(O)C=C1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C11588
M  END

</pre>