Mol:BMMCACCHk005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 11 11  0  0  1  0  0  0  0  0999 V2000
    4.5981    0.5000    0.0000 C   0  0  2  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
    3.7321   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    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    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  6  0  0  0
  6  5  1  0  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1  7  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  1  0  0  0
S  SKP  7
ID	BMMCACCHk005
NAME	(1S,3R,4S)-3,4-Dihydroxy-cyclohexane-1-carboxylic acid
FORMULA	C7H12O4
EXACTMASS	160.0735
AVERAGEMASS	160.1677
SMILES	OC(=O)[C@@H](C1)C[C@@H](O)[C@@H](O)C1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04687
M  END

</pre>