Mol:BMMCACCHq013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    3.7321   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5981   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5 13  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  4  0  0  0
  9 10  1  0  0  0  0
  6 15  1  4  0  0  0
  3 16  2  0  0  0  0
S  SKP  7
ID	BMMCACCHq013
NAME	6-Hydroxy-3-oxo-alpha-ionol
FORMULA	C13H20O3
EXACTMASS	224.1412
AVERAGEMASS	224.296
SMILES	CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04166
M  END

</pre>