Mol:BMMCACXXo004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 12  0  0  1  0  0  0  0  0999 V2000
   -1.4466   -0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -0.7625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1606   -0.4743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1959    0.3500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9906    0.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471   -1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6363   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5186    0.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2331    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321    1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -0.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0488   -1.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  4  0  0  0
  5  1  1  0  0  0  0
  2  6  1  4  0  0  0
  3  7  1  4  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  4  0  0  0
  9 11  2  0  0  0  0
  7 12  2  0  0  0  0
S  SKP  6
ID	BMMCACXXo004
NAME	Iridodial
FORMULA	C10H16O2
EXACTMASS	168.115
AVERAGEMASS	168.2328
SMILES	O=CC(C)[C@@H](C1)[C@H](C=O)[C@@H](C)C1
M  END

</pre>