1713001
  CDK     0118241600

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.0790    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  6  2  0  0  0  0 
  3  9  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 10  2  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:229389

> <NAME>
5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)-

> <STAR>
2

> <IUPAC_NAME>
(5Z)-6,10-dimethylundeca-5,9-dien-2-one

> <FORMULA>
C13H22O

> <MASS>
194.318

> <MONOISOTOPIC_MASS>
194.16707

> <CHARGE>
0

> <SMILES>
O=C(CC/C=C(\CCC=C(C)C)/C)C

> <INCHI>
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-

> <INCHIKEY>
HNZUNIKWNYHEJJ-XFXZXTDPSA-N

$$$$