15840278
  CDK     0910211425

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.7935    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  2  7  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
 11 12  2  0  0  0  0 
M  END
> <ID>
CHEBI:180220

> <NAME>
4-Hydroxy-2,6-dimethyl-7-octen-3-one

> <STAR>
2

> <IUPAC_NAME>
4-hydroxy-2,6-dimethyloct-7-en-3-one

> <FORMULA>
C10H18O2

> <MASS>
170.252

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
OC(CC(C)C=C)C(=O)C(C)C

> <INCHI>
InChI=1S/C10H18O2/c1-5-8(4)6-9(11)10(12)7(2)3/h5,7-9,11H,1,6H2,2-4H3

> <INCHIKEY>
HMGXDXWZMSVPMW-UHFFFAOYSA-N

$$$$