14271034
  CDK     0829231231

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.0789   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2 10  1  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  9  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:195954

> <NAME>
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane

> <STAR>
2

> <IUPAC_NAME>
8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane

> <FORMULA>
C13H24O2

> <MASS>
212.333

> <MONOISOTOPIC_MASS>
212.17763

> <CHARGE>
0

> <SMILES>
O1C2(OC(CCC2)C)CCCC1CCC

> <INCHI>
InChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3

> <INCHIKEY>
QXUAOIHBLJZVTQ-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK09000035

$$$$