14729906
  CDK     0910211424

 14 15  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
    3.0789   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -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    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.0313    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
    3.7935    1.0313    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
    3.7935   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    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
    2.3645    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  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  6  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  9  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:179196

> <NAME>
2-Propyl-1,7-dioxaspiro[5.5]undecane

> <STAR>
2

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

> <FORMULA>
C12H22O2

> <MASS>
198.306

> <MONOISOTOPIC_MASS>
198.16198

> <CHARGE>
0

> <SMILES>
O1C2(OCCCC2)CCCC1CCC

> <INCHI>
InChI=1S/C12H22O2/c1-2-6-11-7-5-9-12(14-11)8-3-4-10-13-12/h11H,2-10H2,1H3

> <INCHIKEY>
YXQHYQQMZIVOTI-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK09000030

$$$$