12705588
  CDK     0910211425

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.3644    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:180242

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

> <STAR>
2

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

> <FORMULA>
C10H18O2

> <MASS>
170.252

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
O1C2(OCCCC2)CCCC1C

> <INCHI>
InChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3

> <INCHIKEY>
SXANEOXSBPWLFG-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK09000016

$$$$