CDK    9/10/12,15:49

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.6834   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -0.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2709    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9359   -0.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6518    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692   -1.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742   -1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536   -1.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  2  3  1  0  0  0  0 
  6  8  1  0  0  0  0 
  3  4  1  0  0  0  0 
  7  9  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1 10  1  0  0  0  0 
  5  1  1  0  0  0  0 
  2 11  1  0  0  0  0 
  1  2  1  0  0  0  0 
 11 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:67880

> <NAME>
(4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-1,3-dioxolane

> <DEFINITION>
A natural product found in Triatoma brasiliensis and Triatoma infestans. 

> <STAR>
2

> <FORMULA>
C10H20O2

> <MASS>
172.26460

> <MONOISOTOPIC_MASS>
172.14633

> <CHARGE>
0

> <SMILES>
CCC1OC(CC)(CC)OC1C

> <INCHI>
InChI=1S/C10H20O2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h8-9H,5-7H2,1-4H3

> <INCHIKEY>
YGCDEVNIIFDSNC-UHFFFAOYSA-N

> <PUBMED_CITATION>
21486009

$$$$