Marvin  05100615162D          

 11 12  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  4  1  0  0  0  0
  1  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <ID>
CHEBI:16431

> <NAME>
limonene 1,2-epoxide

> <DEFINITION>
An epoxide resulting from the formal epoxidation of the cyclic double bond of limonene.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14508

> <SYNONYM>
limonene 1,2-oxide; limonene 1,2-epoxide; limonene 1,2-epoxide; 4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane; 1,2-epoxylimonene

> <IUPAC_NAME>
1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane; 1,2-epoxy-p-menth-8-ene

> <FORMULA>
C10H16O

> <MASS>
152.23344

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

> <SMILES>
CC(=C)C1CCC2(C)OC2C1

> <INCHI>
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3

> <INCHIKEY>
CCEFMUBVSUDRLG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
111814

> <CAS_REGISTRY_NUMBER>
1195-92-2

> <REAXYS_REGISTRY_NUMBER>
111814

> <CHEMIDPLUS>
1195-92-2

> <NIST_CHEMISTRY_WEBBOOK>
1195-92-2

> <PUBMED_CITATION>
21925621

$$$$