CHEBI:16123 - 6-oxocineole

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ChEBI Name 6-oxocineole
ChEBI ID CHEBI:16123
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12225, CHEBI:20748, CHEBI:2228
Supplier Information
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Formula C10H16O2
Net Charge 0
Average Mass 168.23284
Monoisotopic Mass 168.11503
InChI InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKey CCBAAZXPXFYPBE-OIBJUYFYSA-N
SMILES CC1(C)O[C@]2(C)CC[C@H]1CC2=O
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via cineole )
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ChEBI Ontology
Outgoing 6-oxocineole (CHEBI:16123) is a cineole (CHEBI:23243)
IUPAC Name
(1R,4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one
Synonyms Sources
(-)-1,3,3-Trimethyl-2-oxabicyclo(2.2.1)octan-6-one ChemIDplus
(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one KEGG COMPOUND
(R)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one ChemIDplus
6-Oxocineole KEGG COMPOUND
6-oxocineole UniProt
Manual Xref Database
C00848 KEGG COMPOUND
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Registry Numbers Types Sources
70222-88-7 CAS Registry Number KEGG COMPOUND
70222-88-7 CAS Registry Number ChemIDplus
81893 Beilstein Registry Number Beilstein
Last Modified
13 November 2017