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CHEBI:16123 - 6-oxocineole

Default Structure
ChEBI IDCHEBI:16123
ChEBI Name6-oxocineole
Stars
Secondary ChEBI IDsCHEBI:2228, CHEBI:12225, CHEBI:20748
Last Modified13 November 2017
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESCC1(C)O[C@]2(C)CC[C@H]1CC2=O
InChIInChI=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
InChIKeyCCBAAZXPXFYPBE-OIBJUYFYSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(-)-1,3,3-Trimethyl-2-oxabicyclo(2.2.1)octan-6-oneChemIDplus
(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-oneKEGG COMPOUND
6-OxocineoleKEGG COMPOUND
(R)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-oneChemIDplus
UniProt Name  Source
6-oxocineoleUniProt
Manual XrefsDatabases
C00848KEGG COMPOUND
Registry NumbersSources
Beilstein:81893Beilstein
CAS:70222-88-7KEGG COMPOUND
CAS:70222-88-7ChemIDplus