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CHEBI:488 - 1,2-campholide

Default Structure
ChEBI IDCHEBI:488
ChEBI Name1,2-campholide
Stars
DefinitionA δ-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively.
Last Modified30 January 2015
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESCC12CCC(CC(=O)O1)C2(C)C
InChIInChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3
InChIKeyAXRMSBLBSHJLGO-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1,2-campholide (CHEBI:488) has role plant metabolite (CHEBI:76924)
1,2-campholide (CHEBI:488) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
5-oxo-1,2-campholide (CHEBI:66953) has functional parent 1,2-campholide (CHEBI:488)
(−)-1,2-campholide (CHEBI:50360) is a 1,2-campholide (CHEBI:488)
IUPAC Name 
1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
Synonym  Source
1,2-CampholideKEGG COMPOUND
Manual XrefsDatabases
C00000834KNApSAcK
C02108KEGG COMPOUND
Registry NumbersSources
Reaxys:120056Reaxys