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CHEBI:55349 - deacetyllaurenobiolide

ChEBI IDCHEBI:55349
ChEBI Namedeacetyllaurenobiolide
Stars
DefinitionA germacranolide derived from laurenobiolide by deacetylation.
Last Modified24 September 2014
Submitterzjosephs
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C1C(=O)OC2C/C(C)=C/CC/C(C)=C/[C@H](O)C12
InChIInChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13?,14?/m0/s1
InChIKeyFRDLPOYYWWRSPZ-MCHJIZRYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
deacetyllaurenobiolide (CHEBI:55349) has functional parent laurenobiolide (CHEBI:6390)
deacetyllaurenobiolide (CHEBI:55349) has role allergen (CHEBI:50904)
deacetyllaurenobiolide (CHEBI:55349) has role metabolite (CHEBI:25212)
deacetyllaurenobiolide (CHEBI:55349) is a germacranolide (CHEBI:73011)
IUPAC Name 
(4S,5E,9E)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
Synonym  Source
deacetyl laurenobiolideChEBI
Registry NumbersSources
Beilstein:6999911Beilstein
Citations