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CHEBI:6390 - laurenobiolide

ChEBI IDCHEBI:6390
ChEBI Namelaurenobiolide
Stars
DefinitionA germacranolide isolated from Laurus nobilis L. and which has been shown to exhibit allergenic activity.
Last Modified24 September 2014
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESC=C1C(=O)OC2C/C(C)=C/CC/C(C)=C/[C@H](OC(C)=O)C12
InChIInChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15?,16?/m0/s1
InChIKeyORJVLIMAQARNOU-LXNAOKSISA-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)
laurenobiolide (CHEBI:6390) has role allergen (CHEBI:50904)
laurenobiolide (CHEBI:6390) has role metabolite (CHEBI:25212)
laurenobiolide (CHEBI:6390) is a germacranolide (CHEBI:73011)
Incoming Relation(s)
deacetyllaurenobiolide (CHEBI:55349) has functional parent laurenobiolide (CHEBI:6390)
IUPAC Name 
[(4S,5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] acetate
Synonym  Source
LaurenobiolideKEGG COMPOUND
Manual XrefsDatabases
C09492KEGG COMPOUND
C00003314KNApSAcK
Registry NumbersSources
Reaxys:7000904Reaxys
CAS:35001-25-3KEGG COMPOUND
Citations