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CHEBI:2853 - artemorin

ChEBI IDCHEBI:2853
ChEBI Nameartemorin
Stars
DefinitionA germacranolide isolated from Laurus nobilis L..
Last Modified24 September 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O
InChIInChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1
InChIKeyJNHKVMWTQCZYHK-CVZWCJCVSA-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)
artemorin (CHEBI:2853) has role allergen (CHEBI:50904)
artemorin (CHEBI:2853) has role metabolite (CHEBI:25212)
artemorin (CHEBI:2853) is a germacranolide (CHEBI:73011)
IUPAC Name 
(7R,10E)-7-hydroxy-10-methyl-3,6-bis(methylidene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one
Synonym  Source
ArtemorinKEGG COMPOUND
Manual XrefsDatabases
C09345KEGG COMPOUND
C00003222KNApSAcK
Registry NumbersSources
Reaxys:1623173Reaxys
CAS:64845-92-7KEGG COMPOUND
Citations