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CHEBI:67428 - 9-acetoxythymol 3-O-tiglate

ChEBI IDCHEBI:67428
ChEBI Name9-acetoxythymol 3-O-tiglate
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESC/C=C(\C)C(=O)Oc1cc(C)ccc1C(C)COC(C)=O
InChIInChI=1S/C17H22O4/c1-6-12(3)17(19)21-16-9-11(2)7-8-15(16)13(4)10-20-14(5)18/h6-9,13H,10H2,1-5H3/b12-6+
InChIKeyNZQYJWRRXAUWML-WUXMJOGZSA-N
Species of MetaboliteComponentSourceComments
Eupatorium cannabinum subsp. asiaticum (ncbitaxon:102770) aerial part (BTO:0001658) PubMed (21391659) MeOH extract of shade-dried, pulverized aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
9-acetoxythymol 3-O-tiglate (CHEBI:67428) has role metabolite (CHEBI:25212)
9-acetoxythymol 3-O-tiglate (CHEBI:67428) is a monoterpenoid (CHEBI:25409)
Synonym  Source
2-(1-Acetoxy-2-propanyl)-5-methylphenyl (2E)-2-methyl-2-butenoateChEBI
Citations