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CHEBI:67427 - 9-acetoxy-8,10-dehydrothymol 3-O-tiglate

ChEBI IDCHEBI:67427
ChEBI Name9-acetoxy-8,10-dehydrothymol 3-O-tiglate
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC17H20O4
Net Charge0
Average Mass288.343
Monoisotopic Mass288.13616
SMILESC=C(COC(C)=O)c1ccc(C)cc1OC(=O)/C(C)=C/C
InChIInChI=1S/C17H20O4/c1-6-12(3)17(19)21-16-9-11(2)7-8-15(16)13(4)10-20-14(5)18/h6-9H,4,10H2,1-3,5H3/b12-6+
InChIKeyYQTJNXJVGGXRFW-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-acetoxy-8,10-dehydrothymol 3-O-tiglate (CHEBI:67427) has role metabolite (CHEBI:25212)
9-acetoxy-8,10-dehydrothymol 3-O-tiglate (CHEBI:67427) is a benzoate ester (CHEBI:36054)
9-acetoxy-8,10-dehydrothymol 3-O-tiglate (CHEBI:67427) is a phenols (CHEBI:33853)
Synonym  Source
2-(3-Acetoxy-1-propen-2-yl)-5-methylphenyl (2E)-2-methyl-2-butenoateChEBI
Citations