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CHEBI:67426 - 9-acetoxy-8,10-epoxythymol 3-O-tiglate

ChEBI IDCHEBI:67426
ChEBI Name9-acetoxy-8,10-epoxythymol 3-O-tiglate
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC17H20O5
Net Charge0
Average Mass304.342
Monoisotopic Mass304.13107
SMILESC/C=C(\C)C(=O)Oc1cc(C)ccc1C1(COC(C)=O)CO1
InChIInChI=1S/C17H20O5/c1-5-12(3)16(19)22-15-8-11(2)6-7-14(15)17(10-21-17)9-20-13(4)18/h5-8H,9-10H2,1-4H3/b12-5+
InChIKeyXRTYDFQPBORLIK-LFYBBSHMSA-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-epoxythymol 3-O-tiglate (CHEBI:67426) has role metabolite (CHEBI:25212)
9-acetoxy-8,10-epoxythymol 3-O-tiglate (CHEBI:67426) is a benzoate ester (CHEBI:36054)
9-acetoxy-8,10-epoxythymol 3-O-tiglate (CHEBI:67426) is a phenols (CHEBI:33853)
Synonym  Source
2-[2-(Acetoxymethyl)-2-oxiranyl]-5-methylphenyl (2E)-2-methyl-2-butenoateChEBI
Citations