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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-acetoxy-8,10-epoxythymol 3-O-tiglate
ChEBI ID CHEBI:67426
Definition A natural product found in Eupatorium cannabinum subspecies asiaticum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H20O5
Net Charge 0
Average Mass 304.33770
Monoisotopic Mass 304.13107
InChI InChI=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+
InChIKey XRTYDFQPBORLIK-LFYBBSHMSA-N
SMILES C\C=C(/C)C(=O)Oc1cc(C)ccc1C1(COC(C)=O)CO1
Metabolite of Species Details
Eupatorium cannabinum subsp. asiaticum (NCBI:txid102770) Found in aerial part (BTO:0001658). MeOH extract of shade-dried, pulverized aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-butenoate ChEBI
Citation Waiting for Citations Type Source
21391659 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:toluenes(CHEBI:27024); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:epoxide(CHEBI:32955); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);