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

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ChEBI Name 9-acetoxy-8,10-dehydrothymol 3-O-tiglate
ChEBI ID CHEBI:67427
Definition A natural product found in Eupatorium cannabinum subspecies asiaticum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H20O4
Net Charge 0
Average Mass 288.33830
Monoisotopic Mass 288.13616
InChI InChI=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+
InChIKey YQTJNXJVGGXRFW-WUXMJOGZSA-N
SMILES C\C=C(/C)C(=O)Oc1cc(C)ccc1C(=C)COC(C)=O
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.
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ChEBI Ontology
Outgoing 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-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:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:toluenes(CHEBI:27024); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);