CHEBI:69556 - egonol acetate

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ChEBI Name egonol acetate
ChEBI ID CHEBI:69556
Definition An acetate ester of egonol isolated from the fruits of Styrax agrestis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O6
Net Charge 0
Average Mass 368.37990
Monoisotopic Mass 368.12599
InChI InChI=1S/C21H20O6/c1-13(22)24-7-3-4-14-8-16-11-18(27-21(16)20(9-14)23-2)15-5-6-17-19(10-15)26-12-25-17/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKey KOUYRIXNPBTZIN-UHFFFAOYSA-N
SMILES COc1cc(CCCOC(C)=O)cc2cc(oc12)-c1ccc2OCOc2c1
Metabolite of Species Details
Styrax agrestis (NCBI:txid153522) Found in ripe fruit (PO:0007038). Dried, powdered fruits were extracted with ethylacetate. 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.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing egonol acetate (CHEBI:69556) has functional parent egonol (CHEBI:69558)
egonol acetate (CHEBI:69556) has parent hydride 1-benzofuran (CHEBI:35260)
egonol acetate (CHEBI:69556) has role metabolite (CHEBI:25212)
egonol acetate (CHEBI:69556) has role plant metabolite (CHEBI:76924)
egonol acetate (CHEBI:69556) is a 1-benzofurans (CHEBI:38830)
egonol acetate (CHEBI:69556) is a acetate ester (CHEBI:47622)
egonol acetate (CHEBI:69556) is a aromatic ether (CHEBI:35618)
egonol acetate (CHEBI:69556) is a benzodioxoles (CHEBI:38298)
Incoming 7-demethoxylegonol acetate (CHEBI:69552) has functional parent egonol acetate (CHEBI:69556)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl acetate
Synonym Source
5-(3ʼʼ-acetoxypropyl)-7-methoxy-2-(3ʼ,4ʼ-methylenedioxyphenyl)benzofuran ChEBI
Registry Number Type Source
359824 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21939219 PubMed citation Europe PMC
Last Modified
14 April 2015