egonol acetate (CHEBI:69556)

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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	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C21H20O6

Net Charge

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.

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	Type	Source
21939219	PubMed citation	Europe PMC

Last Modified

14 April 2015