egonolbutanoate (CHEBI:69555)

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ChEBI Name	egonolbutanoate

ChEBI ID	CHEBI:69555

Definition	A butanoate 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

C23H24O6

Net Charge

Average Mass

396.43310

Monoisotopic Mass

396.15729

InChI

InChI=1S/C23H24O6/c1-3-5-22(24)26-9-4-6-15-10-17-13-19(29-23(17)21(11-15)25-2)16-7-8-18-20(12-16)28-14-27-18/h7-8,10-13H,3-6,9,14H2,1-2H3

InChIKey

ZIUFRHWVDXFFEI-UHFFFAOYSA-N

SMILES

CCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-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):	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	egonolbutanoate (CHEBI:69555) has functional parent egonol (CHEBI:69558) egonolbutanoate (CHEBI:69555) has parent hydride 1-benzofuran (CHEBI:35260) egonolbutanoate (CHEBI:69555) has role plant metabolite (CHEBI:76924) egonolbutanoate (CHEBI:69555) is a 1-benzofurans (CHEBI:38830) egonolbutanoate (CHEBI:69555) is a aromatic ether (CHEBI:35618) egonolbutanoate (CHEBI:69555) is a benzodioxoles (CHEBI:38298) egonolbutanoate (CHEBI:69555) is a butyrate ester (CHEBI:50477) egonolbutanoate (CHEBI:69555) is a fatty acid ester (CHEBI:35748)

IUPAC Name

3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl butanoate

Synonym	Source
5-(3-butanoyloxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran	ChEBI

Registry Number	Type	Source
10384634	Reaxys Registry Number	Reaxys

Citation	Type	Source
21939219	PubMed citation	Europe PMC

Last Modified

09 January 2014