egonolpropanoate (CHEBI:69553)

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ChEBI Name	egonolpropanoate

ChEBI ID	CHEBI:69553

Definition	A fatty acid ester obtained by the formal condensation of egonol with propionic acid. It has been isolated from the fruits of Styrax agrestis.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000072125989

Download	Molfile XML SDF

Formula

C22H22O6

Net Charge

Average Mass

382.40650

Monoisotopic Mass

382.14164

InChI

InChI=1S/C22H22O6/c1-3-21(23)25-8-4-5-14-9-16-12-18(28-22(16)20(10-14)24-2)15-6-7-17-19(11-15)27-13-26-17/h6-7,9-12H,3-5,8,13H2,1-2H3

InChIKey

XDGRTOUNCQCWMA-UHFFFAOYSA-N

SMILES

CCC(=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	egonolpropanoate (CHEBI:69553) has functional parent egonol (CHEBI:69558) egonolpropanoate (CHEBI:69553) has functional parent propionic acid (CHEBI:30768) egonolpropanoate (CHEBI:69553) has parent hydride 1-benzofuran (CHEBI:35260) egonolpropanoate (CHEBI:69553) has role plant metabolite (CHEBI:76924) egonolpropanoate (CHEBI:69553) is a 1-benzofurans (CHEBI:38830) egonolpropanoate (CHEBI:69553) is a aromatic ether (CHEBI:35618) egonolpropanoate (CHEBI:69553) is a benzodioxoles (CHEBI:38298) egonolpropanoate (CHEBI:69553) is a fatty acid ester (CHEBI:35748)

IUPAC Name

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

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

Registry Number	Type	Source
20716406	Reaxys Registry Number	Reaxys

Citation

Last Modified

09 January 2014