egonol-2-methylpropanoate (CHEBI:69554)

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ChEBI Name	egonol-2-methylpropanoate

ChEBI ID	CHEBI:69554

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

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

Supplier Information

Download	Molfile XML SDF

Formula

C23H24O6

Net Charge

Average Mass

396.43310

Monoisotopic Mass

396.15729

InChI

InChI=1S/C23H24O6/c1-14(2)23(24)26-8-4-5-15-9-17-12-19(29-22(17)21(10-15)25-3)16-6-7-18-20(11-16)28-13-27-18/h6-7,9-12,14H,4-5,8,13H2,1-3H3

InChIKey

MOIMOJLRMXIUDV-UHFFFAOYSA-N

SMILES

COc1cc(CCCOC(=O)C(C)C)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):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	egonol-2-methylpropanoate (CHEBI:69554) has functional parent egonol (CHEBI:69558) egonol-2-methylpropanoate (CHEBI:69554) has functional parent isobutyric acid (CHEBI:16135) egonol-2-methylpropanoate (CHEBI:69554) has parent hydride 1-benzofuran (CHEBI:35260) egonol-2-methylpropanoate (CHEBI:69554) has role metabolite (CHEBI:25212) egonol-2-methylpropanoate (CHEBI:69554) has role plant metabolite (CHEBI:76924) egonol-2-methylpropanoate (CHEBI:69554) is a 1-benzofurans (CHEBI:38830) egonol-2-methylpropanoate (CHEBI:69554) is a aromatic ether (CHEBI:35618) egonol-2-methylpropanoate (CHEBI:69554) is a benzodioxoles (CHEBI:38298) egonol-2-methylpropanoate (CHEBI:69554) is a fatty acid ester (CHEBI:35748)

IUPAC Name

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

Registry Number	Type	Source
22007788	Reaxys Registry Number	Reaxys

Citation	Type	Source
21939219	PubMed citation	Europe PMC

Last Modified

02 December 2013