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CHEBI:69554 - egonol-2-methylpropanoate

Default Structure
ChEBI IDCHEBI:69554
ChEBI Nameegonol-2-methylpropanoate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of egonol with isobutyric acid. It has been isolated from the fruits of Styrax agrestis.
Last Modified2 December 2013
DownloadsMolfile
FormulaC23H24O6
Net Charge0
Average Mass396.439
Monoisotopic Mass396.15729
SMILESCOc1cc(CCCOC(=O)C(C)C)cc2cc(-c3ccc4c(c3)OCO4)oc12
InChIInChI=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
InChIKeyMOIMOJLRMXIUDV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Styrax agrestis (ncbitaxon:153522) ripe fruit (PO:0007038) PubMed (21939219) Dried, powdered fruits were extracted with ethylacetate.
Roles Classification
Biological Roles:
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 Relation(s)
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 NumbersSources
Reaxys:22007788Reaxys
Citations