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CHEBI:69548 - egonol oleate

ChEBI IDCHEBI:69548
ChEBI Nameegonol oleate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of egonol with oleic acid. It has been isolated from the fruits of Styrax agrestis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC37H50O6
Net Charge0
Average Mass590.801
Monoisotopic Mass590.36074
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C37H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h10-11,21-22,24-27H,3-9,12-20,23,28H2,1-2H3/b11-10-
InChIKeyGVZWPCDBHBSBHJ-KHPPLWFESA-N
Species of MetaboliteComponentSourceComments
Styrax agrestis (ncbitaxon:153522) ripe fruit (PO:0007038) PubMed (21939219) Dried, powdered fruits were extracted with ethylacetate.
Roles Classification
Biological Role:
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 oleate (CHEBI:69548) has functional parent egonol (CHEBI:69558)
egonol oleate (CHEBI:69548) has functional parent oleic acid (CHEBI:16196)
egonol oleate (CHEBI:69548) has parent hydride 1-benzofuran (CHEBI:35260)
egonol oleate (CHEBI:69548) has role plant metabolite (CHEBI:76924)
egonol oleate (CHEBI:69548) is a 1-benzofurans (CHEBI:38830)
egonol oleate (CHEBI:69548) is a aromatic ether (CHEBI:35618)
egonol oleate (CHEBI:69548) is a benzodioxoles (CHEBI:38298)
egonol oleate (CHEBI:69548) is a fatty acid ester (CHEBI:35748)
Incoming Relation(s)
7-demethoxyegonol oleate (CHEBI:69549) has functional parent egonol oleate (CHEBI:69548)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl (9Z)-octadec-9-enoate
Registry NumbersSources
Reaxys:15889611Reaxys
Citations