CHEBI:69552 - 7-demethoxylegonol acetate

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ChEBI Name 7-demethoxylegonol acetate
ChEBI ID CHEBI:69552
Definition An acetate ester of 7-demethoxylegonol that has been 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.
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Formula C20H18O5
Net Charge 0
Average Mass 338.35390
Monoisotopic Mass 338.11542
InChI InChI=1S/C20H18O5/c1-13(21)22-8-2-3-14-4-6-17-16(9-14)11-19(25-17)15-5-7-18-20(10-15)24-12-23-18/h4-7,9-11H,2-3,8,12H2,1H3
InChIKey IYUKVCGRCMQIPB-UHFFFAOYSA-N
SMILES CC(=O)OCCCc1ccc2oc(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-demethoxylegonol acetate (CHEBI:69552) has functional parent egonol acetate (CHEBI:69556)
7-demethoxylegonol acetate (CHEBI:69552) has parent hydride 1-benzofuran (CHEBI:35260)
7-demethoxylegonol acetate (CHEBI:69552) has role plant metabolite (CHEBI:76924)
7-demethoxylegonol acetate (CHEBI:69552) is a 1-benzofurans (CHEBI:38830)
7-demethoxylegonol acetate (CHEBI:69552) is a acetate ester (CHEBI:47622)
7-demethoxylegonol acetate (CHEBI:69552) is a benzodioxoles (CHEBI:38298)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl acetate
Synonym Source
5-(3-acetoxypropyl)-2-(3,4-methylenedioxyphenyl)benzofuran ChEBI
Registry Number Type Source
10370893 Reaxys Registry Number Reaxys
Citation Type Source
21939219 PubMed citation Europe PMC
Last Modified
09 January 2014