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CHEBI:69556 - egonol acetate
| Formula | C21H20O6 |
| Net Charge | 0 |
| Average Mass | 368.385 |
| Monoisotopic Mass | 368.12599 |
| SMILES | COc1cc(CCCOC(C)=O)cc2cc(-c3ccc4c(c3)OCO4)oc12 |
| InChI | InChI=1S/C21H20O6/c1-13(22)24-7-3-4-14-8-16-11-18(27-21(16)20(9-14)23-2)15-5-6-17-19(10-15)26-12-25-17/h5-6,8-11H,3-4,7,12H2,1-2H3 |
| InChIKey | KOUYRIXNPBTZIN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 acetate (CHEBI:69556) has functional parent egonol (CHEBI:69558) |
| egonol acetate (CHEBI:69556) has parent hydride 1-benzofuran (CHEBI:35260) |
| egonol acetate (CHEBI:69556) has role metabolite (CHEBI:25212) |
| egonol acetate (CHEBI:69556) has role plant metabolite (CHEBI:76924) |
| egonol acetate (CHEBI:69556) is a 1-benzofurans (CHEBI:38830) |
| egonol acetate (CHEBI:69556) is a acetate ester (CHEBI:47622) |
| egonol acetate (CHEBI:69556) is a aromatic ether (CHEBI:35618) |
| egonol acetate (CHEBI:69556) is a benzodioxoles (CHEBI:38298) |
| Incoming Relation(s) |
| 7-demethoxylegonol acetate (CHEBI:69552) has functional parent egonol acetate (CHEBI:69556) |
| IUPAC Name |
|---|
| 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl acetate |
| Synonym | Source |
|---|---|
| 5-(3''-acetoxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)benzofuran | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:359824 | Reaxys |
| Citations |
|---|