EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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: | 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 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 |
|---|