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CHEBI:165637 - pentyl octanoate
| Formula | C13H26O2 |
| Net Charge | 0 |
| Average Mass | 214.349 |
| Monoisotopic Mass | 214.19328 |
| SMILES | CCCCCCCC(=O)OCCCCC |
| InChI | InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3 |
| InChIKey | GJWGZSBNFSBUPX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Camellia oleifera (ncbitaxon:385388) | seed (BTO:0001226) | PubMed (35011538) | |
| Iris germanica (ncbitaxon:34205) | - | PubMed (31067789) | |
| Corylus avellana (ncbitaxon:13451) | - | PubMed (35310662) | |
| Mangifera indica (ncbitaxon:29780) | - | PubMed (22778629) | Strain: Magnifera Indica cv. Harumanis |
| 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. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentyl octanoate (CHEBI:165637) has functional parent pentan-1-ol (CHEBI:44884) |
| pentyl octanoate (CHEBI:165637) has role flavouring agent (CHEBI:35617) |
| pentyl octanoate (CHEBI:165637) has role plant metabolite (CHEBI:76924) |
| pentyl octanoate (CHEBI:165637) is a octanoate ester (CHEBI:87657) |
| IUPAC Name |
|---|
| pentyl octanoate |
| Synonyms | Source |
|---|---|
| amyl octanoate | ChemIDplus |
| amyl caprylate | ChemIDplus |
| amyl octylate | ChemIDplus |
| amyl octoate | ChemIDplus |
| FEMA 2079 | ChemIDplus |
| octanoic acid pentyl ester | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 55131 | ChemSpider |
| HMDB0036217 | HMDB |
| LMFA07010992 | LIPID MAPS |
| FDB015075 | FooDB |
| Citations |
|---|