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CHEBI:194237 - 3-hexenyl isovalerate
| Formula | C11H20O2 |
| Net Charge | 0 |
| Average Mass | 184.279 |
| Monoisotopic Mass | 184.14633 |
| SMILES | [H]C(CC)=C([H])CCOC(=O)CC(C)C |
| InChI | InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3 |
| InChIKey | AIQLNKITFBJPFO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Erigeron annuus (ncbitaxon:91248) | - | PubMed (23982679) |
| 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) |
| 3-hexenyl isovalerate (CHEBI:194237) has functional parent hex-3-en-1-ol (CHEBI:145715) |
| 3-hexenyl isovalerate (CHEBI:194237) has functional parent isovaleric acid (CHEBI:28484) |
| 3-hexenyl isovalerate (CHEBI:194237) has role flavouring agent (CHEBI:35617) |
| 3-hexenyl isovalerate (CHEBI:194237) has role plant metabolite (CHEBI:76924) |
| 3-hexenyl isovalerate (CHEBI:194237) is a fatty acid ester (CHEBI:35748) |
| 3-hexenyl isovalerate (CHEBI:194237) is a olefinic compound (CHEBI:78840) |
| Incoming Relation(s) |
| cis-3-hexenyl isovalerate (CHEBI:172060) is a 3-hexenyl isovalerate (CHEBI:194237) |
| trans-3-hexenyl isovalerate (CHEBI:194238) is a 3-hexenyl isovalerate (CHEBI:194237) |
| IUPAC Name |
|---|
| hex-3-en-1-yl 3-methylbutanoate |
| Synonyms | Source |
|---|---|
| 3-hexenyl 3-methylbutanoate | ChEBI |
| 3-hexen-1-yl isovalerate | ChEBI |
| 3-hexen-1-yl 3-methylbutanoate | ChEBI |
| 3-methylbutanoic acid 3-hexenyl ester | ChEBI |
| isovaleric acid 3-hexenyl ester | ChEBI |
| 3-methylbutanoic acid 3-hexen-1-yl ester | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 34011 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:30173968 | Reaxys |
| CAS:10032-11-8 | ChemIDplus |
| CAS:10032-11-8 | NIST Chemistry WebBook |
| Citations |
|---|