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CHEBI:156233 - phenethyl benzoate
| Formula | C15H14O2 |
| Net Charge | 0 |
| Average Mass | 226.275 |
| Monoisotopic Mass | 226.09938 |
| SMILES | O=C(OCCc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | OSORMYZMWHVFOZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nicotiana bonariensis (ncbitaxon:118694) | - | PubMed (16843507) | |
| Citharexylum spinosum (ncbitaxon:222865) | flower (BTO:0000469) | PubMed (27685082) | |
| Plumeria rubra (ncbitaxon:62097) | flower (BTO:0000469) | DOI (10.1080/10412905.2006.9699182) |
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. 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) |
| phenethyl benzoate (CHEBI:156233) has functional parent 2-phenylethanol (CHEBI:49000) |
| phenethyl benzoate (CHEBI:156233) has functional parent benzoic acid (CHEBI:30746) |
| phenethyl benzoate (CHEBI:156233) has role plant metabolite (CHEBI:76924) |
| phenethyl benzoate (CHEBI:156233) has role volatile oil component (CHEBI:27311) |
| phenethyl benzoate (CHEBI:156233) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| 2-phenylethyl benzoate |
| Synonyms | Source |
|---|---|
| phenylethyl benzoate | MetaCyc |
| benzoic acid, 2-phenylethyl ester | ChemIDplus |
| benzyl carbinyl benzoate | ChemIDplus |
| benzoic acid, phenethyl ester | ChemIDplus |
| benzoic acid 2-phenylethyl ester | ChEBI |
| benzylcarbinyl benzoate | ChemIDplus |
| UniProt Name | Source |
|---|---|
| phenethyl benzoate | UniProt |
| Citations |
|---|