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CHEBI:89875 - methyl 3-phenylpropanoate
| Formula | C10H12O2 |
| Net Charge | 0 |
| Average Mass | 164.204 |
| Monoisotopic Mass | 164.08373 |
| SMILES | COC(=O)CCc1ccccc1 |
| InChI | InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) | |
| Senecio nutans (ncbitaxon:2841769) | aerial part (BTO:0001658) | PubMed (27795930) | |
| Piper lolot (ncbitaxon:247689) | leaf (BTO:0000713) | PubMed (17941696) | |
| Cucumis melo (ncbitaxon:3656) | - | PubMed (11743787) | Strain: Cucumis melo cv. Athena |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl 3-phenylpropanoate (CHEBI:89875) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| methyl 3-phenylpropanoate (CHEBI:89875) has role flavouring agent (CHEBI:35617) |
| methyl 3-phenylpropanoate (CHEBI:89875) has role human metabolite (CHEBI:77746) |
| methyl 3-phenylpropanoate (CHEBI:89875) has role volatile oil component (CHEBI:27311) |
| methyl 3-phenylpropanoate (CHEBI:89875) is a benzenes (CHEBI:22712) |
| methyl 3-phenylpropanoate (CHEBI:89875) is a methyl ester (CHEBI:25248) |
| IUPAC Name |
|---|
| methyl 3-phenylpropanoate |
| Synonyms | Source |
|---|---|
| methyl benzenepropanoate | ChemIDplus |
| benzenepropanoic acid, methyl ester | ChemIDplus |
| hydrocinnamic acid methyl ester | ChEBI |
| methyl β-phenylpropionate | ChemIDplus |
| dihydrocinnamic acid methyl ester | ChEBI |
| methyl 3-phenylpropionate | ChemIDplus |
| UniProt Name | Source |
|---|---|
| 3-phenylpropanoic acid methyl ester | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030060 | HMDB |
| FDB001368 | FooDB |
| LMFA07010951 | LIPID MAPS |
| Citations |
|---|