CHEBI:89875 - methyl 3-phenylpropanoate

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ChEBI Name methyl 3-phenylpropanoate ChEBI ID CHEBI:89875 Definition A methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H12O2 Net Charge 0 Average Mass 164.204 Monoisotopic Mass 164.08373 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 SMILES COC(=O)CCC1=CC=CC=C1 Metabolite of Species Details Piper lolot (NCBI:txid247689) Found in leaf (BTO:0000713). See: PubMed Senecio nutans (NCBI:txid2841769) Found in aerial part (BTO:0001658). See: PubMed Cucumis melo (NCBI:txid3656) of strain Cucumis melo cv. Athena See: PubMed Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed Roles Classification Biological Role(s): volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. flavouring agent A food additive that is used to added improve the taste or odour of a food. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Application(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 3-phenylpropanoic acid methyl ester UniProt 3-phenylpropanoic acid methyl ester ChEBI 3-phenylpropionic acid methyl ester ChEBI benzenepropanoic acid methyl ester ChEBI benzenepropanoic acid, methyl ester ChemIDplus β-phenylpropionic acid methyl ester ChemIDplus dihydrocinnamic acid methyl ester ChEBI FEMA 2741 HMDB hydrocinnamic acid methyl ester ChEBI hydrocinnamic acid, methyl ester HMDB methyl 3-phenylpropionate ChemIDplus methyl benzenepropanoate ChemIDplus methyl β-phenylpropionate ChemIDplus methyl dihydrocinnamate ChemIDplus methyl hydrocinnamate ChemIDplus Manual Xrefs Databases FDB001368 FooDB HMDB0030060 HMDB LMFA07010951 LIPID MAPS View more database links Registry Numbers Types Sources 103-25-3 CAS Registry Number NIST Chemistry WebBook 103-25-3 CAS Registry Number ChemIDplus 1909591 Reaxys Registry Number Reaxys Citations Types Sources 11743787 PubMed citation Europe PMC 1498250 PubMed citation Europe PMC 17314143 PubMed citation Europe PMC 17927202 PubMed citation Europe PMC 17941696 PubMed citation Europe PMC 17951447 PubMed citation Europe PMC 19702168 PubMed citation Europe PMC 23871045 PubMed citation Europe PMC 26332417 PubMed citation Europe PMC 27795930 PubMed citation Europe PMC 28456625 PubMed citation Europe PMC 28815903 PubMed citation Europe PMC Last Modified 28 November 2022