CHEBI:84279 - vinyl benzoate

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ChEBI Name vinyl benzoate ChEBI ID CHEBI:84279 Definition An enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. 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 C9H8O2 Net Charge 0 Average Mass 148.15860 Monoisotopic Mass 148.05243 InChI InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2 InChIKey KOZCZZVUFDCZGG-UHFFFAOYSA-N SMILES C=COC(=O)c1ccccc1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: MetaboLights Study Homo sapiens (NCBI:txid9606) Metabolite observed in cancer metabolism. See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing vinyl benzoate (CHEBI:84279) has role human metabolite (CHEBI:77746) vinyl benzoate (CHEBI:84279) is a benzoate ester (CHEBI:36054) IUPAC Name ethenyl benzoate Synonym Source benzoic acid vinyl ester ChEBI Registry Numbers Types Sources 2041125 Reaxys Registry Number Reaxys 769-78-8 CAS Registry Number ChemIDplus Citation Type Source 25518943 PubMed citation Europe PMC Last Modified 21 July 2015