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CHEBI:84279 - vinyl benzoate

ChEBI IDCHEBI:84279
ChEBI Namevinyl benzoate
Stars
DefinitionAn enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism.
Last Modified21 July 2015
Submitternamrata
DownloadsMolfile
FormulaC9H8O2
Net Charge0
Average Mass148.161
Monoisotopic Mass148.05243
SMILESC=COC(=O)c1ccccc1
InChIInChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyKOZCZZVUFDCZGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 esterChEBI
Registry NumbersSources
Reaxys:2041125Reaxys
CAS:769-78-8ChemIDplus
Citations