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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:84279 - vinyl benzoate
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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