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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:1883 - 4-hydroxystyrene
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ChEBI Ontology
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ChEBI Name
4-hydroxystyrene
ChEBI ID
CHEBI:1883
Definition
A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O
Net Charge
0
Average Mass
120.14852
Monoisotopic Mass
120.05751
InChI
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChIKey
FUGYGGDSWSUORM-UHFFFAOYSA-N
SMILES
Oc1ccc(C=C)cc1
Roles Classification
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-hydroxystyrene (
CHEBI:1883
)
has parent hydride
styrene (
CHEBI:27452
)
4-hydroxystyrene (
CHEBI:1883
)
has role
human urinary metabolite (
CHEBI:84087
)
4-hydroxystyrene (
CHEBI:1883
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
4-hydroxystyrene (
CHEBI:1883
)
is a
phenols (
CHEBI:33853
)
Incoming
4-vinylphenol sulfate (
CHEBI:82931
)
has functional parent
4-hydroxystyrene (
CHEBI:1883
)
IUPAC Name
4-ethenylphenol
Synonyms
Sources
4-hydroxystyrene
UniProt
4-Hydroxystyrene
KEGG COMPOUND
4-Vinylphenol
KEGG COMPOUND
p-Hydroxystyrene
ChemIDplus
p-Vinylphenol
ChemIDplus
Manual Xrefs
Databases
C05627
KEGG COMPOUND
CPD-1075
MetaCyc
HMDB0004072
HMDB
View more database links
Registry Numbers
Types
Sources
2628-17-3
CAS Registry Number
ChemIDplus
2628-17-3
CAS Registry Number
NIST Chemistry WebBook
506844
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11497334
PubMed citation
Europe PMC
12791301
PubMed citation
Europe PMC
23081771
PubMed citation
Europe PMC
Last Modified
07 October 2016