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CHEBI:82931 - 4-vinylphenol sulfate

ChEBI IDCHEBI:82931
ChEBI Name4-vinylphenol sulfate
Stars
DefinitionAn aryl sulfate that is 4-hydroxystyrene in which the hydroxy group has been replaced by a sulfooxy group.
Last Modified13 October 2016
Submitternamrata
DownloadsMolfile
FormulaC8H8O4S
Net Charge0
Average Mass200.215
Monoisotopic Mass200.01433
SMILESC=Cc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11)
InChIKeyIETVQHUKTKKBFF-UHFFFAOYSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
4-vinylphenol sulfate (CHEBI:82931) has functional parent 4-hydroxystyrene (CHEBI:1883)
4-vinylphenol sulfate (CHEBI:82931) has role human xenobiotic metabolite (CHEBI:76967)
4-vinylphenol sulfate (CHEBI:82931) is a aryl sulfate (CHEBI:37919)
4-vinylphenol sulfate (CHEBI:82931) is a styrenes (CHEBI:26799)
4-vinylphenol sulfate (CHEBI:82931) is conjugate acid of 4-vinylphenol sulfate(1−) (CHEBI:133676)
Incoming Relation(s)
4-vinylphenol sulfate(1−) (CHEBI:133676) is conjugate base of 4-vinylphenol sulfate (CHEBI:82931)
IUPAC Name 
4-ethenylphenyl hydrogen sulfate
Citations