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CHEBI:133565 - umbelliferone sulfate

ChEBI IDCHEBI:133565
ChEBI Nameumbelliferone sulfate
Stars
DefinitionA member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group.
Last Modified20 August 2019
SubmitterSteve
DownloadsMolfile
FormulaC9H6O6S
Net Charge0
Average Mass242.208
Monoisotopic Mass241.98851
SMILESO=c1ccc2ccc(OS(=O)(=O)O)cc2o1
InChIInChI=1S/C9H6O6S/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H,11,12,13)
InChIKeyLJOOSFYJELZGMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (9800648)
Mus musculus (ncbitaxon:10090) - PubMed (9800648)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
umbelliferone sulfate (CHEBI:133565) has functional parent umbelliferone (CHEBI:27510)
umbelliferone sulfate (CHEBI:133565) has role human urinary metabolite (CHEBI:84087)
umbelliferone sulfate (CHEBI:133565) has role human xenobiotic metabolite (CHEBI:76967)
umbelliferone sulfate (CHEBI:133565) has role mouse metabolite (CHEBI:75771)
umbelliferone sulfate (CHEBI:133565) is a aryl sulfate (CHEBI:37919)
umbelliferone sulfate (CHEBI:133565) is a coumarins (CHEBI:23403)
umbelliferone sulfate (CHEBI:133565) is conjugate acid of umbelliferone sulfate(1−) (CHEBI:133567)
Incoming Relation(s)
4-methylumbelliferone sulfate (CHEBI:1905) has functional parent umbelliferone sulfate (CHEBI:133565)
umbelliferone sulfate(1−) (CHEBI:133567) is conjugate base of umbelliferone sulfate (CHEBI:133565)
IUPAC Name 
2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate
Synonyms  Source
7-Hydroxycoumarin sulfate esterChemIDplus
7-hydroxycoumarin sulfateChEBI
7-sulfooxycoumarinChEBI
Registry NumbersSources
Reaxys:21797Reaxys
CAS:69526-88-1ChemIDplus
Citations