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CHEBI:133567 - umbelliferone sulfate(1−)

ChEBI IDCHEBI:133567
ChEBI Nameumbelliferone sulfate(1−)
Stars
ASCII Nameumbelliferone sulfate(1-)
DefinitionAn organosulfate oxoanion that is the conjugate base of umbelliferone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified13 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC9H5O6S
Net Charge-1
Average Mass241.200
Monoisotopic Mass240.98123
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)/p-1
InChIKeyLJOOSFYJELZGMR-UHFFFAOYSA-M
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(1−) (CHEBI:133567) has role human urinary metabolite (CHEBI:84087)
umbelliferone sulfate(1−) (CHEBI:133567) has role human xenobiotic metabolite (CHEBI:76967)
umbelliferone sulfate(1−) (CHEBI:133567) has role mouse metabolite (CHEBI:75771)
umbelliferone sulfate(1−) (CHEBI:133567) is a aryl sulfate oxoanion (CHEBI:139371)
umbelliferone sulfate(1−) (CHEBI:133567) is conjugate base of umbelliferone sulfate (CHEBI:133565)
Incoming Relation(s)
umbelliferone sulfate (CHEBI:133565) is conjugate acid of umbelliferone sulfate(1−) (CHEBI:133567)
IUPAC Name 
2-oxo-2H-1-benzopyran-7-yl sulfate
Synonym  Source
7-hydroxycoumarin sulfate(1−)ChEBI
Registry NumbersSources
Reaxys:3682740Reaxys