CHEBI:133565 - umbelliferone sulfate

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ChEBI Name umbelliferone sulfate ChEBI ID CHEBI:133565 Definition A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H6O6S Net Charge 0 Average Mass 242.207 Monoisotopic Mass 241.98851 InChI InChI=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) InChIKey LJOOSFYJELZGMR-UHFFFAOYSA-N SMILES OS(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Homo sapiens (NCBI:txid9606) Found in urine See: PubMed Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources 7-hydroxycoumarin sulfate ChEBI 7-Hydroxycoumarin sulfate ester ChemIDplus 7-sulfooxycoumarin ChEBI Registry Numbers Types Sources 21797 Reaxys Registry Number Reaxys 69526-88-1 CAS Registry Number ChemIDplus Citation Type Source 9800648 PubMed citation Europe PMC Last Modified 20 August 2019