Quercetin 3,7-di-O-sulfate (CHEBI:187546)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Quercetin 3,7-di-O-sulfate

ChEBI ID	CHEBI:187546

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H10O13S2

Net Charge

Average Mass

462.350

Monoisotopic Mass

461.95628

InChI

InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)

InChIKey

WFXOPUUONQJQRD-UHFFFAOYSA-N

SMILES

S(OC1=C(OC=2C(C1=O)=C(O)C=C(OS(O)(=O)=O)C2)C3=CC(O)=C(O)C=C3)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Quercetin 3,7-di-O-sulfate (CHEBI:187546) is a flavones (CHEBI:24043)

IUPAC Name

[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-sulooxychromen-7-yl] hydrogen sulate