CHEBI:58254 - quercetin 3-sulfate(2−)

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ChEBI Name quercetin 3-sulfate(2−)
ChEBI ID CHEBI:58254
ChEBI ASCII Name quercetin 3-sulfate(2-)
Definition A flavonoid oxoanion arising from deprotonation of the 7-hydroxy and sufo groups of quercetin 3-sulfate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H8O10S
Net Charge -2
Average Mass 380.28300
Monoisotopic Mass 379.98491
InChI InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)/p-2
InChIKey DNAYVNOVGHZZLH-UHFFFAOYSA-L
SMILES Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O
ChEBI Ontology
Outgoing quercetin 3-sulfate(2−) (CHEBI:58254) is a aryl sulfate oxoanion (CHEBI:139371)
quercetin 3-sulfate(2−) (CHEBI:58254) is a flavonoid oxoanion (CHEBI:60038)
quercetin 3-sulfate(2−) (CHEBI:58254) is conjugate base of quercetin 3-sulfate (CHEBI:17730)
Incoming quercetin 3-sulfate (CHEBI:17730) is conjugate acid of quercetin 3-sulfate(2−) (CHEBI:58254)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-3-yl sulfate
Synonyms Sources
quercetin 3-sulfate UniProt
quercetin 3-sulfate dianion ChEBI
Manual Xref Database
CPD-1822 MetaCyc
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Last Modified
13 February 2018