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CHEBI:58254 - quercetin 3-sulfate(2−)

Default Structure
ChEBI IDCHEBI:58254
ChEBI Namequercetin 3-sulfate(2−)
Stars
ASCII Namequercetin 3-sulfate(2-)
DefinitionA flavonoid oxoanion arising from deprotonation of the 7-hydroxy and sufo groups of quercetin 3-sulfate; major species at pH 7.3.
Last Modified13 February 2018
DownloadsMolfile
FormulaC15H8O10S
Net Charge-2
Average Mass380.286
Monoisotopic Mass379.98491
SMILESO=c1c(OS(=O)(=O)[O-])c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12
InChIInChI=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
InChIKeyDNAYVNOVGHZZLH-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
quercetin 3-sulfate dianionChEBI
UniProt Name  Source
quercetin 3-sulfateUniProt
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CPD-1822MetaCyc