EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:746960 - quercetin-3'-O-sulfate

Default Structure
ChEBI IDCHEBI:746960
ChEBI Namequercetin-3'-O-sulfate
Stars
DefinitionMajor species at pH 7.3 (predicted).
Last Modified22 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC15H9O10S
Net Charge-1
Average Mass381.294
Monoisotopic Mass380.99219
SMILESO=c1c(O)c(-c2ccc(O)c(OS(=O)(=O)[O-])c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)/p-1
InChIKeyOSCLBBUATYLBQA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
quercetin-3'-O-sulfate (CHEBI:746960) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate