CHEBI:17730 - quercetin 3-sulfate

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ChEBI Name quercetin 3-sulfate
ChEBI ID CHEBI:17730
Definition A quercetin sulfate with a sulfo group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8703, CHEBI:14995, CHEBI:26479
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Formula C15H10O10S
Net Charge 0
Average Mass 382.29990
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)
InChIKey DNAYVNOVGHZZLH-UHFFFAOYSA-N
SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OS(O)(=O)=O)c2=O
ChEBI Ontology
Outgoing quercetin 3-sulfate (CHEBI:17730) is a quercetin sulfate (CHEBI:26482)
quercetin 3-sulfate (CHEBI:17730) is a tetrahydroxyflavone (CHEBI:38684)
quercetin 3-sulfate (CHEBI:17730) is conjugate acid of quercetin 3-sulfate(2−) (CHEBI:58254)
Incoming quercetin 3-sulfate(2−) (CHEBI:58254) is conjugate base of quercetin 3-sulfate (CHEBI:17730)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hydrogen sulfate
Synonyms Sources
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(sulfooxy) ChemIDplus
quercetin 3-(hydrogen sulfate) ChEBI
quercetin 3-monosulphate ChEBI
quercetin 3-O-sulfate ChEBI
Quercetin 3-sulfate KEGG COMPOUND
Database Links Databases
C00004956 KNApSAcK
C00616 KEGG COMPOUND
CPD-1822 MetaCyc
LMPK12112304 LIPID MAPS
Quercetin_3-O-sulfate Wikipedia
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Registry Numbers Types Sources
60889-05-6 CAS Registry Number ChemIDplus
6669649 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7411385 PubMed citation CiteXplore
Last Modified
28 July 2014