CHEBI:17730 - quercetin 3-sulfate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C15H10O10S Net Charge 0 Average Mass 382.29990 Monoisotopic Mass 381.99947 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 Manual Xrefs Databases C00004956 KNApSAcK C00616 KEGG COMPOUND CPD-1822 MetaCyc LMPK12112304 LIPID MAPS Quercetin_3-O-sulfate Wikipedia View more database links Registry Numbers Types Sources 60889-05-6 CAS Registry Number ChemIDplus 6669649 Reaxys Registry Number Reaxys Citation Type Source 7411385 PubMed citation Europe PMC Last Modified 28 July 2014