CHEBI:58305 - quercetin 3,3'-bissulfate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quercetin 3,3'-bissulfate(3−)
ChEBI ID CHEBI:58305
ChEBI ASCII Name quercetin 3,3'-bissulfate(3-)
Definition A flavonoid oxoanion arising from deprotonation of the sulfo and 7-hydroxy groups of quercetin 3,3'-bissulfate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H7O13S2
Net Charge -3
Average Mass 459.33800
Monoisotopic Mass 458.93445
InChI InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)/p-3
InChIKey CVENNDDRCHLONB-UHFFFAOYSA-K
SMILES Oc1ccc(cc1OS([O-])(=O)=O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O
ChEBI Ontology
Outgoing quercetin 3,3'-bissulfate(3−) (CHEBI:58305) is a aryl sulfate oxoanion (CHEBI:139371)
quercetin 3,3'-bissulfate(3−) (CHEBI:58305) is a flavonoid oxoanion (CHEBI:60038)
quercetin 3,3'-bissulfate(3−) (CHEBI:58305) is conjugate base of quercetin 3,3'-bissulfate (CHEBI:17875)
Incoming quercetin 3,3'-bissulfate (CHEBI:17875) is conjugate acid of quercetin 3,3'-bissulfate(3−) (CHEBI:58305)
IUPAC Name
2-hydroxy-5-[5-hydroxy-7-oxido-4-oxo-3-(sulfonatooxy)-4H-chromen-2-yl]phenyl sulfate
Synonyms Sources
quercetin 3,3'-bissulfate UniProt
quercetin 3,3'-bissulfate trianion ChEBI
Manual Xref Database
QUERCETIN-33-BISSULFATE MetaCyc
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Last Modified
13 February 2018