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

ChEBI IDCHEBI:58305
ChEBI Namequercetin 3,3'-bissulfate(3−)
Stars
ASCII Namequercetin 3,3'-bissulfate(3-)
DefinitionA flavonoid oxoanion arising from deprotonation of the sulfo and 7-hydroxy groups of quercetin 3,3'-bissulfate; major species at pH 7.3.
Last Modified13 February 2018
DownloadsMolfile
FormulaC15H7O13S2
Net Charge-3
Average Mass459.342
Monoisotopic Mass458.93445
SMILESO=c1c(OS(=O)(=O)[O-])c(-c2ccc(O)c(OS(=O)(=O)[O-])c2)oc2cc([O-])cc(O)c12
InChIInChI=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
InChIKeyCVENNDDRCHLONB-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
quercetin 3,3'-bissulfate trianionChEBI
UniProt Name  Source
quercetin 3,3'-bissulfateUniProt
Manual XrefsDatabases
QUERCETIN-33-BISSULFATEMetaCyc