CHEBI:58353 - quercetin-7-olate 3,4'-bissulfate(3−)

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ChEBI Name quercetin-7-olate 3,4'-bissulfate(3−)
ChEBI ID CHEBI:58353
ChEBI ASCII Name quercetin-7-olate 3,4'-bissulfate(3-)
Definition A flavonoid oxoanion arising from deprotonation of the sulfate and 7-hydroxy groups of quercetin 3,4'-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)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)/p-3
InChIKey MUUFJLJGMRBUTO-UHFFFAOYSA-K
SMILES Oc1cc(ccc1OS([O-])(=O)=O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O
ChEBI Ontology
Outgoing quercetin-7-olate 3,4'-bissulfate(3−) (CHEBI:58353) is a aryl sulfate oxoanion (CHEBI:139371)
quercetin-7-olate 3,4'-bissulfate(3−) (CHEBI:58353) is a flavonoid oxoanion (CHEBI:60038)
quercetin-7-olate 3,4'-bissulfate(3−) (CHEBI:58353) is conjugate base of quercetin 3,4'-bissulfate (CHEBI:18030)
Incoming quercetin 3,4'-bissulfate (CHEBI:18030) is conjugate acid of quercetin-7-olate 3,4'-bissulfate(3−) (CHEBI:58353)
IUPAC Name
2-hydroxy-4-[5-hydroxy-7-oxido-4-oxo-3-(sulfonatooxy)-4H-chromen-2-yl]phenyl sulfate
Synonyms Sources
quercetin 3,4'-bissulfate UniProt
quercetin 3,4'-bissulfate trianion ChEBI
quercetin-7-olate 3,4'-bissulfate ChEBI
Last Modified
13 February 2018