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CHEBI:747564 - glycitein 4'-O-glucuronide(1−)

Default Structure
ChEBI IDCHEBI:747564
ChEBI Nameglycitein 4'-O-glucuronide(1−)
Stars
ASCII Nameglycitein 4'-O-glucuronide(1-)
DefinitionA β-D-glucosiduronate that is the conjugate base of glycitein 4'-O-glucuronide resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified13 April 2026
SubmitterAdnan
DownloadsMolfile
FormulaC22H19O11
Net Charge-1
Average Mass459.383
Monoisotopic Mass459.09329
SMILESCOc1cc2c(=O)c(-c3ccc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2cc1O
InChIInChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/p-1/t17-,18-,19+,20-,22+/m0/s1
InChIKeyFXGSRMKCZRQRER-SXFAUFNYSA-M
ChEBI Ontology
Outgoing Relation(s)
glycitein 4'-O-glucuronide(1−) (CHEBI:747564) is a monocarboxylic acid anion (CHEBI:35757)
glycitein 4'-O-glucuronide(1−) (CHEBI:747564) is a β-D-glucosiduronate (CHEBI:83411)
glycitein 4'-O-glucuronide(1−) (CHEBI:747564) is conjugate base of glycitein 4'-O-glucuronide (CHEBI:133667)
Incoming Relation(s)
glycitein 4'-O-glucuronide (CHEBI:133667) is conjugate acid of glycitein 4'-O-glucuronide(1−) (CHEBI:747564)
IUPAC Name 
4-(7-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl)phenyl β-D-glucopyranosiduronate
Synonyms  Source
4-(7-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-3-yl)phenyl β-D-glucopyranosiduronateIUPAC
glycitein 4'-O-glucuronide anionChEBI