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CHEBI:147404 - prunetin-4'-O-β-D-glucuronide(1−)

ChEBI IDCHEBI:147404
ChEBI Nameprunetin-4'-O-β-D-glucuronide(1−)
Stars
ASCII Nameprunetin-4'-O-beta-D-glucuronide(1-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H19O11
Net Charge-1
Average Mass459.383
Monoisotopic Mass459.09329
SMILESCOc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2c1
InChIInChI=1S/C22H20O11/c1-30-11-6-13(23)15-14(7-11)31-8-12(16(15)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
InChIKeyHCIOHNLNMCOETA-SXFAUFNYSA-M
ChEBI Ontology
Outgoing Relation(s)
prunetin-4'-O-β-D-glucuronide(1−) (CHEBI:147404) is a β-D-glucosiduronate (CHEBI:83411)
UniProt Name  Source
prunetin-4'-O-β-D-glucuronideUniProt
Citations