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CHEBI:147407 - prunetin-C8-β-D-glucuronide(2−)

ChEBI IDCHEBI:147407
ChEBI Nameprunetin-C8-β-D-glucuronide(2−)
Stars
ASCII Nameprunetin-C(8)-beta-D-glucuronide(2-)
Last Modified21 April 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H18O11
Net Charge-2
Average Mass458.375
Monoisotopic Mass458.08601
SMILESCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H20O11/c1-31-12-6-11(24)13-15(25)10(8-2-4-9(23)5-3-8)7-32-19(13)14(12)20-17(27)16(26)18(28)21(33-20)22(29)30/h2-7,16-18,20-21,23-24,26-28H,1H3,(H,29,30)/p-2/t16-,17-,18+,20+,21+/m1/s1
InChIKeyRNCFSMSRDUFVRA-SACAXFFCSA-L
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
prunetin-C8-β-D-glucuronide(2−) (CHEBI:147407) is a phenolate (CHEBI:50526)
prunetin-C8-β-D-glucuronide(2−) (CHEBI:147407) is a β-D-glucuronoside(1−) (CHEBI:132367)
UniProt Name  Source
prunetin-C8-β-D-glucuronideUniProt
Citations