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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name prunetin-C8-β-D-glucuronide(2−)
ChEBI ASCII Name prunetin-C(8)-beta-D-glucuronide(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C22H18O11
Net Charge -2
Average Mass 458.376
Monoisotopic Mass 458.08601
InChI InChI=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
SMILES C12=C(C(C(C3=CC=C(O)C=C3)=CO1)=O)C(=CC(=C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C([O-])=O)O)O)O)OC)[O-]
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via phenolate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prunetin-C8-β-D-glucuronide(2−) (CHEBI:147407) is a β-D-glucuronoside(1−) (CHEBI:132367)
prunetin-C8-β-D-glucuronide(2−) (CHEBI:147407) is a phenolate (CHEBI:50526)
Synonym Source
prunetin-C8-β-D-glucuronide UniProt
Citation Waiting for Citations Type Source
18052087 PubMed citation SUBMITTER
Last Modified
21 April 2020