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CHEBI:84039 - dihydroresveratrol-3-O-β-D-glucuronide

ChEBI IDCHEBI:84039
ChEBI Namedihydroresveratrol-3-O-β-D-glucuronide
Stars
ASCII Namedihydroresveratrol-3-O-beta-D-glucuronide
DefinitionA monosaccharide derivative that is the 7-O-glucuronide of dihydroresveratrol .
Last Modified9 December 2014
Submitternamrata
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)cc(CCc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H22O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-9,15-18,20-25H,1-2H2,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1
InChIKeyNXXGJRZWYCYPCB-HBWRTXEVSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
dihydroresveratrol-3-O-β-D-glucuronide (CHEBI:84039) is a dihydroresveratrol glucuronide (CHEBI:84047)
dihydroresveratrol-3-O-β-D-glucuronide (CHEBI:84039) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl β-D-glucopyranosiduronic acid
Citations