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CHEBI:86971 - cis-resveratrol 3-O-glucuronide

ChEBI IDCHEBI:86971
ChEBI Namecis-resveratrol 3-O-glucuronide
Stars
ASCII Namecis-resveratrol 3-O-glucuronide
DefinitionA stilbenol that is cis-resveratrol attached to a β-D-glucopyranosiduronic acid residue at position 3 via a glycosidic linkage.
Last Modified17 July 2015
Submitternamrata
DownloadsMolfile
FormulaC20H20O9
Net Charge0
Average Mass404.371
Monoisotopic Mass404.11073
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H20O9/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/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1
InChIKeyQWSAYEBSTMCFKY-BMPGWQKJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - DOI (10.1371/journal.pone.0115359)
Homo sapiens (ncbitaxon:9606) - PubMed (15889903)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
cis-resveratrol 3-O-glucuronide (CHEBI:86971) has functional parent cis-resveratrol (CHEBI:36002)
cis-resveratrol 3-O-glucuronide (CHEBI:86971) has role human metabolite (CHEBI:77746)
cis-resveratrol 3-O-glucuronide (CHEBI:86971) has role mouse metabolite (CHEBI:75771)
cis-resveratrol 3-O-glucuronide (CHEBI:86971) is a stilbenol (CHEBI:36027)
cis-resveratrol 3-O-glucuronide (CHEBI:86971) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl β-D-glucopyranosiduronic acid
Manual XrefsDatabases
HMDB0041711HMDB
Registry NumbersSources
Reaxys:10489410Reaxys
Citations