EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89099 - urolithin A 3-O-glucuronide

ChEBI IDCHEBI:89099
ChEBI Nameurolithin A 3-O-glucuronide
Stars
ASCII Nameurolithin A 3-O-glucuronide
DefinitionA member of the class of benzochromenones that is urolithin A in which the phenolic hydrogen at position 3 has been replaced by a β-D-glucuronosyl group.
Last Modified11 October 2017
DownloadsMolfile
FormulaC19H16O10
Net Charge0
Average Mass404.327
Monoisotopic Mass404.07435
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1
InChIKeyKXBXNRJGUDTJQS-KSPMYQCISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
urolithin A 3-O-glucuronide (CHEBI:89099) has role human urinary metabolite (CHEBI:84087)
urolithin A 3-O-glucuronide (CHEBI:89099) is a benzochromenone (CHEBI:64986)
urolithin A 3-O-glucuronide (CHEBI:89099) is a monosaccharide derivative (CHEBI:63367)
urolithin A 3-O-glucuronide (CHEBI:89099) is a phenols (CHEBI:33853)
urolithin A 3-O-glucuronide (CHEBI:89099) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
8-hydroxy-6-oxo-6H-dibenzo[b,d]pyran-3-yl β-D-glucopyranosiduronic acid
Synonyms  Source
urolithin A 3-O-β-D-glucuronideChEBI
urolithin A 3-O-β-glucuronideChEBI
Manual XrefsDatabases
HMDB0029222HMDB
Registry NumbersSources
Reaxys:9962893Reaxys
Citations