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CHEBI:75726 - luteolin 3'-O-glucuronide

ChEBI IDCHEBI:75726
ChEBI Nameluteolin 3'-O-glucuronide
Stars
ASCII Nameluteolin 3'-O-glucuronide
DefinitionA luteolin glucosiduronic acid consisting of luteolin having a β-D-glucosiduronic acid residue attached at the 3'-position.
Last Modified25 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H18O12
Net Charge0
Average Mass462.363
Monoisotopic Mass462.07983
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChIKeyJDOFZOKGCYYUER-ZFORQUDYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
luteolin 3'-O-glucuronide (CHEBI:75726) has role metabolite (CHEBI:25212)
luteolin 3'-O-glucuronide (CHEBI:75726) is a luteolin O-glucuronoside (CHEBI:25091)
luteolin 3'-O-glucuronide (CHEBI:75726) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl β-D-glucopyranosiduronic acid
Synonyms  Source
Luteolin 3'-glucuronideLIPID MAPS
luteolin 3'-O-β-D-glucopyranosiduronic acidChEBI
luteolin 3'-O-β-D-glucoronopyranosideChEBI
Manual XrefsDatabases
LMPK12110650LIPID MAPS
Registry NumbersSources
Reaxys:7060350Reaxys