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CHEBI:189575 - Kaempferol-3-glucuronide

ChEBI IDCHEBI:189575
ChEBI NameKaempferol-3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O12
Net Charge0
Average Mass462.363
Monoisotopic Mass462.07983
SMILESO=C(O)[C@H]1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21?/m0/s1
InChIKeyFNTJVYCFNVUBOL-MBIBTLSJSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS2413)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol-3-glucuronide (CHEBI:189575) is a flavonoids (CHEBI:72544)
Kaempferol-3-glucuronide (CHEBI:189575) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
18699309ChemSpider