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CHEBI:197147 - Kaempferol 3-(6''-ethylglucuronide)

Default Structure
ChEBI IDCHEBI:197147
ChEBI NameKaempferol 3-(6''-ethylglucuronide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILESCCOC(=O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C23H22O12/c1-2-32-22(31)21-17(29)16(28)18(30)23(35-21)34-20-15(27)14-12(26)7-11(25)8-13(14)33-19(20)9-3-5-10(24)6-4-9/h3-8,16-18,21,23-26,28-30H,2H2,1H3/t16?,17-,18?,21-,23+/m0/s1
InChIKeyYRZVQHMIYVCUGI-RAJVGBNGSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(6''-ethylglucuronide) (CHEBI:197147) is a flavonoids (CHEBI:72544)
Kaempferol 3-(6''-ethylglucuronide) (CHEBI:197147) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
ethyl (2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Manual XrefsDatabases
24844587ChemSpider
LMPK12111844LIPID MAPS