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CHEBI:197198 - Rhamnocitrin 3-glucuronide

ChEBI IDCHEBI:197198
ChEBI NameRhamnocitrin 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O12
Net Charge0
Average Mass476.390
Monoisotopic Mass476.09548
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C22H20O12/c1-31-10-6-11(24)13-12(7-10)32-18(8-2-4-9(23)5-3-8)19(14(13)25)33-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-24,26-28H,1H3,(H,29,30)/t15?,16-,17?,20-,22+/m0/s1
InChIKeyQZBZMHBKELXHBZ-MVFXGHPOSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Rhamnocitrin 3-glucuronide (CHEBI:197198) is a flavonoids (CHEBI:72544)
Rhamnocitrin 3-glucuronide (CHEBI:197198) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
24845248ChemSpider
LMPK12112575LIPID MAPS