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CHEBI:168223 - Rhamnocitrin 3-(6''-acetylglucoside)

ChEBI IDCHEBI:168223
ChEBI NameRhamnocitrin 3-(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O12
Net Charge0
Average Mass504.444
Monoisotopic Mass504.12678
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3OC(COC(C)=O)[C@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C24H24O12/c1-10(25)33-9-16-18(28)20(30)21(31)24(35-16)36-23-19(29)17-14(27)7-13(32-2)8-15(17)34-22(23)11-3-5-12(26)6-4-11/h3-8,16,18,20-21,24,26-28,30-31H,9H2,1-2H3/t16?,18-,20?,21?,24-/m0/s1
InChIKeyDDGCBCUITQFEFG-GUWAMKFBSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Rhamnocitrin 3-(6''-acetylglucoside) (CHEBI:168223) is a flavonoids (CHEBI:72544)
Rhamnocitrin 3-(6''-acetylglucoside) (CHEBI:168223) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24845241ChemSpider
LMPK12112568LIPID MAPS