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CHEBI:180780 - Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside)

ChEBI IDCHEBI:180780
ChEBI NameKaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H36O17
Net Charge0
Average Mass824.744
Monoisotopic Mass824.19525
SMILESCC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC(=O)/C=C\c2ccc(O)cc2)C(OC(C)=O)C1OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C43H36O17/c1-22(44)54-21-33-39(58-34(51)17-7-24-3-11-27(46)12-4-24)41(55-23(2)45)42(59-35(52)18-8-25-5-13-28(47)14-6-25)43(57-33)60-40-37(53)36-31(50)19-30(49)20-32(36)56-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-
InChIKeyCVBQXRRJAJMJSI-UEBQKXMZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside) (CHEBI:180780) is a flavonoids (CHEBI:72544)
Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside) (CHEBI:180780) is a glycoside (CHEBI:24400)
IUPAC Name 
[4-acetyloxy-2-(acetyloxymethyl)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0029503HMDB