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

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ChEBI Name Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside)
ChEBI ID CHEBI:180780
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H36O17
Net Charge 0
Average Mass 824.744
Monoisotopic Mass 824.19525
InChI InChI=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-
InChIKey CVBQXRRJAJMJSI-UEBQKXMZSA-N
SMILES O1C(C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)C)C(OC(=O)/C=C\C3=CC=C(O)C=C3)C1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC=C(O)C=C6)COC(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0029503 HMDB
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