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CHEBI:184532 - 8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]

ChEBI IDCHEBI:184532
ChEBI Name8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H46O18
Net Charge0
Average Mass802.779
Monoisotopic Mass802.26841
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](OC(C)=O)C(O[C@@H]3OC(COC(C)=O)[C@@H](OC(C)=O)[C@H](O)C3O)[C@@H]2O)cc1
InChIInChI=1S/C39H46O18/c1-16(2)8-13-23-24(43)14-25(44)27-28(45)36(33(55-34(23)27)21-9-11-22(49-7)12-10-21)56-39-31(48)37(32(17(3)51-39)52-19(5)41)57-38-30(47)29(46)35(53-20(6)42)26(54-38)15-50-18(4)40/h8-12,14,17,26,29-32,35,37-39,43-44,46-48H,13,15H2,1-7H3/t17?,26?,29-,30?,31+,32+,35-,37?,38+,39+/m1/s1
InChIKeyXZYBHCOHVDXMCQ-URJZLEMJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside] (CHEBI:184532) is a flavonoids (CHEBI:72544)
8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside] (CHEBI:184532) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6S)-3-acetyloxy-6-[(2S,3S,5S)-5-acetyloxy-2-[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-3-yl]oxy-3-hydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
LMPK12112027LIPID MAPS
24844754ChemSpider