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CHEBI:185846 - 8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside

ChEBI IDCHEBI:185846
ChEBI Name8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O20
Net Charge0
Average Mass838.809
Monoisotopic Mass838.28954
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)cc1
InChIInChI=1S/C39H50O20/c1-14(2)5-10-18-20(55-38-32(50)29(47)25(43)21(12-40)56-38)11-19(41)23-27(45)36(34(58-35(18)23)16-6-8-17(52-4)9-7-16)59-39-33(51)30(48)26(44)22(57-39)13-53-37-31(49)28(46)24(42)15(3)54-37/h5-9,11,15,21-22,24-26,28-33,37-44,46-51H,10,12-13H2,1-4H3/t15?,21?,22?,24-,25-,26+,28?,29-,30-,31-,32?,33?,37+,38+,39-/m0/s1
InChIKeySFPBPCAQVDGNMT-IEAKDGGOSA-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-rhamnosyl-(1->6)-galactoside-7-galactoside (CHEBI:185846) is a flavonoids (CHEBI:72544)
8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside (CHEBI:185846) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844753ChemSpider
LMPK12112026LIPID MAPS