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CHEBI:186163 - Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside

ChEBI IDCHEBI:186163
ChEBI NameKaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42O20
Net Charge0
Average Mass782.701
Monoisotopic Mass782.22694
SMILESCC(=O)O[C@H]1C(C)O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@H]2O)C(O)[C@H]1O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C35H42O20/c1-11-21(40)24(43)26(45)34(49-11)55-32-28(47)33(50-12(2)29(32)51-13(3)36)48-10-19-22(41)25(44)27(46)35(53-19)54-31-23(42)20-17(39)8-16(38)9-18(20)52-30(31)14-4-6-15(37)7-5-14/h4-9,11-12,19,21-22,24-29,32-35,37-41,43-47H,10H2,1-3H3/t11?,12?,19?,21-,22-,24-,25?,26?,27?,28?,29-,32+,33+,34-,35-/m0/s1
InChIKeyQLIZRNPMFYPDOG-GSRZQRLPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside (CHEBI:186163) is a flavonoids (CHEBI:72544)
Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside (CHEBI:186163) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6R)-6-[[(3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] acetate
Manual XrefsDatabases
24844445ChemSpider
LMPK12111701LIPID MAPS