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CHEBI:185442 - Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside

ChEBI IDCHEBI:185442
ChEBI NameRhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H44O21
Net Charge0
Average Mass812.727
Monoisotopic Mass812.23751
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](OC(C)=O)[C@H](O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)C4O)[C@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C36H44O21/c1-11-22(41)25(44)27(46)35(51-11)57-33-29(48)34(52-12(2)30(33)53-13(3)37)50-10-20-23(42)26(45)28(47)36(55-20)56-32-24(43)21-18(40)8-15(49-4)9-19(21)54-31(32)14-5-6-16(38)17(39)7-14/h5-9,11-12,20,22-23,25-30,33-36,38-42,44-48H,10H2,1-4H3/t11?,12?,20?,22-,23-,25-,26?,27?,28?,29?,30-,33+,34+,35-,36-/m0/s1
InChIKeySNWSDJIWOIJZFI-SWYPXAKMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside (CHEBI:185442) is a flavonoids (CHEBI:72544)
Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside (CHEBI:185442) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6R)-6-[[(3R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-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
24845275ChemSpider
LMPK12112605LIPID MAPS