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CHEBI:186062 - Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)

ChEBI IDCHEBI:186062
ChEBI NameKaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O19
Net Charge0
Average Mass754.691
Monoisotopic Mass754.23203
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)cc1
InChIInChI=1S/C34H42O19/c1-11-20(37)23(40)26(43)33(48-11)52-29-12(2)49-32(28(45)25(29)42)47-10-18-21(38)24(41)27(44)34(51-18)53-31-22(39)19-16(36)8-14(35)9-17(19)50-30(31)13-4-6-15(46-3)7-5-13/h4-9,11-12,18,20-21,23-29,32-38,40-45H,10H2,1-3H3/t11?,12?,18?,20-,21+,23?,24-,25?,26-,27?,28-,29-,32+,33-,34-/m0/s1
InChIKeyIQEWNPJKSYWEAX-GAPIBLJISA-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 4'-methyl ether 3-(4Rha-rhamnosylrutinoside) (CHEBI:186062) is a flavonoids (CHEBI:72544)
Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside) (CHEBI:186062) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5S)-6-[[(2R,3S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12110558LIPID MAPS
24843596ChemSpider