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CHEBI:187862 - Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]

ChEBI IDCHEBI:187862
ChEBI NameKaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H48O23
Net Charge0
Average Mass872.779
Monoisotopic Mass872.25864
SMILESCC1O[C@@H](OC2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(CO[C@@H]3OC(C)[C@H](O)C(O[C@@H]4OC[C@@H](O)[C@H](O)C4O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C38H48O23/c1-11-21(43)26(48)29(51)37(56-11)61-34-27(49)24(46)19(10-54-36-30(52)32(22(44)12(2)55-36)59-35-28(50)23(45)17(42)9-53-35)58-38(34)60-33-25(47)20-16(41)7-15(40)8-18(20)57-31(33)13-3-5-14(39)6-4-13/h3-8,11-12,17,19,21-24,26-30,32,34-46,48-52H,9-10H2,1-2H3/t11?,12?,17-,19?,21+,22+,23+,24+,26?,27+,28?,29+,30+,32?,34?,35+,36-,37+,38+/m1/s1
InChIKeyBMLXJHRQBRRIJE-QIXDXBNHSA-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->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside] (CHEBI:187862) is a flavonoids (CHEBI:72544)
Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside] (CHEBI:187862) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5R)-6-[[(2R,3S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12111932LIPID MAPS
24844674ChemSpider