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CHEBI:185607 - Kaempferol 3-rhamninoside

ChEBI IDCHEBI:185607
ChEBI NameKaempferol 3-rhamninoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O19
Net Charge0
Average Mass740.664
Monoisotopic Mass740.21638
SMILESCC1O[C@@H](O[C@@H]2C(O)[C@H](OCC3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)[C@H]3O)OC(C)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3/t10?,11?,17?,19-,20-,21-,23-,24?,25?,26?,27?,29-,31+,32-,33-/m0/s1
InChIKeyUYVBMGULWGRDQT-YWYWOGRWSA-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-rhamninoside (CHEBI:185607) is a flavonoids (CHEBI:72544)
Kaempferol 3-rhamninoside (CHEBI:185607) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5R)-6-[[(2R,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,4S,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-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
24844420ChemSpider
LMPK12111675LIPID MAPS