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CHEBI:185647 - Kaempferol 3-isorhamninoside-7-rhamnoside

ChEBI IDCHEBI:185647
ChEBI NameKaempferol 3-isorhamninoside-7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O23
Net Charge0
Average Mass886.806
Monoisotopic Mass886.27429
SMILESCC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O[C@@H]6OC(C)[C@H](O)[C@H](O)C6O)[C@H](O)C5O)[C@H](O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C39H50O23/c1-11-21(42)25(46)29(50)37(55-11)58-16-8-17(41)20-18(9-16)59-34(14-4-6-15(40)7-5-14)35(24(20)45)62-39-31(52)27(48)23(44)19(60-39)10-54-36-32(53)28(49)33(13(3)57-36)61-38-30(51)26(47)22(43)12(2)56-38/h4-9,11-13,19,21-23,25-33,36-44,46-53H,10H2,1-3H3/t11?,12?,13?,19?,21-,22-,23-,25-,26-,27?,28+,29?,30?,31?,32?,33-,36+,37-,38-,39-/m0/s1
InChIKeyMFMPPIGSYYTBKG-OQNHFBIPSA-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-isorhamninoside-7-rhamnoside (CHEBI:185647) is a flavonoids (CHEBI:72544)
Kaempferol 3-isorhamninoside-7-rhamnoside (CHEBI:185647) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5R)-6-[[(2R,4R,5R)-3,4-dihydroxy-6-methyl-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12111686LIPID MAPS
24844430ChemSpider