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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kaempferol 3-isorhamninoside-7-rhamnoside
ChEBI ID CHEBI:185647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H50O23
Net Charge 0
Average Mass 886.806
Monoisotopic Mass 886.27429
InChI InChI=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
InChIKey MFMPPIGSYYTBKG-OQNHFBIPSA-N
SMILES O([C@@H]1[C@H](O)C(O)[C@@H](OC1C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O[C@@H]5OC([C@H](O)[C@H](O)C5O)C)C4)C6=CC=C(O)C=C6)C(O)C(O)[C@H]2O)[C@@H]7OC([C@H](O)[C@H](O)C7O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24844430 ChemSpider
LMPK12111686 LIPID MAPS
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