CHEBI:186939 - Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-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-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside
ChEBI ID CHEBI:186939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H36O18
Net Charge 0
Average Mass 696.611
Monoisotopic Mass 696.19016
InChI InChI=1S/C31H36O18/c1-11-19(36)22(39)23(40)28(44-11)45-14-6-15(35)18-16(7-14)46-24(12-2-4-13(34)5-3-12)25(21(18)38)48-29-26(20(37)17(8-32)47-29)49-30-27(41)31(42,9-33)10-43-30/h2-7,11,17,19-20,22-23,26-30,32-37,39-42H,8-10H2,1H3
InChIKey CZZJPZMXCROXOH-UHFFFAOYSA-N
SMILES O(C1C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)C)C3)C5=CC=C(O)C=C5)CO)C6OCC(O)(C6O)CO
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-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside (CHEBI:186939) is a flavonoids (CHEBI:72544)
Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside (CHEBI:186939) is a glycoside (CHEBI:24400)
IUPAC Name
3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Manual Xrefs Databases
24844617 ChemSpider
LMPK12111875 LIPID MAPS
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