CHEBI:184462 - 8-Prenylkaempferol 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]

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ChEBI Name 8-Prenylkaempferol 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
ChEBI ID CHEBI:184462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H48O19
Net Charge 0
Average Mass 808.783
Monoisotopic Mass 808.27898
InChI InChI=1S/C38H48O19/c1-15(2)5-10-19-21(50-4)11-20(41)23-26(44)33(30(55-31(19)23)17-6-8-18(40)9-7-17)57-36-29(47)32(56-35-28(46)27(45)24(42)16(3)53-35)25(43)22(54-36)12-51-37-34(48)38(49,13-39)14-52-37/h5-9,11,16,22,24-25,27-29,32,34-37,39-43,45-49H,10,12-14H2,1-4H3
InChIKey LMYDRDQTHNOTTG-UHFFFAOYSA-N
SMILES O(C1C(O)C(OC(OC2=C(OC3=C(C2=O)C(O)=CC(OC)=C3CC=C(C)C)C4=CC=C(O)C=C4)C1O)COC5OCC(O)(C5O)CO)C6OC(C(O)C(O)C6O)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 8-Prenylkaempferol 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside] (CHEBI:184462) is a flavonoids (CHEBI:72544)
8-Prenylkaempferol 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside] (CHEBI:184462) is a glycoside (CHEBI:24400)
IUPAC Name
3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Manual Xrefs Databases
24845234 ChemSpider
LMPK12112561 LIPID MAPS
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