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CHEBI:184880 - 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside

ChEBI IDCHEBI:184880
ChEBI Name2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILESCC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O
InChIInChI=1S/C26H30O9/c1-14(2)3-9-18-20(34-26-25(33)24(32)23(31)21(13-27)35-26)12-10-17(22(18)30)19(29)11-6-15-4-7-16(28)8-5-15/h3-8,10-12,21,23-28,30-33H,9,13H2,1-2H3/b11-6+/t21?,23-,24+,25?,26-/m1/s1
InChIKeyHNRQFWQDRYQVNP-QTOWGEKLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside (CHEBI:184880) is a flavonoids (CHEBI:72544)
2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside (CHEBI:184880) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-1-[2-hydroxy-3-(3-methylbut-2-enyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
24845869ChemSpider
LMPK12120030LIPID MAPS