EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185016 - 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone

ChEBI IDCHEBI:185016
ChEBI Name5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O6
Net Charge0
Average Mass440.536
Monoisotopic Mass440.21989
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1CCC(C)(C)O
InChIInChI=1S/C26H32O6/c1-15(2)6-8-18-19(27)13-20(28)24-21(29)14-23(32-25(18)24)16-7-9-22(31-5)17(12-16)10-11-26(3,4)30/h6-7,9,12-13,23,27-28,30H,8,10-11,14H2,1-5H3
InChIKeyWPWHKJJCZFDYPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone (CHEBI:185016) is a flavanones (CHEBI:28863)
IUPAC Name 
5,7-dihydroxy-2-[3-(3-hydroxy-3-methylbutyl)-4-methoxyphenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846429ChemSpider
LMPK12140347LIPID MAPS