EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185685 - 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol

ChEBI IDCHEBI:185685
ChEBI Name3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCOc1cc(O)c(CC=C(C)C)c2c1[C@H](O)[C@H](OC)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C22H26O6/c1-12(2)5-10-15-16(24)11-17(26-3)18-19(25)22(27-4)20(28-21(15)18)13-6-8-14(23)9-7-13/h5-9,11,19-20,22-25H,10H2,1-4H3/t19-,20+,22-/m0/s1
InChIKeyAKUNVGUOSVISDJ-VWPQPMDRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol (CHEBI:185685) is a flavans (CHEBI:38672)
IUPAC Name 
(2R,3S,4S)-2-(4-hydroxyphenyl)-3,5-dimethoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-4,7-diol
Manual XrefsDatabases
24842629ChemSpider
LMPK12020216LIPID MAPS