EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229811 - epiafzelechin 3-o-beta-d-allopyranoside

ChEBI IDCHEBI:229811
ChEBI Nameepiafzelechin 3-o-beta-d-allopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O10
Net Charge0
Average Mass436.413
Monoisotopic Mass436.13695
SMILESOC[C@H]1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-6,15-28H,7-8H2/t15-,16-,17-,18?,19?,20-,21-/m1/s1
InChIKeyXWMNERHJDTUVJN-MRAFHSIWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
epiafzelechin 3-o-beta-d-allopyranoside (CHEBI:229811) is a flavonoids (CHEBI:72544)
epiafzelechin 3-o-beta-d-allopyranoside (CHEBI:229811) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,5S,6R)-2-[[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842508ChemSpider
LMPK12020026LIPID MAPS