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CHEBI:31028 - (−)-epiafzelechin

Default Structure
ChEBI IDCHEBI:31028
ChEBI Name(−)-epiafzelechin
Stars
ASCII Name(-)-epiafzelechin
DefinitionA catechin derivative having (2R,3R)-configuration.
Last Modified15 February 2018
DownloadsMolfile
FormulaC15H14O5
Net Charge0
Average Mass274.272
Monoisotopic Mass274.08412
SMILESOc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1
InChIInChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1
InChIKeyRSYUFYQTACJFML-UKRRQHHQSA-N
Species of MetaboliteComponentSourceComments
Cassia sieberiana (IPNI:485224-1) root (BTO:0001188) PubMed (21070009) Previous component: root bark; 95% ethanolic extract of dried pieces of root bark
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-epiafzelechin (CHEBI:31028) has role plant metabolite (CHEBI:76924)
(−)-epiafzelechin (CHEBI:31028) is a catechin (CHEBI:23053)
Incoming Relation(s)
epiafzelechin 3-gallate (CHEBI:136552) has functional parent (−)-epiafzelechin (CHEBI:31028)
IUPAC Name 
(2R,3R)-2-(4-hydroxyphenyl)chromane-3,5,7-triol
Synonyms  Source
(2R,3R)-epiafzelechinChEBI
epi-AfzelechinKEGG COMPOUND
(-)-EpiafzelechinKEGG COMPOUND
Manual XrefsDatabases
C00008805KNApSAcK
C12128KEGG COMPOUND
CPD-10413MetaCyc
HMDB0030822HMDB
LSM-24974LINCS
Registry NumbersSources
Reaxys:4236089Reaxys
Citations