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CHEBI:90 - (−)-epicatechin

ChEBI IDCHEBI:90
ChEBI Name(−)-epicatechin
Stars
ASCII Name(-)-epicatechin
DefinitionA catechin with (2R,3R)-configuration.
Secondary ChEBI IDCHEBI:18484
Last Modified22 September 2021
DownloadsMolfile

FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILES[H][C@]1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C[C@H]1O
InChIInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChIKeyPFTAWBLQPZVEMU-UKRRQHHQSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Synonym  Source
(-)-EpicatechinKEGG COMPOUND
UniProt Name  Source
(−)-epicatechinUniProt
Manual XrefsDatabases
C09727KEGG COMPOUND
LMPK12020003LIPID MAPS
CPD-7630MetaCyc
C00000956KNApSAcK
LSM-20956LINCS
Registry NumbersSources
Reaxys:92760Reaxys
CAS:490-46-0KEGG COMPOUND
Citations