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CHEBI:33992 - (−)-catechin

ChEBI IDCHEBI:33992
ChEBI Name(−)-catechin
Stars
ASCII Name(-)-catechin
DefinitionThe (−)-enantiomer of catechin.
Last Modified27 January 2017
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2
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-HIFRSBDPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(−)-catechin (CHEBI:33992) has role metabolite (CHEBI:25212)
(−)-catechin (CHEBI:33992) is a catechin (CHEBI:23053)
(−)-catechin (CHEBI:33992) is enantiomer of (+)-catechin (CHEBI:15600)
Incoming Relation(s)
(−)-catechin-3-O-gallate (CHEBI:76131) has functional parent (−)-catechin (CHEBI:33992)
catechin 5-glucuronide (CHEBI:149588) has functional parent (−)-catechin (CHEBI:33992)
rac-catechin (CHEBI:132833) has part (−)-catechin (CHEBI:33992)
(+)-catechin (CHEBI:15600) is enantiomer of (−)-catechin (CHEBI:33992)
IUPAC Name 
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Synonyms  Source
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-benzopyran-3,5,7-triolChemIDplus
(-)-CatechinKEGG COMPOUND
catechin L-formChemIDplus
Manual XrefsDatabases
C00008808KNApSAcK
C14079KEGG COMPOUND
Registry NumbersSources
CAS:18829-70-4KEGG COMPOUND
CAS:18829-70-4ChemIDplus