loading...| Preferred Name | (+)-epicatechin | |
| Synonyms |
(2S,3S)-3,3',4',5,7-pentahydroxyflavan (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol ent-Epicatechin (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
|
| Definitions |
A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76125 |
|
| alternative term |
(2S,3S)-3,3',4',5,7-pentahydroxyflavan (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol ent-Epicatechin (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
KEGG:C09728 KNApSAcK:C00000957 Reaxys:3655328 PMID:15568761 CAS:35323-91-2 |
|
| definition |
A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). |
|
| formula |
C15H14O6 |
|
| has_exact_synonym |
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(2S,3S)-3,3',4',5,7-pentahydroxyflavan (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol ent-Epicatechin |
|
| id |
CHEBI:76125 |
|
| in_subset | ||
| inchi |
InChI=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-/m0/s1 |
|
| inchikey |
PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
|
| is_enantiomer_of | ||
| label |
(+)-epicatechin |
|
| mass |
290.26810 |
|
| monoisotopicmass |
290.07904 |
|
| notation |
CHEBI:76125 |
|
| prefLabel |
(+)-epicatechin |
|
| RO_0000087 | ||
| smiles |
O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 |
|
| subClassOf |