Get a permanent link to this class
Ontologies
CDNO
Last submission date
November 13, 2024
| ID | http://purl.obolibrary.org/obo/CHEBI_76125
http://purl.obolibrary.org/obo/CHEBI_76125
https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_76125
Loading |
|---|---|
| Preferred name | (+)-epicatechin |
| Synonyms |
(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol
(2S,3S)-3,3',4',5,7-pentahydroxyflavan
ent-Epicatechin
|
| Definitions |
A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).
|
Raw data
| rdf:type | |
|---|---|
| rdfs:subClassOf | |
| rdfs:label | (+)-epicatechin
(+)-epicatechin
|
| skos:notation | CHEBI:76125
|
| obo_purl:IAO_0000115 | A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).
|
| oboinowl_gen:hasExactSynonym | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
| oboinowl_gen:hasDbXref | CAS:35323-91-2
KEGG:C09728
KNApSAcK:C00000957
PMID:15568761
Reaxys:3655328
|
| oboinowl_gen:hasOBONamespace | chebi_ontology
|
| oboinowl_gen:id | CHEBI:76125
|
| oboinowl_gen:inSubset | |
| oboinowl_gen:hasRelatedSynonym | (2S,3S)-3',4',5,7-tetrahydroxyflavan-3-ol
(2S,3S)-3,3',4',5,7-pentahydroxyflavan
ent-Epicatechin
|
| obo_purl:charge | 0
|
| obo_purl:formula | C15H14O6
|
| obo_purl: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
|
| obo_purl:inchikey | PFTAWBLQPZVEMU-ZFWWWQNUSA-N
|
| obo_purl:mass | 290.26810
|
| obo_purl:monoisotopicmass | 290.07904
|
| obo_purl:smiles | O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1
|