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Ontologies
CDNO
Compositional Dietary Nutrition Ontology
(CDNO)
OWL
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Last submission date November 13, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_90
http://purl.obolibrary.org/obo/CHEBI_90
https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_90
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Preferred name
(-)-epicatechin
Synonyms
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(-)-Epicatechin
Definitions
A catechin with (2R,3R)-configuration.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_23053
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rdfs:label
(-)-epicatechin
(-)-epicatechin
skos:notation
CHEBI:90
obo_purl:IAO_0000115
A catechin with (2R,3R)-configuration.
oboinowl_gen:hasExactSynonym
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(-)-Epicatechin
oboinowl_gen:hasDbXref
CAS:490-46-0
KEGG:C09727
KNApSAcK:C00000956
LINCS:LSM-20956
LIPID_MAPS_instance:LMPK12020003
MetaCyc:CPD-7630
PMID:10427682
PMID:7655336
Reaxys:92760
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:90
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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oboinowl_gen:hasAlternativeId
CHEBI:18484
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-/m1/s1
obo_purl:inchikey
PFTAWBLQPZVEMU-UKRRQHHQSA-N
obo_purl:mass
290.26810
obo_purl:monoisotopicmass
290.07904
obo_purl:smiles
[H][C@@]1(Oc2cc(O)cc(O)c2C[C@H]1O)c1ccc(O)c(O)c1
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