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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_70254
http://purl.obolibrary.org/obo/CHEBI_70254
https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_70254
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Preferred name
3'-O-methylepicatechin
Synonyms
(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Symplocosidin
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
3'-O-methylepicatechin
3'-O-methylepicatechin
skos:notation
CHEBI:70254
oboinowl_gen:hasDbXref
HMDB:HMDB0029175
PMID:21080642
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:70254
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
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oboinowl_gen:hasRelatedSynonym
(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Symplocosidin
obo_purl:charge
0
obo_purl:formula
C16H16O6
obo_purl:inchi
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
obo_purl:inchikey
NJHJXXLBWQXMRO-CZUORRHYSA-N
obo_purl:mass
304.29460
obo_purl:monoisotopicmass
304.09469
obo_purl:smiles
COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O
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