CDNO | Classes | LIRMM StagePortal

ID	http://purl.obolibrary.org/obo/CHEBI_70254 http://purl.obolibrary.org/obo/CHEBI_70254 https://stageportal.lirmm.fr/ontologies/CDNO/CHEBI_70254 Loading
Preferred name	3'-O-methylepicatechin
Synonyms	(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Symplocosidin

rdf:type	http://www.w3.org/2002/07/owl#Class Loading owl#Class
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_23053 Loading CHEBI_23053
skos:notation	CHEBI:70254
rdfs:label	3'-O-methylepicatechin 3'-O-methylepicatechin
oboinowl_gen:hasDbXref	PMID:21080642 HMDB:HMDB0029175
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
oboinowl_gen:hasRelatedSynonym	(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Symplocosidin
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:70254
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR Loading chebi#2_STAR

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