CDNO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_70254 http://purl.obolibrary.org/obo/CHEBI_70254 https://agroportal.eu/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

type	http://www.w3.org/2002/07/owl#Class Loading
subClassOf	http://purl.obolibrary.org/obo/CHEBI_23053 Loading
label	3'-O-methylepicatechin
charge	0
generalized_empirical_formula	C16H16O6
inchi_key_string	NJHJXXLBWQXMRO-CZUORRHYSA-N
inchi_string	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
mass	304.298
monoisotopic_mass	304.09469
smiles_string	COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)ccc1O
notation	CHEBI:70254
hasDbXref	pubmed:21080642 hmdb:HMDB0029175
hasOBONamespace	chebi_ontology
id	CHEBI:70254
inSubset	http://purl.obolibrary.org/obo/chebi/2_STAR Loading
hasRelatedSynonym	(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Symplocosidin

Subject	Author	Type	Created
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