CDNO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_70256 http://purl.obolibrary.org/obo/CHEBI_70256 https://agroportal.eu/ontologies/CDNO/CHEBI_70256 Loading
Preferred name	4'-O-methylepigallocatechin-3-O-gallate
Synonyms	[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

type	http://www.w3.org/2002/07/owl#Class Loading
subClassOf	http://purl.obolibrary.org/obo/CHEBI_23053 Loading
label	4'-O-methylepigallocatechin-3-O-gallate
charge	0
generalized_empirical_formula	C23H20O11
inchi_key_string	NPUWDJQZPQKPAA-TZIWHRDSSA-N
inchi_string	InChI=1S/C23H20O11/c1-32-22-16(28)2-9(3-17(22)29)21-19(8-12-13(25)6-11(24)7-18(12)33-21)34-23(31)10-4-14(26)20(30)15(27)5-10/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1
mass	472.402
monoisotopic_mass	472.10056
smiles_string	COc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O
notation	CHEBI:70256
hasDbXref	pubmed:21080642
hasOBONamespace	chebi_ontology
id	CHEBI:70256
inSubset	http://purl.obolibrary.org/obo/chebi/2_STAR Loading
hasRelatedSynonym	[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Subject	Author	Type	Created
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