CDNO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_70256 http://purl.obolibrary.org/obo/CHEBI_70256 https://agroportal.lirmm.fr/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

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
obo_purl:charge	0
obo_purl:inchikey	NPUWDJQZPQKPAA-TZIWHRDSSA-N
oboinowl_gen:hasDbXref	PMID:21080642
skos:notation	CHEBI:70256
obo_purl:mass	472.39830
obo_purl:inchi	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
obo_purl:formula	C23H20O11
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
oboinowl_gen:id	CHEBI:70256
rdfs:label	4'-O-methylepigallocatechin-3-O-gallate 4'-O-methylepigallocatechin-3-O-gallate
obo_purl:monoisotopicmass	472.10056
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_23053

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