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CHEBI:70256 - 4'-O-methylepigallocatechin-3-O-gallate

ChEBI IDCHEBI:70256
ChEBI Name4'-O-methylepigallocatechin-3-O-gallate
Stars
DefinitionA natural product found in Parapiptadenia rigida.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H20O11
Net Charge0
Average Mass472.402
Monoisotopic Mass472.10056
SMILESCOc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O
InChIInChI=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
InChIKeyNPUWDJQZPQKPAA-TZIWHRDSSA-N
Species of MetaboliteComponentSourceComments
Parapiptadenia rigida (ncbitaxon:148713) bark (BTO:0001301) PubMed (21080642) Ethanolic extract of air-dried, powdered bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4'-O-methylepigallocatechin-3-O-gallate (CHEBI:70256) has role metabolite (CHEBI:25212)
4'-O-methylepigallocatechin-3-O-gallate (CHEBI:70256) is a catechin (CHEBI:23053)
Synonym  Source
[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateChEBI
Citations