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CHEBI:70257 - 4'-O-methylepicatechin-3-O-gallate

ChEBI IDCHEBI:70257
ChEBI Name4'-O-methylepicatechin-3-O-gallate
Stars
DefinitionA natural product found in Parapiptadenia rigida.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H20O10
Net Charge0
Average Mass456.403
Monoisotopic Mass456.10565
SMILESCOc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O
InChIInChI=1S/C23H20O10/c1-31-18-3-2-10(4-15(18)26)22-20(9-13-14(25)7-12(24)8-19(13)32-22)33-23(30)11-5-16(27)21(29)17(28)6-11/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
InChIKeyCEXLPAFKWSVHSK-IFMALSPDSA-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-methylepicatechin-3-O-gallate (CHEBI:70257) has role metabolite (CHEBI:25212)
4'-O-methylepicatechin-3-O-gallate (CHEBI:70257) is a catechin (CHEBI:23053)
Citations