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CHEBI:70259 - 4'-O-methylepigallocatechin-3-O-ferulate

ChEBI IDCHEBI:70259
ChEBI Name4'-O-methylepigallocatechin-3-O-ferulate
Stars
DefinitionA natural product found in Parapiptadenia rigida.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H24O10
Net Charge0
Average Mass496.468
Monoisotopic Mass496.13695
SMILESCOc1cc(/C=C/C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(OC)c(O)c2)ccc1O
InChIInChI=1S/C26H24O10/c1-33-22-7-13(3-5-17(22)28)4-6-24(32)35-23-12-16-18(29)10-15(27)11-21(16)36-25(23)14-8-19(30)26(34-2)20(31)9-14/h3-11,23,25,27-31H,12H2,1-2H3/b6-4+/t23-,25-/m1/s1
InChIKeyXDTJJIJEOFWRLC-JLRMUMSLSA-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-ferulate (CHEBI:70259) has role metabolite (CHEBI:25212)
4'-O-methylepigallocatechin-3-O-ferulate (CHEBI:70259) is a catechin (CHEBI:23053)
Citations