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CHEBI:70258 - Epigallocatechin-3-O-ferulate

ChEBI IDCHEBI:70258
ChEBI NameEpigallocatechin-3-O-ferulate
Stars
DefinitionA natural product found in Parapiptadenia rigida.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H22O10
Net Charge0
Average Mass482.441
Monoisotopic Mass482.12130
SMILESCOc1cc(/C=C/C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)ccc1O
InChIInChI=1S/C25H22O10/c1-33-21-6-12(2-4-16(21)27)3-5-23(31)34-22-11-15-17(28)9-14(26)10-20(15)35-25(22)13-7-18(29)24(32)19(30)8-13/h2-10,22,25-30,32H,11H2,1H3/b5-3+/t22-,25-/m1/s1
InChIKeyNZXFMXDJYAHTHS-RKFPQKHCSA-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)
Epigallocatechin-3-O-ferulate (CHEBI:70258) has role metabolite (CHEBI:25212)
Epigallocatechin-3-O-ferulate (CHEBI:70258) is a catechin (CHEBI:23053)
Citations