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CHEBI:69656 - Caffeic acid ethyl ester

ChEBI IDCHEBI:69656
ChEBI NameCaffeic acid ethyl ester
Stars
DefinitionA natural product found in Solanum campaniforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCCOC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
InChIKeyWDKYDMULARNCIS-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Solanum campaniforme (IPNI:818569-1) leaf (BTO:0000713) PubMed (21962208) Dried leaves were extracted with ethyl alcohol.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
Caffeic acid ethyl ester (CHEBI:69656) has role metabolite (CHEBI:25212)
Caffeic acid ethyl ester (CHEBI:69656) is a hydroxycinnamic acid (CHEBI:24689)
Synonyms  Source
3,4-Dihydroxycinnamic acid ethyl esterChEBI
Ethyl caffeateChEBI
Manual XrefsDatabases
0000102374ChemIDplus
Citations