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CHEBI:8393 - Prenyl caffeate

ChEBI IDCHEBI:8393
ChEBI NamePrenyl caffeate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCC(C)=CCOC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
InChIKeyTTYOHMFLCXENHR-GQCTYLIASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Prenyl caffeate (CHEBI:8393) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
Prenyl caffeateKEGG COMPOUND
Manual XrefsDatabases
C10487KEGG COMPOUND
C00002768KNApSAcK
HMDB0041140HMDB
Registry NumbersSources
CAS:118971-61-2KEGG COMPOUND