EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174449 - 3,4-Dihydroxyphenacyl caffeate

ChEBI IDCHEBI:174449
ChEBI Name3,4-Dihydroxyphenacyl caffeate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C17H14O7/c18-12-4-1-10(7-14(12)20)2-6-17(23)24-9-16(22)11-3-5-13(19)15(21)8-11/h1-8,18-21H,9H2/b6-2+
InChIKeyDPMVCMFEBYVTFB-QHHAFSJGSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-Dihydroxyphenacyl caffeate (CHEBI:174449) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-2-oxoethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
17226431ChemSpider
HMDB0031706HMDB
Registry NumbersSources
CAS:162616-81-1ChemIDplus