EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:48967 - trans-2',3,4,4',6'-pentahydroxychalcone

ChEBI IDCHEBI:48967
ChEBI Nametrans-2',3,4,4',6'-pentahydroxychalcone
Stars
ASCII Nametrans-2',3,4,4',6'-pentahydroxychalcone
DefinitionA 2',3,4,4',6'-pentahydroxychalcone with a trans configuration.
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+
InChIKeyCRBYNQCDRNZCNX-DUXPYHPUSA-N
ChEBI Ontology
Outgoing Relation(s)
trans-2',3,4,4',6'-pentahydroxychalcone (CHEBI:48967) has functional parent trans-chalcone (CHEBI:48965)
trans-2',3,4,4',6'-pentahydroxychalcone (CHEBI:48967) is a 2',3,4,4',6'-pentahydroxychalcone (CHEBI:10836)
trans-2',3,4,4',6'-pentahydroxychalcone (CHEBI:48967) is a polyphenol (CHEBI:26195)
IUPAC Name 
(2E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Synonym  Source
2',3,4,4',6'-PentahydroxychalconeKEGG COMPOUND
Manual XrefsDatabases
LMPK12120271LIPID MAPS
C15525KEGG COMPOUND
C00006973KNApSAcK
Registry NumbersSources
Beilstein:3402248Beilstein
Reaxys:2153776Reaxys