EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183478 - (4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one

ChEBI IDCHEBI:183478
ChEBI Name(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILESO=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
InChIInChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+
InChIKeyVWHYFMQKJYFLCC-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one (CHEBI:183478) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
Manual XrefsDatabases
553011ChemSpider
Registry NumbersSources
CAS:41137-87-5ChemIDplus