EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228652 - (1E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one

ChEBI IDCHEBI:228652
ChEBI Name(1E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O3
Net Charge0
Average Mass296.366
Monoisotopic Mass296.14124
SMILESO=C(/C=C/c1ccc(O)cc1)CCCCc1ccc(O)cc1
InChIInChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-14,21-22H,1-4H2/b10-7+
InChIKeyIHZRLGRBBLFVBQ-JXMROGBWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
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)
(1E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one (CHEBI:228652) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(E)-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
Manual XrefsDatabases
22913973ChemSpider