EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185639 - Kukulkanin A

ChEBI IDCHEBI:185639
ChEBI NameKukulkanin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESCOc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2O)cc1
InChIInChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(19)17(22-2)16(13)20/h3-10,19-20H,1-2H3/b9-5+
InChIKeyVSQPLPYTWAWJLY-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kukulkanin A (CHEBI:185639) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Manual XrefsDatabases
LMPK12120153LIPID MAPS
4943615ChemSpider
Registry NumbersSources
CAS:124704-82-1ChemIDplus