EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175443 - Cohumulone

ChEBI IDCHEBI:175443
ChEBI NameCohumulone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESCC(C)=CCC1=C(O)C(O)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O
InChIInChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
InChIKeyDRSITEVYZGOOQG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cohumulone (CHEBI:175443) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Manual XrefsDatabases
170551ChemSpider
Registry NumbersSources
CAS:142628-20-4ChemIDplus