EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229154 - Ligularone

ChEBI IDCHEBI:229154
ChEBI NameLigularone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O2
Net Charge0
Average Mass216.280
Monoisotopic Mass216.11503
SMILESC=C1CCCC2Cc3occ(C)c3C(=O)C12
InChIInChI=1S/C14H16O2/c1-8-4-3-5-10-6-11-13(9(2)7-16-11)14(15)12(8)10/h7,10,12H,1,3-6H2,2H3
InChIKeyHFUWQFBDHSXQNU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Ligularone (CHEBI:229154) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-methyl-5-methylidene-4a,6,7,8,8a,9-hexahydrobenzo[][1]benzouran-4-one
Manual XrefsDatabases
4477433ChemSpider