CHEBI:229154 - Ligularone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ligularone
ChEBI ID CHEBI:229154
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O2
Net Charge 0
Average Mass 216.280
Monoisotopic Mass 216.11503
InChI InChI=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
InChIKey HFUWQFBDHSXQNU-UHFFFAOYSA-N
SMILES O1C=2CC3C(C(CCC3)=C)C(=O)C2C(=C1)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
4477433 ChemSpider
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