EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114209 - acetic acid [5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester

ChEBI IDCHEBI:114209
ChEBI Nameacetic acid [5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester
Stars
DownloadsMolfile
FormulaC21H23ClO5
Net Charge0
Average Mass390.863
Monoisotopic Mass390.12340
SMILESCCC(C)C=C(C)C=CC1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CO1
InChIInChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3
InChIKeySWJLTKXURNHVHE-UHFFFAOYSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
acetic acid [5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester (CHEBI:114209) is a azaphilone (CHEBI:50941)
Manual XrefsDatabases
LSM-25670LINCS