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CHEBI:64704 - aspyridone A

Default Structure
ChEBI IDCHEBI:64704
ChEBI Nameaspyridone A
Stars
Definition2-Pyridone carrying as substituents a branched dimethylhexanoyl group, a hydroxy group and a p-hydroxyphenyl group at C-3, -4 and -5 respectively. Secondary metabolite produced by Aspergillus spp.
Last Modified5 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H23NO4
Net Charge0
Average Mass329.396
Monoisotopic Mass329.16271
SMILESCC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)cc2)cnc1=O
InChIInChI=1S/C19H23NO4/c1-4-11(2)9-12(3)17(22)16-18(23)15(10-20-19(16)24)13-5-7-14(21)8-6-13/h5-8,10-12,21H,4,9H2,1-3H3,(H2,20,23,24)/t11-,12-/m0/s1
InChIKeyLIBKJCZUBOETPB-RYUDHWBXSA-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)
aspyridone A (CHEBI:64704) has role fungal metabolite (CHEBI:76946)
aspyridone A (CHEBI:64704) is a polyketide (CHEBI:26188)
aspyridone A (CHEBI:64704) is a pyridone (CHEBI:38183)
IUPAC Name 
3-[(2S,4S)-2,4-dimethylhexanoyl]-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one
Citations