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CHEBI:64705 - aspyridone B

Default Structure
ChEBI IDCHEBI:64705
ChEBI Nameaspyridone B
Stars
Definition2-Pyridone carrying as substituents a branched dimethylhexanoyl group, a hydroxy group and a 3,4-dihydroxyphenyl group at C-3, -4 and -5 respectively. Secondary metabolite produced by Aspergillus spp.
Last Modified5 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H23NO5
Net Charge0
Average Mass345.395
Monoisotopic Mass345.15762
SMILESCC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)c(O)c2)cnc1=O
InChIInChI=1S/C19H23NO5/c1-4-10(2)7-11(3)17(23)16-18(24)13(9-20-19(16)25)12-5-6-14(21)15(22)8-12/h5-6,8-11,21-22H,4,7H2,1-3H3,(H2,20,24,25)/t10-,11-/m0/s1
InChIKeySFWFNVOTIWZXMZ-QWRGUYRKSA-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 B (CHEBI:64705) has role fungal metabolite (CHEBI:76946)
aspyridone B (CHEBI:64705) is a polyketide (CHEBI:26188)
aspyridone B (CHEBI:64705) is a pyridone (CHEBI:38183)
IUPAC Name 
5-(3,4-dihydroxyphenyl)-3-[(2S,4S)-2,4-dimethylhexanoyl]-4-hydroxypyridin-2(1H)-one
Citations