aspyridone A (CHEBI:64704)

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ChEBI Name	aspyridone A

ChEBI ID	CHEBI:64704

Definition	2-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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H23NO4

Net Charge

Average Mass

329.39020

Monoisotopic Mass

329.16271

InChI

InChI=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

InChIKey

LIBKJCZUBOETPB-RYUDHWBXSA-N

SMILES

CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(c[nH]c1=O)-c1ccc(O)cc1

Roles Classification
Biological Role(s):	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	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

Citation	Type	Source
22228366	PubMed citation	Europe PMC

Last Modified

05 August 2014