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CHEBI:64497 - cspyrone B1

ChEBI IDCHEBI:64497
ChEBI Namecspyrone B1
Stars
DefinitionAn oxo monocarboxylic acid that is propionic acid carrying a 3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl group at position 3; it is produced by the fungus Aspergillus oryzae
Last Modified11 May 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H10O6
Net Charge0
Average Mass226.184
Monoisotopic Mass226.04774
SMILESCC(=O)c1c(O)cc(CCC(=O)O)oc1=O
InChIInChI=1S/C10H10O6/c1-5(11)9-7(12)4-6(16-10(9)15)2-3-8(13)14/h4,12H,2-3H2,1H3,(H,13,14)
InChIKeyAHSXBCFJMIOPSN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
cspyrone B1 (CHEBI:64497) has role fungal metabolite (CHEBI:76946)
cspyrone B1 (CHEBI:64497) is a 2-pyranones (CHEBI:75885)
cspyrone B1 (CHEBI:64497) is a aromatic ketone (CHEBI:76224)
cspyrone B1 (CHEBI:64497) is a methyl ketone (CHEBI:51867)
cspyrone B1 (CHEBI:64497) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name 
3-(3-acetyl-4-hydroxy-2-oxo-2H-pyran-6-yl)propanoic acid
Registry NumbersSources
Reaxys:20529735Reaxys
Citations