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CHEBI:200244 - Csypyrone B3

ChEBI IDCHEBI:200244
ChEBI NameCsypyrone B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCC(=O)c1c(O)cc(CCCCC(=O)O)oc1=O
InChIInChI=1S/C12H14O6/c1-7(13)11-9(14)6-8(18-12(11)17)4-2-3-5-10(15)16/h6,14H,2-5H2,1H3,(H,15,16)
InChIKeyALPIZIJBAXVJRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (23290452)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Csypyrone B3 (CHEBI:200244) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-(5-acetyl-4-hydroxy-6-oxopyran-2-yl)pentanoic acid
Manual XrefsDatabases
78434654ChemSpider