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CHEBI:200405 - Penicillone

ChEBI IDCHEBI:200405
ChEBI NamePenicillone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4S
Net Charge0
Average Mass242.296
Monoisotopic Mass242.06128
SMILESCOc1cc(=O)oc(C(=O)C[C@H](C)S)c1C
InChIInChI=1S/C11H14O4S/c1-6(16)4-8(12)11-7(2)9(14-3)5-10(13)15-11/h5-6,16H,4H2,1-3H3/t6-/m0/s1
InChIKeyZOBPOAOLLNMERS-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17827767)
ChEBI Ontology
Outgoing Relation(s)
Penicillone (CHEBI:200405) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-methoxy-5-methyl-6-(3-sulanylbutanoyl)pyran-2-one
Manual XrefsDatabases
28284448ChemSpider