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CHEBI:209297 - Pyrenocine E

ChEBI IDCHEBI:209297
ChEBI NamePyrenocine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOc1cc(=O)oc(C)c1C(=O)C[C@H](C)OC
InChIInChI=1S/C12H16O5/c1-7(15-3)5-9(13)12-8(2)17-11(14)6-10(12)16-4/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyVYMFDNISAJNCNA-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Penicillium waksmanii (ncbitaxon:69791) - PubMed (9630866)
ChEBI Ontology
Outgoing Relation(s)
Pyrenocine E (CHEBI:209297) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-methoxy-5-(3-methoxybutanoyl)-6-methylpyran-2-one
Manual XrefsDatabases
8552426ChemSpider