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CHEBI:228026 - Penicoffeazine A

ChEBI IDCHEBI:228026
ChEBI NamePenicoffeazine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O3
Net Charge0
Average Mass198.262
Monoisotopic Mass198.12559
SMILESC/C=C(\C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C11H18O3/c1-5-6(2)10-7(3)9(12)8(4)11(13)14-10/h5,7-10,12H,1-4H3/b6-5+/t7-,8+,9+,10+/m0/s1
InChIKeyLYBYCXLXPCHGPC-TYTKGTHBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
Penicoffeazine A (CHEBI:228026) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3R,4R,5S,6S)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,5-dimethyloxan-2-one
Manual XrefsDatabases
78434493ChemSpider