CHEBI:228026 - Penicoffeazine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penicoffeazine A
ChEBI ID CHEBI:228026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18O3
Net Charge 0
Average Mass 198.262
Monoisotopic Mass 198.12559
InChI InChI=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
InChIKey LYBYCXLXPCHGPC-TYTKGTHBSA-N
SMILES O=C1O[C@H](/C(=C/C)/C)[C@@H](C)[C@H]([C@H]1C)O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78434493 ChemSpider
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