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CHEBI:227571 - Aspergone E

ChEBI IDCHEBI:227571
ChEBI NameAspergone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O3
Net Charge0
Average Mass196.246
Monoisotopic Mass196.10994
SMILESC=C/C=C\[C@H]1OC(=O)[C@@H](CCC)[C@@H]1O
InChIInChI=1S/C11H16O3/c1-3-5-7-9-10(12)8(6-4-2)11(13)14-9/h3,5,7-10,12H,1,4,6H2,2H3/b7-5-/t8-,9+,10-/m0/s1
InChIKeyCLZDSPMLLVOAQE-LLFMIUTKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies OUCMDZ-1583 (ncbitaxon:1548012) - DOI (10.1039/c5ra11185d)
ChEBI Ontology
Outgoing Relation(s)
Aspergone E (CHEBI:227571) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,4S,5R)-5-[(1Z)-buta-1,3-dienyl]-4-hydroxy-3-propyloxolan-2-one
Manual XrefsDatabases
40256843ChemSpider