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CHEBI:228123 - Aspergilactone B

ChEBI IDCHEBI:228123
ChEBI NameAspergilactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILESCCCC1=C/C(=C\[C@H](O)[C@@H](C)O)OC1=O
InChIInChI=1S/C11H16O4/c1-3-4-8-5-9(15-11(8)14)6-10(13)7(2)12/h5-7,10,12-13H,3-4H2,1-2H3/b9-6+/t7-,10+/m1/s1
InChIKeyUBKACRCUIDSXLA-YVMCYVBKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (31078410)
ChEBI Ontology
Outgoing Relation(s)
Aspergilactone B (CHEBI:228123) is a butenolide (CHEBI:50523)
IUPAC Name 
(5E)-5-[(2S,3R)-2,3-dihydroxybutylidene]-3-propyluran-2-one
Manual XrefsDatabases
74122686ChemSpider