CHEBI:228123 - Aspergilactone B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Aspergilactone B
ChEBI ID CHEBI:228123
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H16O4
Net Charge 0
Average Mass 212.245
Monoisotopic Mass 212.10486
InChI InChI=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
InChIKey UBKACRCUIDSXLA-YVMCYVBKSA-N
SMILES O=C1O/C(=C/[C@H](O)[C@H](O)C)/C=C1CCC
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing Aspergilactone B (CHEBI:228123) is a butenolide (CHEBI:50523)
IUPAC Name
(5E)-5-[(2S,3R)-2,3-dihydroxybutylidene]-3-propyluran-2-one
Manual Xref Database
74122686 ChemSpider
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