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CHEBI:216563 - Aspertamarinolide A

ChEBI IDCHEBI:216563
ChEBI NameAspertamarinolide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCCC[C@@H](O)[C@H]1OC(=O)C(C)=C1C(=O)OC
InChIInChI=1S/C12H18O5/c1-4-5-6-8(13)10-9(12(15)16-3)7(2)11(14)17-10/h8,10,13H,4-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyIUINRWFWFHKQFR-PSASIEDQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2020.152529)
ChEBI Ontology
Outgoing Relation(s)
Aspertamarinolide A (CHEBI:216563) is a butenolide (CHEBI:50523)
IUPAC Name 
methyl (2S)-2-[(1R)-1-hydroxypentyl]-4-methyl-5-oxo-2H-uran-3-carboxylate
Manual XrefsDatabases
101936386ChemSpider