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CHEBI:202152 - Pestalolide

ChEBI IDCHEBI:202152
ChEBI NamePestalolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESCCCCCCCC1=C(C)C(=O)OC1
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-11-9-14-12(13)10(11)2/h3-9H2,1-2H3
InChIKeyUDWRSXHCHSNSFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestalolide (CHEBI:202152) is a butenolide (CHEBI:50523)
IUPAC Name 
3-heptyl-4-methyl-2H-uran-5-one
Manual XrefsDatabases
29214649ChemSpider