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CHEBI:227976 - Pestalolide C

ChEBI IDCHEBI:227976
ChEBI NamePestalolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O3
Net Charge0
Average Mass226.316
Monoisotopic Mass226.15689
SMILESCCCCCCCC1=C(COC)C(=O)OC1
InChIInChI=1S/C13H22O3/c1-3-4-5-6-7-8-11-9-16-13(14)12(11)10-15-2/h3-10H2,1-2H3
InChIKeyISROZPZALHTREC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2018.11.021)
ChEBI Ontology
Outgoing Relation(s)
Pestalolide C (CHEBI:227976) is a butenolide (CHEBI:50523)
IUPAC Name 
3-heptyl-4-(methoxymethyl)-2H-uran-5-one