CHEBI:227976 - Pestalolide C

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ChEBI Name Pestalolide C
ChEBI ID CHEBI:227976
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H22O3
Net Charge 0
Average Mass 226.316
Monoisotopic Mass 226.15689
InChI InChI=1S/C13H22O3/c1-3-4-5-6-7-8-11-9-16-13(14)12(11)10-15-2/h3-10H2,1-2H3
InChIKey ISROZPZALHTREC-UHFFFAOYSA-N
SMILES O=C1OCC(=C1COC)CCCCCCC
Metabolite of Species Details
Pestalotiopsisspecies (NCBI:txid36460) See: DOI
ChEBI Ontology
Outgoing Pestalolide C (CHEBI:227976) is a butenolide (CHEBI:50523)
IUPAC Name
3-heptyl-4-(methoxymethyl)-2H-uran-5-one