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CHEBI:189320 - Nocapyrone I

ChEBI IDCHEBI:189320
ChEBI NameNocapyrone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESC/C=C(\C)c1ccc(CCC)c(=O)o1
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(9(3)5-2)14-12(10)13/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyDNKFPTMHUAGHPS-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Nocapyrone I (CHEBI:189320) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(E)-but-2-en-2-yl]-3-propylpyran-2-one
Manual XrefsDatabases
29215675ChemSpider