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CHEBI:173593 - Jasmine ketolactone

ChEBI IDCHEBI:173593
ChEBI NameJasmine ketolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESO=C1CC2CCC(=O)C2C/C=C\CCO1
InChIInChI=1S/C12H16O3/c13-11-6-5-9-8-12(14)15-7-3-1-2-4-10(9)11/h1-2,9-10H,3-8H2/b2-1-
InChIKeyDINQMNROFIPFOH-UPHRSURJSA-N
ChEBI Ontology
Outgoing Relation(s)
Jasmine ketolactone (CHEBI:173593) is a oxacycle (CHEBI:38104)
IUPAC Name 
(6Z)-1,4,5,8,8a,10,11,11a-octahydrocyclopenta[d]oxecine-2,9-dione
Manual XrefsDatabases
19240450ChemSpider
HMDB0030150HMDB