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CHEBI:169288 - 2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam

ChEBI IDCHEBI:169288
ChEBI Name2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29NO3
Net Charge0
Average Mass331.456
Monoisotopic Mass331.21474
SMILESCC1=CN(C2OC(=O)C3C(C)CCC3C2C)C(=O)C2C(C)CCC12
InChIInChI=1S/C20H29NO3/c1-10-5-7-14-12(3)9-21(18(22)16(10)14)19-13(4)15-8-6-11(2)17(15)20(23)24-19/h9-11,13-17,19H,5-8H2,1-4H3
InChIKeyQTRZXLVUEGDULY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam (CHEBI:169288) is a terpene lactone (CHEBI:37668)
IUPAC Name 
2-(4,7-dimethyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-3-yl)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridin-1-one
Manual XrefsDatabases
24534871ChemSpider
HMDB0038596HMDB