RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136681
RefMet namepsi-Pelletierine
Systematic name9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SynonymsPubChem Synonyms
Exact mass153.115364 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H15NOView other entries in RefMet with this formula
Molecular descriptors
Molfile46612 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
InChIKeyRHWSKVCZXBAWLZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCN1C2CCCC1CC(=O)C2
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassPiperidinones
Sub ClassPiperidinones
Distribution of psi-Pelletierine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting psi-Pelletierine
External Links
Pubchem CID11096
ChEBI ID8607
KEGG IDC10865
HMDB IDHMDB0034580
Chemspider ID21244466
Spectral data for psi-Pelletierine standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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