Mid0030: Cassine


Name
Cassine
IUPAC Name
12-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
Molecular Formula
C18H35NO2
Molecular Weight
297.5
Exact Mass
297.2667794
SMILES
CC1C(CCC(N1)CCCCCCCCCCC(=O)C)O
InChIKey
QPRMGHKASRLPJP-FGTMMUONSA-N
InChI
InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1
Other Databases Link
kegg_C10136
knapsack_C00002027
Structure
Classification
Alkaloids
Crops containing this metabolite
cassava
astragalus
Related MS2T Accessions