Mid0048: Calystegine B1


Name
Calystegine B1
IUPAC Name
(1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
Molecular Formula
C7H13NO4
Molecular Weight
175.18
Exact Mass
175.0844579
SMILES
C1C2C(CC(N2)(C(C1O)O)O)O
InChIKey
BQFFLYRIKODYEN-CXNFULCWSA-N
InChI
InChI=1S/C7H13NO4/c9-4-1-3-5(10)2-7(12,8-3)6(4)11/h3-6,8-12H,1-2H2/t3-,4+,5+,6-,7+/m0/s1
Other Databases Link
knapsack_C00028001
Structure
Classification
Alkaloids
Crops containing this metabolite
sweet_potato
rice
Related MS2T Accessions