Mid0005: Casuarine


Name
Casuarine
IUPAC Name
(1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
Molecular Formula
C8H15NO5
Molecular Weight
205.21
Exact Mass
205.0950226
SMILES
C1C(C(C2N1C(C(C2O)O)CO)O)O
InChIKey
AXTGOJVKRHFYBT-XAZAIFFQSA-N
InChI
InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1
Other Databases Link
knapsack_C00036886
Structure
Classification
Alkaloids
Crops containing this metabolite
sweet_potato
maize
wheat
rice
Related MS2T Accessions