Mid0065: Pirbuterol


Name
Pirbuterol
IUPAC Name
6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
Molecular Formula
C12H20N2O3
Molecular Weight
240.3
Exact Mass
240.1473925
SMILES
CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O
InChIKey
VQDBNKDJNJQRDG-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
Other Databases Link
kegg_C07807
Structure
Classification
Alcohols
Crops containing this metabolite
sweet_potato
maize
cassava
wheat
rice
astragalus
Related MS2T Accessions