Met005284: Pirbuterol
Metabolite Information
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
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Pyridines and derivatives
Subclass:
Hydroxypyridines
Crops containing this metabolite
astragalus
cassava
maize
rice
sweet_potato
wheat
morus
avocado
chestnut
lemon
lentil
loquat
pea
cassava
maize
rice
sweet_potato
wheat
morus
avocado
chestnut
lemon
lentil
loquat
pea
Metabolite Spectrum Accession Label