Met001950: 2-Methyl-1,3-butanediol
Metabolite Information
Name
2-Methyl-1,3-butanediol
IUPAC Name
2-methylbutane-1,3-diol
Molecular Formula
C5H12O2
Molecular Weight
104.15
Exact Mass
104.0837296
SMILES
CC(CO)C(C)O
InChIKey
GNBPEYCZELNJMS-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Alcohols and polyols
Crops containing this metabolite
maize
soybean
soybean
Metabolite Spectrum Accession Label