Met004377: 2,3-DIMETHYL-1,4-HEXADIENE
Metabolite Information
Name
2,3-DIMETHYL-1,4-HEXADIENE
IUPAC Name
(4E)-2,3-dimethylhexa-1,4-diene
Molecular Formula
C8H14
Molecular Weight
110.2
Exact Mass
110.1095504
SMILES
CC=CC(C)C(=C)C
InChIKey
QGDVKFLWAVKNAA-AATRIKPKSA-N
InChI
InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Hydrocarbons
Class:
Unsaturated hydrocarbons
Subclass:
Branched unsaturated hydrocarbons
Crops containing this metabolite
astragalus
Metabolite Spectrum Accession Label