Met005837: 2,3-HEXANEDIONE
Metabolite Information
Name
2,3-HEXANEDIONE
IUPAC Name
hexane-2,3-dione
Molecular Formula
C6H10O2
Molecular Weight
114.14
Exact Mass
114.0680796
SMILES
CCCC(=O)C(=O)C
InChIKey
MWVFCEVNXHTDNF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbonyl compounds
Crops containing this metabolite
rice
leonurus
leonurus
Metabolite Spectrum Accession Label