Met000047: Imidazole-4-acetaldehyde
Metabolite Information
Name
Imidazole-4-acetaldehyde
IUPAC Name
2-(1H-imidazol-5-yl)acetaldehyde
Molecular Formula
C5H6N2O
Molecular Weight
110.11
Exact Mass
110.0480128
SMILES
C1=C(NC=N1)CC=O
InChIKey
MQSRGWNVEZRLDK-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Azoles
Subclass:
Imidazoles
Crops containing this metabolite
s_miltiorrhiza
leonurus
leonurus
Metabolite Spectrum Accession Label