| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:57 UTC |
|---|
| Update Date | 2025-03-21 17:59:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00024195 |
|---|
| Frequency | 298.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6N2O |
|---|
| Molecular Mass | 110.048 |
|---|
| SMILES | CC(=O)c1c[nH]cn1 |
|---|
| InChI Key | TUFOJIVMBHBZRQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganoheterocyclic compoundazole |
|---|
