| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:15 UTC |
|---|
| Update Date | 2025-03-21 18:39:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125242 |
|---|
| Frequency | 26.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8N2O |
|---|
| Molecular Mass | 124.0637 |
|---|
| SMILES | CCC(=O)c1c[nH]cn1 |
|---|
| InChI Key | KLQYXTXNODUHGR-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 |
|---|
