| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:46 UTC |
|---|
| Update Date | 2025-03-21 18:40:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131295 |
|---|
| Frequency | 35.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N2O |
|---|
| Molecular Mass | 160.0637 |
|---|
| SMILES | CC(=O)c1ccc2[nH]cnc2c1 |
|---|
| InChI Key | PLHBJRPIYKTQOU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | benzimidazoles |
|---|
| Direct Parent | benzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetophenonesaryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aryl alkyl ketoneazacycleheteroaromatic compoundketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketoneazole |
|---|
