| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:35 UTC |
|---|
| Update Date | 2025-03-21 17:57:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007483 |
|---|
| Frequency | 1055.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2O |
|---|
| Molecular Mass | 148.0637 |
|---|
| SMILES | COc1ccc2nc[nH]c2c1 |
|---|
| InChI Key | ILMHAGCURJPNRZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | benzimidazoles |
|---|
| Direct Parent | benzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | phenol etheretherazacycleheteroaromatic compoundalkyl aryl etherorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
|---|
