| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:09:05 UTC |
|---|
| Update Date | 2025-03-24 22:31:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01225480 |
|---|
| Frequency | 1.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6N2O |
|---|
| Molecular Mass | 122.048 |
|---|
| SMILES | O=C1CNc2[nH]ccc21 |
|---|
| InChI Key | LBFBQDFEAXVMKJ-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 heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | vinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundamine |
|---|
