| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:17:22 UTC |
|---|
| Update Date | 2025-03-25 01:22:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02379123 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2 |
|---|
| Molecular Mass | 132.0687 |
|---|
| SMILES | Cc1cc(C#N)ccc1N |
|---|
| InChI Key | MBZDCUMFFPWLTJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzonitriles |
|---|
| Direct Parent | benzonitriles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitrilesorganopnictogen compoundsprimary aminestoluenes |
|---|
| Substituents | nitrilebenzonitrilearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundtolueneaminecarbonitrile |
|---|
