| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:22:03 UTC |
|---|
| Update Date | 2025-03-21 19:12:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00255496 |
|---|
| Frequency | 8.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2 |
|---|
| Molecular Mass | 132.0687 |
|---|
| SMILES | CNc1ccccc1C#N |
|---|
| InChI Key | SHIBMGQAICRHTE-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 compoundsphenylalkylaminessecondary alkylarylamines |
|---|
| Substituents | nitrilesecondary aminebenzonitrilesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundaminecarbonitrile |
|---|
