| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:30:37 UTC |
|---|
| Update Date | 2025-03-21 20:57:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00415588 |
|---|
| Frequency | 4.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H7N |
|---|
| Molecular Mass | 93.0578 |
|---|
| SMILES | C=CC(C)=CC#N |
|---|
| InChI Key | CXXUTKDBGLGQFK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | organic cyanides |
|---|
| Direct Parent | nitriles |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileorganopnictogen compoundhydrocarbon derivativecarbonitrile |
|---|
