| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:59:26 UTC |
|---|
| Update Date | 2025-03-21 18:06:04 UTC |
|---|
| HMDB ID | HMDB0034171 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00060851 |
|---|
| Name | Benzeneacetonitrile |
|---|
| Frequency | 51.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7N |
|---|
| Molecular Mass | 117.0578 |
|---|
| SMILES | N#CCc1ccccc1 |
|---|
| InChI Key | SUSQOBVLVYHIEX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyl cyanides |
|---|
| Direct Parent | benzyl cyanides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic homomonocyclic compoundnitrilebenzyl-cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
|---|
