| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:04 UTC |
|---|
| Update Date | 2025-03-21 18:01:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031483 |
|---|
| Frequency | 116.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO |
|---|
| Molecular Mass | 133.0528 |
|---|
| SMILES | COc1ccc(C#N)cc1 |
|---|
| InChI Key | XDJAAZYHCCRJOK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersbenzonitrileshydrocarbon derivativesmethoxybenzenesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | monocyclic benzene moietyethernitrilealkyl aryl ethermethoxybenzenebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundcarbonitrileorganooxygen compound |
|---|
