| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:46 UTC |
|---|
| Update Date | 2025-03-21 18:03:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042746 |
|---|
| Frequency | 79.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H3Cl3N2O |
|---|
| Molecular Mass | 259.9311 |
|---|
| SMILES | COc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N |
|---|
| InChI Key | UXQSHXVXPDJKJU-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 ethersaryl chloridesbenzonitrileschlorobenzeneshydrocarbon derivativesmethoxybenzenesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | monocyclic benzene moietyethernitrileorganochloridealkyl aryl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenemethoxybenzenebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
