| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:05 UTC |
|---|
| Update Date | 2025-03-21 18:35:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108111 |
|---|
| Frequency | 24.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9Cl3O2 |
|---|
| Molecular Mass | 253.9668 |
|---|
| SMILES | COc1ccc(C(O)C(Cl)(Cl)Cl)cc1 |
|---|
| InChI Key | DQMIPRIVNVYSDB-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 ethersalkyl chloridesaromatic alcoholschlorohydrinshydrocarbon derivativesmethoxybenzenesorganochloridesphenoxy compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyetherchlorohydrinhalohydrinalkyl chlorideorganochloridealkyl aryl etherorganohalogen compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholalkyl halidehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
