| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:37 UTC |
|---|
| Update Date | 2025-03-25 01:00:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241517 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10Cl2O3 |
|---|
| Molecular Mass | 248.0007 |
|---|
| SMILES | CC(COc1cc(Cl)ccc1Cl)C(=O)O |
|---|
| InChI Key | PESSQKVWAVGHNF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | dichlorobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
|---|
| Substituents | aryl chloridephenol ethercarbonyl groupethercarboxylic acid1,4-dichlorobenzeneorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
