| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:00 UTC |
|---|
| Update Date | 2025-03-21 18:03:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043327 |
|---|
| Frequency | 78.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9Cl2NO3 |
|---|
| Molecular Mass | 248.9959 |
|---|
| SMILES | NC(COc1ccc(Cl)cc1Cl)C(=O)O |
|---|
| InChI Key | VOTSHKXFDMZGRH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
