| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:37 UTC |
|---|
| Update Date | 2025-03-25 00:51:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184418 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9Cl2NO4 |
|---|
| Molecular Mass | 264.9909 |
|---|
| SMILES | NC(Cc1c(Cl)c(O)cc(O)c1Cl)C(=O)O |
|---|
| InChI Key | YFUNWQXJUPSJNC-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidsdichlorobenzeneshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsp-chlorophenolsphenylpropanoic acidsresorcinols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundresorcinol1,3-dichlorobenzeneorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzene4-chlorophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
