| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:32 UTC |
|---|
| Update Date | 2025-03-25 00:47:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161381 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17ClN2O3 |
|---|
| Molecular Mass | 272.0928 |
|---|
| SMILES | NCCCOc1ccc(CC(N)C(=O)O)cc1Cl |
|---|
| InChI Key | ASMPOKWJKZWTCN-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 | alkyl aryl ethersalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealkyl aryl etherorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
|---|
