| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:57 UTC |
|---|
| Update Date | 2025-03-21 18:36:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00112649 |
|---|
| Frequency | 23.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12ClNO3 |
|---|
| Molecular Mass | 229.0506 |
|---|
| SMILES | NCC(Cc1ccc(O)c(Cl)c1)C(=O)O |
|---|
| InChI Key | HZEDGMXSBVHCOE-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 | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenebeta amino acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
