| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:08 UTC |
|---|
| Update Date | 2025-03-21 18:37:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115497 |
|---|
| Frequency | 22.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12ClNO3 |
|---|
| Molecular Mass | 229.0506 |
|---|
| SMILES | COC(=O)C(N)Cc1ccc(O)c(Cl)c1 |
|---|
| InChI Key | KWTIOVPQMRSIJF-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundschlorobenzenesfatty acid estershalophenolshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivatives |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouporganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenetyrosine or derivativesalpha-amino acid esteraryl halidearomatic homomonocyclic compound2-halophenolfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
