| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:19 UTC |
|---|
| Update Date | 2025-03-21 18:03:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041662 |
|---|
| Frequency | 82.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO3 |
|---|
| Molecular Mass | 209.1052 |
|---|
| SMILES | CNC(Cc1ccc(OC)cc1)C(=O)O |
|---|
| InChI Key | QESMMBKGCOSBNL-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 acidsamino acidsanisolescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminemethoxylated amphetaminesecondary aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
