| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:31:25 UTC |
|---|
| Update Date | 2025-03-21 18:42:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00137323 |
|---|
| Frequency | 18.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO4 |
|---|
| Molecular Mass | 239.1158 |
|---|
| SMILES | COc1ccc(CC(C)(N)C(=O)O)cc1OC |
|---|
| InChI Key | QCCQWLWXLUTSAK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenethylamines |
|---|
| Direct Parent | methoxylated amphetamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanesphenylpropanoic acids |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativephenylpropanedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
