| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:25 UTC |
|---|
| Update Date | 2025-03-25 00:46:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154483 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H23N2O4+ |
|---|
| Molecular Mass | 283.1652 |
|---|
| SMILES | COc1cc(CC(C(N)C(=O)O)[N+](C)(C)C)ccc1O |
|---|
| InChI Key | DCWWXLOEJNUFBC-UHFFFAOYSA-O |
|---|
| 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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsaminesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltmethoxylated amphetaminequaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
