| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:34 UTC |
|---|
| Update Date | 2025-03-21 18:41:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135315 |
|---|
| Frequency | 18.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO2 |
|---|
| Molecular Mass | 207.1259 |
|---|
| SMILES | CC(C(C(=O)O)c1ccccc1)N(C)C |
|---|
| InChI Key | PQOPKZXMEVDYBK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenethylamines |
|---|
| Direct Parent | amphetamines and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanestrialkylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidtertiary aliphatic aminecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamineamphetamine or derivativestertiary amineorganooxygen compound |
|---|
