| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:49 UTC |
|---|
| Update Date | 2025-03-25 00:47:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161993 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO3 |
|---|
| Molecular Mass | 221.1052 |
|---|
| SMILES | O=C(O)C1CCN1CCOc1ccccc1 |
|---|
| InChI Key | XGENSWLAIHFVPL-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersamino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundstrialkylamines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acidazetidinecarboxylic acidalkyl aryl etherorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic amineazetidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
