| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:46 UTC |
|---|
| Update Date | 2025-03-25 00:58:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232755 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19NO4 |
|---|
| Molecular Mass | 253.1314 |
|---|
| SMILES | CCC(=O)Oc1ccc(C(O)CNC)cc1OC |
|---|
| InChI Key | KTAGTMYCPCMZRW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol esters |
|---|
| Subclass | phenol esters |
|---|
| Direct Parent | phenol esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersamino acids and derivativesanisolesaromatic alcoholscarbonyl compoundscarboxylic acid estersdialkylamineshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupetheramino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
