| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:44 UTC |
|---|
| Update Date | 2025-03-25 00:58:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230367 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO3 |
|---|
| Molecular Mass | 223.1208 |
|---|
| SMILES | CCOc1ccc(N(CC)CC(=O)O)cc1 |
|---|
| InChI Key | BJYAIBPMTABDNG-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 homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersamino acidsaminophenyl ethersaniline and substituted anilinescarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidalkyl aryl etherorganic oxidetertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineaniline or substituted anilinesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
