| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:29 UTC |
|---|
| Update Date | 2025-03-21 18:07:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068084 |
|---|
| Frequency | 44.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H18N2O5 |
|---|
| Molecular Mass | 306.1216 |
|---|
| SMILES | COc1ccc2[nH]cc(CC(NC(=O)C(C)O)C(=O)O)c2c1 |
|---|
| InChI Key | HXYJAUUIALSHTE-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
