| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:28 UTC |
|---|
| Update Date | 2025-03-25 00:57:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227644 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO4 |
|---|
| Molecular Mass | 235.0845 |
|---|
| SMILES | CC(=O)N1CC(O)(CC(=O)O)c2ccccc21 |
|---|
| InChI Key | LFMVDOKHTGBEPU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcoholstertiary carboxylic acid amides |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidazacycleindolecarboxamide groupcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
|---|
