| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:16 UTC |
|---|
| Update Date | 2025-03-25 01:00:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02240720 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15NO4 |
|---|
| Molecular Mass | 261.1001 |
|---|
| SMILES | CC(=O)OC(Cc1cn(C)c2ccccc12)C(=O)O |
|---|
| InChI Key | CQJKIOZYROIUHU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | n-alkylindoles |
|---|
| Direct Parent | n-alkylindoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
|---|
| Substituents | carbonyl groupn-methylpyrrolen-alkylindolecarboxylic acidazacycleindoleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
