| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:54 UTC |
|---|
| Update Date | 2025-03-21 18:02:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00035870 |
|---|
| Frequency | 99.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H11NO4 |
|---|
| Molecular Mass | 233.0688 |
|---|
| SMILES | O=C(CC(O)C(=O)O)c1c[nH]c2ccccc12 |
|---|
| InChI Key | LSOYYWGKIOETIA-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 | alpha hydroxy acids and derivativesaryl alkyl ketonesazacyclic compoundsbenzenoidsbeta-hydroxy ketonescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholsvinylogous amides |
|---|
| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaryl alkyl ketoneindolealpha-hydroxy acidcarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
