| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:10 UTC |
|---|
| Update Date | 2025-03-25 00:47:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162800 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12N2O4 |
|---|
| Molecular Mass | 248.0797 |
|---|
| SMILES | O=C(NCC(O)C(=O)O)c1cc2ccccc2[nH]1 |
|---|
| InChI Key | OPDHZCPJUUBFRV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-heteroaryl carboxamidesalpha hydroxy acids and derivativesazacyclic compoundsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidmonosaccharidecarboxylic acid derivative2-heteroaryl carboxamidesaccharideorganic oxidepyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrole-2-carboxamideindolecarboxylic acid derivativealcoholazacycleheteroaromatic compoundhydroxy acidcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
