| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:26 UTC |
|---|
| Update Date | 2025-03-21 17:59:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018518 |
|---|
| Frequency | 223.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O3 |
|---|
| Molecular Mass | 234.1004 |
|---|
| SMILES | NC(Cc1c[nH]c2ccccc12)C(O)C(=O)O |
|---|
| InChI Key | LAYCBJHCMLLANF-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 | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidmonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativeshydroxy acidbeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
