| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:04 UTC |
|---|
| Update Date | 2025-03-21 18:01:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031484 |
|---|
| Frequency | 116.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13N2O3+ |
|---|
| Molecular Mass | 233.0921 |
|---|
| SMILES | C[N+](=O)C(Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | VUCGMWRHDDBSAM-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aminoxidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic oxoazaniumorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundaminoxidepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
