| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:56 UTC |
|---|
| Update Date | 2025-03-21 18:36:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110187 |
|---|
| Frequency | 24.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H6N2O2 |
|---|
| Molecular Mass | 186.0429 |
|---|
| SMILES | N#Cc1ccc2c(C(=O)O)c[nH]c2c1 |
|---|
| InChI Key | QBYXDZPCHOTIDJ-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
|---|
| Substituents | nitrilecarboxylic acidpyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundcarbonitrileindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
|---|
