| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:47:05 UTC |
|---|
| Update Date | 2025-03-21 18:50:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00174280 |
|---|
| Frequency | 13.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO3 |
|---|
| Molecular Mass | 139.0269 |
|---|
| SMILES | O=Cc1c[nH]cc1C(=O)O |
|---|
| InChI Key | SMZNYKPEPNSZFV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | pyrrole carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrole carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
|---|
