| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:23 UTC |
|---|
| Update Date | 2025-03-21 18:01:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034645 |
|---|
| Frequency | 103.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO4 |
|---|
| Molecular Mass | 181.0375 |
|---|
| SMILES | O=C(O)Cc1ncccc1C(=O)O |
|---|
| InChI Key | XMEDVLYVUYAAPL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridine-3-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidpolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
