| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:32 UTC |
|---|
| Update Date | 2025-03-21 18:38:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118912 |
|---|
| Frequency | 21.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO6 |
|---|
| Molecular Mass | 227.043 |
|---|
| SMILES | O=C(O)c1ccc(=O)n(CC(O)C(=O)O)c1 |
|---|
| InChI Key | AFVQPPYTPGOWCK-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinonessecondary alcoholsvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinehydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
|---|
