| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:49 UTC |
|---|
| Update Date | 2025-03-25 00:54:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205388 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12N2O5 |
|---|
| Molecular Mass | 276.0746 |
|---|
| SMILES | NC(Cc1cc(C(=O)O)nc2c(O)cccc12)C(=O)O |
|---|
| InChI Key | KSHKULHPBMJZBK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinoline carboxylic acids |
|---|
| Direct Parent | quinoline carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acids |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridine8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativesquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
