| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:44 UTC |
|---|
| Update Date | 2025-03-21 18:03:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047548 |
|---|
| Frequency | 70.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H7NO8S |
|---|
| Molecular Mass | 300.9892 |
|---|
| SMILES | O=C(O)c1cc(=O)c2ccc(O)c(OS(=O)(=O)O)c2[nH]1 |
|---|
| InChI Key | PWNLYHZQUDKCEY-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 benzenoids2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssulfuric acid monoestersvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
