| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:10 UTC |
|---|
| Update Date | 2025-03-25 00:50:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183421 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H7NO7S |
|---|
| Molecular Mass | 284.9943 |
|---|
| SMILES | O=C(O)c1c(OS(=O)(=O)O)nc2ccccc2c1O |
|---|
| InChI Key | ATLJNHTZSGRXKE-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-carboxy-2-haloaromatic compounds2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidsquinolones and derivativessulfuric acid monoestersvinylogous acids |
|---|
| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate1-carboxy-2-haloaromatic compound2-halopyridinequinoloneorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinevinylogous acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
