| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:54 UTC |
|---|
| Update Date | 2025-03-21 18:31:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00088176 |
|---|
| Frequency | 32.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H9NO7S |
|---|
| Molecular Mass | 299.01 |
|---|
| SMILES | COC(=O)c1cc(=O)c2cccc(OS(=O)(=O)O)c2[nH]1 |
|---|
| InChI Key | IVMDGGQQHYXPBJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolones and derivatives |
|---|
| Direct Parent | hydroquinolones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridinesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssulfuric acid monoestersvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoesterpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidmethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
