| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:53 UTC |
|---|
| Update Date | 2025-03-25 00:46:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157749 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O4S |
|---|
| Molecular Mass | 282.0674 |
|---|
| SMILES | O=C(O)CCCCC1=NS(=O)(=O)Nc2ccccc21 |
|---|
| InChI Key | XQWAVWVHDFNFAG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiadiazines |
|---|
| Subclass | benzothiadiazines |
|---|
| Direct Parent | benzothiadiazines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | benzothiadiazinefatty acylcarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesazacycleheterocyclic fatty acidfatty acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
