| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:47 UTC |
|---|
| Update Date | 2025-03-21 18:07:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068825 |
|---|
| Frequency | 44.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9ClN2O4S2 |
|---|
| Molecular Mass | 307.9692 |
|---|
| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(C(=O)O)CS2 |
|---|
| InChI Key | RIJONYMYGAMAKT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazines |
|---|
| Subclass | benzothiazines |
|---|
| Direct Parent | benzothiazines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,4-thiazinesalkylarylthioethersalpha amino acidsamino acidsaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganochloridebenzothiazinealpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundaryl thioetherorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridepara-thiazineazacycleaminosulfonyl compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
