| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:38 UTC |
|---|
| Update Date | 2025-03-25 00:46:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157199 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6N2O3S |
|---|
| Molecular Mass | 210.0099 |
|---|
| SMILES | O=C1CSc2ccc([N+](=O)[O-])cc2N1 |
|---|
| InChI Key | BALSKAVZBPPKCS-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-thiazinesalkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamallyl-type 1,3-dipolar organic compoundbenzothiazinealkylarylthioethercarboxylic acid derivativearyl thioetherorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitroaromatic compoundpara-thiazineazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
