| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:07 UTC |
|---|
| Update Date | 2025-03-25 00:55:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213241 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NOS |
|---|
| Molecular Mass | 193.0561 |
|---|
| SMILES | CN1C(=O)CCSc2ccccc21 |
|---|
| InChI Key | SWLPEEUPLOKPNS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazepines |
|---|
| Subclass | benzothiazepines |
|---|
| Direct Parent | benzothiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamazacyclealkylarylthioethercarboxamide groupcarboxylic acid derivativearyl thioetherorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioethertertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidbenzothiazepineorganic nitrogen compoundorganooxygen compound |
|---|
