| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:09 UTC |
|---|
| Update Date | 2025-03-25 00:50:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178851 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H24N2O4S |
|---|
| Molecular Mass | 400.1457 |
|---|
| SMILES | COc1ccc(C2Sc3ccccc3C(=O)N2CCCCC(N)C(=O)O)cc1 |
|---|
| InChI Key | KCMWPEMRGOHAEO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazines |
|---|
| Subclass | benzothiazines |
|---|
| Direct Parent | benzothiazines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,3-thiazinesalkyl aryl ethersalkylarylthioethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesvinylogous thioesters |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidheterocyclic fatty acidfatty acidbenzothiazinealpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativemedium-chain hydroxy acidaryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmeta-thiazinemedium-chain fatty acidvinylogous thioesterazacyclecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
