| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:14 UTC |
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| Update Date | 2025-03-21 18:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031890 |
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| Frequency | 124.0 |
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| Structure | |
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| Chemical Formula | C18H17NO4S |
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| Molecular Mass | 343.0878 |
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| SMILES | COc1ccc(C2Sc3ccccc3NC(=O)C2OC(C)=O)cc1 |
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| InChI Key | WKLRIRQZTCFCSE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzothiazepines |
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| Subclass | benzothiazepines |
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| Direct Parent | benzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylarylthioethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzothiazepineazacyclecarboxamide groupmethoxybenzenesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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