| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:09 UTC |
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| Update Date | 2025-03-21 18:31:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086447 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C18H17NO5S |
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| Molecular Mass | 359.0827 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(O)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | GYKVZDPNNKLRSM-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 derivativeshydroxamic acidsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzothiazepineazacyclemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidphenoxy compoundorganooxygen compound |
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