| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:26 UTC |
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| Update Date | 2025-03-21 18:41:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132814 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C16H15NO3S |
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| Molecular Mass | 301.0773 |
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| SMILES | COc1ccc(C2Sc3ccccc3NC(=O)C2O)cc1 |
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| InChI Key | LHBHZALHFIQJGJ-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 acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzothiazepinealcoholazacyclecarboxamide groupmethoxybenzenesecondary carboxylic acid amideorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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