| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:50 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200911 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO2S |
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| Molecular Mass | 209.051 |
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| SMILES | COc1ccc2c(c1)NC(=O)CCS2 |
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| InChI Key | GOCGTBRREUIQSO-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 derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetherlactamalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzothiazepineazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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