| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:07 UTC |
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| Update Date | 2025-03-21 18:05:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060070 |
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| Frequency | 52.2 |
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| Structure | |
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| Chemical Formula | C15H11NO3S |
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| Molecular Mass | 285.046 |
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| SMILES | O=C(O)CN1C(=O)c2ccccc2Sc2ccccc21 |
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| InChI Key | AXULNKOHRGEXJP-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 | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiarylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesvinylogous thioesters |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativearyl thioetherdibenzothiazepineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compounddiarylthioethervinylogous thioesterazacyclecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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