| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:36 UTC |
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| Update Date | 2025-03-21 18:30:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082814 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C13H9NS |
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| Molecular Mass | 211.0456 |
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| SMILES | C1=Nc2ccccc2Sc2ccccc21 |
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| InChI Key | VKHYKHAWFZNIKB-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 | azacyclic compoundsbenzenoidsdiarylthioethershydrocarbon derivativesiminesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleimineorganic 1,3-dipolar compoundaryl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinearomatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddiarylthioether |
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