| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:30 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236712 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO2S |
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| Molecular Mass | 243.0354 |
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| SMILES | OC1=Nc2cccc(O)c2Sc2ccccc21 |
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| InChI Key | DZISXQKVAJNXJT-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidscyclic carboximidic acidsdiarylthioethershydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycle1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaryl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compounddiarylthioether |
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