| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:51 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO2S |
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| Molecular Mass | 269.051 |
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| SMILES | O=C(CO)C1=Nc2ccccc2Sc2ccccc21 |
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| InChI Key | YXNILGQBZPUBGQ-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 | alcohols and polyolsazacyclic compoundsbenzenoidsdiarylthioethershydrocarbon derivativesketiminesketonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholketiminecarbonyl groupazacycleimineorganic 1,3-dipolar compoundaryl thioetherpropargyl-type 1,3-dipolar organic compoundketonedibenzothiazepineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compounddiarylthioether |
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