| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:08 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178836 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17NO2S |
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| Molecular Mass | 323.098 |
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| SMILES | COc1ccc(C2Sc3ccccc3NC3=C2C(=O)CC3)cc1 |
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| InChI Key | PTNWYCWHLRXOQN-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 compoundshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralkylarylthioetheraryl thioetherketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzothiazepinevinylogous amideazacyclesecondary aminemethoxybenzenesecondary aliphatic/aromatic amineorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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