| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:18 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4S |
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| Molecular Mass | 331.0878 |
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| SMILES | COc1ccc(C2CC(=O)N(O)c3ccccc3S2)cc1OC |
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| InChI Key | AFUXXHDQSUDOEB-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 compoundscarbonyl compoundscarboxylic acids and derivativesdimethoxybenzeneshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherdimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundbenzothiazepineazacyclemethoxybenzeneorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidphenoxy compoundorganooxygen compound |
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