| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:17 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179163 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17NO5S |
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| Molecular Mass | 359.0827 |
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| SMILES | COc1ccc(C2C=C(C(=O)O)N(O)c3ccccc3S2)cc1OC |
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| InChI Key | JBUOTCXYCFVDKQ-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 | 1-hydroxylamino, 2-unsubstituted benzenoids1-hydroxylamino, 4-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherdimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzothiazepine1-hydroxylamino, 2-unsubstituted benzenoidazacyclemethoxybenzenen-organohydroxylaminemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisole1-hydroxylamino, 4-unsubstituted benzenoidhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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