| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:47 UTC |
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| Update Date | 2025-03-21 18:29:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078483 |
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| Frequency | 37.3 |
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| Structure | |
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| Chemical Formula | C21H23ClN2O3S |
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| Molecular Mass | 418.1118 |
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| SMILES | CC(=O)OC1C(=O)N(CCN(C)C)c2ccccc2SC1c1ccc(Cl)cc1 |
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| InChI Key | KNVQODFRYGHHBO-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 | alkylarylthioethersamino acids and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acid esterschlorobenzeneshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamamino acid or derivativesorganochloridealkylarylthioethercarboxylic acid derivativeorganohalogen compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary aminearyl chloridechlorobenzeneazacycletertiary aliphatic aminecarboxamide grouparyl halidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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