| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:09 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H25NO5S |
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| Molecular Mass | 427.1453 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(CC3CCCO3)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | IFIDOBNRRIDTNH-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 acid estersdialkyl ethershydrocarbon derivativeslactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstertiary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamalkyl aryl etheralkylarylthioethercarboxylic acid derivativedialkyl etheraryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepineazacycletetrahydrofurancarboxamide groupmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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