| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:58 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151052 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26N2O3S |
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| Molecular Mass | 386.1664 |
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| SMILES | COc1ccc(COC2CSc3ccccc3N(CCN(C)C)C2=O)cc1 |
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| InChI Key | LRWVEMHRSHHICO-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 ethersalkylarylthioethersamino acids and derivativesanisolesazacyclic compoundsbenzyletherscarbonyl compoundscarboxylic acids and derivativesdialkyl ethershydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactambenzyletheramino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativedialkyl etheraryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineazacycletertiary aliphatic aminecarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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