| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:45 UTC |
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| Update Date | 2025-03-21 18:41:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133515 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C21H24N2O5S |
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| Molecular Mass | 416.1406 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)O)cc1 |
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| InChI Key | PSBJYSOIHGEJOP-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 compoundscarbonic acid monoesterscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary aminecarbonic acid derivativeazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenecarbonic acid monoesterorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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