| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:18 UTC |
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| Update Date | 2025-03-21 17:58:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011538 |
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| Frequency | 399.9 |
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| Structure | |
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| Chemical Formula | C23H28N2O5S |
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| Molecular Mass | 444.1719 |
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| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1OC |
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| InChI Key | RUDGNVOKGPKGKM-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 compoundscarbonyl compoundscarboxylic acid estersdimethoxybenzeneshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherdimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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