| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:45 UTC |
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| Update Date | 2025-03-21 17:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023690 |
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| Frequency | 165.6 |
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| Structure | |
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| Chemical Formula | C22H26N2O5S |
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| Molecular Mass | 430.1562 |
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| SMILES | COc1cc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)ccc1O |
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| InChI Key | PTAASGWBGPEHII-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersamino acids and derivativesanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineazacycletertiary aliphatic aminecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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