| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:18 UTC |
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| Update Date | 2025-03-21 18:03:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046501 |
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| Frequency | 72.0 |
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| Structure | |
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| Chemical Formula | C15H20N2O3S |
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| Molecular Mass | 308.1195 |
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| SMILES | CC(=O)OC1CSc2ccccc2N(CCN(C)C)C1=O |
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| InChI Key | BLIWCIPYTKFDEZ-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 | alkylarylthioethersamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl grouplactamamino acid or derivativesalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineazacycletertiary aliphatic aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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