| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:42 UTC |
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| Update Date | 2025-03-25 00:52:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20N2O3S |
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| Molecular Mass | 356.1195 |
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| SMILES | CN(C)CCN1C(=O)C(=O)C(c2ccc(O)cc2)Sc2ccccc21 |
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| InChI Key | LUACVWXPHBQQDP-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 benzenoidsalkylarylthioethersamino acids and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativescyclic ketoneshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidcyclic ketonealkylarylthioethercarboxylic acid derivativearyl thioetherketoneorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineazacycletertiary aliphatic aminecarboxamide grouporganic oxygen compoundthioetherphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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