| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:43 UTC |
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| Update Date | 2025-03-21 18:34:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102285 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C19H22N2O3S |
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| Molecular Mass | 358.1351 |
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| SMILES | CN(C)CCN1C(=O)C(O)C(c2ccc(O)cc2)Sc2ccccc21 |
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| InChI Key | QYKYTLTVPBXRNC-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 derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary aminealcoholazacycletertiary aliphatic aminecarboxamide grouporganic oxygen compoundthioethersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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