| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:31 UTC |
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| Update Date | 2025-03-21 18:30:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082631 |
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| Frequency | 34.9 |
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| Structure | |
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| Chemical Formula | C17H18N2OS |
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| Molecular Mass | 298.114 |
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| SMILES | CN(C)CCN1C(=O)c2ccccc2Sc2ccccc21 |
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| InChI Key | HYOBRJLXMSIBHY-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 | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdiarylthioethershydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundstertiary carboxylic acid amidestrialkylaminesvinylogous thioesters |
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| Substituents | lactamamino acid or derivativescarboxylic acid derivativearyl thioetherdibenzothiazepineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary aminediarylthioethervinylogous thioesterazacycletertiary aliphatic aminecarboxamide grouporganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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