| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:06 UTC |
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| Update Date | 2025-03-25 00:49:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171805 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O4S |
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| Molecular Mass | 324.1144 |
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| SMILES | CN(C)CCN1C(=O)C(O)C(CC(=O)O)Sc2ccccc21 |
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| InChI Key | NETPYJWMWOHHTL-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 acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary aminealcoholazacycletertiary aliphatic aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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