| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:44 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221548 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23N3O3S |
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| Molecular Mass | 409.146 |
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| SMILES | O=C(O)CCCC(=O)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
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| InChI Key | MOUGNVGEEZPWJH-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 | amidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiarylthioethershydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperazinespropargyl-type 1,3-dipolar organic compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamidinecarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundimidolactamdiarylthioetherazacycleorganic 1,3-dipolar compoundcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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