| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:57 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237708 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H2Cl7NO |
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| Molecular Mass | 372.7956 |
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| SMILES | O=C1C(Cl)C2N1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |
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| InChI Key | URMXDXCPIZGKAD-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 | lactams |
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| Subclass | caprolactams |
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| Direct Parent | caprolactams |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundsazepanesazetidinesbeta lactamscarbonyl compoundscarboxylic acids and derivativeschloroalkeneshydrocarbon derivativesnitrogen mustard compoundsorganic oxidesorganochloridesorganopnictogen compoundspyrrolidinestertiary carboxylic acid amidesvinyl chlorides |
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| Substituents | caprolactamcarbonyl groupalkyl chlorideorganochloridenitrogen mustardcarboxylic acid derivativeorganohalogen compoundaliphatic heteropolycyclic compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundalkyl halidepyrrolidineazacyclechloroalkenecarboxamide groupazetidineazepaneorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativeorganic nitrogen compoundvinyl chloridebeta-lactamorganooxygen compound |
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