| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250649 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6BrNO |
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| Molecular Mass | 162.9633 |
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| SMILES | O=C1CCC(Br)N1 |
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| InChI Key | UOLKKQYTAYPDNQ-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 | pyrrolidines |
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| Subclass | pyrrolidones |
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| Direct Parent | pyrrolidine-2-ones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl bromidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeorganohalogen compoundalkyl bromidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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