| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:14:02 UTC |
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| Update Date | 2025-03-24 20:39:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01523881 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H8ClNO |
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| Molecular Mass | 145.0294 |
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| SMILES | NC(=O)C1=C(Cl)CCC1 |
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| InChI Key | HLFQXMLCYQOPNV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | vinyl halides |
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| Subclass | vinylogous halides |
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| Direct Parent | vinylogous halides |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeschloroalkeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinyl chlorides |
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| Substituents | primary carboxylic acid amidecarbonyl groupchloroalkeneorganochloridecarboxamide groupcarboxylic acid derivativevinylogous halideorganic oxideorganic oxygen compoundhaloalkeneorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundvinyl chlorideorganooxygen compound |
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