| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:24 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H7Cl3NO+ |
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| Molecular Mass | 189.9588 |
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| SMILES | CCC[N+](=O)C(Cl)(Cl)Cl |
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| InChI Key | IZXYPZCMLXWQST-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 | alkyl halides |
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| Subclass | halomethanes |
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| Direct Parent | trihalomethanes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesaminoxideshydrocarbon derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganochloridesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundtrihalomethanealkyl chlorideorganochlorideorganic oxideorganic oxygen compoundaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazanium |
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