| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10Cl6NO2+ |
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| Molecular Mass | 349.8837 |
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| SMILES | C[N+](C)(C)C(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
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| InChI Key | CQLYRZDJNGPXEC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | alpha-halocarboxylic acids and derivatives |
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| Direct Parent | alpha-halocarboxylic acid derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganochloridesorganonitrogen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltalkyl chlorideorganochlorideorganohalogen compoundalpha-halocarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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