| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:03 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13Cl3NO2+ |
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| Molecular Mass | 248.0006 |
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| SMILES | C[N+](C)(C)C(CC(Cl)(Cl)Cl)C(=O)O |
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| InChI Key | BDTALZKCUMTVSV-UHFFFAOYSA-O |
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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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesaminescarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganochloridesorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochloridefatty acidorganohalogen compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundalkyl halideorganic cationorganic salthalogenated fatty acidtetraalkylammonium saltquaternary ammonium saltmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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