| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:51 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12Cl2NO2+ |
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| Molecular Mass | 200.024 |
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| SMILES | COC(=O)C(Cl)(Cl)[N+](C)(C)C |
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| InChI Key | RUOGALCCRBVDGM-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 | 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 chloridesalpha-halocarboxylic acid derivativesaminescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganochloridesorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltalpha-halocarboxylic acid derivativemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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