| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:46 UTC |
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| Update Date | 2025-03-21 18:29:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078454 |
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| Frequency | 37.3 |
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| Structure | |
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| Chemical Formula | C2H2BrClO2 |
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| Molecular Mass | 171.8927 |
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| SMILES | O=C(O)C(Cl)Br |
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| InChI Key | GEHJBWKLJVFKPS-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl bromidesalkyl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganochlorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-halocarboxylic acidorganohalogen compoundalkyl bromideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidealkyl halidehydrocarbon derivativeorganooxygen compound |
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