| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:59 UTC |
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| Update Date | 2025-03-21 18:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033708 |
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| Frequency | 107.4 |
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| Structure | |
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| Chemical Formula | C2HBrCl2O2 |
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| Molecular Mass | 205.8537 |
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| SMILES | O=C(O)C(Cl)(Cl)Br |
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| InChI Key | XSWVFEQKZFUULO-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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