| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:46 UTC |
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| Update Date | 2025-03-21 18:05:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056865 |
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| Frequency | 55.9 |
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| Structure | |
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| Chemical Formula | C4H5BrCl2O2 |
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| Molecular Mass | 233.885 |
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| SMILES | CCOC(=O)C(Cl)(Cl)Br |
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| InChI Key | MIWOKTZWOKIZQH-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 bromidesalkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganochlorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundalkyl bromidealpha-halocarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganobromidealkyl halidehydrocarbon derivativeorganooxygen compound |
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