| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166456 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H3Br2ClO3 |
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| Molecular Mass | 291.8137 |
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| SMILES | CC(=O)OC(=O)C(Cl)(Br)Br |
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| InChI Key | XQIUSWLFVLDSFR-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl bromidesalkyl chloridesalpha-halocarboxylic acid derivativescarbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativesorganic oxidesorganobromidesorganochlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundalkyl bromidealpha-halocarboxylic acid derivativeorganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativesorganobromidealkyl halidehydrocarbon derivativeorganooxygen compound |
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