| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:32 UTC |
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| Update Date | 2025-03-21 18:37:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116495 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C3H3BrCl2O2 |
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| Molecular Mass | 219.8693 |
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| SMILES | COC(=O)C(Cl)(Cl)Br |
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| InChI Key | VCMGKXLUCUYXBM-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 compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganochlorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundalkyl bromidealpha-halocarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganobromidealkyl halidehydrocarbon derivativeorganooxygen compound |
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