| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:04 UTC |
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| Update Date | 2025-03-21 18:34:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100648 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C5H5Cl3O4 |
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| Molecular Mass | 233.9253 |
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| SMILES | CC(=O)OC(C(=O)O)C(Cl)(Cl)Cl |
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| InChI Key | YXTWBTIXPRDXMY-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 chloridescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideorganohalogen compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
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