| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:21 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C3H3Cl3O6S |
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| Molecular Mass | 271.8716 |
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| SMILES | O=C(O)C(OS(=O)(=O)O)C(Cl)(Cl)Cl |
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| InChI Key | BINVDKOHNIFFQO-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesulfate-esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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