| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:48 UTC |
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| Update Date | 2025-03-21 18:35:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107407 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C7H6Cl2O4S |
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| Molecular Mass | 255.9364 |
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| SMILES | COS(=O)(=O)Oc1ccc(Cl)cc1Cl |
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| InChI Key | VEKIRTAEAXSQOK-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 | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesaryl chloridesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietyorganochlorideorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatehydrocarbon derivativearylsulfatebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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