Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:26 UTC |
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Update Date | 2025-03-21 18:35:07 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104045 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C8H6Cl2O6S |
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Molecular Mass | 299.9262 |
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SMILES | O=C(O)Cc1cc(Cl)c(OS(=O)(=O)O)c(Cl)c1 |
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InChI Key | JYRIKAINORPXMH-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 | phenylsulfates |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compoundssulfuric acid monoesters |
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Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganochloridecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenephenylsulfateorganic oxidearyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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