| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:01 UTC |
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| Update Date | 2025-03-21 18:33:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095639 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C6H4ClIO4S |
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| Molecular Mass | 333.8564 |
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| SMILES | O=S(=O)(O)Oc1ccc(Cl)cc1I |
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| InChI Key | PIRDVEWWIIZNOW-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 chloridesaryl iodideschlorobenzeneshydrocarbon derivativesiodobenzenesorganic oxidesorganochloridesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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