| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:37 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070832 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C8H9I2NO4S |
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| Molecular Mass | 468.8342 |
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| SMILES | NCCc1cc(I)c(OS(=O)(=O)O)c(I)c1 |
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| InChI Key | LRWNAPJAJQQVMY-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 iodideshydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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