| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:17 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8INO7S |
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| Molecular Mass | 388.9066 |
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| SMILES | O=C(CO)Nc1cc(I)c(OS(=O)(=O)O)cc1O |
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| InChI Key | QJPODZBEEZYGDM-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 | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsanilidesaryl iodidescarbonyl compoundscarboxylic acids and derivativeshalophenolshydrocarbon derivativesiodobenzenesn-arylamidesorganic oxidesorganoiodidesorganopnictogen compoundsp-iodophenolsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganohalogen compoundiodobenzene4-iodophenolorganoiodidephenylsulfateorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compoundalcoholcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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