| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:21 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096438 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C7H5IO6S |
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| Molecular Mass | 343.8852 |
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| SMILES | O=C(O)c1ccc(OS(=O)(=O)O)c(I)c1 |
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| InChI Key | SSHZRWWCOSOFMG-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 | 3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativescarboxylic acidshalobenzoic acidshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acid3-halobenzoic acid or derivativesbenzoylcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxide3-halobenzoic acidbenzoic acidhalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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