| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:58 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054981 |
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| Frequency | 58.4 |
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| Structure | |
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| Chemical Formula | C7H6I2O5S |
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| Molecular Mass | 455.8025 |
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| SMILES | COc1cc(I)c(OS(=O)(=O)O)c(I)c1 |
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| InChI Key | SVORKIQOXPOOOM-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 | alkyl aryl ethersanisolesaryl iodideshydrocarbon derivativesiodobenzenesmethoxybenzenesorganic oxidesorganoiodidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxidemethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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