| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:02 UTC |
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| Update Date | 2025-03-21 18:03:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043437 |
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| Frequency | 78.3 |
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| Structure | |
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| Chemical Formula | C6H4I2O5S |
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| Molecular Mass | 441.7869 |
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| SMILES | O=S(=O)(O)Oc1cc(I)c(O)cc1I |
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| InChI Key | NDQLRUSNNOEZNU-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 benzenoidsaryl iodideshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolso-iodophenolsorganic oxidesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxide3-halophenol2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid ester3-iodophenolorganooxygen compound |
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