| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:53 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9IO4S |
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| Molecular Mass | 327.9266 |
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| SMILES | Cc1ccc(I)c(OS(=O)(=O)O)c1C |
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| InChI Key | VDSYZVKITBSYGA-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 derivativesiodobenzenesorganic oxidesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesterso-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundxylenephenylsulfateorganic oxideo-xyleneorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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