| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:37 UTC |
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| Update Date | 2025-03-25 00:47:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H3BrI2O4S |
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| Molecular Mass | 503.7025 |
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| SMILES | O=S(=O)(O)Oc1c(Br)cc(I)cc1I |
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| InChI Key | HPEWJHBUFPEVKB-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 bromidesaryl iodidesbromobenzeneshydrocarbon derivativesiodobenzenesorganic oxidesorganobromidesorganoiodidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbromobenzeneorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganobromidesulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esteraryl bromideorganooxygen compound |
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