| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:09:14 UTC |
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| Update Date | 2025-03-24 22:31:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01225859 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C18H14I4O12S |
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| Molecular Mass | 961.6385 |
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| SMILES | O=C(O)C1OC(Oc2cc(I)c(Oc3cc(I)c(OS(=O)(=O)O)c(I)c3)c(I)c2)C(O)C(O)C1O |
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| InChI Key | XEFIHKJCCWIBLV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl iodidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethersglucuronic acid derivativeshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganoiodidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylsulfatespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundiodobenzenepyran carboxylic acidorganoiodide1-o-glucuronidephenylsulfatebeta-hydroxy acidorganic oxideacetalarylsulfateoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterdiphenylether |
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