| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:54 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159986 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8I2O6S |
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| Molecular Mass | 533.8131 |
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| SMILES | O=S(=O)(O)Oc1ccc(Oc2ccc(I)cc2O)cc1I |
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| InChI Key | BNISCQRQHNGMEM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl iodidesdiarylethershalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsorganic oxidesorganoiodidesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxidearylsulfate3-halophenolorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compoundsulfuric acid ester3-iodophenoldiphenyletherorganooxygen compound |
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