| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:33 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204786 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8INO3 |
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| Molecular Mass | 340.9549 |
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| SMILES | O=[N+]([O-])c1ccc(Oc2ccccc2I)cc1 |
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| InChI Key | XUKMWKRKDTZDFG-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 | aryl iodidesdiarylethershydrocarbon derivativesiodobenzenesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | diaryl etherphenol etheretherallyl-type 1,3-dipolar organic compoundorganohalogen compoundiodobenzeneorganic nitro compoundorganoiodidepropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundorganic hyponitrite |
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