| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199947 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8INO2 |
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| Molecular Mass | 336.96 |
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| SMILES | N#Cc1ccc(I)c(Oc2ccc(O)cc2)c1 |
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| InChI Key | IGKLTEWTNFEBST-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 benzenoidsaryl iodidesbenzonitrilesdiarylethershydrocarbon derivativesiodobenzenesnitrilesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrile1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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