| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:17 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10INO3 |
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| Molecular Mass | 354.9705 |
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| SMILES | O=CNc1ccc(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | QCTUYWCJBDRULV-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 benzenoidsanilidesaryl iodidescarbonyl compoundscarboxylic acids and derivativesdiarylethershydrocarbon derivativesiodobenzenesn-arylamidesorganic oxidesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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