| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:27 UTC |
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| Update Date | 2025-03-21 18:03:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044455 |
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| Frequency | 76.1 |
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| Structure | |
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| Chemical Formula | C16H16INO3 |
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| Molecular Mass | 397.0175 |
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| SMILES | CC(=O)NCCc1ccc(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | RXVVKZYTVSAWAJ-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 benzenoidsacetamidesaryl iodidescarbonyl compoundscarboxylic acids and derivativesdiarylethershydrocarbon derivativesiodobenzenesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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