| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:50 UTC |
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| Update Date | 2025-03-21 18:35:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105041 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C15H11IO5 |
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| Molecular Mass | 397.9651 |
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| SMILES | O=C(O)C(=O)Cc1ccc(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | DUKCRCMCQUWHCN-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 benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl iodidescarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesphenol ethersphenoxy compoundsphenylpropanoic acidsphenylpyruvic acid derivatives |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxidealpha-keto acidphenylpyruvatearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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