| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12I2O5 |
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| Molecular Mass | 537.8774 |
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| SMILES | COc1ccc(Oc2c(I)cc(CC(=O)C(=O)O)cc2I)cc1 |
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| InChI Key | ZMIKRJFJQQCINT-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 | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesaryl iodidescarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesphenoxy compoundsphenylpropanoic acidsphenylpyruvic acid derivatives |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxidealpha-keto acidphenylpyruvatemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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