| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:33 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12I4O5 |
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| Molecular Mass | 791.6864 |
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| SMILES | O=C(O)C(O)CCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 |
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| InChI Key | PKUXHXVHSOVLDH-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 | alpha hydroxy acids and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethershalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesmonosaccharideso-iodophenolsorganic oxidesorganoiodidesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidesaccharideorganic oxidealcohol2-iodophenolhydroxy acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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