| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:48 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14I2O5 |
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| Molecular Mass | 539.8931 |
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| SMILES | COc1ccc(Oc2c(I)cc(CC(O)C(=O)O)cc2I)cc1 |
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| InChI Key | GIMWLYROZFIFAM-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 acids and derivativesanisolesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesphenoxy compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidealcoholhydroxy acidmethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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