| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:07 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26INO5 |
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| Molecular Mass | 499.0856 |
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| SMILES | CC(C)NCC(O)COc1ccc(Oc2ccc(CCC(=O)O)cc2I)cc1 |
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| InChI Key | POYJOMAVKUOJMY-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 ethersamino acidsaryl iodidescarbonyl compoundscarboxylic acidsdialkylaminesdiarylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundamine |
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