| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:57 UTC |
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| Update Date | 2025-03-21 18:04:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048029 |
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| Frequency | 69.1 |
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| Structure | |
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| Chemical Formula | C15H15I2NO3 |
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| Molecular Mass | 510.9141 |
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| SMILES | NC(CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | NKOSKXJRVWVXRI-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 benzenoidsamphetamines and derivativesaryl iodidesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary alcohols |
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| Substituents | diaryl etherphenol etherether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundprimary alcoholamphetamine or derivativesalcoholaryl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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