| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:14:28 UTC |
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| Update Date | 2025-03-24 14:14:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00804893 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C23H16I4N2O5S |
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| Molecular Mass | 939.6959 |
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| SMILES | NC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)c3c[nH]c4ccccc34)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | YQLKBHZSBFYBKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidesazacyclic compoundscarbonyl compoundscarboxylic acidsdiarylethersdiphenylethersheteroaromatic compoundshydrocarbon derivativesindolesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsphenol ethersphenoxy compoundsphenylpropanoic acidspyrrolessulfinic acids and derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidindolesulfinic acid derivativeorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazacycleheteroaromatic compoundindole or derivativesaryl halidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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