| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:06 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13IN2O4 |
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| Molecular Mass | 399.992 |
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| SMILES | NC(Cc1cc(I)c(Oc2ccc(O)cc2)cn1)C(=O)O |
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| InChI Key | BUTZYBKXPLSXAR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalpha amino acidsaryl iodidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridines |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridinephenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundphenoxy compound |
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