| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:39 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186836 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15IN2O |
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| Molecular Mass | 378.0229 |
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| SMILES | NCCc1ccc(Oc2ccc3[nH]ccc3c2)c(I)c1 |
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| InChI Key | OCACLHROSPQCHN-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 heteropolycyclic compounds |
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| Alternative Parents | aryl iodidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesiodobenzenesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspyrroles |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietyindoleorganohalogen compoundiodobenzeneorganoiodidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesaryl halidepyrrolehydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound |
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