| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:50 UTC |
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| Update Date | 2025-03-21 18:41:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135974 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C8H10IN |
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| Molecular Mass | 246.9858 |
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| SMILES | NCCc1ccc(I)cc1 |
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| InChI Key | IQFHGSFDGGJWSJ-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 | halobenzenes |
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| Direct Parent | iodobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodideshydrocarbon derivativesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | organohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compound |
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