Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:37 UTC |
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Update Date | 2025-03-21 18:35:12 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104506 |
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Frequency | 25.9 |
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Structure | |
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Chemical Formula | C8H10INO |
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Molecular Mass | 262.9807 |
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SMILES | NCCc1cc(O)cc(I)c1 |
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InChI Key | PNRTUQLDGYFIJS-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 | phenols |
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Subclass | halophenols |
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Direct Parent | halophenols |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl iodideshydrocarbon derivativesiodobenzenesm-iodophenolsmonoalkylaminesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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Substituents | 3-halophenolmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzene3-iodophenolorganooxygen compound |
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