| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:27 UTC |
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| Update Date | 2025-03-21 17:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004913 |
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| Frequency | 1116.9 |
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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 | NCCc1ccc(O)c(I)c1 |
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| InChI Key | XJAUFQWJQUNMMW-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 benzenoidsaryl iodideshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moiety2-iodophenol1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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