| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:15 UTC |
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| Update Date | 2025-03-21 18:04:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053348 |
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| Frequency | 60.7 |
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| Structure | |
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| Chemical Formula | C8H10INO2 |
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| Molecular Mass | 278.9756 |
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| SMILES | NCCc1cc(O)c(O)cc1I |
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| InChI Key | DETWLUISRHNOMG-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 derivativesiodobenzenesm-iodophenolsmonoalkylaminesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-iodophenols |
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| Substituents | 3-halophenolmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzene4-iodophenolorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxygen compound4-halophenolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzene3-iodophenolorganooxygen compound |
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