| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:59 UTC |
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| Update Date | 2025-03-21 17:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006091 |
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| Frequency | 857.7 |
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| Structure | |
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| Chemical Formula | C8H9I2NO |
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| Molecular Mass | 388.8774 |
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| SMILES | NCCc1cc(I)c(O)c(I)c1 |
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| InChI Key | UTPBOGJKHATGJY-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 | aryl iodideshydrocarbon derivativesiodobenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moiety2-iodophenolorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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