| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:35 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 | DMID00104413 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C8H7IO3 |
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| Molecular Mass | 277.944 |
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| SMILES | O=C(O)Cc1cc(O)cc(I)c1 |
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| InChI Key | IKUBIIBWVBODFV-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 iodidescarbonyl compoundscarboxylic acidshydrocarbon derivativesiodobenzenesm-iodophenolsmonocarboxylic acids and derivativesorganic oxidesorganoiodides |
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| Substituents | 3-halophenolmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativearyl iodidehalobenzene3-iodophenolorganooxygen compound |
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