| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:22 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9IO3 |
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| Molecular Mass | 291.9596 |
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| SMILES | CC(C(=O)O)c1ccc(O)cc1I |
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| InChI Key | CAEZTJBTXIHTRI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonocarboxylic acids and derivativesorganic oxidesorganoiodides |
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| Substituents | 3-halophenolmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzene3-iodophenolorganooxygen compound |
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