| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:22 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252515 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10INO4 |
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| Molecular Mass | 334.9655 |
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| SMILES | NC(CC(=O)c1ccc(O)cc1I)C(=O)O |
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| InChI Key | FGOFVBTUQIKLNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaryl alkyl ketonesaryl iodidesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsvinylogous halides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound3-halophenolvinylogous halidearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzene3-iodophenolalkyl-phenylketone |
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