| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:00 UTC |
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| Update Date | 2025-03-21 17:58:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013166 |
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| Frequency | 341.7 |
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| Structure | |
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| Chemical Formula | C9H7IO4 |
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| Molecular Mass | 305.9389 |
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| SMILES | O=C(O)C(=O)Cc1ccc(O)c(I)c1 |
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| InChI Key | CDAHFUWPMGXLON-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 | benzene and substituted derivatives |
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| Subclass | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl iodidescarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenylpropanoic acids |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxidealpha-keto acidphenylpyruvate2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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