| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13IO2 |
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| Molecular Mass | 303.996 |
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| SMILES | CC(C)(C)c1cc(I)cc(C(=O)O)c1 |
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| InChI Key | MKMRQBVKCBAPSH-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 | benzoic acids and derivatives |
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| Direct Parent | 3-halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodidesbenzoic acidsbenzoyl derivativescarboxylic acidshalobenzoic acidshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundsphenylpropanes |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidephenylpropaneorganic oxide3-halobenzoic acidbenzoic acidhalobenzoic acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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