| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187139 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13IO3 |
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| Molecular Mass | 319.9909 |
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| SMILES | CC(C)(C)c1cc(I)cc(C(=O)O)c1O |
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| InChI Key | JUNJFXUVYSUBIB-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativeshalobenzoic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundsp-iodophenolsphenylpropanesvinylogous acids |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesbenzoylsalicylic acidcarboxylic acid derivativeorganohalogen compoundiodobenzene4-iodophenolorganoiodidephenylpropaneorganic oxide3-halobenzoic acid4-halophenol1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acidhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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