| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:25 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128051 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C7H5IO4 |
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| Molecular Mass | 279.9233 |
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| SMILES | O=C(O)c1c(O)ccc(I)c1O |
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| InChI Key | JAMXHVIUIOFZNW-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 compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativeshalobenzoic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganooxygen compoundsp-iodophenolsresorcinolsvinylogous acids |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganohalogen compoundiodobenzene4-iodophenolorganoiodideresorcinolorganic oxide3-halobenzoic acid4-halophenol1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acid2-iodophenolhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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