| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:55 UTC |
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| Update Date | 2025-03-21 18:03:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045590 |
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| Frequency | 73.8 |
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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)c1cc(O)c(O)c(I)c1 |
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| InChI Key | MWMYMLUIRRHCDI-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativescarboxylic acidshalobenzoic acidshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganooxygen compounds |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide3-halobenzoic acidbenzoic acid3-halophenolhalobenzoic acid2-iodophenolhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativearyl iodidehalobenzene3-iodophenolorganooxygen compound |
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