| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:26 UTC |
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| Update Date | 2025-03-25 00:45:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149801 |
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| Frequency | 0.5 |
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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)Cc1cc(I)cc(C(=O)O)c1 |
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| InChI Key | DJFKGTUDJDJIEF-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 derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesiodobenzenesorganic oxidesorganoiodides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide3-halobenzoic acidbenzoic acidhalobenzoic acidaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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