| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:00 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5IO4 |
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| Molecular Mass | 291.9233 |
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| SMILES | O=C(O)c1cccc(C(=O)O)c1I |
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| InChI Key | PBIDRTDEJPAXHY-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesiodobenzenesorganic oxidesorganoiodidesorganooxygen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidemeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acidhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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