| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:49 UTC |
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| Update Date | 2025-03-21 18:30:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081003 |
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| Frequency | 35.8 |
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| Structure | |
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| Chemical Formula | C8H7IO2 |
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| Molecular Mass | 261.9491 |
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| SMILES | O=C(O)Cc1ccc(I)cc1 |
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| InChI Key | FJSHTWVDFAUNCO-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 | halobenzenes |
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| Direct Parent | iodobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganoiodides |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativearyl iodideorganooxygen compound |
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