| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:57 UTC |
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| Update Date | 2025-03-21 17:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017435 |
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| Frequency | 242.2 |
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| Structure | |
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| Chemical Formula | C7H5IO2 |
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| Molecular Mass | 247.9334 |
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| SMILES | O=C(O)c1cccc(I)c1 |
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| InChI Key | KVBWBCRPWVKFQT-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 | halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compounds |
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| Substituents | halobenzoic acidcarboxylic acid3-halobenzoic acid or derivativesbenzoylcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivatives3-halobenzoic acidorganic oxygen compoundhydrocarbon derivativearyl iodidehalobenzenebenzoic acidorganooxygen compound |
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