| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:20 UTC |
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| Update Date | 2025-03-21 18:28:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070136 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C9H9IO4 |
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| Molecular Mass | 307.9546 |
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| SMILES | COc1cc(CC(=O)O)cc(I)c1O |
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| InChI Key | PPHAORGDJRCGCQ-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmethoxybenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide2-iodophenolmethoxybenzenearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativearyl iodidehalobenzenephenoxy compoundorganooxygen compound |
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