| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:37 UTC |
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| Update Date | 2025-03-21 18:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032800 |
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| Frequency | 111.1 |
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| Structure | |
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| Chemical Formula | C9H8I2O3 |
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| Molecular Mass | 417.8563 |
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| SMILES | O=C(O)CCc1cc(I)c(O)c(I)c1 |
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| InChI Key | REWXSFYNOFYMNX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid2-iodophenolcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzeneorganooxygen compound |
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