| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:35 UTC |
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| Update Date | 2025-03-21 18:00:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028038 |
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| Frequency | 134.8 |
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| Structure | |
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| Chemical Formula | C9H7IO3 |
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| Molecular Mass | 289.944 |
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| SMILES | O=C(O)C=Cc1ccc(O)c(I)c1 |
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| InChI Key | OVOMXZCAFFMPCR-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide2-iodophenolhydroxycinnamic acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzeneorganooxygen compound |
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