| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:22 UTC |
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| Update Date | 2025-03-21 18:41:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134882 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C10H11IO4 |
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| Molecular Mass | 321.9702 |
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| SMILES | O=C(O)C(CO)Cc1ccc(O)c(I)c1 |
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| InChI Key | YUNSLXPVBSFFGI-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesprimary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidebeta-hydroxy acidorganic oxideprimary alcoholalcohol2-iodophenolhydroxy acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzeneorganooxygen compound |
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