| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:46 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15IO7 |
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| Molecular Mass | 457.9863 |
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| SMILES | O=C(O)CC(O)(Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O |
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| InChI Key | AXYDRVVOJUOMGC-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdicarboxylic acids and derivativeshydrocarbon derivativesiodobenzenesorganic oxidesorganoiodidesphenol ethersphenoxy compoundsphenylpropanoic acidstertiary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidealcoholhydroxy acidaryl halidearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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