| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:14 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11ClI2O3 |
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| Molecular Mass | 527.8486 |
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| SMILES | O=C(O)CCc1cc(I)c(Oc2ccc(Cl)cc2)c(I)c1 |
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| InChI Key | OPOCUOXKRWSGPO-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 | aryl chloridesaryl iodidescarbonyl compoundscarboxylic acidschlorobenzenesdiarylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganoiodidesphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidearyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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