| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11Br2IO3 |
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| Molecular Mass | 523.812 |
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| SMILES | O=C(O)CCc1ccc(Oc2ccc(Br)cc2Br)c(I)c1 |
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| InChI Key | KFFLOOOHUAHJAK-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 | bromodiphenyl ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesaryl iodidesbromobenzenescarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganoiodidesphenol ethersphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbromodiphenyl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidebromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativearyl iodidehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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