| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15BrINO3 |
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| Molecular Mass | 462.928 |
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| SMILES | NC(CO)Cc1cc(Br)c(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | OJLQCQSGVFETHL-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 | 1-hydroxy-2-unsubstituted benzenoidsamphetamines and derivativesaryl bromidesaryl iodidesbromobenzenesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganobromidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary alcohols |
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| Substituents | diaryl etherphenol etheretherbromodiphenyl ether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundprimary alcoholamphetamine or derivativesalcoholbromobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidephenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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