| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H7Br2NO |
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| Molecular Mass | 350.8894 |
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| SMILES | N#Cc1ccc(Oc2ccc(Br)cc2)c(Br)c1 |
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| InChI Key | FYLXTEUIINKHAL-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 bromidesbenzonitrilesbromobenzenesdiarylethershydrocarbon derivativesnitrilesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrilebromodiphenyl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilebromobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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