Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:38:09 UTC |
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Update Date | 2025-03-25 00:45:49 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02151483 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C7H2Br3NO |
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Molecular Mass | 352.7686 |
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SMILES | N#Cc1c(O)c(Br)cc(Br)c1Br |
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InChI Key | WEFGZQBNENQUFF-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 | phenols |
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Subclass | halophenols |
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Direct Parent | halophenols |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | aryl bromidesbenzonitrilesbromobenzeneshydrocarbon derivativesm-bromophenolsnitrileso-bromophenolsorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-bromophenols |
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Substituents | monocyclic benzene moietynitrileorganohalogen compound4-halophenolorganonitrogen compoundorganopnictogen compound3-bromophenol2-bromophenolcarbonitrile3-halophenol4-bromophenolbromobenzenebenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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