| 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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