Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:49:43 UTC |
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Update Date | 2025-03-25 00:49:58 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02177887 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C7H3Br2NO2 |
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Molecular Mass | 290.8531 |
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SMILES | N#Cc1c(O)c(O)cc(Br)c1Br |
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InChI Key | DKLLFZUZUAPFEA-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbenzonitrilesbromobenzeneshydrocarbon derivativesm-bromophenolsnitrilesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-bromophenols |
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Substituents | monocyclic benzene moietynitrile1-hydroxy-2-unsubstituted benzenoidorganohalogen compound4-halophenolorganonitrogen compoundorganopnictogen compound3-bromophenolcarbonitrile3-halophenol4-bromophenolbromobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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