| 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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