| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:20 UTC |
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| Update Date | 2025-03-21 18:04:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051249 |
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| Frequency | 63.8 |
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| Structure | |
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| Chemical Formula | C6H6BrN |
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| Molecular Mass | 170.9684 |
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| SMILES | Nc1ccc(Br)cc1 |
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| InChI Key | WDFQBORIUYODSI-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 | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromideshydrocarbon derivativesorganobromidesorganopnictogen compoundsprimary amines |
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| Substituents | bromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaryl bromideamine |
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