| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:21 UTC |
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| Update Date | 2025-03-21 18:28:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070189 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C8H10BrN |
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| Molecular Mass | 198.9997 |
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| SMILES | NCCc1ccc(Br)cc1 |
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| InChI Key | ZSZCXAOQVBEPME-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 derivativesmonoalkylaminesorganobromidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | bromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundaryl bromide |
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