| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:17 UTC |
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| Update Date | 2025-03-21 18:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136977 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C9H12BrNO |
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| Molecular Mass | 229.0102 |
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| SMILES | NCCC(O)c1ccc(Br)cc1 |
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| InChI Key | GSWDVKVULHKPED-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 | aromatic alcoholsaryl bromideshydrocarbon derivativesmonoalkylaminesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundaryl bromideorganooxygen compound |
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