| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:13 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067455 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C12H18BrNO2 |
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| Molecular Mass | 287.0521 |
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| SMILES | CC(C)NCC(O)COc1ccc(Br)cc1 |
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| InChI Key | XZLMVZIWSBOEBK-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl bromidesbromobenzenesdialkylamineshydrocarbon derivativesorganobromidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminebromobenzenesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compoundamine |
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