| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:46 UTC |
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| Update Date | 2025-03-21 18:40:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131292 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C11H12BrNO2 |
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| Molecular Mass | 269.0051 |
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| SMILES | CC(=O)NCCC(=O)c1ccc(Br)cc1 |
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| InChI Key | UBMBCYAYRIRECL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesaryl alkyl ketonesaryl bromidesbenzoyl derivativesbromobenzenescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebromobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromidealkyl-phenylketone |
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