| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:32 UTC |
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| Update Date | 2025-03-21 18:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030217 |
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| Frequency | 123.1 |
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| Structure | |
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| Chemical Formula | C16H17BrN2O |
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| Molecular Mass | 332.0524 |
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| SMILES | CC(=O)NCCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | KEKRTYBPZPYZSJ-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesaryl bromidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundbromobenzenemethylpyridinecarboxamide grouparyl halidesecondary carboxylic acid amidepyridineorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundaryl bromideorganooxygen compound |
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