| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:09 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | CC(=O)NCCC(=O)c1cccnc1C(C)C |
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| InChI Key | LPTWNOCOPMSPJP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesaryl alkyl ketonesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouparyl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundacetamideorganooxygen compoundaryl ketone |
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