| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:55 UTC |
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| Update Date | 2025-03-21 18:31:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088213 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C13H16N2O2 |
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| Molecular Mass | 232.1212 |
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| SMILES | CCC1=C(C)C(c2ccc[n+]([O-])c2)N(C)C1=O |
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| InChI Key | VFHYAIAWRSGBHV-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 | methylpyridines |
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| Direct Parent | methylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundpyrrolinetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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