| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:42 UTC |
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| Update Date | 2025-03-21 18:39:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126326 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C10H12N3O2+ |
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| Molecular Mass | 206.0924 |
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| SMILES | NC(=O)c1ccc[n+](C2CCC(=O)N2)c1 |
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| InChI Key | PRDTWHLJVXFWLQ-UHFFFAOYSA-O |
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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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolidine-2-onessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivatives2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationpyrrolidinepyrrolidonevinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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