| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:15 UTC |
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| Update Date | 2025-03-21 18:39:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125247 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C13H16N5O+ |
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| Molecular Mass | 258.1349 |
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| SMILES | Cc1ncc(C[n+]2cccc(C(N)=O)c2C)c(N)n1 |
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| InChI Key | UWAVTQQAWLRBRV-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 | 2-halopyridinesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmethylpyridinesnicotinamidesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amidespyrimidines and pyrimidine derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamidecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationimidolactamvinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide grouporganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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