| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:57 UTC |
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| Update Date | 2025-03-21 18:03:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043220 |
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| Frequency | 78.8 |
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| Structure | |
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| Chemical Formula | C12H13N4O2+ |
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| Molecular Mass | 245.1033 |
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| SMILES | Cc1ncc(C[n+]2cccc(C(=O)O)c2)c(N)n1 |
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| InChI Key | HJXPVAVZQAEOTF-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyridine-3-carboxylic acidcarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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