| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:22 UTC |
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| Update Date | 2025-03-21 18:05:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055914 |
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| Frequency | 57.1 |
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| Structure | |
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| Chemical Formula | C8H9N2O3+ |
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| Molecular Mass | 181.0608 |
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| SMILES | C[n+]1cc(C(N)=O)cc(C(=O)O)c1 |
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| InChI Key | DBKKPGJHRPBNLW-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 | nicotinamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridine-3-carboxylic acidsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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