| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:15 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N2O3+ |
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| Molecular Mass | 183.0764 |
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| SMILES | C[n+]1cc(O)c(C(=O)O)c(CN)c1 |
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| InChI Key | CWRSWZGIAXGDLE-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | carboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationazacycleheteroaromatic compoundhydroxypyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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