| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:44 UTC |
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| Update Date | 2025-03-21 18:40:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131192 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C8H6N2O3 |
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| Molecular Mass | 178.0378 |
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| SMILES | Cc1ncc(C#N)c(C(=O)O)c1O |
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| InChI Key | TUUOCUCJEAYGDC-UHFFFAOYSA-N |
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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 compounds2-halopyridines3-pyridinecarbonitrilesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | nitrilecarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxide3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinecarbonitrileazacycleheteroaromatic compoundhydroxypyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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