| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:39:56 UTC |
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| Update Date | 2025-03-25 01:08:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02292499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | Nc1cccc(C=O)n1 |
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| InChI Key | PXYOOBSFOBZSBX-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridine carboxaldehydes |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydeorganic oxide2-pyridine carboxaldehydearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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