| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:07 UTC |
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| Update Date | 2025-03-21 18:39:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124902 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C8H8N2O4 |
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| Molecular Mass | 196.0484 |
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| SMILES | Cc1ncc(C[N+](=O)[O-])c(C=O)c1O |
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| InChI Key | KHLDNHVVJIXIGJ-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 compoundsc-nitro compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compoundspyridine carboxaldehydesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearyl-aldehydec-nitro compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic oxoazaniumazacycleheteroaromatic compoundhydroxypyridinealdehydeorganic 1,3-dipolar compound4-pyridine carboxaldehydevinylogous acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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