| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:51 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155488 |
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| Frequency | 0.5 |
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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 | Cc1nc(C)c([N+](=O)[O-])c(O)c1C=O |
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| InChI Key | VVJMUYJHHXZHND-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 derivativeshydroxypyridinesnitroaromatic compoundsorganic 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 derivatives3-pyridine carboxaldehydearomatic heteromonocyclic compoundpolyhalopyridineallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearyl-aldehydec-nitro compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic oxoazaniumnitroaromatic compoundazacycleheteroaromatic compoundhydroxypyridinealdehydeorganic 1,3-dipolar compoundvinylogous acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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