| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:56 UTC |
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| Update Date | 2025-03-21 18:36:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110204 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C10H6N2O5 |
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| Molecular Mass | 234.0277 |
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| SMILES | O=C(O)c1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 |
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| InChI Key | KQFRZQHCZNAUOS-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 | quinolines and derivatives |
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| Subclass | nitroquinolines and derivatives |
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| Direct Parent | nitroquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compoundspyridine-2-carboxylic acidsquinoline carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpolyhalopyridineallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyridine-2-carboxylic acidnitroquinolinearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic oxoazaniumnitroaromatic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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