| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:55 UTC |
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| Update Date | 2025-03-25 00:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235451 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6N2O4 |
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| Molecular Mass | 206.0328 |
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| SMILES | O=[N+]([O-])c1ccc(O)c2nc(O)ccc12 |
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| InChI Key | MNANKTRYPLUHTB-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 | 1-hydroxy-2-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compoundsquinolones and derivatives |
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| Substituents | polyhalopyridineallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidenitroquinolinearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic oxoazaniumnitroaromatic compoundquinolone8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridineorganic 1,3-dipolar compoundpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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