| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:57 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160081 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6N2O2 |
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| Molecular Mass | 174.0429 |
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| SMILES | O=[N+]([O-])c1ccc2cccnc2c1 |
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| InChI Key | MXKZSCXYMSXOAO-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compoundspyridines and derivatives |
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| Substituents | polyhalopyridineallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidenitroquinolinearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic oxoazaniumnitroaromatic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic hyponitrite |
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