| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:43:45 UTC |
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| Update Date | 2025-03-21 22:55:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00589341 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C5H4N2O3 |
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| Molecular Mass | 140.0222 |
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| SMILES | O=Cc1ccc([N+](=O)[O-])[nH]1 |
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| InChI Key | LVXNJVISYFBVQR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | nitroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydepropargyl-type 1,3-dipolar organic compoundorganic oxidearyl-aldehydeorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganooxygen compoundorganic hyponitrite |
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