| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:04 UTC |
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| Update Date | 2025-03-21 18:28:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074334 |
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| Frequency | 39.9 |
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| Structure | |
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| Chemical Formula | C5H4N2O2 |
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| Molecular Mass | 124.0273 |
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| SMILES | O=[N+]([O-])c1cccnc1 |
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| InChI Key | QLILRKBRWXALIE-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyridines and derivatives |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganic hyponitrite |
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