| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:07:36 UTC |
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| Update Date | 2025-03-21 20:47:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00361027 |
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| Frequency | 5.2 |
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| Structure | |
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| Chemical Formula | C5H5N3O2 |
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| Molecular Mass | 139.0382 |
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| SMILES | Cc1cnc([N+](=O)[O-])cn1 |
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| InChI Key | JBLQQRILCREETC-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 derivativesimidolactamsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrazines |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundpyrazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumimidolactamorganoheterocyclic compoundorganic hyponitrite |
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