| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:58 UTC |
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| Update Date | 2025-03-25 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178478 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N4O4 |
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| Molecular Mass | 200.0546 |
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| SMILES | Cn1cnc(CC([N+](=O)[O-])[N+](=O)[O-])c1 |
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| InChI Key | RMMDAJCJKYFQCN-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitro compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitriten-substituted imidazole |
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