| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:57:11 UTC |
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| Update Date | 2025-03-25 00:31:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02055422 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H5N3O3 |
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| Molecular Mass | 143.0331 |
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| SMILES | Cn1cnc([N+](=O)[O-])c1O |
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| InChI Key | AHFJNVHKYUDTAQ-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 | nitroimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-substituted imidazolesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidenitroimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumimidolactamn-substituted imidazolenitroaromatic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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