| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:51 UTC |
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| Update Date | 2025-03-21 18:31:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085750 |
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| Frequency | 62.4 |
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| Structure | |
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| Chemical Formula | C7H5N3O3 |
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| Molecular Mass | 179.0331 |
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| SMILES | O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 |
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| InChI Key | DLJZIPVEVJOKHB-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesnitroaromatic compoundsorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | allyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumazolenitroaromatic compoundcarbonic acid derivativeazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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