| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:17 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160817 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9N5O2 |
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| Molecular Mass | 231.0756 |
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| SMILES | Nc1ncc(-c2ccc([N+](=O)[O-])cc2)c(N)n1 |
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| InChI Key | YHOIEELRKQWWBK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | nitrobenzenes |
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| Direct Parent | nitrobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumimidolactamorganoheterocyclic compoundnitrobenzenenitroaromatic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganic hyponitrite |
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