| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:19 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5N3O4 |
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| Molecular Mass | 171.028 |
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| SMILES | Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] |
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| InChI Key | LIVYMRJSNFHYEN-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 derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundnitroaromatic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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