| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:20 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160925 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8N6O3 |
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| Molecular Mass | 284.0658 |
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| SMILES | Nc1nc2ncc(-c3ccc([N+](=O)[O-])cc3)nc2c(=O)[nH]1 |
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| InChI Key | LNQHDVYPLWZQFF-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrazinespyrimidones |
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| Substituents | monocyclic benzene moietylactamallyl-type 1,3-dipolar organic compoundpyrimidoneorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundpterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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