| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:33 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N4O4 |
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| Molecular Mass | 262.0702 |
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| SMILES | O=C(O)C1=CC(n2cnc3c(=O)[nH]cnc32)C(O)C1 |
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| InChI Key | GEFULBASFLYPEY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonocarboxylic acids and derivativesn-substituted imidazolesnucleoside and nucleotide analoguesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidoneimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacyclepurine nucleosideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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