| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:21 UTC |
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| Update Date | 2025-03-25 00:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5N5O4 |
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| Molecular Mass | 211.0342 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2[nH]c([N+](=O)[O-])nc21 |
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| InChI Key | CUKVQGUXYGJJJX-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsnitroaromatic compoundsorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amides |
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| Substituents | lactamallyl-type 1,3-dipolar organic compoundpyrimidonepurinoneorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumazolenitroaromatic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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