| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:27 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225421 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O3 |
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| Molecular Mass | 237.0862 |
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| SMILES | CC(=O)Nc1n[nH]c2c1c(=O)n(C)c(=O)n2C |
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| InChI Key | OIBIFEKNBSSROJ-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 | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkaloids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsn-acetylarylaminesorganic oxidesorganopnictogen compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidonessecondary carboxylic acid amidesureasvinylogous amides |
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| Substituents | carbonyl grouplactamn-acetylarylaminepyrimidonen-arylamidecarboxylic acid derivativepyrazolepyrimidineureaorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamacetamideazolepyrazolo[3,4-d]pyrimidinevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundxanthinecarboxamide groupsecondary carboxylic acid amidealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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