| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:22 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N4O4 |
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| Molecular Mass | 238.0702 |
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| SMILES | O=C(O)CCCn1c(=O)[nH]c2nc[nH]c2c1=O |
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| InChI Key | CXJJDPADNPHJSA-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonecarboxylic acid derivativepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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