| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:20 UTC |
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| Update Date | 2025-03-21 18:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036960 |
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| Frequency | 95.5 |
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| Structure | |
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| Chemical Formula | C7H8N4O3 |
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| Molecular Mass | 196.0596 |
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| SMILES | Cn1c(=O)c2c(=O)[nH][nH]c2n(C)c1=O |
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| InChI Key | GJTRRCLZOOJTPQ-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 | alkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrazolonespyrimidonesureasvinylogous amides |
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| Substituents | lactampyrimidonepyrazolepyrimidineureaorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazolepyrazolo[3,4-d]pyrimidinevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundxanthinealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundpyrazolinone |
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