| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:26 UTC |
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| Update Date | 2025-03-21 17:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002481 |
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| Frequency | 2722.7 |
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| Structure | |
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| Chemical Formula | C6H6N4O2 |
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| Molecular Mass | 166.0491 |
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| SMILES | Cn1c(=O)nc2[nH][nH]cc-2c1=O |
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| InChI Key | NEMZYHPQUCOQPJ-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 carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidonesvinylogous amides |
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| Substituents | pyrazolo[3,4-d]pyrimidinevinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonexanthinepyrazolepyrimidineorganic oxidealkaloid or derivativespyrazolopyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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