| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:22 UTC |
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| Update Date | 2025-03-21 18:40:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130338 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C5H5N5O2 |
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| Molecular Mass | 167.0443 |
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| SMILES | Nc1[nH][nH]c2nc(=O)[nH]c(=O)c1-2 |
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| InChI Key | NOFUHIHEJWLBKR-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 oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrazolespyrazolo[3,4-d]pyrimidinespyrimidonesvinylogous amides |
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| Substituents | lactampyrimidonepyrazolepyrimidineorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazolepyrazolo[3,4-d]pyrimidinevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundxanthinealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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