| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:29 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4N4O3 |
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| Molecular Mass | 180.0283 |
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| SMILES | O=C(O)c1nc(=O)nc2[nH][nH]cc1-2 |
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| InChI Key | FIYJUFOAQYDBGL-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidones |
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| Substituents | pyrazolo[3,4-d]pyrimidinecarbonic acid derivativecarboxylic acidazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativepyrazoleorganic oxidemonocarboxylic acid or derivativespyrazolopyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acidorganooxygen compoundazole |
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