| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:35 UTC |
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| Update Date | 2025-03-21 18:04:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049537 |
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| Frequency | 166.4 |
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| Structure | |
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| Chemical Formula | C6H7N5O |
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| Molecular Mass | 165.0651 |
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| SMILES | CNc1nc(=O)c2cn[nH]c2[nH]1 |
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| InChI Key | TXLNTIMPXAAAFE-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 | pyrazolopyrimidines |
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| Subclass | pyrazolo[3,4-d]pyrimidines |
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| Direct Parent | pyrazolo[3,4-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrazolespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | pyrazolo[3,4-d]pyrimidinevinylogous amideazacycleheteroaromatic compoundpyrimidonesecondary aminepyrazolesecondary aliphatic/aromatic aminepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineazole |
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