| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:51 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207786 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N4O |
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| Molecular Mass | 164.0698 |
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| SMILES | Nc1ncnc2c1C(=O)CCN2 |
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| InChI Key | YAKGNVRFYBEMSE-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 | pyridopyrimidines |
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| Subclass | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyridines and derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketoneazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminepyrimidineketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compoundaryl ketone |
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