| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200028 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O |
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| Molecular Mass | 180.1011 |
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| SMILES | Cn1c2c(c(N)nc1=O)CCCN2 |
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| InChI Key | NWIKWPSEJXUKRK-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyridines and derivativespyrimidonessecondary alkylarylamines |
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| Substituents | carbonic acid derivativeazacycleheteroaromatic compoundpyrimidonesecondary aminepyrimidinesecondary aliphatic/aromatic amineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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