| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:57 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237724 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N6O7P |
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| Molecular Mass | 400.0896 |
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| SMILES | Nc1ncnc2c1ncc1c2ncn1CC(O)C(O)C(O)COP(=O)(O)O |
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| InChI Key | KMBLOHIVYKMMBG-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 | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyrimidines and pyrimidine derivativessecondary alcohols |
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| Substituents | polyhalopyridineimidazopyridinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineimidolactamazolen-substituted imidazolealcoholazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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