| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:47 UTC |
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| Update Date | 2025-03-21 18:35:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104901 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C14H20N4O4P+ |
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| Molecular Mass | 339.1217 |
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| SMILES | Cc1ncc(C[n+]2cccc(CCOP(=O)(O)O)c2C)c(N)n1 |
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| InChI Key | NEWJDFMMVWTGEX-UHFFFAOYSA-O |
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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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundpolyhalopyridinepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationimidolactamazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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