| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:14 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120504 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C13H17N4O+ |
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| Molecular Mass | 245.1397 |
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| SMILES | Cc1ncc(C[n+]2cccc(CO)c2C)c(N)n1 |
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| InChI Key | IOWFDNUWGZLBAF-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 | 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-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesorganic cationsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinepyrimidineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundorganic cationimidolactamamineorganooxygen compound |
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