| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:59 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151097 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25N4O4+ |
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| Molecular Mass | 373.187 |
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| SMILES | Cc1ncc(C[n+]2cc(C)c(CCC(=O)O)c(CCC(=O)O)c2C)c(N)n1 |
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| InChI Key | DVCULLCAMOSULY-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-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesorganic cationsorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridinecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationimidolactamazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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