| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:43 UTC |
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| Update Date | 2025-03-25 01:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248728 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19N4O2+ |
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| Molecular Mass | 299.1503 |
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| SMILES | Cc1ncc(C[n+]2cccc(CC3CCC(=O)O3)c2)c(N)n1 |
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| InChI Key | DSROUTZYKHWNNO-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 | methylpyridines |
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| Direct Parent | methylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidines and pyrimidine derivativestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativepyrimidinelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamazacycletetrahydrofuranheteroaromatic compoundmethylpyridinegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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