| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:41 UTC |
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| Update Date | 2025-03-21 18:37:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116858 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C13H16N5O2+ |
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| Molecular Mass | 274.1299 |
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| SMILES | Cc1ncc(C[n+]2c[nH]c(C=CC(=O)O)c2C)c(N)n1 |
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| InChI Key | PTQAKOURTRBSSJ-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic cationsorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativepyrimidineorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganic cationimidolactamazolen-substituted imidazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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