| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:38 UTC |
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| Update Date | 2025-03-21 18:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061343 |
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| Frequency | 50.8 |
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| Structure | |
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| Chemical Formula | C12H17N3O |
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| Molecular Mass | 219.1372 |
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| SMILES | CC(N)C(=O)N1CCCC1c1cccnc1 |
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| InChI Key | NSTGYSRGHHQAIK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkaloids and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidinylpyridinestertiary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpyrrolidinylpyridinen-acylpyrrolidineorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundmethylpyridinecarboxamide groupalkaloid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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