| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:00 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171592 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O3 |
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| Molecular Mass | 263.127 |
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| SMILES | CN1C(=O)CCC1c1ccc(CC(N)C(=O)O)nc1 |
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| InChI Key | KHPCQRVVAPLFMJ-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 | pyrrolidinylpyridines |
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| Direct Parent | pyrrolidinylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkaloids and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrrolidinylpyridinepolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinepyrrolidinepyrrolidoneazacyclen-alkylpyrrolidineheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupmonocarboxylic acid or derivativesalkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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