| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:58 UTC |
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| Update Date | 2025-03-21 18:35:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107844 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C13H14N2O3 |
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| Molecular Mass | 246.1004 |
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| SMILES | CC(=O)C1CCC(=O)N1C(=O)Cc1cccnc1 |
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| InChI Key | KCUGHXHFRGUKTC-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 | pyrrolidines |
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| Subclass | n-acylpyrrolidines |
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| Direct Parent | n-acylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesdicarboximidesheteroaromatic compoundshydrocarbon derivativesketonesmethylpyridinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundn-acylpyrrolidinemethylpyridinecarboxylic acid derivativecarboxylic acid imideketoneorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundcarboxylic acid imide, n-substitutedpyrrolidoneorganooxygen compound |
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