| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:37 UTC |
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| Update Date | 2025-03-21 18:32:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092260 |
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| Frequency | 30.3 |
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| Structure | |
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| Chemical Formula | C13H15NO2 |
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| Molecular Mass | 217.1103 |
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| SMILES | CC(=O)C1CCC(=O)N1Cc1ccccc1 |
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| InChI Key | FIFRJJLOOYYYOZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesketoneslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidinecarboxamide groupcarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundorganooxygen compound |
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