| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:54 UTC |
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| Update Date | 2025-03-21 18:29:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076300 |
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| Frequency | 38.6 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | CC(=O)C1CCC(=O)N1C(=O)c1ccccc1 |
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| InChI Key | BJDOIKDUYLNIFI-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesdicarboximideshydrocarbon derivativesketonesn-acylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonecarbonyl grouparomatic heteromonocyclic compoundn-acylpyrrolidinebenzoylcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximidepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidoneorganoheterocyclic compoundazacyclebenzoic acid or derivativescarboxylic acid imideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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