| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:29 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16NO2+ |
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| Molecular Mass | 218.1176 |
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| SMILES | C[N+]1(C)C(=O)CCC1C(=O)c1ccccc1 |
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| InChI Key | KVJNHRNYZUODPP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclen-alkylpyrrolidinehydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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