| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:40 UTC |
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| Update Date | 2025-03-21 18:03:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044955 |
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| Frequency | 75.1 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | O=C1CCC(C(=O)c2ccccc2)N1 |
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| InChI Key | LBKGPOUNLPXMRF-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 derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietylactamaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amidehydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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