| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:26 UTC |
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| Update Date | 2025-03-21 18:42:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137357 |
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| Frequency | 34.1 |
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| Structure | |
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| Chemical Formula | C11H12N2O2 |
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| Molecular Mass | 204.0899 |
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| SMILES | Nc1ccccc1C(=O)C1CCC(=O)N1 |
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| InChI Key | PXBGNVBYKFCUPW-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 | amino acids and derivativesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsprimary aminespyrrolidine-2-onessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietylactamaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundvinylogous amideazacyclecarboxamide groupsecondary carboxylic acid amidehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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