| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:59 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194305 |
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| Frequency | 0.5 |
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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 | CN1C(=O)CCCC1C(=O)c1ccccc1 |
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| InChI Key | JJVYBOQDTJOXJI-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 derivativesdelta lactamshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinonestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietylactamaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidinonepiperidineorganoheterocyclic compoundazacyclecarboxamide groupdelta-lactamhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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