| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:45 UTC |
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| Update Date | 2025-03-21 18:36:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112169 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C13H17NO2 |
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| Molecular Mass | 219.1259 |
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| SMILES | CCCCC(=O)NCC(=O)c1ccccc1 |
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| InChI Key | NXFOAQBGJHTSCV-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 homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietyaryl alkyl ketonefatty amidebenzoylcarboxamide groupcarboxylic acid derivativen-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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