| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:05 UTC |
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| Update Date | 2025-03-25 01:01:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO3 |
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| Molecular Mass | 249.1365 |
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| SMILES | CC(C(=O)O)c1cccc(C(=O)CCN(C)C)c1 |
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| InChI Key | HQMNIDBRYMUZQM-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 | amino acidsaryl alkyl ketonesbenzoyl derivativesbeta-amino ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundbeta-aminoketonetertiary aminetertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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