| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:12 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO3 |
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| Molecular Mass | 275.1521 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)C2CCN(C)CC2)cc1 |
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| InChI Key | QLKYCAJNIKCMON-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 acidsaromatic monoterpenoidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidspiperidinestrialkylamines |
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| Substituents | monoterpenoidmonocyclic benzene moietymonocyclic monoterpenoidcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundgamma-aminoketoneazacycletertiary aliphatic aminemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketonearomatic monoterpenoid |
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