| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:00 UTC |
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| Update Date | 2025-03-25 00:50:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178549 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO2 |
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| Molecular Mass | 235.1572 |
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| SMILES | CNCCC(=O)c1ccc(C(O)C(C)C)cc1 |
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| InChI Key | LAUHVLGOSJTMBJ-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 | aromatic alcoholsaryl alkyl ketonesbenzoyl derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moietyaryl alkyl ketonebenzoylsecondary aminephenylpropanearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneamine |
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