| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:25 UTC |
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| Update Date | 2025-03-21 18:04:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049153 |
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| Frequency | 67.2 |
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| Structure | |
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| Chemical Formula | C14H21NO3 |
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| Molecular Mass | 251.1521 |
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| SMILES | CC(=O)c1ccc(OCC(O)CNC(C)C)cc1 |
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| InChI Key | LXTVJPGACWPWOL-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 | acetophenonesalkyl aryl ethersaryl alkyl ketonesbenzoyl derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl etherorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneamine |
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