| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:41 UTC |
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| Update Date | 2025-03-21 18:02:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040133 |
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| Frequency | 86.3 |
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| Structure | |
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| Chemical Formula | C13H18N2O3 |
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| Molecular Mass | 250.1317 |
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| SMILES | COc1ccc(NC=O)c(C(=O)CCN(C)C)c1 |
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| InChI Key | SVDYQEPLPVXTJD-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 | alkyl aryl ethersamino acids and derivativesanilidesanisolesaryl alkyl ketonesbenzoyl derivativesbeta-amino ketonescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketoneamino acid or derivativesbenzoyln-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbeta-aminoketonetertiary aminevinylogous amidetertiary aliphatic aminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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