| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:15 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O |
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| Molecular Mass | 234.1732 |
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| SMILES | CCNCC(=O)Nc1ccc(C(C)C)cc1C |
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| InChI Key | BBQRBKPIIQAWSC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativescumenesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenylpropanessecondary carboxylic acid amidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupn-arylamidephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenesecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundamine |
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