| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:36 UTC |
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| Update Date | 2025-03-21 18:40:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128515 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C15H22N2O2 |
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| Molecular Mass | 262.1681 |
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| SMILES | CC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)C |
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| InChI Key | JKLDXKHGYPGRFM-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 | valine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalpha-amino acid amidevaline or derivativescarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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