| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:37 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070799 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C11H16N2O2 |
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| Molecular Mass | 208.1212 |
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| SMILES | CC(C)C(N)C(=O)Nc1ccc(O)cc1 |
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| InChI Key | GRRADSLMCXAWNZ-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidevaline or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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