| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:01 UTC |
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| Update Date | 2025-03-25 01:01:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO3 |
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| Molecular Mass | 275.1521 |
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| SMILES | CCC(C)C(NC(=O)C=CCc1ccccc1)C(=O)O |
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| InChI Key | DRULYOFOLYNMDM-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 | isoleucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundisoleucine or derivativesorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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