| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:07 UTC |
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| Update Date | 2025-03-21 18:40:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129717 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C14H19NO3 |
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| Molecular Mass | 249.1365 |
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| SMILES | Cc1ccccc1C(=O)NC(CC(C)C)C(=O)O |
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| InChI Key | CEWWDXIXQSJKBJ-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amideso-toluamides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltoluamidebenzamideorganic oxideo-toluamideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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