| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:54 UTC |
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| Update Date | 2025-03-21 18:04:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050268 |
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| Frequency | 65.4 |
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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)NCC(=O)OCC(C)C |
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| InChI Key | GQZIFEKKGJEEOB-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amideso-toluamides |
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| Substituents | monocyclic benzene moietycarbonyl groupbenzoyltoluamidebenzamideorganic oxideo-toluamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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