| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:11 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149222 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | Cc1ccc(C(=O)NCC(=O)O)c(C(C)C)c1 |
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| InChI Key | JVFRHJUBAIBBSZ-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 acidsbenzoyl derivativescarbonyl compoundscarboxylic acidscumeneshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanessecondary carboxylic acid amidesp-toluamides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltoluamidebenzamidephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinep-toluamidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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