| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:42 UTC |
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| Update Date | 2025-03-21 17:58:49 UTC |
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| HMDB ID | HMDB0000859 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016910 |
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| Name | Methyl hippurate |
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| Frequency | 262.5 |
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| Structure | |
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| Chemical Formula | C10H11NO3 |
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| Molecular Mass | 193.0739 |
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| SMILES | COC(=O)CNC(=O)c1ccccc1 |
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| InChI Key | XTKVNQKOTKPCKM-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 compoundshippuric acids and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupbenzoylbenzamideorganic oxidemethyl esterorganonitrogen 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 compoundorganooxygen compound |
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