| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:10 UTC |
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| Update Date | 2025-03-21 18:04:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053147 |
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| Frequency | 61.0 |
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| Structure | |
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| Chemical Formula | C17H15NO5 |
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| Molecular Mass | 313.095 |
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| SMILES | O=C(O)c1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | WMYRYTHPUNNJQO-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsamphetamines and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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