| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:00 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069354 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C12H13NO6 |
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| Molecular Mass | 267.0743 |
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| SMILES | NC(Cc1ccc(OC(=O)CC(=O)O)cc1)C(=O)O |
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| InChI Key | BKZGQHNYLLMODS-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 | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundsphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundamphetamine or derivatives |
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