| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:21 UTC |
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| Update Date | 2025-03-21 18:29:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077410 |
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| Frequency | 37.9 |
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| Structure | |
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| Chemical Formula | C14H17N3O6 |
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| Molecular Mass | 323.1117 |
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| SMILES | N=C(NC(CC(=O)O)C(=O)O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | COKXHPMYYHAZER-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 derivativesaspartic acid and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineiminetricarboxylic acid or derivativescarboximidamidearomatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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