| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:07 UTC |
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| Update Date | 2025-03-21 18:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043611 |
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| Frequency | 77.9 |
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| Structure | |
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| Chemical Formula | C19H19NO6 |
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| Molecular Mass | 357.1212 |
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| SMILES | O=C(Cc1ccccc1)OC(NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | OJUBQKRBHSNDOL-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 acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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