| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:09 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22N2O4 |
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| Molecular Mass | 342.158 |
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| SMILES | CC(C)(C(=O)O)c1ccc(Nc2ccc(CC(N)C(=O)O)cc2)cc1 |
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| InChI Key | YLRUYURLSMQTKZ-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 derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylpropanesphenylpropanoic acidssecondary amines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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