| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:17 UTC |
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| Update Date | 2025-03-21 17:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006804 |
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| Frequency | 753.5 |
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| Structure | |
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| Chemical Formula | C15H21NO4 |
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| Molecular Mass | 279.1471 |
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| SMILES | CC(C)CC(NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | ZARUZNUDIFOXFQ-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 acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesleucine and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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