| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:45 UTC |
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| Update Date | 2025-03-21 17:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005589 |
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| Frequency | 951.1 |
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| Structure | |
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| Chemical Formula | C14H19NO4 |
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| Molecular Mass | 265.1314 |
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| SMILES | CC(C)C(NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | CXSVRCJLEDFMGY-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 derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsvaline and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminevaline or derivativessecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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