| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:12 UTC |
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| Update Date | 2025-03-21 18:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129899 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CC(C(=O)O)N(C)C(Cc1ccccc1)C(=O)O |
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| InChI Key | VLFCFXUBPUGZFW-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 | alanine and derivativesalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineamphetamine or derivativestertiary aliphatic aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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