| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:01 UTC |
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| Update Date | 2025-03-21 18:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036195 |
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| Frequency | 97.9 |
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| Structure | |
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| Chemical Formula | C15H21N3O5 |
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| Molecular Mass | 323.1481 |
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| SMILES | NC(CCCNC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | UBOUCBHLXIPTBO-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 acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acid3-phenylpropanoic-acidn-carbamoyl-alpha-amino acidaromatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundn-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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