| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6 |
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| Molecular Mass | 296.1008 |
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| SMILES | O=C(NCC(O)C(=O)O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | GXENTTTUFYPTQQ-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 acidsalpha hydroxy acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidesaccharideorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholcarbonic acid derivativen-carbamoyl-alpha-amino acidhydroxy acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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