| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:39 UTC |
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| Update Date | 2025-03-21 18:35:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107054 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C15H20N2O6 |
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| Molecular Mass | 324.1321 |
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| SMILES | NC(CCC(=O)NC(C(=O)O)C(O)Cc1ccccc1)C(=O)O |
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| InChI Key | LEFSYSLIFPDWFI-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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