| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:03 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O9 |
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| Molecular Mass | 384.1169 |
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| SMILES | NC(CCC(=O)NC(OC(=O)CCc1ccc(O)c(O)c1)C(=O)O)C(=O)O |
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| InChI Key | OCSQPAVVDRZGOR-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesfatty amide1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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