| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:52 UTC |
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| Update Date | 2025-03-21 18:37:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114878 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C15H18N2O7 |
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| Molecular Mass | 338.1114 |
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| SMILES | NC(=O)CCC(NC(OC(=O)Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | YKVUEQCAYBBVRF-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesfatty amideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesamino acidfatty amidetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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