| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:38 UTC |
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| Update Date | 2025-03-21 18:40:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128580 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C22H23N3O8 |
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| Molecular Mass | 457.1485 |
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| SMILES | NC(CC(=O)c1ccc(Nc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)cc1)C(=O)O |
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| InChI Key | NXWQVYQCZNRUPH-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary aminessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidbenzoyltricarboxylic acid or derivativesbenzamideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaminearyl ketone |
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