| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H21N3O7 |
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| Molecular Mass | 415.138 |
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| SMILES | NC(Cc1ccc(Nc2ccc(C(=O)NC(CC(=O)O)C(=O)O)cc2)cc1)C(=O)O |
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| InChI Key | HTNDTIVQMRKAKM-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 acidsamino acidsamphetamines and derivativesaspartic acid and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary aminessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidbenzoyltricarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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