| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:11 UTC |
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| Update Date | 2025-03-25 00:49:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172004 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O6 |
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| Molecular Mass | 323.1117 |
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| SMILES | CNCC(=O)Nc1ccc(C(=O)NC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | CBCRRNQPAXLOQV-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acylaminobenzoic acid and derivativesalpha amino acid amidesalpha amino acidsamino acidsanilidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyln-arylamidebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic amineacylaminobenzoic acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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