| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:42 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186952 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O5 |
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| Molecular Mass | 294.1216 |
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| SMILES | NCc1ccccc1CC(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | SHJVETQEJNFKRZ-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 | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acyl-alpha-amino acidglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenylacetamideorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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