| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:34 UTC |
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| Update Date | 2025-03-21 18:37:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116585 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C14H17NO5 |
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| Molecular Mass | 279.1107 |
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| SMILES | CC(C(=O)NC(CCC(=O)O)C(=O)O)c1ccccc1 |
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| InChI Key | RSQGEWOWOXFXDP-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 derivativesn-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 derivativebenzenoidorganic nitrogen compoundphenylacetamideorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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