| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:02 UTC |
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| Update Date | 2025-03-21 18:28:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071800 |
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| Frequency | 41.7 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | Nc1ccccc1CC(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | MUANOWUMVNPOIU-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 acidsamino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylacetamidesprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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