| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O7 |
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| Molecular Mass | 324.0958 |
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| SMILES | Nc1ccccc1C(=O)OCC(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | DDJXPJYYNHJFOV-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 acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyltricarboxylic acid or derivativesbenzoate esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesvinylogous amiden-acyl-alpha-amino acidbenzoic acid or derivativesglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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