| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:11 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O8 |
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| Molecular Mass | 340.0907 |
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| SMILES | O=C(O)CCC(NC(=O)c1cc(O)ccc1NCC(=O)O)C(=O)O |
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| InChI Key | ZCQFTMRTWQADRQ-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesvinylogous amiden-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundphenylalkylaminephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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