| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:04 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158142 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O7 |
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| Molecular Mass | 310.0801 |
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| SMILES | O=C(O)CNC(=O)C(NC(=O)Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | ACGCEZJQERMRLR-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidscarboxylic acidsdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidealpha-amino acid amidecarboxamide groupn-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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