| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:32 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184237 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O7 |
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| Molecular Mass | 353.1223 |
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| SMILES | NC(CCC(=O)NC(CNC(=O)c1ccccc1O)C(=O)O)C(=O)O |
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| InChI Key | DLCMCKAUCHNVGF-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminesalicylamidearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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