| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:29 UTC |
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| Update Date | 2025-03-21 18:38:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121112 |
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| Frequency | 31.3 |
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| Structure | |
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| Chemical Formula | C8H9NO7 |
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| Molecular Mass | 231.0379 |
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| SMILES | O=C(O)C=CC(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | JJPAHTURZYXUGU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidtricarboxylic acid or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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