| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:00 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO7 |
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| Molecular Mass | 257.0536 |
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| SMILES | O=C=C(C=C(CCC(=O)O)C(=O)O)NCC(=O)O |
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| InChI Key | ITKJQKQGWXAOLO-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivativesynolates |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundynolateorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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