| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237898 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O7 |
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| Molecular Mass | 260.0645 |
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| SMILES | O=C(O)CN=C(O)C=CNC(CC(=O)O)C(=O)O |
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| InChI Key | FQJZKFNSBOYILJ-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 acidsamino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarboximidic acidcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganic 1,3-dipolar compoundsecondary aminepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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