| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:49 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO8 |
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| Molecular Mass | 289.0798 |
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| SMILES | CC(=O)OC(CC(=C=O)NCC(=O)O)C(O)C(O)C=O |
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| InChI Key | MYNIYLHIJRBRLB-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 | 1,2-diolsalpha-hydroxyaldehydesamino acidsbeta-hydroxy aldehydescarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholsynolates |
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| Substituents | aliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidamino acidmonosaccharidesaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-diolalcoholsecondary aliphatic aminealdehydesecondary amineorganic oxygen compoundynolatecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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