| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:26 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO6 |
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| Molecular Mass | 191.043 |
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| SMILES | NC(C(=O)C(=O)O)C(O)C(O)C=O |
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| InChI Key | JVADTRUKJMNBGC-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha-hydroxy ketonesalpha-hydroxyaldehydesalpha-keto acids and derivativesamino fatty acidsbeta-hydroxy aldehydesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholaldehydeamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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