Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:56 UTC |
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Update Date | 2025-03-21 18:35:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105292 |
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Frequency | 25.7 |
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Structure | |
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Chemical Formula | C6H8O7 |
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Molecular Mass | 192.027 |
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SMILES | O=C(O)C(=O)C(O)C(=O)C(O)CO |
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InChI Key | JCUXIHTZRUNLMK-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 | acyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativesbeta-diketonesbeta-hydroxy ketonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-keto acidhydroxy fatty acidprimary alcoholalcoholhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compound1,3-diketoneorganooxygen compoundmedium-chain keto acid |
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