| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:04 UTC |
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| Update Date | 2025-03-21 18:06:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062364 |
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| Frequency | 49.7 |
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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=CC(O)C(=O)C(O)C(O)C(=O)O |
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| InChI Key | SFORNVKOZQNZEJ-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 | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-hydroxyaldehydesbeta hydroxy acids and derivativesbeta ketoaldehydesbeta-hydroxy ketonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidbeta-ketoaldehydealpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydehydroxy fatty acidalcoholaldehydehydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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