Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:47:58 UTC |
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Update Date | 2025-03-21 18:01:35 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00033653 |
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Frequency | 107.6 |
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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)CC(=O)C(O)C(O)C(=O)O |
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InChI Key | IBVYAKUFZBVROD-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-diolsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcohols |
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Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonebeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acid1,2-diolalcoholhydroxy acidgamma-keto acidorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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