| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:19 UTC |
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| Update Date | 2025-03-21 18:29:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079766 |
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| Frequency | 36.5 |
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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)(CC(=O)O)C(=O)O |
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| InChI Key | HAFRGRDWMYKBKL-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta-hydroxy aldehydesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydehydroxy fatty acid1,2-diolalcoholaldehydebranched fatty acidtertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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