| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:18 UTC |
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| Update Date | 2025-03-25 00:51:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188326 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O7 |
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| Molecular Mass | 208.0583 |
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| SMILES | CC(O)(C=O)C(O)C(O)C(O)C(=O)O |
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| InChI Key | CSLQSQOZPMQKNX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta hydroxy acids and derivativesbeta-hydroxy aldehydesbranched fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidglucuronic acid or derivativesalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidealpha-hydroxyaldehydemedium-chain fatty acidhydroxy fatty acidalcoholaldehydehydroxy acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivative |
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