| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:10 UTC |
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| Update Date | 2025-03-21 18:32:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091188 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C7H10O8 |
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| Molecular Mass | 222.0376 |
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| SMILES | O=CC(O)C(O)C(O)C(=O)C(O)C(=O)O |
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| InChI Key | TWKPYJWNFXBXBN-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 aldehydesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidealpha-hydroxyaldehydehydroxy fatty acidalcoholaldehydehydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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