| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:22 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O7 |
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| Molecular Mass | 234.074 |
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| SMILES | COC1(C(=O)O)CCC(O)(C(=O)O)C(O)C1 |
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| InChI Key | JUGJSRCJSLWCDB-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativesdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidalpha-hydroxy acidcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativedialkyl etherbeta-hydroxy acidtertiary alcoholorganic oxidealiphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative1,2-diol |
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