| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:54 UTC |
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| Update Date | 2025-03-21 18:41:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136118 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | O=CC1(C(=O)O)CCC(O)C(O)C1 |
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| InChI Key | PQRQASNVFQOZCF-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-diolsaldehydescarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidcyclohexanolaldehydecyclic alcoholcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
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