| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:40 UTC |
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| Update Date | 2025-03-21 18:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025883 |
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| Frequency | 148.6 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | O=C(O)C(=O)C1CCC(O)CC1 |
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| InChI Key | XGKKPYHTGDDLCU-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 | alpha-keto acids and derivativescarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidcyclohexanolcyclic alcoholcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesketo acidalpha-keto acidaliphatic homomonocyclic compoundhydrocarbon derivative |
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