| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:16 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118299 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C9H14O6 |
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| Molecular Mass | 218.079 |
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| SMILES | CC(=O)OC1CC(O)CC(O)(C(=O)O)C1 |
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| InChI Key | LRJXBRNYOYHPEK-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 hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidecarboxylic acid esteraliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
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