| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:10 UTC |
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| Update Date | 2025-03-25 01:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O5 |
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| Molecular Mass | 228.0998 |
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| SMILES | O=C(O)C=CC1CCC(O)(CC(=O)O)CC1 |
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| InChI Key | VCJDIWCWQHRWER-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 | carbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidcyclohexanolcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidealiphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
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