| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:45 UTC |
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| Update Date | 2025-03-25 00:48:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20O5 |
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| Molecular Mass | 244.1311 |
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| SMILES | COC(=O)C1CC(O)(C(=O)O)C(C)C(C)C1C |
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| InChI Key | YKEPLDYATPRBJZ-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 acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidemethyl estercarboxylic acid esteraliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
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