| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:10 UTC |
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| Update Date | 2025-03-25 00:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231363 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22O3 |
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| Molecular Mass | 214.1569 |
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| SMILES | CC1CCC(CCC(C)(O)CC(=O)O)C1 |
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| InChI Key | XUGJMKSBQGADMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbocyclic fatty acidcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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