| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:15 UTC |
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| Update Date | 2025-03-21 18:04:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053332 |
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| Frequency | 60.7 |
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| Structure | |
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| Chemical Formula | C12H22O2 |
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| Molecular Mass | 198.162 |
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| SMILES | CC(CCCC1(C)CCCC1)C(=O)O |
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| InChI Key | FMVYAKWTJXKYTI-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 derivativesmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbocyclic fatty acidcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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