DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:54 UTC
Update Date	2025-03-21 18:05:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057162
Frequency	55.5
Structure
Chemical Formula	C₁₄H₂₆O₃
Molecular Mass	242.1882
SMILES	CC(CCCC1(C)CCCC(C)(C)O1)C(=O)O
InChI Key	PCSUQNCPENVVTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids dialkyl ethers heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides oxacyclic compounds oxanes
Substituents	fatty acyl carbonyl group ether carboxylic acid methyl-branched fatty acid heterocyclic fatty acid fatty acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid dialkyl ether oxacycle organic oxide monocarboxylic acid or derivatives organic oxygen compound aliphatic heteromonocyclic compound hydrocarbon derivative medium-chain fatty acid oxane organoheterocyclic compound organooxygen compound

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