DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:18 UTC
Update Date	2025-03-21 18:41:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134740
Frequency	18.7
Structure
Chemical Formula	C₁₂H₂₂O₃
Molecular Mass	214.1569
SMILES	CC1CCC(C)(CCCC(C)C(=O)O)O1
InChI Key	FCEXXCQGMZDVGP-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 tetrahydrofurans
Substituents	fatty acyl carbonyl group ether carboxylic acid methyl-branched fatty acid tetrahydrofuran 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 organoheterocyclic compound organooxygen compound

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