DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:22 UTC
Update Date	2025-03-25 01:02:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254737
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈O₅
Molecular Mass	230.1154
SMILES	CC1(CCCC(=O)O)CCC(C)(C(=O)O)O1
InChI Key	AQUKYTUCHUQSPX-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 dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids methyl-branched fatty acids 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 organic oxygen compound aliphatic heteromonocyclic compound dicarboxylic acid or derivatives hydrocarbon derivative medium-chain fatty acid organoheterocyclic compound organooxygen compound

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