DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:12 UTC
Update Date	2025-03-25 00:51:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190365
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆O₄
Molecular Mass	212.1049
SMILES	CC(=CCC1CCC(=O)O1)CCC(=O)O
InChI Key	PZVJUYZTNFHWDJ-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 acid esters carboxylic acids dicarboxylic acids and derivatives fatty acyls gamma butyrolactones heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids methyl-branched fatty acids organic oxides oxacyclic compounds tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid methyl-branched fatty acid tetrahydrofuran heterocyclic fatty acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid gamma butyrolactone lactone oxacycle organic oxide organic oxygen compound carboxylic acid ester aliphatic heteromonocyclic compound dicarboxylic acid or derivatives hydrocarbon derivative medium-chain fatty acid organoheterocyclic compound organooxygen compound

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