DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:08 UTC
Update Date	2025-03-25 00:52:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196889
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈O₄
Molecular Mass	214.1205
SMILES	CCC=CCC(=O)CC(O)CCC(=O)O
InChI Key	MWKIVGYAEFOQIA-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 acyclic compounds
Alternative Parents	beta-hydroxy ketones carboxylic acids fatty alcohols hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides secondary alcohols
Substituents	alcohol fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid carboxylic acid derivative medium-chain hydroxy acid ketone organic oxide monocarboxylic acid or derivatives organic oxygen compound fatty alcohol secondary alcohol hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound

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