DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:48 UTC
Update Date	2025-03-21 18:06:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064066
Frequency	48.0
Structure
Chemical Formula	C₈H₁₂O₆
Molecular Mass	204.0634
SMILES	CC(=O)CC(O)(CC(=O)O)CC(=O)O
InChI Key	JEGSJRXGGPUHHC-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 branched fatty acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic oxides tertiary alcohols
Substituents	alcohol fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid ketone tertiary alcohol organic oxide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound

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