DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:31 UTC
Update Date	2025-03-25 00:52:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191029
Frequency	0.5
Structure
Chemical Formula	C₈H₁₂O₆
Molecular Mass	204.0634
SMILES	C=CC(O)(C(=O)O)C(O)CCC(=O)O
InChI Key	LYTSGSWURXUQKF-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	1,2-diols alpha hydroxy acids and derivatives beta hydroxy acids and derivatives branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monosaccharides organic oxides secondary alcohols tertiary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid alpha-hydroxy acid monosaccharide carboxylic acid derivative branched fatty acid medium-chain hydroxy acid beta-hydroxy acid tertiary alcohol saccharide organic oxide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound 1,2-diol

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