DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:49 UTC
Update Date	2025-03-25 00:55:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02212520
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₂O₈
Molecular Mass	434.288
SMILES	CCCCCCCCCCCCCCCC(=O)OC(C(O)CO)C(O)C(O)C(=O)O
InChI Key	ZFVLJEKSLOBAGM-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	alpha hydroxy acids and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monosaccharides organic oxides primary alcohols secondary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid alpha-hydroxy acid monosaccharide carboxylic acid derivative medium-chain hydroxy acid fatty acid ester beta-hydroxy acid saccharide organic oxide organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid primary alcohol organooxygen compound

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