DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:10 UTC
Update Date	2025-03-25 00:50:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181196
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄O₆
Molecular Mass	206.079
SMILES	O=C(O)CC(O)CCC(=O)C(O)CO
InChI Key	ULBWQONCFJXQIM-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	acyloins alpha-hydroxy ketones beta hydroxy acids and derivatives beta-hydroxy ketones carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives monosaccharides organic oxides primary alcohols secondary alcohols
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid monosaccharide fatty acid alpha-hydroxy ketone carboxylic acid derivative medium-chain hydroxy acid ketone beta-hydroxy acid saccharide organic oxide medium-chain fatty acid hydroxy fatty acid primary alcohol alcohol monocarboxylic acid or derivatives organic oxygen compound acyloin secondary alcohol hydrocarbon derivative organooxygen compound

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