DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:20 UTC
Update Date	2025-03-21 17:58:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00016138
Frequency	265.9
Structure
Chemical Formula	C₆H₁₀O₆
Molecular Mass	178.0477
SMILES	CC(=O)C(O)C(O)C(O)C(=O)O
InChI Key	SODOLHQRZICWCO-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 acids and derivatives 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 secondary alcohols
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid alpha-hydroxy 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 alcohol monocarboxylic acid or derivatives organic oxygen compound acyloin secondary alcohol hydrocarbon derivative organooxygen compound

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