DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:39 UTC
Update Date	2025-03-25 01:02:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253118
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈O₁₆S
Molecular Mass	450.0316
SMILES	O=C(O)C(=O)C(O)C(OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O)C(O)CO
InChI Key	LSTOIWKQDOZAAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acyloins alkyl glycosides alkyl sulfates alpha-hydroxy ketones alpha-keto acids and derivatives beta hydroxy acids and derivatives carboxylic acids dicarboxylic acids and derivatives fatty acyls glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain keto acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols sulfated fatty acids sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide sulfuric acid monoester carbonyl group carboxylic acid glucuronic acid or derivatives heterocyclic fatty acid o-glucuronide monosaccharide alpha-hydroxy ketone carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound alpha-keto acid hydroxy fatty acid oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives hydroxy acid oxacycle organic oxygen compound sulfated fatty acid pyran keto acid acyloin secondary alcohol dicarboxylic acid or derivatives sulfate-ester hydrocarbon derivative sulfuric acid ester organooxygen compound alkyl glycoside medium-chain keto acid

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